A0A5K4EQR8_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EQR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,641 aa.

						>A0A5K4EQR8_SCHMA|A0A5K4EQR8
MVVKNMKMYIKCKVCLCIGLFFCICIVNSIVSNELLEIYNLPKFIMEPIDRIYYSSNQSQFIPKFHLYALITPRNATIQLGAIHKDKPNMIIYIPTVHEYSTELYSMTFAQTHAKIQSLTIHENLAHLNYLISYISNINNNINIKENINLWLISVYNFLPDMKLLILATTNYGTVSSHLIDLKTSVLPAFPPHSDKYLSLLIGNTAVVICHLPLSQPSLPTVHFYHNNIKLDLTQTDRYRLIYIGGDDSGLPWEIYSQKPHFRQENFKKHKPGAVILLIHSLQLSDTGQYYCSVSLFDKTISSNQRTHLVVTKPNEKIWTHLKFSLDDPDLSYLYNNNNNNGNNNNNENSLNRIKEIKINENTNLTLFCIFESAPVVSTRWYYKDEFMENIEINQKFGVLIIKYARPENEGIYTCSVDNSHSKLIGKSFRIIVIRAPTTNLLNPKLITTEIGKQVTLNCNNNNNNNVINMNQIPFPKLPTPDEWNKWDYNKRINHSKYYIEKQYKKKKLNYSPYINQWIHNGQFITMNDDNNNYHFEDGLLKILKIEQSHTGIYQYMKSNQYTNSMDDNTNENEYDEESVNCKFYIQLNDEKFVHNETDQQLKTIFEHTSEGLTGHLNCNLSSLLLTESYQNTNQVNNQYQWSILWYRSVTSNEPLNIESVNKASGGIKYIISNVNEYTQILSIVNPRKITDDGQYICRVYNTTTGKLLGEQRFQLIIESINNDENIHKNFIKHETFLTKSSLSSISSEIPNKYELPSKRNEQNLVLKQTEKPQIKVSRPIVKRLANFTMAVHIKWTVYHSPIKELHYQLGIKHLGNIRQTKSIITFSNEYIHSRNKSNGEEFSILPNIYDNSSIIFDSRDLFQPQNSYSLRVLVLEHQLWSPWTEPVNFDNMLDTNLQIISIVTSNQTCLYIEWIYIQSRNHSFTTMNITDFNDLTFNIIYRNLSENLNERKSLLELWTEFIFNNEKQFSMDLSQMNQLGDLYIRRINGDHTLKGYLLDGLQPNVTYAVSVYIEVTKIYHYQSQKYFTRLSNEVVQKTLPKLISLSINENQFFVKNSTNENINQLMMVDSFVQSTSNMKSKMTGQVGNNKNDLTSKLTKNYQHDSYVLIVILGSLAGVLLIIFIVLITFCIWYRLHLKSQYPRGYFGGLNDSQLTETPKQRTITEWENFQTQPITTTDNHQTFPRTADINNFATLQHPTQWIQQSQIPCERKCRNSMVLDETLKTYWPIINSNDAKVTFMKNHNHGNIKHGSPLLPIYKDYLLKQAKHQSINGTLSDGQGENQFGSLDGIFQDITVGEQFNGANKLSNKDIQLTNDQSSSIYSHIDSDSTVNELSQFHLNRFNSTLSPTTLSDYSGIGKNILNSLQNNNNNNMNNRKEILRDLSQPTSLSYVANSIYPFMIKPDDLVSLPLIGNQDPIQYSIQSGLITSDTNSFYTTVPPLRHLQYPFNGNLPMNSLDQNALNQLKMSVNHQYNDETIIQQSDLIKNLQLFNRNQGFYGSNPLNYISTPLSTYADSLTATLTLQQWIEHMSKPELTKNIDIKLSKEGYKKIDSRSNLKQYDLQLNKTEQQNICNENKRHHKSPRENLSSSFADSGVDLPNTSNLESDIIEHNLNKNDSPIEIRTRISNIIRPIERVSSGP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.4	Very low	21.3	Very low	237 Å²	237	172 Å²	172	100%	1.167	84%	0.835	S	S	*	*				0	128.3	0	-170	167.3	177.3	0	0	107.2
2	V	24	Very low	21.2	Very low	134 Å²	134	169 Å²	169	81%	0.812	84%	0.842	S	S	*	*			trans	51.1	113.1	-178.3	-171.1	0	0	0	0	117.6
3	V	23	Very low	21.1	Very low	136 Å²	136	170.7 Å²	170.7	82%	0.824	84%	0.841	S	S	*	*			trans	-123.6	131.7	158.9	170.3	0	0	0	0	107.1
4	K	23.1	Very low	21	Very low	191 Å²	191	167.6 Å²	167.6	83%	0.83	84%	0.836	S	S	*	*			trans	-165.9	116	159.2	-115.9	165.8	-173.8	178.7	0	115
5	N	21.7	Very low	21	Very low	142 Å²	142	165.2 Å²	165.2	76%	0.759	84%	0.84	S	S	*	*			trans	13.5	136.2	143.6	-54	-18.9	0	0	0	120.6
6	M	21	Very low	21	Very low	186 Å²	186	163.9 Å²	163.9	92%	0.916	84%	0.835	S	S	*	*				-132.9	138.9	123.5	-158.4	166.5	-175.8	0	0	109.7
7	K	18.8	Very low	21.1	Very low	175 Å²	175	160.4 Å²	160.4	76%	0.761	83%	0.827	S	S	*	*			trans	-122.4	145.8	172.8	-78	-176.7	175.3	-179.5	0	107.7
8	M	19.6	Very low	21.3	Very low	159 Å²	159	160.1 Å²	160.1	78%	0.783	83%	0.825	S	S	*	*			trans	-134.7	145.9	164.2	-165.6	151.2	170.1	0	0	110.3
9	Y	18.5	Very low	21.5	Very low	203 Å²	203	154.3 Å²	154.3	80%	0.796	81%	0.809	S	S	*	*			trans	-123.7	132.7	-176.1	-101.8	-85.9	0	0	0	108.3
10	I	21.7	Very low	22	Very low	133 Å²	133	150.7 Å²	150.7	68%	0.682	79%	0.79	S	S	*	*			trans	-130.8	139.1	163.2	-61.9	-177.3	0	0	0	108.4
11	K	18.3	Very low	22.4	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	77%	0.774	S	S	*	*			trans	-108.4	140.1	175.8	-69.5	176.4	176.2	175.3	0	109.6
12	C	20.1	Very low	22.7	Very low	136 Å²	136	141.4 Å²	141.4	92%	0.919	74%	0.737	S	S	*	*			trans	-146.7	173.4	150.3	-148.4	0	0	0	0	111.4
13	K	19.9	Very low	22.9	Very low	191 Å²	191	138.1 Å²	138.1	83%	0.83	72%	0.719	S	S	*	*			trans	-104.5	134	-159.5	-74.9	179.5	175.3	177.2	0	115.2
14	V	19.8	Very low	23.5	Very low	128 Å²	128	133.6 Å²	133.6	78%	0.776	69%	0.69	S	S	*	*				38.6	115.4	128.6	-172.8	0	0	0	0	118.9	L16	V14-L16 HydrophobicContact CG1-CD1 4.44Å
15	C	21.3	Very low	23.8	Very low	131 Å²	131	125.2 Å²	125.2	89%	0.885	66%	0.655	S	S	*	*				-148	164.2	126.6	-149	0	0	0	0	110.6
16	L	21.3	Very low	24.3	Very low	145 Å²	145	119.9 Å²	119.9	76%	0.759	63%	0.627	S	S	*	*			trans	-103.4	146.4	-171.2	-97.1	66.4	0	0	0	112.9	V14	V14-L16 HydrophobicContact CG1-CD1 4.44Å
17	C	23.1	Very low	24.9	Very low	104 Å²	104	112.2 Å²	112.2	70%	0.703	59%	0.59	S	S	*	*				161.5	112.6	117.2	-90.3	0	0	0	0	115.2
18	I	24.1	Very low	25.7	Very low	154 Å²	154	105.5 Å²	105.5	79%	0.79	56%	0.563	S	S	*	*			trans	42	116.2	136.7	-49.7	173.6	0	0	0	119.6	N443	I18-N443 PolarHBondContact O-ND2 2.92Å
19	G	24.8	Very low	26.1	Very low	51 Å²	51	101.2 Å²	101.2	53%	0.526	55%	0.548	S	S	.	.			trans	89.8	93.7	141.2	0	0	0	0	0	118.1
20	L	32.3	Very low	26.6	Very low	81 Å²	81	95.8 Å²	95.8	42%	0.424	53%	0.532	S	S	.	.			trans	-131.8	132.4	175.6	-80.4	164.4	0	0	0	112.6	F22 L442 N443	L20-F22 HydrophobicContact CB-CD2 4.25Å; L20-F22 HydrophobicContact CB-CE2 3.88Å; L20-F22 HydrophobicContact CD1-CE2 3.98Å; L20-F22 HydrophobicContact CD1-CZ 4.36Å; L20-F22 HydrophobicContact CD2-CE2 4.47Å; L20-F22 HydrophobicContact CG-CE2 4.34Å; L20-L442 HydrophobicContact CD2-CB 4.03Å; L20-N443 WeakPolarHBondContact CD2-OD1 3.33Å
21	F	29.2	Very low	26.8	Very low	105 Å²	105	95.3 Å²	95.3	46%	0.461	54%	0.535	S	S	.	.			trans	-97	136.5	163.5	-84.8	-119.8	0	0	0	108.6	T72 P73 T170	F21-T72 WeakPolarHBondContact CD1-O 3.45Å; F21-T72 WeakPolarHBondContact CE1-O 3.32Å; F21-P73 VanDerWaalsContact CE1-CD 3.41Å; F21-T170 HydrophobicContact CE1-CG2 4.24Å
22	F	31.8	Very low	27.2	Very low	88 Å²	88	90.8 Å²	90.8	39%	0.386	53%	0.528	S	S	.	.			trans	-126.5	135.9	171.9	-81.2	-81.2	0	0	0	111.4	L20 T72	L20-F22 HydrophobicContact CB-CD2 4.25Å; L20-F22 HydrophobicContact CB-CE2 3.88Å; L20-F22 HydrophobicContact CD1-CE2 3.98Å; L20-F22 HydrophobicContact CD1-CZ 4.36Å; L20-F22 HydrophobicContact CD2-CE2 4.47Å; L20-F22 HydrophobicContact CG-CE2 4.34Å; F22-T72 PolarHBondContact N-OG1 3.3Å
23	C	28.6	Very low	27.4	Very low	66 Å²	66	91.4 Å²	91.4	45%	0.446	52%	0.522	S	S	.	.			trans	-117.9	124.8	161.9	-65.1	0	0	0	0	108.9	L70	C23-L70 WeakPolarHBondContact CA-O 3.03Å
24	I	33.9	Very low	27.6	Very low	41 Å²	41	91.2 Å²	91.2	21%	0.21	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132	177.6	-62.8	173.2	0	0	0	106.5	A69 L70 L131	I24-A69 CarbonylContact O-C 3.42Å; I24-A69 VanDerWaalsContact O-CA 3.23Å; I24-A69 WeakPolarHBondContact O-CA 3.33Å; I24-L70 HydrophobicContact CB-CD1 4.19Å; I24-L70 PolarHBondContact O-N 3.25Å; I24-L131 HydrophobicContact CD1-CD2 3.98Å; I24-L131 HydrophobicContact CG2-CD2 4.21Å
25	C	30	Very low	27.8	Very low	14 Å²	14	92.9 Å²	92.9	10%	0.095	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.5	-173.7	-60.9	0	0	0	0	112	L67 Y68 I166	C25-L67 HydrophobicContact CB-CD2 3.73Å; C25-Y68 VanDerWaalsContact CA-O 3.27Å; C25-Y68 WeakPolarHBondContact CA-O 3.3Å; C25-I166 HydrophobicContact CB-CD1 4.3Å; C25-I166 WeakPolarHBondContact SG-CD1 3.21Å
26	I	32.6	Very low	27.9	Very low	31 Å²	31	94.7 Å²	94.7	16%	0.159	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143	-173.8	-34.1	167.4	0	0	0	110.5	L67 Y68 L131	I26-L67 CarbonylContact O-C 3.53Å; I26-L67 VanDerWaalsContact O-C 3.23Å; I26-L67 WeakPolarHBondContact O-CA 3.35Å; I26-Y68 HydrophobicContact CB-CD2 4.23Å; I26-Y68 PolarHBondContact N-O 2.73Å; I26-Y68 PolarHBondContact O-N 2.75Å; I26-L131 HydrophobicContact CD1-CD1 3.67Å
27	V	33.4	Very low	28	Very low	25 Å²	25	96.9 Å²	96.9	15%	0.152	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.5	-171.2	-173.6	0	0	0	0	116.3	I49 I52 F65 H66 L67	V27-I49 HydrophobicContact CG2-CD1 4.39Å; V27-I52 HydrophobicContact CG1-CD1 4.49Å; V27-I52 HydrophobicContact CG1-CG2 4.12Å; V27-I52 HydrophobicContact CG2-CD1 3.8Å; V27-I52 HydrophobicContact CG2-CG1 3.86Å; V27-F65 HydrophobicContact CG1-CB 3.72Å; V27-F65 HydrophobicContact CG1-CD2 3.86Å; V27-F65 HydrophobicContact CG1-CG 4.19Å; V27-H66 VanDerWaalsContact CA-O 3.25Å; V27-H66 WeakPolarHBondContact CA-O 3.19Å; V27-L67 HydrophobicContact CG2-CD2 3.37Å; V27-L67 HydrophobicContact CG2-CG 3.72Å
28	N	34.6	Very low	28	Very low	34 Å²	34	98.9 Å²	98.9	18%	0.182	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.4	165.6	-59.5	-7.8	0	0	0	112	F44 F65 H66	N28-F44 HydrophobicContact CB-CE2 4.39Å; N28-F44 HydrophobicContact CB-CZ 4.42Å; N28-F44 VanDerWaalsContact OD1-CD2 3.31Å; N28-F44 WeakPolarHBondContact OD1-CD2 3.47Å; N28-F44 WeakPolarHBondContact OD1-CG 3.21Å; N28-F65 CarbonylContact O-C 3.6Å; N28-F65 VanDerWaalsContact O-CA 3.28Å; N28-F65 WeakPolarHBondContact O-CA 3.2Å; N28-H66 HydrophobicContact CB-CB 4.08Å; N28-H66 PolarHBondContact N-O 2.95Å; N28-H66 VanDerWaalsContact N-O 3.08Å; N28-H66 VanDerWaalsContact O-CB 3.29Å; N28-H66 WeakPolarHBondContact O-CB 3.49Å; N28-H66 PolarHBondContact O-N 3.37Å
29	S	29.3	Very low	27.9	Very low	69 Å²	69	101.3 Å²	101.3	48%	0.483	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	157.7	168.8	-175.5	0	0	0	0	110.8	K64	S29-K64 PolarHBondContact OG-O 2.84Å; S29-K64 VanDerWaalsContact OG-O 3.11Å
30	I	28.4	Very low	27.9	Very low	89 Å²	89	106.3 Å²	106.3	46%	0.456	55%	0.552	S	S	.	*			trans	-101.4	131.1	179.9	-71.3	-167	0	0	0	111.8	K64	I30-K64 HydrophobicContact CB-CD 4.45Å; I30-K64 HydrophobicContact CD1-CD 3.69Å; I30-K64 HydrophobicContact CG1-CD 4.03Å
31	V	25.5	Very low	27.4	Very low	122 Å²	122	110.5 Å²	110.5	74%	0.739	57%	0.574	S	S	*	*			trans	-117.4	160.4	161.3	180	0	0	0	0	108.2
32	S	26.5	Very low	27.2	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	58%	0.583	S	S	*	*			trans	-60.3	149	-166.9	44.3	0	0	0	0	116.3	E34	S32-E34 PolarHBondContact O-N 3.1Å
33	N	25	Very low	26.8	Very low	150 Å²	150	114.2 Å²	114.2	80%	0.802	60%	0.6	S	S	*	*	S	Bend	trans	-87.8	15.9	-158.6	-124.5	32.3	0	0	0	116.8
34	E	23.6	Very low	26.6	Very low	187 Å²	187	117.6 Å²	117.6	87%	0.874	61%	0.607	S	S	*	*			trans	-109.5	14.1	-166	-69	-170.5	129.8	0	0	116	S32	S32-E34 PolarHBondContact O-N 3.1Å
35	L	24.7	Very low	26.2	Very low	163 Å²	163	117.1 Å²	117.1	85%	0.853	61%	0.605	S	S	*	*			trans	-125.6	49.4	-176.3	-81	168.4	0	0	0	113.9
36	L	24	Very low	26	Very low	168 Å²	168	118 Å²	118	88%	0.88	61%	0.608	S	S	*	*			trans	-98.7	14.9	-169.7	-145.8	83.1	0	0	0	117
37	E	23.7	Very low	25.7	Very low	191 Å²	191	119.1 Å²	119.1	89%	0.893	61%	0.612	S	S	*	*	S	Bend	trans	-122.9	-4.3	-177.9	-75.2	-158.9	137.8	0	0	116.7
38	I	22.1	Very low	25.8	Very low	147 Å²	147	120.9 Å²	120.9	75%	0.754	63%	0.625	S	S	*	*	S	Bend	trans	-123.2	91.7	-172.9	-57.6	-174.2	0	0	0	112.2
39	Y	22.6	Very low	26.4	Very low	205 Å²	205	120.7 Å²	120.7	80%	0.804	62%	0.623	S	S	*	*			trans	57.6	122.3	158.3	-68.5	-97.9	0	0	0	120.9
40	N	24.3	Very low	27.5	Very low	155 Å²	155	118.8 Å²	118.8	83%	0.829	61%	0.608	S	S	*	*			trans	32.4	96.5	144.7	-66.3	-12.3	0	0	0	119.5
41	L	21.9	Very low	28.8	Very low	169 Å²	169	117.9 Å²	117.9	89%	0.885	60%	0.598	S	S	*	*			trans	-132.8	144.7	151.3	-90.8	155.1	0	0	0	109.9
42	P	23.8	Very low	30.4	Very low	102 Å²	102	112.7 Å²	112.7	66%	0.662	57%	0.566	S	S	*	*			trans	-89.8	178	-163.1	36	-37	0	0	0	115.1
43	K	24.5	Very low	32.3	Very low	170 Å²	170	110.3 Å²	110.3	74%	0.739	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-81.9	150.3	-174	-61.1	175.1	-179.3	-179.7	0	112.4
44	F	25.1	Very low	34.3	Very low	137 Å²	137	105.2 Å²	105.2	60%	0.601	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-61.2	159.4	-178.3	-63.6	-85.3	0	0	0	115.1	N28	N28-F44 HydrophobicContact CB-CE2 4.39Å; N28-F44 HydrophobicContact CB-CZ 4.42Å; N28-F44 VanDerWaalsContact OD1-CD2 3.31Å; N28-F44 WeakPolarHBondContact OD1-CD2 3.47Å; N28-F44 WeakPolarHBondContact OD1-CG 3.21Å
45	I	23.7	Very low	36.1	Very low	30 Å²	30	98.3 Å²	98.3	15%	0.154	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-92.1	144.1	-170.8	-65.8	155.1	0	0	0	111.7	E47 W253 Y256	I45-E47 HydrophobicContact CG2-CG 4.31Å; I45-W253 HydrophobicContact CD1-CD2 4.09Å; I45-W253 HydrophobicContact CD1-CG 4.22Å; I45-W253 HydrophobicContact CD1-CZ2 4.1Å; I45-Y256 VanDerWaalsContact CG1-O 3.29Å; I45-Y256 WeakPolarHBondContact CG1-O 3.3Å; I45-Y256 HydrophobicContact CG2-CD1 4.21Å
46	M	26.3	Very low	37.7	Very low	32 Å²	32	93.7 Å²	93.7	16%	0.158	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-96.6	117.6	168.3	-72.4	165.9	46.5	0	0	111	L131 P260	M46-L131 HydrophobicContact CE-CD2 3.58Å; M46-L131 HydrophobicContact CE-CG 3.66Å; M46-L131 HydrophobicContact SD-CD2 4.36Å; M46-L131 HydrophobicContact SD-CG 3.81Å; M46-P260 VanDerWaalsContact O-CA 3.32Å; M46-P260 WeakPolarHBondContact O-CA 3.41Å
47	E	26.5	Very low	39	Very low	55 Å²	55	90.8 Å²	90.8	26%	0.257	45%	0.451	S	S	.	.			trans	-126.6	166.9	159.4	-76.2	-164.2	145.8	0	0	109.3	I45 I49	I45-E47 HydrophobicContact CG2-CG 4.31Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 HydrophobicContact CB-CG1 4.08Å; E47-I49 WeakPolarHBondContact O-CG1 3.3Å; E47-I49 PolarHBondContact O-N 2.96Å
48	P	34.6	Very low	40.3	Very low	63 Å²	63	89.4 Å²	89.4	41%	0.409	45%	0.445	S	S	.	.			trans	-83.5	84.1	167.2	27.3	-13.1	0	0	0	107.2	D50 P260 H261	P48-D50 PolarHBondContact O-N 2.91Å; P48-P260 HydrophobicContact CG-CB 4.26Å; P48-H261 VanDerWaalsContact CD-O 3.23Å; P48-H261 WeakPolarHBondContact CD-O 3.31Å; P48-H261 VanDerWaalsContact CG-O 3.24Å; P48-H261 WeakPolarHBondContact CG-O 3.49Å
49	I	49.2	Very low	41.5	Very low	30 Å²	30	85.7 Å²	85.7	15%	0.154	43%	0.432	C	S	.	.			trans	-71.9	93.8	-160	-56.1	-179	0	0	0	112.6	V27 E47 R51 I52 I180	V27-I49 HydrophobicContact CG2-CD1 4.39Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 HydrophobicContact CB-CG1 4.08Å; E47-I49 WeakPolarHBondContact O-CG1 3.3Å; E47-I49 PolarHBondContact O-N 2.96Å; I49-R51 VanDerWaalsContact C-N 3.3Å; I49-R51 VanDerWaalsContact CG2-C 3.49Å; I49-R51 VanDerWaalsContact CG2-O 3.3Å; I49-R51 WeakPolarHBondContact CG2-O 3.38Å; I49-I52 HydrophobicContact CG2-CG1 3.8Å; I49-I180 HydrophobicContact CG2-CG2 4.35Å
50	D	51.3	Low	43.1	Very low	28 Å²	28	80.6 Å²	80.6	15%	0.15	42%	0.415	C	S	.	.	S	Bend	trans	-82.7	-6.2	159.3	-63.4	-36.5	0	0	0	111.7	P48 H178 I180 D181 R263	P48-D50 PolarHBondContact O-N 2.91Å; D50-H178 WeakPolarHBondContact OD1-CB 3.34Å; D50-H178 IonicContact OD1-CG 3.8Å; D50-I180 WeakPolarHBondContact O-CA 3.27Å; D50-D181 PolarHBondContact O-N 2.83Å; D50-R263 VanDerWaalsContact CG-NH2 3.3Å; D50-R263 IonicContact OD1-NH2 2.77Å; D50-R263 PolarHBondContact OD1-NH2 3.45Å; D50-R263 IonicContact OD2-CZ 2.75Å; D50-R263 IonicContact OD2-NE 2.78Å; D50-R263 PolarHBondContact OD2-NE 2.79Å; D50-R263 IonicContact OD2-NH2 2.76Å; D50-R263 PolarHBondContact OD2-NH2 3.21Å
51	R	54.8	Low	44.6	Very low	70 Å²	70	76 Å²	76	26%	0.264	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	115.7	-177.5	-58.5	-177	177.6	-171.2	3	114.1	I49 Y53 D181 K183 E265	I49-R51 VanDerWaalsContact C-N 3.3Å; I49-R51 VanDerWaalsContact CG2-C 3.49Å; I49-R51 VanDerWaalsContact CG2-O 3.3Å; I49-R51 WeakPolarHBondContact CG2-O 3.38Å; R51-Y53 HydrophobicContact CB-CE2 3.89Å; R51-D181 CarbonylContact C-O 3.6Å; R51-D181 WeakPolarHBondContact CA-O 3.46Å; R51-D181 HydrophobicContact CG-CB 4.27Å; R51-K183 VanDerWaalsContact CZ-NZ 3.31Å; R51-E265 IonicContact CZ-OE1 2.69Å; R51-E265 IonicContact CZ-OE2 2.76Å; R51-E265 IonicContact NE-OE1 2.66Å; R51-E265 PolarHBondContact NE-OE1 3.46Å; R51-E265 IonicContact NE-OE2 2.82Å; R51-E265 IonicContact NH2-OE1 3.18Å; R51-E265 PolarHBondContact NH2-OE1 3.16Å; R51-E265 VanDerWaalsContact NH2-OE1 3.1Å; R51-E265 IonicContact NH2-OE2 2.63Å; R51-E265 PolarHBondContact NH2-OE2 3.08Å
52	I	60.8	Low	46.5	Very low	13 Å²	13	68.2 Å²	68.2	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.7	175.1	-58.5	162.8	0	0	0	110.2	V27 I49 F65 I180 D181 L182 K183	V27-I52 HydrophobicContact CG1-CD1 4.49Å; V27-I52 HydrophobicContact CG1-CG2 4.12Å; V27-I52 HydrophobicContact CG2-CD1 3.8Å; V27-I52 HydrophobicContact CG2-CG1 3.86Å; I49-I52 HydrophobicContact CG2-CG1 3.8Å; I52-F65 HydrophobicContact CD1-CD2 4.16Å; I52-F65 HydrophobicContact CD1-CE2 3.84Å; I52-F65 HydrophobicContact CD1-CZ 4.41Å; I52-I180 HydrophobicContact CD1-CG2 3.59Å; I52-I180 HydrophobicContact CG1-CG2 3.63Å; I52-D181 PolarHBondContact N-O 2.82Å; I52-L182 HydrophobicContact CB-CD2 3.77Å; I52-L182 HydrophobicContact CB-CG 3.97Å; I52-L182 HydrophobicContact CD1-CD2 3.81Å; I52-L182 HydrophobicContact CD1-CG 4.12Å; I52-L182 HydrophobicContact CG1-CD2 4.39Å; I52-L182 HydrophobicContact CG2-CD2 3.83Å; I52-L182 CarbonylContact O-C 3.58Å; I52-L182 WeakPolarHBondContact O-CA 3.47Å; I52-K183 PolarHBondContact O-N 3.31Å
53	Y	64.8	Low	48.1	Very low	52 Å²	52	66.9 Å²	66.9	20%	0.204	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.8	176.2	-68.7	-95	0	0	0	112.5	R51 K183 Q216 P217	R51-Y53 HydrophobicContact CB-CE2 3.89Å; Y53-K183 CarbonylContact C-O 3.46Å; Y53-K183 VanDerWaalsContact CA-O 3.26Å; Y53-K183 WeakPolarHBondContact CA-O 3.5Å; Y53-K183 HydrophobicContact CD1-CB 3.84Å; Y53-K183 HydrophobicContact CE1-CB 3.71Å; Y53-K183 HydrophobicContact CE1-CD 4.36Å; Y53-Q216 HydrophobicContact CE1-CB 4.4Å; Y53-P217 HydrophobicContact CD1-CB 3.8Å; Y53-P217 HydrophobicContact CD1-CG 4.23Å; Y53-P217 HydrophobicContact CD2-CB 3.74Å; Y53-P217 HydrophobicContact CD2-CG 4.3Å; Y53-P217 HydrophobicContact CE1-CB 3.81Å; Y53-P217 HydrophobicContact CE2-CB 3.78Å; Y53-P217 HydrophobicContact CG-CB 3.75Å; Y53-P217 HydrophobicContact CG-CG 4Å
54	Y	67.6	Low	50.2	Low	43 Å²	43	60.5 Å²	60.5	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.7	-178.1	75.4	-84.4	0	0	0	114.3	I62 P160 K183 T184 S185	Y54-I62 HydrophobicContact CD1-CD1 3.59Å; Y54-I62 HydrophobicContact CD1-CG1 4.14Å; Y54-I62 HydrophobicContact CD2-CD1 4.33Å; Y54-I62 HydrophobicContact CD2-CG1 3.96Å; Y54-I62 HydrophobicContact CE1-CD1 3.63Å; Y54-I62 HydrophobicContact CE1-CG1 4.11Å; Y54-I62 HydrophobicContact CE2-CD1 4.35Å; Y54-I62 HydrophobicContact CE2-CG1 3.92Å; Y54-I62 HydrophobicContact CG-CD1 3.97Å; Y54-I62 HydrophobicContact CG-CG1 4.08Å; Y54-P160 HydrophobicContact CE1-CB 4.23Å; Y54-P160 VanDerWaalsContact OH-CB 3.25Å; Y54-P160 WeakPolarHBondContact OH-CB 3.35Å; Y54-K183 WeakPolarHBondContact CD1-O 3.35Å; Y54-K183 PolarHBondContact N-O 2.87Å; Y54-T184 HydrophobicContact CE1-CG2 3.92Å; Y54-T184 HydrophobicContact CE2-CG2 3.92Å; Y54-T184 VanDerWaalsContact CZ-CG2 3.47Å; Y54-T184 CarbonylContact O-C 3.48Å; Y54-T184 WeakPolarHBondContact O-CA 3.49Å; Y54-T184 WeakPolarHBondContact OH-CG2 3.32Å; Y54-S185 PolarHBondContact O-N 3.44Å; Y54-S185 PolarHBondContact O-OG 2.6Å
55	S	62.3	Low	52.3	Low	41 Å²	41	54.1 Å²	54.1	29%	0.287	28%	0.283	S	S	.	.			trans	-73	125.7	177.5	-173.4	0	0	0	0	111.5	N57	S55-N57 VanDerWaalsContact C-N 3.26Å; S55-N57 PolarHBondContact O-N 2.94Å
56	S	58.2	Low	54.4	Low	67 Å²	67	54 Å²	54	47%	0.469	28%	0.282	S	S	.	.			trans	-81.1	59.4	-173.9	-175.6	0	0	0	0	113.2	Q58	S56-Q58 VanDerWaalsContact C-N 3.34Å; S56-Q58 PolarHBondContact O-N 2.7Å; S56-Q58 VanDerWaalsContact O-N 3.09Å
57	N	51.7	Low	56.3	Low	106 Å²	106	52.5 Å²	52.5	57%	0.567	27%	0.274	S	S	*	.			trans	-86	66.3	-178.7	-76.1	-16	0	0	0	113	S55 S59	S55-N57 VanDerWaalsContact C-N 3.26Å; S55-N57 PolarHBondContact O-N 2.94Å; N57-S59 PolarHBondContact O-N 3.07Å
58	Q	49.5	Very low	58.1	Low	162 Å²	162	52.1 Å²	52.1	76%	0.757	27%	0.271	S	S	*	.	S	Bend	trans	58.3	-10.5	167	-60.5	-178.6	10.4	0	0	118.8	S56	S56-Q58 VanDerWaalsContact C-N 3.34Å; S56-Q58 PolarHBondContact O-N 2.7Å; S56-Q58 VanDerWaalsContact O-N 3.09Å
59	S	48.2	Very low	59.5	Low	69 Å²	69	49.2 Å²	49.2	48%	0.483	25%	0.252	S	S	.	.			trans	-78.2	137.5	177.1	61.5	0	0	0	0	112.2	N57 F61	N57-S59 PolarHBondContact O-N 3.07Å; S59-F61 WeakPolarHBondContact CB-O 3.42Å; S59-F61 PolarHBondContact O-N 2.9Å; S59-F61 PolarHBondContact OG-O 3.31Å
60	Q	55.2	Low	60	Low	99 Å²	99	48.4 Å²	48.4	46%	0.463	25%	0.248	S	C	.	.	S	Bend	trans	-75.6	-6.7	177.7	-60.8	-171.4	7.9	0	0	113.8
61	F	56.1	Low	60.5	Low	59 Å²	59	47.2 Å²	47.2	26%	0.259	24%	0.241	S	C	.	.	S	Bend	trans	-131.7	150.9	179	-56.9	-89.6	0	0	0	108.5	S59 P63 N157 F158 L159 H793	S59-F61 WeakPolarHBondContact CB-O 3.42Å; S59-F61 PolarHBondContact O-N 2.9Å; S59-F61 PolarHBondContact OG-O 3.31Å; F61-P63 WeakPolarHBondContact O-CD 3.44Å; F61-N157 WeakPolarHBondContact CD1-O 3.3Å; F61-F158 WeakPolarHBondContact CA-O 3.45Å; F61-L159 HydrophobicContact CD1-CD2 3.89Å; F61-L159 HydrophobicContact CD1-CG 4.07Å; F61-L159 HydrophobicContact CE1-CD2 3.51Å; F61-L159 HydrophobicContact CE1-CG 3.89Å; F61-L159 HydrophobicContact CZ-CD2 4.39Å; F61-H793 AromaticContact CZ-CE1 3.98Å
62	I	62.1	Low	60.4	Low	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113	170.1	-58.4	169.4	0	0	0	106.4	Y54 K64 F65 N157 F158 L182	Y54-I62 HydrophobicContact CD1-CD1 3.59Å; Y54-I62 HydrophobicContact CD1-CG1 4.14Å; Y54-I62 HydrophobicContact CD2-CD1 4.33Å; Y54-I62 HydrophobicContact CD2-CG1 3.96Å; Y54-I62 HydrophobicContact CE1-CD1 3.63Å; Y54-I62 HydrophobicContact CE1-CG1 4.11Å; Y54-I62 HydrophobicContact CE2-CD1 4.35Å; Y54-I62 HydrophobicContact CE2-CG1 3.92Å; Y54-I62 HydrophobicContact CG-CD1 3.97Å; Y54-I62 HydrophobicContact CG-CG1 4.08Å; I62-K64 PolarHBondContact O-N 3.49Å; I62-F65 HydrophobicContact CG2-CD1 3.9Å; I62-N157 CarbonylContact O-C 3.59Å; I62-N157 VanDerWaalsContact O-CA 3.28Å; I62-N157 WeakPolarHBondContact O-CA 3.35Å; I62-N157 PolarHBondContact O-N 3.19Å; I62-N157 VanDerWaalsContact O-N 3.16Å; I62-F158 PolarHBondContact N-O 3.36Å; I62-F158 PolarHBondContact O-N 2.99Å; I62-L182 HydrophobicContact CD1-CB 4.04Å; I62-L182 HydrophobicContact CD1-CD2 3.59Å; I62-L182 HydrophobicContact CD1-CG 4.34Å
63	P	57.2	Low	59.9	Low	73 Å²	73	45.5 Å²	45.5	47%	0.474	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-40.1	-164.9	23.9	-33.7	0	0	0	112.5	F61 Y156 N157	F61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-Y156 WeakPolarHBondContact O-CA 3.37Å; P63-N157 PolarHBondContact O-N 3.11Å
64	K	69.2	Low	59.5	Low	37 Å²	37	49 Å²	49	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	145.1	174.2	-163.9	-171.7	-176.5	-172.1	0	112.2	S29 I30 I62 H66 V155 Y156	S29-K64 PolarHBondContact OG-O 2.84Å; S29-K64 VanDerWaalsContact OG-O 3.11Å; I30-K64 HydrophobicContact CB-CD 4.45Å; I30-K64 HydrophobicContact CD1-CD 3.69Å; I30-K64 HydrophobicContact CG1-CD 4.03Å; I62-K64 PolarHBondContact O-N 3.49Å; K64-H66 VanDerWaalsContact CE-CE1 3.43Å; K64-H66 WeakPolarHBondContact CE-CE1 3.34Å; K64-H66 WeakPolarHBondContact CE-NE2 3.43Å; K64-H66 PolarHBondContact NZ-CE1 3.47Å; K64-H66 PolarHBondContact NZ-NE2 2.89Å; K64-V155 CarbonylContact C-O 3.56Å; K64-V155 VanDerWaalsContact CA-O 3.25Å; K64-V155 WeakPolarHBondContact CA-O 3.43Å; K64-V155 WeakPolarHBondContact CG-O 3.23Å; K64-Y156 HydrophobicContact CB-CD1 4.32Å; K64-Y156 HydrophobicContact CD-CD1 4.19Å; K64-Y156 HydrophobicContact CD-CE1 3.72Å; K64-Y156 VanDerWaalsContact CE-CZ 3.46Å; K64-Y156 WeakPolarHBondContact CE-OH 3.44Å; K64-Y156 HydrophobicContact CG-CD1 3.84Å; K64-Y156 HydrophobicContact CG-CE1 3.86Å; K64-Y156 HydrophobicContact CG-CG 4.33Å
65	F	68.8	Low	59	Low	3 Å²	3	50.8 Å²	50.8	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	164.1	161	64.7	-92.8	0	0	0	112.1	V27 N28 I52 I62 L67 S154 V155 F158 L164 L182	V27-F65 HydrophobicContact CG1-CB 3.72Å; V27-F65 HydrophobicContact CG1-CD2 3.86Å; V27-F65 HydrophobicContact CG1-CG 4.19Å; N28-F65 CarbonylContact O-C 3.6Å; N28-F65 VanDerWaalsContact O-CA 3.28Å; N28-F65 WeakPolarHBondContact O-CA 3.2Å; I52-F65 HydrophobicContact CD1-CD2 4.16Å; I52-F65 HydrophobicContact CD1-CE2 3.84Å; I52-F65 HydrophobicContact CD1-CZ 4.41Å; I62-F65 HydrophobicContact CG2-CD1 3.9Å; F65-L67 HydrophobicContact CD2-CD1 4.34Å; F65-L67 HydrophobicContact CD2-CG 4.37Å; F65-L67 HydrophobicContact CE2-CD1 3.73Å; F65-L67 HydrophobicContact CE2-CG 4.21Å; F65-S154 CarbonylContact O-C 3.52Å; F65-S154 WeakPolarHBondContact O-CA 3.31Å; F65-V155 HydrophobicContact CD1-CB 4.23Å; F65-V155 HydrophobicContact CD2-CB 4.21Å; F65-V155 HydrophobicContact CD2-CG2 4.34Å; F65-V155 HydrophobicContact CE1-CB 3.86Å; F65-V155 HydrophobicContact CE1-CG1 3.91Å; F65-V155 HydrophobicContact CE2-CB 3.84Å; F65-V155 HydrophobicContact CE2-CG1 4.47Å; F65-V155 HydrophobicContact CE2-CG2 3.75Å; F65-V155 HydrophobicContact CG-CB 4.4Å; F65-V155 HydrophobicContact CZ-CB 3.66Å; F65-V155 HydrophobicContact CZ-CG1 3.81Å; F65-V155 HydrophobicContact CZ-CG2 3.91Å; F65-V155 PolarHBondContact N-O 2.7Å; F65-V155 PolarHBondContact O-N 2.82Å; F65-F158 HydrophobicContact CE1-CB 3.72Å; F65-F158 HydrophobicContact CE1-CD1 4.25Å; F65-F158 AromaticContact CE1-CG 3.98Å; F65-F158 HydrophobicContact CE1-CG 3.98Å; F65-F158 HydrophobicContact CZ-CG 4.34Å; F65-L164 HydrophobicContact CE2-CD2 4.13Å; F65-L164 HydrophobicContact CZ-CD2 4.25Å; F65-L182 HydrophobicContact CD1-CD2 4.26Å; F65-L182 HydrophobicContact CE1-CD2 3.8Å; F65-L182 HydrophobicContact CZ-CD1 4.49Å; F65-L182 HydrophobicContact CZ-CD2 3.97Å
66	H	67.4	Low	58.8	Low	27 Å²	27	48.9 Å²	48.9	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	91.8	-166.5	-78.5	-85.3	0	0	0	112.4	V27 N28 K64 L152 I153 S154	V27-H66 VanDerWaalsContact CA-O 3.25Å; V27-H66 WeakPolarHBondContact CA-O 3.19Å; N28-H66 HydrophobicContact CB-CB 4.08Å; N28-H66 PolarHBondContact N-O 2.95Å; N28-H66 VanDerWaalsContact N-O 3.08Å; N28-H66 VanDerWaalsContact O-CB 3.29Å; N28-H66 WeakPolarHBondContact O-CB 3.49Å; N28-H66 PolarHBondContact O-N 3.37Å; K64-H66 VanDerWaalsContact CE-CE1 3.43Å; K64-H66 WeakPolarHBondContact CE-CE1 3.34Å; K64-H66 WeakPolarHBondContact CE-NE2 3.43Å; K64-H66 PolarHBondContact NZ-CE1 3.47Å; K64-H66 PolarHBondContact NZ-NE2 2.89Å; H66-L152 HydrophobicContact CB-CD1 3.9Å; H66-I153 CarbonylContact C-O 3.56Å; H66-I153 WeakPolarHBondContact CA-O 3.3Å; H66-S154 PolarHBondContact CE1-OG 3.28Å; H66-S154 PolarHBondContact ND1-OG 2.88Å
67	L	67.6	Low	59	Low	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.2	173.6	-79.6	153.3	0	0	0	112.2	C25 I26 V27 F65 L152 I153 V155 L164 I166 I180	C25-L67 HydrophobicContact CB-CD2 3.73Å; I26-L67 CarbonylContact O-C 3.53Å; I26-L67 VanDerWaalsContact O-C 3.23Å; I26-L67 WeakPolarHBondContact O-CA 3.35Å; V27-L67 HydrophobicContact CG2-CD2 3.37Å; V27-L67 HydrophobicContact CG2-CG 3.72Å; F65-L67 HydrophobicContact CD2-CD1 4.34Å; F65-L67 HydrophobicContact CD2-CG 4.37Å; F65-L67 HydrophobicContact CE2-CD1 3.73Å; F65-L67 HydrophobicContact CE2-CG 4.21Å; L67-L152 CarbonylContact O-C 3.43Å; L67-I153 HydrophobicContact CB-CB 3.87Å; L67-I153 HydrophobicContact CB-CG2 4.26Å; L67-I153 PolarHBondContact N-O 3.12Å; L67-I153 WeakPolarHBondContact O-CB 3.15Å; L67-I153 PolarHBondContact O-N 3.29Å; L67-V155 HydrophobicContact CD1-CG2 4.45Å; L67-L164 HydrophobicContact CD1-CD2 3.19Å; L67-I166 HydrophobicContact CD1-CD1 4.4Å; L67-I180 HydrophobicContact CD2-CD1 4.07Å
68	Y	64.2	Low	59.6	Low	48 Å²	48	41.3 Å²	41.3	19%	0.188	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	95.1	174.1	-77.4	-95.2	0	0	0	111.8	C25 I26 L119 W151 L152	C25-Y68 VanDerWaalsContact CA-O 3.27Å; C25-Y68 WeakPolarHBondContact CA-O 3.3Å; I26-Y68 HydrophobicContact CB-CD2 4.23Å; I26-Y68 PolarHBondContact N-O 2.73Å; I26-Y68 PolarHBondContact O-N 2.75Å; Y68-L119 HydrophobicContact CD1-CD1 3.81Å; Y68-L119 HydrophobicContact CE1-CD1 3.65Å; Y68-W151 CarbonylContact C-O 3.53Å; Y68-W151 WeakPolarHBondContact CA-O 3.38Å; Y68-L152 HydrophobicContact CD1-CD1 4.16Å; Y68-L152 HydrophobicContact CD2-CD1 4.13Å; Y68-L152 HydrophobicContact CE1-CD1 3.93Å; Y68-L152 HydrophobicContact CE2-CD1 3.89Å; Y68-L152 HydrophobicContact CG-CD1 4.27Å
69	A	62.9	Low	60.4	Low	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118	-177	0	0	0	0	0	113.3	I24 I71 L150 W151 I153	I24-A69 CarbonylContact O-C 3.42Å; I24-A69 VanDerWaalsContact O-CA 3.23Å; I24-A69 WeakPolarHBondContact O-CA 3.33Å; A69-I71 HydrophobicContact CB-CD1 4.28Å; A69-I71 HydrophobicContact CB-CG1 4.21Å; A69-L150 CarbonylContact O-C 3.56Å; A69-L150 WeakPolarHBondContact O-CA 3.29Å; A69-W151 HydrophobicContact CB-CB 4.36Å; A69-W151 PolarHBondContact N-O 3.31Å; A69-W151 PolarHBondContact O-N 3.27Å; A69-I153 HydrophobicContact CB-CD1 3.77Å
70	L	60.6	Low	61.4	Low	14 Å²	14	31.4 Å²	31.4	7%	0.073	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135	156.7	-79.6	86.6	0	0	0	108.8	C23 I24 L131 I135 I148 L150	C23-L70 WeakPolarHBondContact CA-O 3.03Å; I24-L70 HydrophobicContact CB-CD1 4.19Å; I24-L70 PolarHBondContact O-N 3.25Å; L70-L131 HydrophobicContact CD1-CD1 4.44Å; L70-I135 HydrophobicContact CD2-CD1 3.92Å; L70-I148 HydrophobicContact CB-CG2 4.39Å; L70-I148 HydrophobicContact CD2-CG2 4.25Å; L70-I148 HydrophobicContact CG-CG2 4.49Å; L70-L150 HydrophobicContact CD1-CD1 3.58Å; L70-L150 HydrophobicContact CG-CD1 3.91Å
71	I	62	Low	61.8	Low	3 Å²	3	26.7 Å²	26.7	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.9	178	-60.2	-172.1	0	0	0	112.2	A69 A76 I78 I148 N149 A168	A69-I71 HydrophobicContact CB-CD1 4.28Å; A69-I71 HydrophobicContact CB-CG1 4.21Å; I71-A76 HydrophobicContact CG2-CB 3.72Å; I71-I78 HydrophobicContact CD1-CD1 3.41Å; I71-I78 VanDerWaalsContact CD1-CD1 3.41Å; I71-I78 HydrophobicContact CD1-CG1 3.57Å; I71-I78 HydrophobicContact CG1-CD1 4.49Å; I71-I148 WeakPolarHBondContact O-CA 3.48Å; I71-N149 PolarHBondContact N-O 2.69Å; I71-N149 PolarHBondContact O-N 3.16Å; I71-N149 VanDerWaalsContact O-N 3.1Å; I71-A168 HydrophobicContact CD1-CB 4.15Å; I71-A168 HydrophobicContact CG2-CB 4.19Å
72	T	52.9	Low	62.4	Low	25 Å²	25	24.1 Å²	24.1	15%	0.153	12%	0.12	C	C	.	.	S	Bend	trans	-128.3	149.7	175.2	35.4	0	0	0	0	110.1	F21 F22 I148	F21-T72 WeakPolarHBondContact CD1-O 3.45Å; F21-T72 WeakPolarHBondContact CE1-O 3.32Å; F22-T72 PolarHBondContact N-OG1 3.3Å; T72-I148 HydrophobicContact CG2-CB 4.46Å; T72-I148 HydrophobicContact CG2-CD1 4.25Å; T72-I148 HydrophobicContact CG2-CG1 3.66Å
73	P	50.2	Low	62.4	Low	21 Å²	21	24 Å²	24	14%	0.136	12%	0.119	C	C	.	.	S	Bend	cis	-64.7	172.5	-20.5	33.3	-38.4	0	0	0	111.5	F21 N75 A76 T170	F21-P73 VanDerWaalsContact CE1-CD 3.41Å; P73-N75 WeakPolarHBondContact CB-OD1 3.37Å; P73-N75 VanDerWaalsContact CG-OD1 3.23Å; P73-N75 WeakPolarHBondContact CG-OD1 3.38Å; P73-N75 PolarHBondContact O-N 2.74Å; P73-A76 WeakPolarHBondContact O-CB 3.46Å; P73-A76 PolarHBondContact O-N 2.76Å; P73-A76 VanDerWaalsContact O-N 3.16Å; P73-T170 HydrophobicContact CG-CG2 4.48Å
74	R	56.4	Low	62.6	Low	126 Å²	126	21.4 Å²	21.4	48%	0.475	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.6	-170.9	-160.1	165.1	176.3	-152.3	-8.6	115.1	E146 N147 N149	R74-E146 WeakPolarHBondContact CD-O 3.2Å; R74-E146 PolarHBondContact NH1-O 3.36Å; R74-N147 PolarHBondContact N-O 3.38Å; R74-N147 PolarHBondContact N-OD1 3.03Å; R74-N147 VanDerWaalsContact N-OD1 3.07Å; R74-N149 HydrophobicContact CG-CB 4.06Å; R74-N149 WeakPolarHBondContact CG-ND2 3.46Å; R74-N149 WeakPolarHBondContact CG-OD1 3.23Å; R74-N149 PolarHBondContact NE-OD1 2.92Å; R74-N149 PolarHBondContact O-ND2 2.96Å
75	N	57.2	Low	61.9	Low	80 Å²	80	26 Å²	26	43%	0.428	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	9.3	179	63.1	-28.6	0	0	0	114.3	P73	P73-N75 WeakPolarHBondContact CB-OD1 3.37Å; P73-N75 VanDerWaalsContact CG-OD1 3.23Å; P73-N75 WeakPolarHBondContact CG-OD1 3.38Å; P73-N75 PolarHBondContact O-N 2.74Å
76	A	57.3	Low	61.1	Low	1 Å²	1	28 Å²	28	1%	0.008	13%	0.132	C	C	.	.			trans	-66.3	145.4	174.9	0	0	0	0	0	112.3	I71 P73 T169 T170 Q680	I71-A76 HydrophobicContact CG2-CB 3.72Å; P73-A76 WeakPolarHBondContact O-CB 3.46Å; P73-A76 PolarHBondContact O-N 2.76Å; P73-A76 VanDerWaalsContact O-N 3.16Å; A76-T169 CarbonylContact C-O 3.47Å; A76-T169 VanDerWaalsContact CA-O 3.23Å; A76-T169 WeakPolarHBondContact CA-O 3.47Å; A76-T170 HydrophobicContact CB-CG2 4.29Å; A76-Q680 PolarHBondContact O-NE2 3.02Å
77	T	61.5	Low	60.5	Low	13 Å²	13	32.8 Å²	32.8	8%	0.08	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	157.3	171.5	87.3	0	0	0	0	110.3	A168 T169 Q680	T77-A168 CarbonylContact O-C 3.55Å; T77-A168 VanDerWaalsContact O-CA 3.3Å; T77-A168 WeakPolarHBondContact O-CA 3.44Å; T77-T169 PolarHBondContact N-O 3.38Å; T77-T169 PolarHBondContact O-N 3.04Å; T77-T169 VanDerWaalsContact OG1-CB 3.22Å; T77-T169 WeakPolarHBondContact OG1-CB 3.28Å; T77-T169 PolarHBondContact OG1-OG1 3Å; T77-Q680 VanDerWaalsContact CB-OE1 3.22Å; T77-Q680 HydrophobicContact CG2-CG 4.18Å
78	I	65.4	Low	59.9	Low	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.2	174.6	-53.6	-174	0	0	0	109.8	I71 H98 I116 W151 I153 I166 L167	I71-I78 HydrophobicContact CD1-CD1 3.41Å; I71-I78 VanDerWaalsContact CD1-CD1 3.41Å; I71-I78 HydrophobicContact CD1-CG1 3.57Å; I71-I78 HydrophobicContact CG1-CD1 4.49Å; I78-H98 PolarHBondContact O-CE1 2.78Å; I78-H98 PolarHBondContact O-NE2 3.03Å; I78-I116 HydrophobicContact CB-CD1 4.16Å; I78-I116 HydrophobicContact CD1-CG2 4.39Å; I78-I116 HydrophobicContact CG2-CD1 3.79Å; I78-W151 HydrophobicContact CD1-CB 3.79Å; I78-W151 HydrophobicContact CD1-CD2 3.47Å; I78-W151 VanDerWaalsContact CD1-CD2 3.47Å; I78-W151 HydrophobicContact CD1-CE3 4.11Å; I78-W151 HydrophobicContact CD1-CG 3.34Å; I78-W151 HydrophobicContact CD1-CZ2 4.31Å; I78-W151 HydrophobicContact CG1-CD2 4.39Å; I78-W151 HydrophobicContact CG1-CZ2 4.41Å; I78-I153 HydrophobicContact CD1-CD1 4.34Å; I78-I153 HydrophobicContact CG2-CD1 4.24Å; I78-I166 HydrophobicContact CG2-CG2 4.06Å; I78-L167 CarbonylContact C-O 3.58Å; I78-L167 WeakPolarHBondContact CA-O 3.3Å
79	Q	66.8	Low	59.5	Low	23 Å²	23	35.7 Å²	35.7	11%	0.107	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.1	161.6	-68.9	178.5	-12.6	0	0	110.1	L167 N618	Q79-L167 HydrophobicContact CB-CB 4.27Å; Q79-L167 PolarHBondContact N-O 3.22Å; Q79-L167 PolarHBondContact O-N 3.1Å; Q79-N618 PolarHBondContact NE2-ND2 2.89Å; Q79-N618 VanDerWaalsContact NE2-ND2 3.12Å; Q79-N618 PolarHBondContact NE2-OD1 3.32Å
80	L	68.7	Low	59.3	Low	1 Å²	1	39 Å²	39	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.4	171.8	-79.6	176.8	0	0	0	110.2	I94 T96 A114 I153 V155 L164 I166	L80-I94 HydrophobicContact CB-CB 3.92Å; L80-I94 HydrophobicContact CB-CD1 4.08Å; L80-I94 HydrophobicContact CB-CG1 4.18Å; L80-I94 PolarHBondContact O-N 3.23Å; L80-T96 HydrophobicContact CB-CG2 4.04Å; L80-T96 HydrophobicContact CD1-CG2 3.92Å; L80-T96 HydrophobicContact CG-CG2 4.13Å; L80-A114 HydrophobicContact CD1-CB 3.48Å; L80-A114 VanDerWaalsContact CD1-CB 3.48Å; L80-I153 HydrophobicContact CD1-CG2 3.7Å; L80-I153 HydrophobicContact CD2-CG2 4.15Å; L80-I153 HydrophobicContact CG-CG2 4.2Å; L80-V155 HydrophobicContact CD1-CG2 3.92Å; L80-L164 HydrophobicContact CD2-CD1 4.34Å; L80-L164 HydrophobicContact CD2-CD2 3.98Å; L80-L164 HydrophobicContact CD2-CG 4.19Å; L80-I166 HydrophobicContact CD2-CG1 3.71Å
81	G	63.3	Low	59.2	Low	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	153	164.7	0	0	0	0	0	111.2	I92 L165	G81-I92 CarbonylContact C-O 3.56Å; G81-I92 WeakPolarHBondContact CA-O 3.39Å; G81-L165 PolarHBondContact N-O 2.78Å; G81-L165 PolarHBondContact O-N 2.75Å; G81-L165 VanDerWaalsContact O-O 3.14Å
82	A	68.4	Low	59	Low	4 Å²	4	42.9 Å²	42.9	3%	0.033	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.7	159.9	0	0	0	0	0	108.8	I92 I94 F158 M162 K163	A82-I92 PolarHBondContact N-O 3.39Å; A82-I92 WeakPolarHBondContact O-CB 3.16Å; A82-I92 PolarHBondContact O-N 3.31Å; A82-I94 HydrophobicContact CB-CD1 4.12Å; A82-I94 HydrophobicContact CB-CG1 4.24Å; A82-F158 HydrophobicContact CB-CE2 4.16Å; A82-F158 HydrophobicContact CB-CZ 4.18Å; A82-M162 HydrophobicContact CB-CB 4.34Å; A82-M162 HydrophobicContact CB-CG 4.45Å; A82-M162 HydrophobicContact CB-SD 3.88Å; A82-K163 CarbonylContact C-O 3.6Å; A82-K163 VanDerWaalsContact CA-O 3.25Å; A82-K163 WeakPolarHBondContact CA-O 3.4Å
83	I	62.1	Low	59.5	Low	2 Å²	2	44.9 Å²	44.9	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.8	170.1	-60.2	-169.2	0	0	0	107.4	P88 I91 K163 L179 F524	I83-P88 WeakPolarHBondContact CG2-O 3.38Å; I83-I91 HydrophobicContact CD1-CG1 4.1Å; I83-I91 HydrophobicContact CG1-CG1 4.12Å; I83-K163 PolarHBondContact N-O 2.94Å; I83-K163 PolarHBondContact O-N 2.87Å; I83-L179 HydrophobicContact CD1-CD1 4.45Å; I83-L179 HydrophobicContact CD1-CD2 3.63Å; I83-L179 HydrophobicContact CG1-CD2 4.2Å; I83-F524 HydrophobicContact CD1-CE2 3.76Å; I83-F524 HydrophobicContact CD1-CZ 3.7Å
84	H	61.3	Low	59.9	Low	19 Å²	19	44.8 Å²	44.8	9%	0.088	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.3	173.1	-157.7	-113.3	0	0	0	110.3	D86 K87 I92 M162 N852	H84-D86 IonicContact CE1-OD2 2.63Å; H84-D86 PolarHBondContact CE1-OD2 2.87Å; H84-D86 IonicContact ND1-OD2 3.73Å; H84-D86 PolarHBondContact ND1-OD2 2.67Å; H84-D86 PolarHBondContact O-N 3.09Å; H84-D86 VanDerWaalsContact O-N 3.14Å; H84-K87 CarbonylContact O-C 3.59Å; H84-K87 PolarHBondContact O-N 2.81Å; H84-I92 HydrophobicContact CB-CD1 4.49Å; H84-M162 HydrophobicContact CB-CE 4.01Å; H84-M162 HydrophobicContact CB-SD 3.77Å; H84-M162 VanDerWaalsContact CD2-CE 3.5Å; H84-M162 WeakPolarHBondContact CD2-CE 3.49Å; H84-M162 VanDerWaalsContact CD2-SD 3.54Å; H84-N852 PolarHBondContact CE1-OD1 2.9Å
85	K	55.8	Low	59.7	Low	135 Å²	135	42.2 Å²	42.2	59%	0.587	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-39.4	-178.4	-177.6	-173.5	163.4	-137	0	113.4
86	D	50.3	Low	59.8	Low	45 Å²	45	39.7 Å²	39.7	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.7	-176.5	-12.2	-56.9	0	0	0	113.3	H84 P88 D851 N852	H84-D86 IonicContact CE1-OD2 2.63Å; H84-D86 PolarHBondContact CE1-OD2 2.87Å; H84-D86 IonicContact ND1-OD2 3.73Å; H84-D86 PolarHBondContact ND1-OD2 2.67Å; H84-D86 PolarHBondContact O-N 3.09Å; H84-D86 VanDerWaalsContact O-N 3.14Å; D86-P88 VanDerWaalsContact C-CD 3.46Å; D86-D851 HydrophobicContact CB-CB 4.02Å; D86-N852 PolarHBondContact OD2-ND2 3.32Å
87	K	56	Low	59.6	Low	126 Å²	126	41 Å²	41	55%	0.548	21%	0.207	S	C	.	.			trans	-129.6	64.6	169	-70.5	-162.3	173.8	-169.2	0	110.5	H84 N89 M90	H84-K87 CarbonylContact O-C 3.59Å; H84-K87 PolarHBondContact O-N 2.81Å; K87-N89 PolarHBondContact O-N 3.34Å; K87-N89 VanDerWaalsContact O-N 3.14Å; K87-M90 HydrophobicContact CB-CB 4.01Å; K87-M90 HydrophobicContact CD-SD 3.84Å; K87-M90 PolarHBondContact O-N 3.29Å
88	P	54.7	Low	59.2	Low	31 Å²	31	42.2 Å²	42.2	20%	0.201	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.6	-175.7	20.7	-30.1	0	0	0	113.6	I83 D86 M90 I515 F524	I83-P88 WeakPolarHBondContact CG2-O 3.38Å; D86-P88 VanDerWaalsContact C-CD 3.46Å; P88-M90 VanDerWaalsContact C-N 3.25Å; P88-M90 PolarHBondContact O-N 2.94Å; P88-I515 HydrophobicContact CB-CD1 3.62Å; P88-I515 HydrophobicContact CB-CG1 3.74Å; P88-F524 VanDerWaalsContact O-CE2 3.32Å; P88-F524 WeakPolarHBondContact O-CE2 3.46Å; P88-F524 WeakPolarHBondContact O-CZ 3.32Å
89	N	56.7	Low	58.6	Low	78 Å²	78	42.7 Å²	42.7	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	5.2	179.9	-52.3	34.6	0	0	0	113.5	K87 Q517 F524	K87-N89 PolarHBondContact O-N 3.34Å; K87-N89 VanDerWaalsContact O-N 3.14Å; N89-Q517 VanDerWaalsContact CG-NE2 3.29Å; N89-Q517 PolarHBondContact OD1-NE2 2.97Å; N89-F524 VanDerWaalsContact C-CD2 3.42Å; N89-F524 WeakPolarHBondContact O-CD2 3.46Å
90	M	57.2	Low	57.6	Low	70 Å²	70	44.9 Å²	44.9	35%	0.345	22%	0.222	S	C	.	.			trans	-127.1	121	-171.6	-164	177.6	-169	0	0	111.5	K87 P88 L613	K87-M90 HydrophobicContact CB-CB 4.01Å; K87-M90 HydrophobicContact CD-SD 3.84Å; K87-M90 PolarHBondContact O-N 3.29Å; P88-M90 VanDerWaalsContact C-N 3.25Å; P88-M90 PolarHBondContact O-N 2.94Å; M90-L613 HydrophobicContact CE-CD1 3.66Å
91	I	59.2	Low	55.9	Low	22 Å²	22	47.5 Å²	47.5	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117	175.4	-62.5	161.8	0	0	0	109	I83 Y93 L165 G522 F524	I83-I91 HydrophobicContact CD1-CG1 4.1Å; I83-I91 HydrophobicContact CG1-CG1 4.12Å; I91-Y93 HydrophobicContact CB-CE2 4.25Å; I91-Y93 HydrophobicContact CG2-CD2 4.19Å; I91-Y93 HydrophobicContact CG2-CE1 4.47Å; I91-Y93 HydrophobicContact CG2-CE2 3.88Å; I91-L165 HydrophobicContact CD1-CD2 3.66Å; I91-L165 HydrophobicContact CG1-CD2 3.8Å; I91-L165 HydrophobicContact CG2-CD2 3.98Å; I91-G522 WeakPolarHBondContact CD1-O 3.47Å; I91-F524 HydrophobicContact CD1-CD2 4.16Å; I91-F524 HydrophobicContact CD1-CE2 4.01Å; I91-F524 HydrophobicContact CG1-CD2 4.2Å; I91-F524 HydrophobicContact CG1-CE2 3.79Å
92	I	58.7	Low	54.4	Low	77 Å²	77	54.2 Å²	54.2	40%	0.395	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108.1	173	-58.8	169.1	0	0	0	107.4	G81 A82 H84 I94 M162	G81-I92 CarbonylContact C-O 3.56Å; G81-I92 WeakPolarHBondContact CA-O 3.39Å; A82-I92 PolarHBondContact N-O 3.39Å; A82-I92 WeakPolarHBondContact O-CB 3.16Å; A82-I92 PolarHBondContact O-N 3.31Å; H84-I92 HydrophobicContact CB-CD1 4.49Å; I92-I94 PolarHBondContact O-N 3.3Å; I92-M162 HydrophobicContact CD1-CE 3.75Å; I92-M162 HydrophobicContact CD1-SD 4.17Å
93	Y	62.2	Low	52.6	Low	68 Å²	68	58 Å²	58	27%	0.267	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.9	179.7	-68.7	-97.8	0	0	0	110.7	I91 L167	I91-Y93 HydrophobicContact CB-CE2 4.25Å; I91-Y93 HydrophobicContact CG2-CD2 4.19Å; I91-Y93 HydrophobicContact CG2-CE1 4.47Å; I91-Y93 HydrophobicContact CG2-CE2 3.88Å; Y93-L167 HydrophobicContact CD1-CD1 4.34Å; Y93-L167 HydrophobicContact CE1-CD1 3.49Å; Y93-L167 VanDerWaalsContact CE1-CD1 3.49Å
94	I	59.8	Low	51	Low	19 Å²	19	65.4 Å²	65.4	10%	0.097	34%	0.337	C	S	.	.			trans	-88.5	129.7	-176.4	-54.3	-175.5	0	0	0	109.3	L80 A82 I92 T96 H113 A114 F158 L164	L80-I94 HydrophobicContact CB-CB 3.92Å; L80-I94 HydrophobicContact CB-CD1 4.08Å; L80-I94 HydrophobicContact CB-CG1 4.18Å; L80-I94 PolarHBondContact O-N 3.23Å; A82-I94 HydrophobicContact CB-CD1 4.12Å; A82-I94 HydrophobicContact CB-CG1 4.24Å; I92-I94 PolarHBondContact O-N 3.3Å; I94-T96 PolarHBondContact O-N 2.81Å; I94-H113 HydrophobicContact CG2-CB 3.52Å; I94-A114 HydrophobicContact CG2-CB 4.13Å; I94-F158 HydrophobicContact CD1-CD2 4.37Å; I94-F158 HydrophobicContact CD1-CE2 3.75Å; I94-L164 HydrophobicContact CD1-CD1 3.43Å; I94-L164 VanDerWaalsContact CD1-CD1 3.43Å
95	P	51.9	Low	49.6	Very low	72 Å²	72	67.1 Å²	67.1	47%	0.468	34%	0.343	S	S	.	.			trans	-58.3	107.4	174	-27.4	36.1	0	0	0	112.7	H113 A114	P95-H113 PolarHBondContact O-N 2.87Å; P95-A114 PolarHBondContact O-N 2.81Å
96	T	57.9	Low	48.6	Very low	26 Å²	26	63.3 Å²	63.3	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.5	-176	39.8	0	0	0	0	112.5	L80 I94 A114 I116	L80-T96 HydrophobicContact CB-CG2 4.04Å; L80-T96 HydrophobicContact CD1-CG2 3.92Å; L80-T96 HydrophobicContact CG-CG2 4.13Å; I94-T96 PolarHBondContact O-N 2.81Å; T96-A114 WeakPolarHBondContact CA-O 3.44Å; T96-A114 HydrophobicContact CG2-CB 3.82Å; T96-I116 HydrophobicContact CG2-CD1 3.67Å; T96-I116 HydrophobicContact CG2-CG1 4.11Å
97	V	53.9	Low	47.6	Very low	30 Å²	30	64.5 Å²	64.5	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.5	166.3	177.6	0	0	0	0	109.2	M107 T112 A114 K115 I116	V97-M107 HydrophobicContact CG1-CE 3.79Å; V97-M107 HydrophobicContact CG1-SD 4.09Å; V97-M107 HydrophobicContact CG2-CE 4.11Å; V97-T112 HydrophobicContact CG2-CG2 3.47Å; V97-T112 VanDerWaalsContact CG2-CG2 3.47Å; V97-A114 PolarHBondContact N-O 3.45Å; V97-K115 CarbonylContact O-C 3.57Å; V97-K115 WeakPolarHBondContact O-CA 3.48Å; V97-I116 PolarHBondContact O-N 2.85Å
98	H	54.2	Low	46.5	Very low	38 Å²	38	61.8 Å²	61.8	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.4	170.8	-69	-113.3	0	0	0	110.9	I78 Y100 I116	I78-H98 PolarHBondContact O-CE1 2.78Å; I78-H98 PolarHBondContact O-NE2 3.03Å; H98-Y100 HydrophobicContact CB-CD2 4.05Å; H98-Y100 HydrophobicContact CB-CE2 3.42Å; H98-Y100 VanDerWaalsContact CB-CE2 3.42Å; H98-Y100 PolarHBondContact ND1-OH 3.48Å; H98-I116 CarbonylContact C-O 3.59Å; H98-I116 VanDerWaalsContact CA-O 3.31Å; H98-I116 WeakPolarHBondContact CA-O 3.48Å
99	E	52.7	Low	45.4	Very low	10 Å²	10	63.2 Å²	63.2	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.2	178.2	-162.3	169.4	-86.2	0	0	109.8	K115 I116 S118	E99-K115 VanDerWaalsContact CD-CE 3.47Å; E99-K115 WeakPolarHBondContact OE1-CE 3.41Å; E99-K115 IonicContact OE1-NZ 3.62Å; E99-K115 PolarHBondContact OE1-NZ 2.94Å; E99-K115 WeakPolarHBondContact OE2-CE 3.46Å; E99-K115 IonicContact OE2-NZ 2.78Å; E99-K115 PolarHBondContact OE2-NZ 2.87Å; E99-I116 PolarHBondContact N-O 2.89Å; E99-S118 PolarHBondContact O-N 2.87Å
100	Y	44.9	Very low	44.2	Very low	70 Å²	70	62.8 Å²	62.8	28%	0.275	34%	0.343	S	S	.	.			trans	-110.8	-0.9	-172.7	-70.9	-76.9	0	0	0	113.9	H98 W151 Y678 Q680	H98-Y100 HydrophobicContact CB-CD2 4.05Å; H98-Y100 HydrophobicContact CB-CE2 3.42Å; H98-Y100 VanDerWaalsContact CB-CE2 3.42Å; H98-Y100 PolarHBondContact ND1-OH 3.48Å; Y100-W151 AromaticContact CE1-CH2 3.56Å; Y100-W151 HydrophobicContact CE1-CH2 3.56Å; Y100-W151 AromaticContact CE1-CZ3 3.78Å; Y100-W151 HydrophobicContact CE1-CZ3 3.78Å; Y100-W151 AromaticContact CZ-CH2 3.91Å; Y100-W151 WeakPolarHBondContact OH-CH2 3.42Å; Y100-Y678 WeakPolarHBondContact CE1-O 3.28Å; Y100-Q680 PolarHBondContact OH-OE1 2.84Å; Y100-Q680 VanDerWaalsContact OH-OE1 3.06Å
101	S	32.4	Very low	43.4	Very low	55 Å²	55	65.2 Å²	65.2	39%	0.385	35%	0.353	S	S	.	.	S	Bend	trans	-103.5	156.4	-179.2	52.4	0	0	0	0	111.9	E103	S101-E103 VanDerWaalsContact C-N 3.28Å; S101-E103 PolarHBondContact O-N 3.1Å
102	T	33	Very low	42.6	Very low	142 Å²	142	66.3 Å²	66.3	87%	0.871	36%	0.361	S	S	*	.	S	Bend	trans	-82.2	-1.4	177.6	50.1	0	0	0	0	113.8
103	E	30.4	Very low	42.4	Very low	84 Å²	84	66.6 Å²	66.6	39%	0.393	36%	0.36	S	S	.	.	S	Bend	trans	-91.5	123.8	173.6	-64.3	-175.1	138.3	0	0	109.3	S101 Y105 K1038	S101-E103 VanDerWaalsContact C-N 3.28Å; S101-E103 PolarHBondContact O-N 3.1Å; E103-Y105 HydrophobicContact CB-CD2 4.24Å; E103-Y105 HydrophobicContact CB-CE2 3.67Å; E103-Y105 WeakPolarHBondContact O-CD2 3.49Å; E103-Y105 PolarHBondContact O-N 2.74Å; E103-Y105 PolarHBondContact OE2-OH 3.07Å; E103-K1038 IonicContact OE1-NZ 2.7Å; E103-K1038 PolarHBondContact OE1-NZ 3.27Å; E103-K1038 IonicContact OE2-NZ 3.55Å; E103-K1038 PolarHBondContact OE2-NZ 3.03Å
104	L	28.5	Very low	42.3	Very low	156 Å²	156	63.4 Å²	63.4	82%	0.817	35%	0.348	S	S	*	.			trans	-72.2	99.6	177.7	-82.1	84.7	0	0	0	110.9
105	Y	32.3	Very low	42.5	Very low	56 Å²	56	64.4 Å²	64.4	22%	0.22	35%	0.351	C	S	.	.			trans	-80.3	119.5	170.3	-72.5	-89.3	0	0	0	110.7	E103 M107 T1007 K1038	E103-Y105 HydrophobicContact CB-CD2 4.24Å; E103-Y105 HydrophobicContact CB-CE2 3.67Å; E103-Y105 WeakPolarHBondContact O-CD2 3.49Å; E103-Y105 PolarHBondContact O-N 2.74Å; E103-Y105 PolarHBondContact OE2-OH 3.07Å; Y105-M107 PolarHBondContact O-N 2.77Å; Y105-T1007 HydrophobicContact CD1-CG2 4.15Å; Y105-T1007 HydrophobicContact CE1-CG2 4.23Å; Y105-T1007 WeakPolarHBondContact CE1-OG1 3.47Å; Y105-K1038 HydrophobicContact CE1-CD 3.97Å; Y105-K1038 WeakPolarHBondContact OH-CD 3.4Å; Y105-K1038 PolarHBondContact OH-NZ 3.06Å
106	S	33.8	Very low	43.2	Very low	54 Å²	54	61 Å²	61	38%	0.378	33%	0.329	S	S	.	.			trans	-79.8	59.8	173.7	71.8	0	0	0	0	110.9	T108 L945	S106-T108 PolarHBondContact O-N 2.82Å; S106-T108 PolarHBondContact O-OG1 3.42Å; S106-L945 PolarHBondContact OG-O 2.89Å
107	M	29	Very low	43.7	Very low	70 Å²	70	62 Å²	62	35%	0.345	33%	0.332	S	S	.	.			trans	-63.5	72.5	174.9	-86.2	-179.3	66.7	0	0	111.7	V97 Y105 F109	V97-M107 HydrophobicContact CG1-CE 3.79Å; V97-M107 HydrophobicContact CG1-SD 4.09Å; V97-M107 HydrophobicContact CG2-CE 4.11Å; Y105-M107 PolarHBondContact O-N 2.77Å; M107-F109 HydrophobicContact CB-CD2 4.04Å; M107-F109 HydrophobicContact CE-CD2 3.63Å; M107-F109 HydrophobicContact CE-CE2 3.6Å; M107-F109 HydrophobicContact CG-CD2 4.04Å; M107-F109 HydrophobicContact CG-CE2 4.07Å; M107-F109 PolarHBondContact O-N 2.89Å; M107-F109 HydrophobicContact SD-CE2 4.48Å
108	T	33.3	Very low	44.3	Very low	69 Å²	69	62.6 Å²	62.6	42%	0.423	34%	0.338	S	S	.	.			trans	-79.9	58.2	169	50.2	0	0	0	0	109.4	S106 R943	S106-T108 PolarHBondContact O-N 2.82Å; S106-T108 PolarHBondContact O-OG1 3.42Å; T108-R943 PolarHBondContact O-NH2 3.04Å; T108-R943 VanDerWaalsContact O-NH2 3.12Å; T108-R943 PolarHBondContact OG1-NH1 3.22Å; T108-R943 VanDerWaalsContact OG1-NH1 3.16Å
109	F	30.6	Very low	44.7	Very low	62 Å²	62	61.8 Å²	61.8	27%	0.272	34%	0.335	S	S	.	.			trans	-73	139.3	167.2	-90.1	-95.2	0	0	0	109.4	M107 T112 E1034 V1036	M107-F109 HydrophobicContact CB-CD2 4.04Å; M107-F109 HydrophobicContact CE-CD2 3.63Å; M107-F109 HydrophobicContact CE-CE2 3.6Å; M107-F109 HydrophobicContact CG-CD2 4.04Å; M107-F109 HydrophobicContact CG-CE2 4.07Å; M107-F109 PolarHBondContact O-N 2.89Å; M107-F109 HydrophobicContact SD-CE2 4.48Å; F109-T112 HydrophobicContact CB-CG2 3.75Å; F109-E1034 WeakPolarHBondContact CE1-O 3.44Å; F109-V1036 HydrophobicContact CD2-CG2 4.37Å; F109-V1036 HydrophobicContact CE2-CB 4Å; F109-V1036 HydrophobicContact CE2-CG2 3.41Å; F109-V1036 VanDerWaalsContact CE2-CG2 3.41Å; F109-V1036 HydrophobicContact CZ-CB 4.09Å; F109-V1036 HydrophobicContact CZ-CG2 3.52Å
110	A	32	Very low	44.9	Very low	69 Å²	69	64.9 Å²	64.9	57%	0.57	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	142.4	158.8	0	0	0	0	0	109.5
111	Q	41.8	Very low	45.4	Very low	121 Å²	121	64.1 Å²	64.1	57%	0.565	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	14.3	173	-53	178.4	-36.7	0	0	118.4	H113	Q111-H113 PolarHBondContact O-N 2.84Å; Q111-H113 PolarHBondContact O-ND1 2.78Å
112	T	42.1	Very low	46.2	Very low	44 Å²	44	69.2 Å²	69.2	27%	0.27	37%	0.372	S	S	.	.			trans	-85.7	107.1	166	58	0	0	0	0	110.7	V97 F109	V97-T112 HydrophobicContact CG2-CG2 3.47Å; V97-T112 VanDerWaalsContact CG2-CG2 3.47Å; F109-T112 HydrophobicContact CB-CG2 3.75Å
113	H	54.4	Low	46.8	Very low	84 Å²	84	69.7 Å²	69.7	39%	0.389	36%	0.364	S	S	.	.			trans	-86.1	-22.2	-175.5	-67.2	86.8	0	0	0	113	I94 P95 Q111 Y156	I94-H113 HydrophobicContact CG2-CB 3.52Å; P95-H113 PolarHBondContact O-N 2.87Å; Q111-H113 PolarHBondContact O-N 2.84Å; Q111-H113 PolarHBondContact O-ND1 2.78Å; H113-Y156 PolarHBondContact O-N 2.88Å
114	A	60.3	Low	47.7	Very low	1 Å²	1	67.8 Å²	67.8	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.2	170.1	0	0	0	0	0	113.2	L80 I94 P95 T96 V97 S154 V155	L80-A114 HydrophobicContact CD1-CB 3.48Å; L80-A114 VanDerWaalsContact CD1-CB 3.48Å; I94-A114 HydrophobicContact CG2-CB 4.13Å; P95-A114 PolarHBondContact O-N 2.81Å; T96-A114 WeakPolarHBondContact CA-O 3.44Å; T96-A114 HydrophobicContact CG2-CB 3.82Å; V97-A114 PolarHBondContact N-O 3.45Å; A114-S154 CarbonylContact C-O 3.36Å; A114-S154 WeakPolarHBondContact CA-O 3.4Å; A114-V155 HydrophobicContact CB-CG2 4.38Å
115	K	62.4	Low	48.4	Very low	39 Å²	39	63.8 Å²	63.8	17%	0.17	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.3	175.3	168.6	169.3	170.1	162.3	0	109.7	V97 E99 I153 S154 Y156	V97-K115 CarbonylContact O-C 3.57Å; V97-K115 WeakPolarHBondContact O-CA 3.48Å; E99-K115 VanDerWaalsContact CD-CE 3.47Å; E99-K115 WeakPolarHBondContact OE1-CE 3.41Å; E99-K115 IonicContact OE1-NZ 3.62Å; E99-K115 PolarHBondContact OE1-NZ 2.94Å; E99-K115 WeakPolarHBondContact OE2-CE 3.46Å; E99-K115 IonicContact OE2-NZ 2.78Å; E99-K115 PolarHBondContact OE2-NZ 2.87Å; K115-I153 CarbonylContact O-C 3.53Å; K115-I153 WeakPolarHBondContact O-CA 3.37Å; K115-S154 PolarHBondContact N-O 2.03Å; K115-S154 PolarHBondContact O-N 3.37Å; K115-Y156 HydrophobicContact CB-CE2 4.31Å
116	I	67.9	Low	48.9	Very low	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.1	-178.5	-59.5	-175	0	0	0	108.3	I78 T96 V97 H98 E99 W151 L152 I153	I78-I116 HydrophobicContact CB-CD1 4.16Å; I78-I116 HydrophobicContact CD1-CG2 4.39Å; I78-I116 HydrophobicContact CG2-CD1 3.79Å; T96-I116 HydrophobicContact CG2-CD1 3.67Å; T96-I116 HydrophobicContact CG2-CG1 4.11Å; V97-I116 PolarHBondContact O-N 2.85Å; H98-I116 CarbonylContact C-O 3.59Å; H98-I116 VanDerWaalsContact CA-O 3.31Å; H98-I116 WeakPolarHBondContact CA-O 3.48Å; E99-I116 PolarHBondContact N-O 2.89Å; I116-W151 HydrophobicContact CG2-CD2 4.41Å; I116-W151 HydrophobicContact CG2-CE3 3.54Å; I116-W151 HydrophobicContact CG2-CZ3 3.9Å; I116-L152 CarbonylContact C-O 3.57Å; I116-L152 WeakPolarHBondContact CA-O 3.27Å; I116-I153 HydrophobicContact CG1-CG1 4.15Å; I116-I153 HydrophobicContact CG1-CG2 4.23Å; I116-I153 HydrophobicContact CG2-CG1 4.24Å
117	Q	67.4	Low	49.4	Very low	47 Å²	47	68.9 Å²	68.9	22%	0.22	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.4	-176.6	-175.4	179.3	9.4	0	0	109.9	W151 L152	Q117-W151 CarbonylContact O-C 3.59Å; Q117-W151 WeakPolarHBondContact O-CA 3.18Å; Q117-L152 HydrophobicContact CB-CB 4.44Å; Q117-L152 PolarHBondContact N-O 3.1Å; Q117-L152 PolarHBondContact O-N 3.22Å
118	S	66.3	Low	50.1	Low	43 Å²	43	66.2 Å²	66.2	30%	0.301	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.2	174.3	169.7	0	0	0	0	110.4	E99	E99-S118 PolarHBondContact O-N 2.87Å
119	L	63.9	Low	50.5	Low	22 Å²	22	67.3 Å²	67.3	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.3	178.5	-76.3	172.3	0	0	0	112.1	Y68 I121 L150 L152	Y68-L119 HydrophobicContact CD1-CD1 3.81Å; Y68-L119 HydrophobicContact CE1-CD1 3.65Å; L119-I121 PolarHBondContact O-N 2.82Å; L119-L150 HydrophobicContact CB-CB 4.23Å; L119-L150 HydrophobicContact CB-CD2 4.03Å; L119-L150 HydrophobicContact CB-CG 4.06Å; L119-L150 HydrophobicContact CD1-CD2 4.01Å; L119-L150 HydrophobicContact CD1-CG 4.16Å; L119-L150 PolarHBondContact N-O 3.15Å; L119-L152 HydrophobicContact CD1-CB 3.83Å; L119-L152 HydrophobicContact CG-CB 4.26Å
120	T	57.3	Low	51	Low	74 Å²	74	69.4 Å²	69.4	45%	0.454	37%	0.366	S	S	.	.			trans	-63.8	112.9	167.6	36.8	0	0	0	0	110.5	H122 E123 N124	T120-H122 PolarHBondContact O-N 2.98Å; T120-E123 VanDerWaalsContact CB-OE2 3.22Å; T120-E123 WeakPolarHBondContact CB-OE2 3.34Å; T120-E123 PolarHBondContact O-N 2.97Å; T120-E123 PolarHBondContact OG1-OE2 2.95Å; T120-N124 PolarHBondContact O-ND2 3.46Å
121	I	55	Low	51.4	Low	54 Å²	54	66.5 Å²	66.5	28%	0.277	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.6	-179.2	-62.6	174.6	0	0	0	111.5	L119 L125 I148 L150	L119-I121 PolarHBondContact O-N 2.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.26Å; I121-I148 HydrophobicContact CD1-CB 4.47Å; I121-L150 HydrophobicContact CG1-CB 4.23Å
122	H	48.2	Very low	51.3	Low	162 Å²	162	63.5 Å²	63.5	75%	0.75	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-38.7	-174.3	-132.9	79.2	0	0	0	113.7	T120	T120-H122 PolarHBondContact O-N 2.98Å
123	E	46.5	Very low	51.1	Low	152 Å²	152	64.2 Å²	64.2	71%	0.71	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-26	-175	-66.3	169.2	124.8	0	0	111.8	T120 L125	T120-E123 VanDerWaalsContact CB-OE2 3.22Å; T120-E123 WeakPolarHBondContact CB-OE2 3.34Å; T120-E123 PolarHBondContact O-N 2.97Å; T120-E123 PolarHBondContact OG1-OE2 2.95Å; E123-L125 PolarHBondContact O-N 3.5Å
124	N	48	Very low	50.3	Low	44 Å²	44	64.5 Å²	64.5	24%	0.235	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	14.6	-176.3	-69.5	-83.2	0	0	0	114.1	T120 A126 H127 L128	T120-N124 PolarHBondContact O-ND2 3.46Å; N124-A126 PolarHBondContact O-N 3.27Å; N124-H127 PolarHBondContact O-N 2.93Å; N124-L128 HydrophobicContact CB-CD1 3.97Å; N124-L128 PolarHBondContact O-N 3.37Å
125	L	43.6	Very low	49.2	Very low	72 Å²	72	66.4 Å²	66.4	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-52.9	-33.1	-177.2	-122.9	85.7	0	0	0	113.3	I121 E123 H127 L128 N129 I132	I121-L125 WeakPolarHBondContact O-CD1 3.26Å; E123-L125 PolarHBondContact O-N 3.5Å; L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 2.85Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L125-N129 PolarHBondContact O-N 2.81Å; L125-N129 PolarHBondContact O-ND2 3.25Å; L125-N129 PolarHBondContact O-OD1 3.13Å; L125-I132 HydrophobicContact CD1-CD1 4.23Å; L125-I132 HydrophobicContact CG-CD1 4.21Å
126	A	43.6	Very low	47.9	Very low	79 Å²	79	67.2 Å²	67.2	65%	0.653	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-25.6	178.8	0	0	0	0	0	114.4	N124	N124-A126 PolarHBondContact O-N 3.27Å
127	H	43.7	Very low	46.5	Very low	138 Å²	138	74 Å²	74	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-89.9	-30	170.4	-75.7	-92.4	0	0	0	112.1	N124 L125	N124-H127 PolarHBondContact O-N 2.93Å; L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 2.97Å
128	L	43	Very low	45	Very low	14 Å²	14	74.5 Å²	74.5	7%	0.073	39%	0.393	C	S	.	.	H	α-helix	trans	-91.5	-14	-173	-75.6	151.1	0	0	0	115.3	N124 L125 Y130 L131 I132 L150	N124-L128 HydrophobicContact CB-CD1 3.97Å; N124-L128 PolarHBondContact O-N 3.37Å; L125-L128 PolarHBondContact O-N 2.85Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L128-Y130 PolarHBondContact O-N 3Å; L128-L131 HydrophobicContact CD2-CB 4.35Å; L128-L131 HydrophobicContact CD2-CD1 4.07Å; L128-L131 CarbonylContact O-C 3.59Å; L128-L131 WeakPolarHBondContact O-CA 3.16Å; L128-L131 PolarHBondContact O-N 3.46Å; L128-I132 HydrophobicContact CB-CD1 3.74Å; L128-I132 HydrophobicContact CB-CG1 4.14Å; L128-I132 WeakPolarHBondContact O-CG1 3.23Å; L128-I132 PolarHBondContact O-N 3.08Å; L128-L150 HydrophobicContact CD1-CD2 3.67Å; L128-L150 HydrophobicContact CD2-CD2 4.1Å; L128-L150 HydrophobicContact CG-CD2 4.31Å
129	N	42.2	Very low	43.5	Very low	93 Å²	93	76.9 Å²	76.9	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-54.9	-28.9	-176.7	-82.9	-20.8	0	0	0	113.8	L125 S133	L125-N129 PolarHBondContact O-N 2.81Å; L125-N129 PolarHBondContact O-ND2 3.25Å; L125-N129 PolarHBondContact O-OD1 3.13Å; N129-S133 PolarHBondContact O-N 2.83Å
130	Y	42.6	Very low	42	Very low	105 Å²	105	83.1 Å²	83.1	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-69.6	-48.1	172.3	-115.7	-70.3	0	0	0	112.6	L128 S133 Q258	L128-Y130 PolarHBondContact O-N 3Å; Y130-S133 PolarHBondContact O-N 3.24Å; Y130-S133 PolarHBondContact O-OG 3.03Å; Y130-Q258 HydrophobicContact CE1-CB 4.06Å; Y130-Q258 HydrophobicContact CE1-CG 4.43Å; Y130-Q258 VanDerWaalsContact OH-CD 3.24Å; Y130-Q258 VanDerWaalsContact OH-CG 3.28Å; Y130-Q258 WeakPolarHBondContact OH-CG 3.28Å
131	L	39.4	Very low	40.8	Very low	8 Å²	8	87.2 Å²	87.2	4%	0.042	46%	0.455	C	S	.	.	H	α-helix	trans	-65	-40.1	175.1	-88.2	161.4	0	0	0	113.2	I24 I26 M46 L70 L128 S133 Y134 I135	I24-L131 HydrophobicContact CD1-CD2 3.98Å; I24-L131 HydrophobicContact CG2-CD2 4.21Å; I26-L131 HydrophobicContact CD1-CD1 3.67Å; M46-L131 HydrophobicContact CE-CD2 3.58Å; M46-L131 HydrophobicContact CE-CG 3.66Å; M46-L131 HydrophobicContact SD-CD2 4.36Å; M46-L131 HydrophobicContact SD-CG 3.81Å; L70-L131 HydrophobicContact CD1-CD1 4.44Å; L128-L131 HydrophobicContact CD2-CB 4.35Å; L128-L131 HydrophobicContact CD2-CD1 4.07Å; L128-L131 CarbonylContact O-C 3.59Å; L128-L131 WeakPolarHBondContact O-CA 3.16Å; L128-L131 PolarHBondContact O-N 3.46Å; L131-S133 PolarHBondContact O-N 3.37Å; L131-Y134 WeakPolarHBondContact O-CB 3.44Å; L131-Y134 PolarHBondContact O-N 2.91Å; L131-I135 PolarHBondContact O-N 3.22Å
132	I	40.2	Very low	39.9	Very low	58 Å²	58	89.6 Å²	89.6	30%	0.297	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-30.9	179.9	-68.3	169.1	0	0	0	110.5	L125 L128 Y134 I135 S136	L125-I132 HydrophobicContact CD1-CD1 4.23Å; L125-I132 HydrophobicContact CG-CD1 4.21Å; L128-I132 HydrophobicContact CB-CD1 3.74Å; L128-I132 HydrophobicContact CB-CG1 4.14Å; L128-I132 WeakPolarHBondContact O-CG1 3.23Å; L128-I132 PolarHBondContact O-N 3.08Å; I132-Y134 VanDerWaalsContact C-N 3.26Å; I132-Y134 PolarHBondContact O-N 3.14Å; I132-I135 PolarHBondContact O-N 3.22Å; I132-S136 VanDerWaalsContact O-CB 3.29Å; I132-S136 WeakPolarHBondContact O-CB 3Å; I132-S136 PolarHBondContact O-N 3.36Å; I132-S136 PolarHBondContact O-OG 2.85Å; I132-S136 VanDerWaalsContact O-OG 3.06Å
133	S	38.3	Very low	39.3	Very low	59 Å²	59	87.5 Å²	87.5	41%	0.413	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-31.5	172.8	80.4	0	0	0	0	113.4	N129 Y130 L131 S136 N137	N129-S133 PolarHBondContact O-N 2.83Å; Y130-S133 PolarHBondContact O-N 3.24Å; Y130-S133 PolarHBondContact O-OG 3.03Å; L131-S133 PolarHBondContact O-N 3.37Å; S133-S136 PolarHBondContact O-OG 3.03Å; S133-N137 PolarHBondContact O-ND2 2.9Å
134	Y	36.6	Very low	39.1	Very low	90 Å²	90	82.4 Å²	82.4	35%	0.353	44%	0.439	S	S	.	.	H	α-helix	trans	-74.8	-45.3	175.3	-166.5	-96.7	0	0	0	110.6	L131 I132 N137 I138 F262	L131-Y134 WeakPolarHBondContact O-CB 3.44Å; L131-Y134 PolarHBondContact O-N 2.91Å; I132-Y134 VanDerWaalsContact C-N 3.26Å; I132-Y134 PolarHBondContact O-N 3.14Å; Y134-N137 PolarHBondContact O-N 2.95Å; Y134-I138 HydrophobicContact CD1-CD1 4.24Å; Y134-I138 HydrophobicContact CE1-CD1 4.09Å; Y134-F262 WeakPolarHBondContact OH-CZ 3.42Å
135	I	37.6	Very low	39	Very low	41 Å²	41	88.9 Å²	88.9	21%	0.21	47%	0.465	C	S	.	.	H	α-helix	trans	-69	-34.1	178.7	-61.5	173.1	0	0	0	111.8	L70 L131 I132 N137 I138 I144	L70-I135 HydrophobicContact CD2-CD1 3.92Å; L131-I135 PolarHBondContact O-N 3.22Å; I132-I135 PolarHBondContact O-N 3.22Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 2.78Å; I135-I138 CarbonylContact O-C 3.56Å; I135-I138 WeakPolarHBondContact O-CA 3Å; I135-I138 WeakPolarHBondContact O-CB 3.43Å; I135-I138 PolarHBondContact O-N 2.89Å; I135-I144 HydrophobicContact CG2-CD1 4.23Å; I135-I144 HydrophobicContact CG2-CG2 4.05Å
136	S	35.1	Very low	39.1	Very low	56 Å²	56	91.3 Å²	91.3	39%	0.392	48%	0.475	S	S	.	.	H	α-helix	trans	-72.3	-20.5	179.1	63.7	0	0	0	0	113.9	I132 S133	I132-S136 VanDerWaalsContact O-CB 3.29Å; I132-S136 WeakPolarHBondContact O-CB 3Å; I132-S136 PolarHBondContact O-N 3.36Å; I132-S136 PolarHBondContact O-OG 2.85Å; I132-S136 VanDerWaalsContact O-OG 3.06Å; S133-S136 PolarHBondContact O-OG 3.03Å
137	N	37.5	Very low	39.4	Very low	142 Å²	142	91.9 Å²	91.9	76%	0.759	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.3	166.9	-75.6	-32.1	0	0	0	112.1	S133 Y134 I135	S133-N137 PolarHBondContact O-ND2 2.9Å; Y134-N137 PolarHBondContact O-N 2.95Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 2.78Å
138	I	37.2	Very low	40	Very low	59 Å²	59	86.6 Å²	86.6	30%	0.303	44%	0.443	S	S	.	.	S	Bend	trans	-103.8	78.2	177.1	-53.8	172.3	0	0	0	109	Y134 I135 I144	Y134-I138 HydrophobicContact CD1-CD1 4.24Å; Y134-I138 HydrophobicContact CE1-CD1 4.09Å; I135-I138 CarbonylContact O-C 3.56Å; I135-I138 WeakPolarHBondContact O-CA 3Å; I135-I138 WeakPolarHBondContact O-CB 3.43Å; I135-I138 PolarHBondContact O-N 2.89Å; I138-I144 WeakPolarHBondContact O-CD1 3.38Å
139	N	33.4	Very low	40.8	Very low	92 Å²	92	87.2 Å²	87.2	49%	0.492	45%	0.446	S	S	.	.			trans	73.8	113.9	177.7	-55.6	-71.5	0	0	0	117.6	N141 I142	N139-N141 PolarHBondContact O-N 2.77Å; N139-I142 HydrophobicContact CB-CD1 3.99Å; N139-I142 HydrophobicContact CB-CG1 4Å
140	N	32.2	Very low	41.9	Very low	154 Å²	154	83 Å²	83	82%	0.824	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	6.3	160.8	-79.8	-42.4	0	0	0	114.1
141	N	34	Very low	43	Very low	160 Å²	160	78.3 Å²	78.3	86%	0.856	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	18.8	-167.2	-105.6	29.4	0	0	0	114.5	N139	N139-N141 PolarHBondContact O-N 2.77Å
142	I	35	Very low	44.4	Very low	103 Å²	103	78.9 Å²	78.9	53%	0.528	41%	0.408	S	S	.	.	S	Bend	trans	-125	139.2	173.4	-59.2	175.9	0	0	0	108.3	N139 I144	N139-I142 HydrophobicContact CB-CD1 3.99Å; N139-I142 HydrophobicContact CB-CG1 4Å; I142-I144 HydrophobicContact CB-CD1 4.21Å; I142-I144 HydrophobicContact CB-CG1 3.68Å; I142-I144 HydrophobicContact CG2-CD1 4.49Å; I142-I144 HydrophobicContact CG2-CG1 3.57Å; I142-I144 PolarHBondContact O-N 3.32Å
143	N	36.3	Very low	46	Very low	118 Å²	118	76.1 Å²	76.1	63%	0.631	39%	0.394	S	S	*	.			trans	-74.2	52.5	173.8	-105.1	21.7	0	0	0	112.2	K145 E146	N143-K145 PolarHBondContact O-N 2.79Å; N143-E146 WeakPolarHBondContact CB-OE2 3.45Å; N143-E146 PolarHBondContact ND2-OE1 3.15Å; N143-E146 PolarHBondContact ND2-OE2 3.36Å; N143-E146 PolarHBondContact O-N 3.17Å; N143-E146 VanDerWaalsContact O-N 3.1Å
144	I	42	Very low	47.4	Very low	45 Å²	45	73.6 Å²	73.6	23%	0.231	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-56.1	-30.1	-173.8	-58.8	179	0	0	0	111.7	I135 I138 I142 E146 I148	I135-I144 HydrophobicContact CG2-CD1 4.23Å; I135-I144 HydrophobicContact CG2-CG2 4.05Å; I138-I144 WeakPolarHBondContact O-CD1 3.38Å; I142-I144 HydrophobicContact CB-CD1 4.21Å; I142-I144 HydrophobicContact CB-CG1 3.68Å; I142-I144 HydrophobicContact CG2-CD1 4.49Å; I142-I144 HydrophobicContact CG2-CG1 3.57Å; I142-I144 PolarHBondContact O-N 3.32Å; I144-E146 PolarHBondContact O-N 3.13Å; I144-I148 HydrophobicContact CG2-CD1 3.45Å; I144-I148 VanDerWaalsContact CG2-CD1 3.45Å; I144-I148 HydrophobicContact CG2-CG1 4.18Å; I144-I148 WeakPolarHBondContact O-CG1 3.09Å
145	K	45.1	Very low	49	Very low	180 Å²	180	69.3 Å²	69.3	78%	0.783	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.7	-179.8	-69.9	-175.8	176.6	179.3	0	115	N143	N143-K145 PolarHBondContact O-N 2.79Å
146	E	45.4	Very low	50.5	Low	124 Å²	124	71 Å²	71	58%	0.579	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-92.8	-24.6	-171.4	-67.5	177	153.4	0	0	113.5	R74 N143 I144	R74-E146 WeakPolarHBondContact CD-O 3.2Å; R74-E146 PolarHBondContact NH1-O 3.36Å; N143-E146 WeakPolarHBondContact CB-OE2 3.45Å; N143-E146 PolarHBondContact ND2-OE1 3.15Å; N143-E146 PolarHBondContact ND2-OE2 3.36Å; N143-E146 PolarHBondContact O-N 3.17Å; N143-E146 VanDerWaalsContact O-N 3.1Å; I144-E146 PolarHBondContact O-N 3.13Å
147	N	51.7	Low	51.9	Low	91 Å²	91	73.2 Å²	73.2	49%	0.487	37%	0.371	S	S	.	.	S	Bend	trans	-121	18	-167.5	-149.4	-5.2	0	0	0	115	R74	R74-N147 PolarHBondContact N-O 3.38Å; R74-N147 PolarHBondContact N-OD1 3.03Å; R74-N147 VanDerWaalsContact N-OD1 3.07Å
148	I	55.8	Low	53.3	Low	27 Å²	27	67.1 Å²	67.1	14%	0.138	34%	0.338	C	S	.	.			trans	-113.9	140.5	169.8	-55	-169.8	0	0	0	108.9	L70 I71 T72 I121 I144	L70-I148 HydrophobicContact CB-CG2 4.39Å; L70-I148 HydrophobicContact CD2-CG2 4.25Å; L70-I148 HydrophobicContact CG-CG2 4.49Å; I71-I148 WeakPolarHBondContact O-CA 3.48Å; T72-I148 HydrophobicContact CG2-CB 4.46Å; T72-I148 HydrophobicContact CG2-CD1 4.25Å; T72-I148 HydrophobicContact CG2-CG1 3.66Å; I121-I148 HydrophobicContact CD1-CB 4.47Å; I144-I148 HydrophobicContact CG2-CD1 3.45Å; I144-I148 VanDerWaalsContact CG2-CD1 3.45Å; I144-I148 HydrophobicContact CG2-CG1 4.18Å; I144-I148 WeakPolarHBondContact O-CG1 3.09Å
149	N	59.6	Low	54.7	Low	26 Å²	26	67 Å²	67	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.8	160.5	-95.1	-15.5	0	0	0	110.3	I71 R74	I71-N149 PolarHBondContact N-O 2.69Å; I71-N149 PolarHBondContact O-N 3.16Å; I71-N149 VanDerWaalsContact O-N 3.1Å; R74-N149 HydrophobicContact CG-CB 4.06Å; R74-N149 WeakPolarHBondContact CG-ND2 3.46Å; R74-N149 WeakPolarHBondContact CG-OD1 3.23Å; R74-N149 PolarHBondContact NE-OD1 2.92Å; R74-N149 PolarHBondContact O-ND2 2.96Å
150	L	64.5	Low	56.2	Low	6 Å²	6	64.1 Å²	64.1	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.1	169.8	177.9	68.7	0	0	0	108.9	A69 L70 L119 I121 L128	A69-L150 CarbonylContact O-C 3.56Å; A69-L150 WeakPolarHBondContact O-CA 3.29Å; L70-L150 HydrophobicContact CD1-CD1 3.58Å; L70-L150 HydrophobicContact CG-CD1 3.91Å; L119-L150 HydrophobicContact CB-CB 4.23Å; L119-L150 HydrophobicContact CB-CD2 4.03Å; L119-L150 HydrophobicContact CB-CG 4.06Å; L119-L150 HydrophobicContact CD1-CD2 4.01Å; L119-L150 HydrophobicContact CD1-CG 4.16Å; L119-L150 PolarHBondContact N-O 3.15Å; I121-L150 HydrophobicContact CG1-CB 4.23Å; L128-L150 HydrophobicContact CD1-CD2 3.67Å; L128-L150 HydrophobicContact CD2-CD2 4.1Å; L128-L150 HydrophobicContact CG-CD2 4.31Å
151	W	65.4	Low	57.9	Low	5 Å²	5	61.7 Å²	61.7	2%	0.019	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.9	-174.8	-61.7	88.2	0	0	0	111.8	Y68 A69 I78 Y100 I116 Q117 I153	Y68-W151 CarbonylContact C-O 3.53Å; Y68-W151 WeakPolarHBondContact CA-O 3.38Å; A69-W151 HydrophobicContact CB-CB 4.36Å; A69-W151 PolarHBondContact N-O 3.31Å; A69-W151 PolarHBondContact O-N 3.27Å; I78-W151 HydrophobicContact CD1-CB 3.79Å; I78-W151 HydrophobicContact CD1-CD2 3.47Å; I78-W151 VanDerWaalsContact CD1-CD2 3.47Å; I78-W151 HydrophobicContact CD1-CE3 4.11Å; I78-W151 HydrophobicContact CD1-CG 3.34Å; I78-W151 HydrophobicContact CD1-CZ2 4.31Å; I78-W151 HydrophobicContact CG1-CD2 4.39Å; I78-W151 HydrophobicContact CG1-CZ2 4.41Å; Y100-W151 AromaticContact CE1-CH2 3.56Å; Y100-W151 HydrophobicContact CE1-CH2 3.56Å; Y100-W151 AromaticContact CE1-CZ3 3.78Å; Y100-W151 HydrophobicContact CE1-CZ3 3.78Å; Y100-W151 AromaticContact CZ-CH2 3.91Å; Y100-W151 WeakPolarHBondContact OH-CH2 3.42Å; I116-W151 HydrophobicContact CG2-CD2 4.41Å; I116-W151 HydrophobicContact CG2-CE3 3.54Å; I116-W151 HydrophobicContact CG2-CZ3 3.9Å; Q117-W151 CarbonylContact O-C 3.59Å; Q117-W151 WeakPolarHBondContact O-CA 3.18Å; W151-I153 HydrophobicContact CB-CG1 4.47Å
152	L	70.7	Confident	59.4	Low	20 Å²	20	55.3 Å²	55.3	11%	0.105	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.8	170.1	175.9	60.1	0	0	0	109.7	H66 L67 Y68 I116 Q117 L119	H66-L152 HydrophobicContact CB-CD1 3.9Å; L67-L152 CarbonylContact O-C 3.43Å; Y68-L152 HydrophobicContact CD1-CD1 4.16Å; Y68-L152 HydrophobicContact CD2-CD1 4.13Å; Y68-L152 HydrophobicContact CE1-CD1 3.93Å; Y68-L152 HydrophobicContact CE2-CD1 3.89Å; Y68-L152 HydrophobicContact CG-CD1 4.27Å; I116-L152 CarbonylContact C-O 3.57Å; I116-L152 WeakPolarHBondContact CA-O 3.27Å; Q117-L152 HydrophobicContact CB-CB 4.44Å; Q117-L152 PolarHBondContact N-O 3.1Å; Q117-L152 PolarHBondContact O-N 3.22Å; L119-L152 HydrophobicContact CD1-CB 3.83Å; L119-L152 HydrophobicContact CG-CB 4.26Å
153	I	72.1	Confident	61.1	Low	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	95.4	-170.7	-60.2	174.8	0	0	0	107.7	H66 L67 A69 I78 L80 K115 I116 W151 V155 I166	H66-I153 CarbonylContact C-O 3.56Å; H66-I153 WeakPolarHBondContact CA-O 3.3Å; L67-I153 HydrophobicContact CB-CB 3.87Å; L67-I153 HydrophobicContact CB-CG2 4.26Å; L67-I153 PolarHBondContact N-O 3.12Å; L67-I153 WeakPolarHBondContact O-CB 3.15Å; L67-I153 PolarHBondContact O-N 3.29Å; A69-I153 HydrophobicContact CB-CD1 3.77Å; I78-I153 HydrophobicContact CD1-CD1 4.34Å; I78-I153 HydrophobicContact CG2-CD1 4.24Å; L80-I153 HydrophobicContact CD1-CG2 3.7Å; L80-I153 HydrophobicContact CD2-CG2 4.15Å; L80-I153 HydrophobicContact CG-CG2 4.2Å; K115-I153 CarbonylContact O-C 3.53Å; K115-I153 WeakPolarHBondContact O-CA 3.37Å; I116-I153 HydrophobicContact CG1-CG1 4.15Å; I116-I153 HydrophobicContact CG1-CG2 4.23Å; I116-I153 HydrophobicContact CG2-CG1 4.24Å; W151-I153 HydrophobicContact CB-CG1 4.47Å; I153-V155 HydrophobicContact CG2-CG2 4.27Å; I153-I166 HydrophobicContact CD1-CD1 4.4Å
154	S	69.5	Low	62.9	Low	6 Å²	6	45.9 Å²	45.9	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.8	179.4	-46.9	0	0	0	0	109.9	F65 H66 A114 K115 Y156	F65-S154 CarbonylContact O-C 3.52Å; F65-S154 WeakPolarHBondContact O-CA 3.31Å; H66-S154 PolarHBondContact CE1-OG 3.28Å; H66-S154 PolarHBondContact ND1-OG 2.88Å; A114-S154 CarbonylContact C-O 3.36Å; A114-S154 WeakPolarHBondContact CA-O 3.4Å; K115-S154 PolarHBondContact N-O 2.03Å; K115-S154 PolarHBondContact O-N 3.37Å; S154-Y156 WeakPolarHBondContact O-CD2 3.47Å; S154-Y156 WeakPolarHBondContact O-CE2 3.23Å
155	V	69.5	Low	64.4	Low	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.6	176	-171.4	0	0	0	0	109.4	K64 F65 L67 L80 A114 I153 F158 L164	K64-V155 CarbonylContact C-O 3.56Å; K64-V155 VanDerWaalsContact CA-O 3.25Å; K64-V155 WeakPolarHBondContact CA-O 3.43Å; K64-V155 WeakPolarHBondContact CG-O 3.23Å; F65-V155 HydrophobicContact CD1-CB 4.23Å; F65-V155 HydrophobicContact CD2-CB 4.21Å; F65-V155 HydrophobicContact CD2-CG2 4.34Å; F65-V155 HydrophobicContact CE1-CB 3.86Å; F65-V155 HydrophobicContact CE1-CG1 3.91Å; F65-V155 HydrophobicContact CE2-CB 3.84Å; F65-V155 HydrophobicContact CE2-CG1 4.47Å; F65-V155 HydrophobicContact CE2-CG2 3.75Å; F65-V155 HydrophobicContact CG-CB 4.4Å; F65-V155 HydrophobicContact CZ-CB 3.66Å; F65-V155 HydrophobicContact CZ-CG1 3.81Å; F65-V155 HydrophobicContact CZ-CG2 3.91Å; F65-V155 PolarHBondContact N-O 2.7Å; F65-V155 PolarHBondContact O-N 2.82Å; L67-V155 HydrophobicContact CD1-CG2 4.45Å; L80-V155 HydrophobicContact CD1-CG2 3.92Å; A114-V155 HydrophobicContact CB-CG2 4.38Å; I153-V155 HydrophobicContact CG2-CG2 4.27Å; V155-F158 HydrophobicContact CG1-CB 4.14Å; V155-F158 HydrophobicContact CG1-CD2 3.75Å; V155-F158 HydrophobicContact CG1-CG 4.23Å; V155-L164 HydrophobicContact CG2-CD2 4.39Å
156	Y	67.8	Low	65.7	Low	75 Å²	75	35.6 Å²	35.6	29%	0.294	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.3	-173.8	-62	-103.2	0	0	0	111.6	P63 K64 H113 K115 S154 F158	P63-Y156 WeakPolarHBondContact O-CA 3.37Å; K64-Y156 HydrophobicContact CB-CD1 4.32Å; K64-Y156 HydrophobicContact CD-CD1 4.19Å; K64-Y156 HydrophobicContact CD-CE1 3.72Å; K64-Y156 VanDerWaalsContact CE-CZ 3.46Å; K64-Y156 WeakPolarHBondContact CE-OH 3.44Å; K64-Y156 HydrophobicContact CG-CD1 3.84Å; K64-Y156 HydrophobicContact CG-CE1 3.86Å; K64-Y156 HydrophobicContact CG-CG 4.33Å; H113-Y156 PolarHBondContact O-N 2.88Å; K115-Y156 HydrophobicContact CB-CE2 4.31Å; S154-Y156 WeakPolarHBondContact O-CD2 3.47Å; S154-Y156 WeakPolarHBondContact O-CE2 3.23Å; Y156-F158 VanDerWaalsContact C-N 3.25Å; Y156-F158 PolarHBondContact O-N 3.07Å
157	N	65	Low	66.9	Low	103 Å²	103	29.8 Å²	29.8	55%	0.551	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	48.7	40.3	175.7	-61.7	-34.3	0	0	0	114.6	F61 I62 P63	F61-N157 WeakPolarHBondContact CD1-O 3.3Å; I62-N157 CarbonylContact O-C 3.59Å; I62-N157 VanDerWaalsContact O-CA 3.28Å; I62-N157 WeakPolarHBondContact O-CA 3.35Å; I62-N157 PolarHBondContact O-N 3.19Å; I62-N157 VanDerWaalsContact O-N 3.16Å; P63-N157 PolarHBondContact O-N 3.11Å
158	F	67.5	Low	67.6	Low	14 Å²	14	25.7 Å²	25.7	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.8	-173.8	-162	-99.8	0	0	0	112.1	F61 I62 F65 A82 I94 V155 Y156 M162 L164 L182	F61-F158 WeakPolarHBondContact CA-O 3.45Å; I62-F158 PolarHBondContact N-O 3.36Å; I62-F158 PolarHBondContact O-N 2.99Å; F65-F158 HydrophobicContact CE1-CB 3.72Å; F65-F158 HydrophobicContact CE1-CD1 4.25Å; F65-F158 AromaticContact CE1-CG 3.98Å; F65-F158 HydrophobicContact CE1-CG 3.98Å; F65-F158 HydrophobicContact CZ-CG 4.34Å; A82-F158 HydrophobicContact CB-CE2 4.16Å; A82-F158 HydrophobicContact CB-CZ 4.18Å; I94-F158 HydrophobicContact CD1-CD2 4.37Å; I94-F158 HydrophobicContact CD1-CE2 3.75Å; V155-F158 HydrophobicContact CG1-CB 4.14Å; V155-F158 HydrophobicContact CG1-CD2 3.75Å; V155-F158 HydrophobicContact CG1-CG 4.23Å; Y156-F158 VanDerWaalsContact C-N 3.25Å; Y156-F158 PolarHBondContact O-N 3.07Å; F158-M162 HydrophobicContact CE1-CB 3.57Å; F158-M162 WeakPolarHBondContact CE1-O 3.37Å; F158-M162 HydrophobicContact CE2-CB 4.36Å; F158-M162 HydrophobicContact CZ-CB 3.47Å; F158-M162 VanDerWaalsContact CZ-CB 3.47Å; F158-M162 HydrophobicContact CZ-CG 4.43Å; F158-L164 HydrophobicContact CD2-CD1 4.3Å; F158-L164 HydrophobicContact CE2-CD1 3.47Å; F158-L164 VanDerWaalsContact CE2-CD1 3.47Å; F158-L164 HydrophobicContact CZ-CB 4.28Å; F158-L164 HydrophobicContact CZ-CD1 3.7Å; F158-L182 HydrophobicContact CD1-CD1 3.64Å; F158-L182 HydrophobicContact CE1-CD1 3.37Å; F158-L182 HydrophobicContact CZ-CD1 4.38Å
159	L	66.7	Low	68.1	Low	57 Å²	57	25.6 Å²	25.6	30%	0.298	13%	0.133	S	C	.	.			trans	-81	127.9	176.6	-79.3	159.9	0	0	0	110.3	F61 D161 M162	F61-L159 HydrophobicContact CD1-CD2 3.89Å; F61-L159 HydrophobicContact CD1-CG 4.07Å; F61-L159 HydrophobicContact CE1-CD2 3.51Å; F61-L159 HydrophobicContact CE1-CG 3.89Å; F61-L159 HydrophobicContact CZ-CD2 4.39Å; L159-D161 VanDerWaalsContact C-N 3.25Å; L159-D161 PolarHBondContact O-N 2.95Å; L159-M162 HydrophobicContact CB-CB 4.43Å; L159-M162 HydrophobicContact CB-CG 3.82Å; L159-M162 HydrophobicContact CD1-CE 4.18Å; L159-M162 HydrophobicContact CD1-CG 4.43Å; L159-M162 WeakPolarHBondContact O-CB 3.31Å; L159-M162 PolarHBondContact O-N 3.14Å
160	P	65.2	Low	68.2	Low	32 Å²	32	24.8 Å²	24.8	21%	0.208	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.1	-176.9	29	-35.5	0	0	0	114.2	Y54 M162	Y54-P160 HydrophobicContact CE1-CB 4.23Å; Y54-P160 VanDerWaalsContact OH-CB 3.25Å; Y54-P160 WeakPolarHBondContact OH-CB 3.35Å; P160-M162 VanDerWaalsContact C-N 3.31Å
161	D	66.4	Low	67.9	Low	102 Å²	102	27.6 Å²	27.6	55%	0.545	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5	176.3	-56.2	-68.8	0	0	0	113.5	L159	L159-D161 VanDerWaalsContact C-N 3.25Å; L159-D161 PolarHBondContact O-N 2.95Å
162	M	66.1	Low	67.7	Low	27 Å²	27	32.9 Å²	32.9	13%	0.133	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.5	171.6	-68.7	-83.8	-178.8	0	0	111	A82 H84 I92 F158 L159 P160	A82-M162 HydrophobicContact CB-CB 4.34Å; A82-M162 HydrophobicContact CB-CG 4.45Å; A82-M162 HydrophobicContact CB-SD 3.88Å; H84-M162 HydrophobicContact CB-CE 4.01Å; H84-M162 HydrophobicContact CB-SD 3.77Å; H84-M162 VanDerWaalsContact CD2-CE 3.5Å; H84-M162 WeakPolarHBondContact CD2-CE 3.49Å; H84-M162 VanDerWaalsContact CD2-SD 3.54Å; I92-M162 HydrophobicContact CD1-CE 3.75Å; I92-M162 HydrophobicContact CD1-SD 4.17Å; F158-M162 HydrophobicContact CE1-CB 3.57Å; F158-M162 WeakPolarHBondContact CE1-O 3.37Å; F158-M162 HydrophobicContact CE2-CB 4.36Å; F158-M162 HydrophobicContact CZ-CB 3.47Å; F158-M162 VanDerWaalsContact CZ-CB 3.47Å; F158-M162 HydrophobicContact CZ-CG 4.43Å; L159-M162 HydrophobicContact CB-CB 4.43Å; L159-M162 HydrophobicContact CB-CG 3.82Å; L159-M162 HydrophobicContact CD1-CE 4.18Å; L159-M162 HydrophobicContact CD1-CG 4.43Å; L159-M162 WeakPolarHBondContact O-CB 3.31Å; L159-M162 PolarHBondContact O-N 3.14Å; P160-M162 VanDerWaalsContact C-N 3.31Å
163	K	71.6	Confident	67.2	Low	22 Å²	22	32.5 Å²	32.5	10%	0.096	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.6	166.5	-55.7	-174.2	-177.9	-133.7	0	110	A82 I83 L179 D181	A82-K163 CarbonylContact C-O 3.6Å; A82-K163 VanDerWaalsContact CA-O 3.25Å; A82-K163 WeakPolarHBondContact CA-O 3.4Å; I83-K163 PolarHBondContact N-O 2.94Å; I83-K163 PolarHBondContact O-N 2.87Å; K163-L179 HydrophobicContact CB-CB 4.46Å; K163-L179 HydrophobicContact CD-CB 4.28Å; K163-L179 HydrophobicContact CD-CD1 4.09Å; K163-D181 VanDerWaalsContact CE-OD1 3.26Å; K163-D181 WeakPolarHBondContact CE-OD1 3.14Å; K163-D181 IonicContact NZ-OD1 2.88Å; K163-D181 PolarHBondContact NZ-OD1 2.89Å
164	L	73	Confident	66.9	Low	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.5	178.1	-159.2	79.7	0	0	0	111.8	F65 L67 L80 I94 V155 F158 I180	F65-L164 HydrophobicContact CE2-CD2 4.13Å; F65-L164 HydrophobicContact CZ-CD2 4.25Å; L67-L164 HydrophobicContact CD1-CD2 3.19Å; L80-L164 HydrophobicContact CD2-CD1 4.34Å; L80-L164 HydrophobicContact CD2-CD2 3.98Å; L80-L164 HydrophobicContact CD2-CG 4.19Å; I94-L164 HydrophobicContact CD1-CD1 3.43Å; I94-L164 VanDerWaalsContact CD1-CD1 3.43Å; V155-L164 HydrophobicContact CG2-CD2 4.39Å; F158-L164 HydrophobicContact CD2-CD1 4.3Å; F158-L164 HydrophobicContact CE2-CD1 3.47Å; F158-L164 VanDerWaalsContact CE2-CD1 3.47Å; F158-L164 HydrophobicContact CZ-CB 4.28Å; F158-L164 HydrophobicContact CZ-CD1 3.7Å; L164-I180 HydrophobicContact CB-CB 4.26Å; L164-I180 PolarHBondContact N-O 3.05Å; L164-I180 PolarHBondContact O-N 3.39Å
165	L	73	Confident	66.7	Low	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.9	178.5	158.4	63.1	0	0	0	108.4	G81 I91 L167 L179	G81-L165 PolarHBondContact N-O 2.78Å; G81-L165 PolarHBondContact O-N 2.75Å; G81-L165 VanDerWaalsContact O-O 3.14Å; I91-L165 HydrophobicContact CD1-CD2 3.66Å; I91-L165 HydrophobicContact CG1-CD2 3.8Å; I91-L165 HydrophobicContact CG2-CD2 3.98Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD1-CG 4.26Å; L165-L167 HydrophobicContact CD2-CD1 4.35Å; L165-L167 HydrophobicContact CD2-CD2 4.23Å; L165-L167 HydrophobicContact CD2-CG 4.19Å; L165-L167 HydrophobicContact CG-CD2 4.33Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L165-L179 HydrophobicContact CB-CD2 4.23Å
166	I	73.5	Confident	66.5	Low	7 Å²	7	34.1 Å²	34.1	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	170.3	-63.6	162.7	0	0	0	108	C25 L67 I78 L80 I153 S177 I180	C25-I166 HydrophobicContact CB-CD1 4.3Å; C25-I166 WeakPolarHBondContact SG-CD1 3.21Å; L67-I166 HydrophobicContact CD1-CD1 4.4Å; I78-I166 HydrophobicContact CG2-CG2 4.06Å; L80-I166 HydrophobicContact CD2-CG1 3.71Å; I153-I166 HydrophobicContact CD1-CD1 4.4Å; I166-S177 PolarHBondContact N-OG 3.26Å; I166-S177 PolarHBondContact O-N 3.23Å; I166-S177 PolarHBondContact O-OG 3.11Å; I166-I180 HydrophobicContact CD1-CD1 4.29Å
167	L	69.6	Low	66.5	Low	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.3	177.3	-71.5	166.8	0	0	0	109	I78 Q79 Y93 L165 T174 V175	I78-L167 CarbonylContact C-O 3.58Å; I78-L167 WeakPolarHBondContact CA-O 3.3Å; Q79-L167 HydrophobicContact CB-CB 4.27Å; Q79-L167 PolarHBondContact N-O 3.22Å; Q79-L167 PolarHBondContact O-N 3.1Å; Y93-L167 HydrophobicContact CD1-CD1 4.34Å; Y93-L167 HydrophobicContact CE1-CD1 3.49Å; Y93-L167 VanDerWaalsContact CE1-CD1 3.49Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD1-CG 4.26Å; L165-L167 HydrophobicContact CD2-CD1 4.35Å; L165-L167 HydrophobicContact CD2-CD2 4.23Å; L165-L167 HydrophobicContact CD2-CG 4.19Å; L165-L167 HydrophobicContact CG-CD2 4.33Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L167-T174 HydrophobicContact CB-CG2 4Å; L167-T174 HydrophobicContact CD2-CG2 4.03Å; L167-V175 WeakPolarHBondContact CA-O 3.45Å
168	A	67.1	Low	66.5	Low	6 Å²	6	28.6 Å²	28.6	5%	0.05	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.2	179.3	0	0	0	0	0	110.2	I71 T77 T174 V175	I71-A168 HydrophobicContact CD1-CB 4.15Å; I71-A168 HydrophobicContact CG2-CB 4.19Å; T77-A168 CarbonylContact O-C 3.55Å; T77-A168 VanDerWaalsContact O-CA 3.3Å; T77-A168 WeakPolarHBondContact O-CA 3.44Å; A168-T174 WeakPolarHBondContact O-CA 3.4Å; A168-V175 PolarHBondContact N-O 2.81Å; A168-V175 PolarHBondContact O-N 3.45Å
169	T	65.2	Low	66.4	Low	25 Å²	25	28.9 Å²	28.9	15%	0.153	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	-176.3	-43.2	0	0	0	0	111.3	A76 T77 T174	A76-T169 CarbonylContact C-O 3.47Å; A76-T169 VanDerWaalsContact CA-O 3.23Å; A76-T169 WeakPolarHBondContact CA-O 3.47Å; T77-T169 PolarHBondContact N-O 3.38Å; T77-T169 PolarHBondContact O-N 3.04Å; T77-T169 VanDerWaalsContact OG1-CB 3.22Å; T77-T169 WeakPolarHBondContact OG1-CB 3.28Å; T77-T169 PolarHBondContact OG1-OG1 3Å; T169-T174 WeakPolarHBondContact OG1-CG2 3.38Å
170	T	62.9	Low	66.5	Low	9 Å²	9	26.4 Å²	26.4	6%	0.055	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	171.9	178.1	73.3	0	0	0	0	110.7	F21 P73 A76 Y172 G173	F21-T170 HydrophobicContact CE1-CG2 4.24Å; P73-T170 HydrophobicContact CG-CG2 4.48Å; A76-T170 HydrophobicContact CB-CG2 4.29Å; T170-Y172 PolarHBondContact O-N 2.9Å; T170-Y172 VanDerWaalsContact O-N 3.17Å; T170-Y172 PolarHBondContact OG1-N 3.12Å; T170-Y172 VanDerWaalsContact OG1-N 3.13Å; T170-G173 PolarHBondContact N-O 3.18Å; T170-G173 PolarHBondContact O-N 2.88Å; T170-G173 VanDerWaalsContact O-N 3.15Å; T170-G173 PolarHBondContact OG1-N 3.39Å; T170-G173 PolarHBondContact OG1-O 3.24Å
171	N	58.8	Low	66.4	Low	64 Å²	64	25.6 Å²	25.6	34%	0.342	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.4	170.4	65.3	-59	0	0	0	113.7
172	Y	59.5	Low	66.3	Low	116 Å²	116	21.4 Å²	21.4	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.3	176.6	-55.1	-69.9	0	0	0	113.7	T170 G552 Y585	T170-Y172 PolarHBondContact O-N 2.9Å; T170-Y172 VanDerWaalsContact O-N 3.17Å; T170-Y172 PolarHBondContact OG1-N 3.12Å; T170-Y172 VanDerWaalsContact OG1-N 3.13Å; Y172-G552 WeakPolarHBondContact O-CA 3.48Å; Y172-Y585 HydrophobicContact CD1-CE1 4.26Å; Y172-Y585 HydrophobicContact CD1-CE2 4.44Å; Y172-Y585 AromaticContact CD1-CZ 3.85Å; Y172-Y585 WeakPolarHBondContact O-CE2 3.48Å
173	G	61.9	Low	66.3	Low	13 Å²	13	22.3 Å²	22.3	13%	0.134	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.4	179.2	-173.5	0	0	0	0	0	113.2	T170 N521	T170-G173 PolarHBondContact N-O 3.18Å; T170-G173 PolarHBondContact O-N 2.88Å; T170-G173 VanDerWaalsContact O-N 3.15Å; T170-G173 PolarHBondContact OG1-N 3.39Å; T170-G173 PolarHBondContact OG1-O 3.24Å; G173-N521 WeakPolarHBondContact CA-OD1 3.49Å
174	T	64.5	Low	66	Low	21 Å²	21	23.6 Å²	23.6	13%	0.129	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.3	-179.3	-33.2	0	0	0	0	111.8	L167 A168 T169 N521	L167-T174 HydrophobicContact CB-CG2 4Å; L167-T174 HydrophobicContact CD2-CG2 4.03Å; A168-T174 WeakPolarHBondContact O-CA 3.4Å; T169-T174 WeakPolarHBondContact OG1-CG2 3.38Å; T174-N521 VanDerWaalsContact CB-C 3.42Å; T174-N521 WeakPolarHBondContact CB-O 3.4Å; T174-N521 PolarHBondContact OG1-O 2.72Å
175	V	65.1	Low	65.9	Low	18 Å²	18	24.4 Å²	24.4	11%	0.109	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.5	175.2	-176.6	0	0	0	0	109.9	L167 A168 I553 Q555 K583	L167-V175 WeakPolarHBondContact CA-O 3.45Å; A168-V175 PolarHBondContact N-O 2.81Å; A168-V175 PolarHBondContact O-N 3.45Å; V175-I553 HydrophobicContact CG2-CD1 3.51Å; V175-Q555 VanDerWaalsContact CA-OE1 3.31Å; V175-K583 HydrophobicContact CG1-CD 4.49Å
176	S	67	Low	65.8	Low	2 Å²	2	27.2 Å²	27.2	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.5	167.6	57.9	0	0	0	0	112.2	Q555 K583	S176-Q555 PolarHBondContact O-NE2 3.09Å; S176-Q555 VanDerWaalsContact O-NE2 3.17Å; S176-Q555 VanDerWaalsContact OG-CD 3.3Å; S176-Q555 PolarHBondContact OG-NE2 2.82Å; S176-Q555 PolarHBondContact OG-OE1 3.09Å; S176-K583 PolarHBondContact O-NZ 2.77Å
177	S	67.1	Low	66.1	Low	20 Å²	20	28 Å²	28	14%	0.14	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-65.2	173	156.7	71.8	0	0	0	0	110.8	I166	I166-S177 PolarHBondContact N-OG 3.26Å; I166-S177 PolarHBondContact O-N 3.23Å; I166-S177 PolarHBondContact O-OG 3.11Å
178	H	64.3	Low	66.5	Low	42 Å²	42	30.2 Å²	30.2	19%	0.194	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.6	161.5	158.4	-72	-104.7	0	0	0	110.3	D50 R263 N581	D50-H178 WeakPolarHBondContact OD1-CB 3.34Å; D50-H178 IonicContact OD1-CG 3.8Å; H178-R263 PolarHBondContact CD2-NH2 3.24Å; H178-R263 VanDerWaalsContact CE1-CZ 3.44Å; H178-R263 PolarHBondContact CE1-NH1 2.79Å; H178-R263 PolarHBondContact CE1-NH2 2.9Å; H178-R263 PolarHBondContact ND1-NH2 3.45Å; H178-R263 VanDerWaalsContact ND1-NH2 3.18Å; H178-R263 PolarHBondContact NE2-NH1 3.33Å; H178-R263 VanDerWaalsContact NE2-NH1 3.13Å; H178-R263 PolarHBondContact NE2-NH2 3.27Å; H178-N581 PolarHBondContact CD2-ND2 2.91Å; H178-N581 VanDerWaalsContact CE1-CB 3.47Å; H178-N581 WeakPolarHBondContact CE1-CB 3.28Å; H178-N581 PolarHBondContact CE1-ND2 2.96Å; H178-N581 VanDerWaalsContact CE1-ND2 3.31Å; H178-N581 PolarHBondContact NE2-ND2 3.44Å
179	L	65.4	Low	67.2	Low	20 Å²	20	33.9 Å²	33.9	11%	0.105	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-73.9	128.3	174.7	-64.2	175.3	0	0	0	109.8	I83 K163 L165 I515 M557	I83-L179 HydrophobicContact CD1-CD1 4.45Å; I83-L179 HydrophobicContact CD1-CD2 3.63Å; I83-L179 HydrophobicContact CG1-CD2 4.2Å; K163-L179 HydrophobicContact CB-CB 4.46Å; K163-L179 HydrophobicContact CD-CB 4.28Å; K163-L179 HydrophobicContact CD-CD1 4.09Å; L165-L179 HydrophobicContact CB-CD2 4.23Å; L179-I515 HydrophobicContact CD1-CD1 4.04Å; L179-M557 HydrophobicContact CD1-CE 3.59Å; L179-M557 HydrophobicContact CD2-CE 4.14Å; L179-M557 HydrophobicContact CG-CE 3.63Å
180	I	68.6	Low	68.1	Low	4 Å²	4	34.4 Å²	34.4	2%	0.021	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-98.7	103.6	179	-47.5	176.7	0	0	0	107.5	I49 D50 I52 L67 L164 I166	I49-I180 HydrophobicContact CG2-CG2 4.35Å; D50-I180 WeakPolarHBondContact O-CA 3.27Å; I52-I180 HydrophobicContact CD1-CG2 3.59Å; I52-I180 HydrophobicContact CG1-CG2 3.63Å; L67-I180 HydrophobicContact CD2-CD1 4.07Å; L164-I180 HydrophobicContact CB-CB 4.26Å; L164-I180 PolarHBondContact N-O 3.05Å; L164-I180 PolarHBondContact O-N 3.39Å; I166-I180 HydrophobicContact CD1-CD1 4.29Å
181	D	63	Low	68.9	Low	16 Å²	16	36.2 Å²	36.2	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	151.8	168.9	-80.8	-12	0	0	0	109.4	D50 R51 I52 K163 K183 Q561	D50-D181 PolarHBondContact O-N 2.83Å; R51-D181 CarbonylContact C-O 3.6Å; R51-D181 WeakPolarHBondContact CA-O 3.46Å; R51-D181 HydrophobicContact CG-CB 4.27Å; I52-D181 PolarHBondContact N-O 2.82Å; K163-D181 VanDerWaalsContact CE-OD1 3.26Å; K163-D181 WeakPolarHBondContact CE-OD1 3.14Å; K163-D181 IonicContact NZ-OD1 2.88Å; K163-D181 PolarHBondContact NZ-OD1 2.89Å; D181-K183 WeakPolarHBondContact OD2-CE 3.22Å; D181-K183 IonicContact OD2-NZ 2.65Å; D181-K183 PolarHBondContact OD2-NZ 2.92Å; D181-Q561 VanDerWaalsContact CG-NE2 3.33Å; D181-Q561 PolarHBondContact OD1-NE2 3.5Å; D181-Q561 VanDerWaalsContact OD1-NE2 3.09Å; D181-Q561 PolarHBondContact OD2-NE2 2.88Å
182	L	65.8	Low	69.7	Low	13 Å²	13	39.2 Å²	39.2	7%	0.068	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.3	160.3	-64.4	108.2	0	0	0	110.4	I52 I62 F65 F158	I52-L182 HydrophobicContact CB-CD2 3.77Å; I52-L182 HydrophobicContact CB-CG 3.97Å; I52-L182 HydrophobicContact CD1-CD2 3.81Å; I52-L182 HydrophobicContact CD1-CG 4.12Å; I52-L182 HydrophobicContact CG1-CD2 4.39Å; I52-L182 HydrophobicContact CG2-CD2 3.83Å; I52-L182 CarbonylContact O-C 3.58Å; I52-L182 WeakPolarHBondContact O-CA 3.47Å; I62-L182 HydrophobicContact CD1-CB 4.04Å; I62-L182 HydrophobicContact CD1-CD2 3.59Å; I62-L182 HydrophobicContact CD1-CG 4.34Å; F65-L182 HydrophobicContact CD1-CD2 4.26Å; F65-L182 HydrophobicContact CE1-CD2 3.8Å; F65-L182 HydrophobicContact CZ-CD1 4.49Å; F65-L182 HydrophobicContact CZ-CD2 3.97Å; F158-L182 HydrophobicContact CD1-CD1 3.64Å; F158-L182 HydrophobicContact CE1-CD1 3.37Å; F158-L182 HydrophobicContact CZ-CD1 4.38Å
183	K	64.9	Low	70.6	Confident	47 Å²	47	37.6 Å²	37.6	20%	0.204	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.3	-173.8	-66.4	-176.7	179.9	162.9	0	111.4	R51 I52 Y53 Y54 D181	R51-K183 VanDerWaalsContact CZ-NZ 3.31Å; I52-K183 PolarHBondContact O-N 3.31Å; Y53-K183 CarbonylContact C-O 3.46Å; Y53-K183 VanDerWaalsContact CA-O 3.26Å; Y53-K183 WeakPolarHBondContact CA-O 3.5Å; Y53-K183 HydrophobicContact CD1-CB 3.84Å; Y53-K183 HydrophobicContact CE1-CB 3.71Å; Y53-K183 HydrophobicContact CE1-CD 4.36Å; Y54-K183 WeakPolarHBondContact CD1-O 3.35Å; Y54-K183 PolarHBondContact N-O 2.87Å; D181-K183 WeakPolarHBondContact OD2-CE 3.22Å; D181-K183 IonicContact OD2-NZ 2.65Å; D181-K183 PolarHBondContact OD2-NZ 2.92Å
184	T	65.7	Low	71.5	Confident	49 Å²	49	41.7 Å²	41.7	30%	0.301	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.1	173.7	43.2	0	0	0	0	110.8	Y54	Y54-T184 HydrophobicContact CE1-CG2 3.92Å; Y54-T184 HydrophobicContact CE2-CG2 3.92Å; Y54-T184 VanDerWaalsContact CZ-CG2 3.47Å; Y54-T184 CarbonylContact O-C 3.48Å; Y54-T184 WeakPolarHBondContact O-CA 3.49Å; Y54-T184 WeakPolarHBondContact OH-CG2 3.32Å
185	S	70.8	Confident	72.5	Confident	17 Å²	17	44 Å²	44	12%	0.119	27%	0.266	C	S	.	.			trans	-73.8	131.2	165.2	62.9	0	0	0	0	109.8	Y54 Q216	Y54-S185 PolarHBondContact O-N 3.44Å; Y54-S185 PolarHBondContact O-OG 2.6Å; S185-Q216 CarbonylContact C-O 3.52Å; S185-Q216 WeakPolarHBondContact CA-O 3.41Å
186	V	71.7	Confident	73.5	Confident	61 Å²	61	44.6 Å²	44.6	37%	0.37	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-126.3	125.9	-177	-173.1	0	0	0	0	109.6	S215 Q216	V186-S215 CarbonylContact O-C 3.59Å; V186-S215 WeakPolarHBondContact O-CA 3.48Å; V186-S215 WeakPolarHBondContact O-CB 3.41Å; V186-Q216 HydrophobicContact CB-CB 4.45Å; V186-Q216 PolarHBondContact N-O 2.8Å; V186-Q216 PolarHBondContact O-N 2.89Å
187	L	78.3	Confident	74.5	Confident	22 Å²	22	52 Å²	52	12%	0.115	30%	0.296	C	S	.	.			trans	-124.3	96.1	169.5	-175.7	62	0	0	0	107.5	P213 P220 V294 L296 K299 I301	L187-P213 HydrophobicContact CD1-CG 4.02Å; L187-P220 HydrophobicContact CD1-CB 4.14Å; L187-P220 HydrophobicContact CD1-CG 4.37Å; L187-V294 HydrophobicContact CD1-CG2 4.03Å; L187-V294 HydrophobicContact CD2-CG2 4.44Å; L187-L296 HydrophobicContact CB-CB 4.22Å; L187-L296 HydrophobicContact CB-CD2 4.11Å; L187-L296 HydrophobicContact CD1-CB 4.22Å; L187-L296 HydrophobicContact CD2-CB 3.84Å; L187-L296 HydrophobicContact CG-CB 4.31Å; L187-K299 HydrophobicContact CD2-CB 4.04Å; L187-I301 HydrophobicContact CD1-CD1 4.49Å; L187-I301 HydrophobicContact CD2-CD1 4.47Å; L187-I301 HydrophobicContact CD2-CG1 4.18Å; L187-I301 HydrophobicContact CG-CD1 4.09Å; L187-I301 HydrophobicContact CG-CG1 4.34Å
188	P	78.2	Confident	75.3	Confident	49 Å²	49	52.3 Å²	52.3	32%	0.318	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-81.8	169.5	178.4	32.9	-30	0	0	0	111.1	P213 L214 I301	P188-P213 HydrophobicContact CG-CB 4.05Å; P188-P213 VanDerWaalsContact O-CB 3.22Å; P188-P213 WeakPolarHBondContact O-CB 3.48Å; P188-L214 WeakPolarHBondContact CD-O 3.46Å; P188-L214 VanDerWaalsContact CG-O 3.29Å; P188-L214 WeakPolarHBondContact CG-O 3.44Å; P188-I301 WeakPolarHBondContact O-CD1 3.36Å
189	A	81.7	Confident	76.4	Confident	84 Å²	84	54.2 Å²	54.2	69%	0.694	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-61.4	155.4	176.2	0	0	0	0	0	112.6
190	F	84.9	Confident	77.3	Confident	36 Å²	36	54.4 Å²	54.4	16%	0.158	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-56.3	145.9	176.3	-85.3	-92.1	0	0	0	112.6	H211 V294 I301 S302 S303	F190-H211 VanDerWaalsContact CD1-O 3.24Å; F190-H211 WeakPolarHBondContact CD1-O 3.29Å; F190-H211 WeakPolarHBondContact CE1-O 3.36Å; F190-V294 HydrophobicContact CE1-CG1 4.41Å; F190-V294 HydrophobicContact CE2-CG2 3.69Å; F190-V294 HydrophobicContact CZ-CB 4.32Å; F190-V294 HydrophobicContact CZ-CG1 3.8Å; F190-V294 HydrophobicContact CZ-CG2 3.75Å; F190-I301 HydrophobicContact CD2-CD1 4.08Å; F190-I301 HydrophobicContact CD2-CG1 4.25Å; F190-I301 HydrophobicContact CE2-CD1 4.26Å; F190-I301 HydrophobicContact CE2-CG1 4Å; F190-S302 VanDerWaalsContact CD2-O 3.26Å; F190-S302 WeakPolarHBondContact CD2-O 3.35Å; F190-S303 VanDerWaalsContact CE2-N 3.29Å
191	P	78.7	Confident	78.2	Confident	46 Å²	46	55 Å²	55	30%	0.299	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.6	143.3	171.2	27.5	-34.4	0	0	0	110.8	H193 H211	P191-H193 PolarHBondContact O-N 2.87Å; P191-H211 HydrophobicContact CG-CB 4.18Å
192	P	77.1	Confident	79.4	Confident	128 Å²	128	56.6 Å²	56.6	83%	0.831	33%	0.326	S	S	*	.			trans	-72.9	112.1	179.6	28.8	-33.4	0	0	0	110.4
193	H	77.9	Confident	80.4	Confident	81 Å²	81	56.9 Å²	56.9	38%	0.375	33%	0.332	S	S	.	.			trans	-132.9	151.2	175.8	-76.3	17.3	0	0	0	110	P191 H211 Q305	P191-H193 PolarHBondContact O-N 2.87Å; H193-H211 AromaticContact CD2-CD2 3.45Å; H193-H211 PolarHBondContact CD2-CD2 2.81Å; H193-H211 VanDerWaalsContact CD2-CD2 3.45Å; H193-H211 AromaticContact CD2-CE1 3.91Å; H193-H211 AromaticContact CD2-CG 3.38Å; H193-H211 AromaticContact CD2-ND1 3.7Å; H193-H211 AromaticContact CD2-NE2 3.81Å; H193-H211 AromaticContact NE2-CG 3.57Å; H193-H211 AromaticContact NE2-ND1 3.55Å; H193-Q305 HydrophobicContact CB-CG 4.3Å
194	S	81.2	Confident	81.5	Confident	99 Å²	99	54.8 Å²	54.8	69%	0.692	32%	0.323	S	S	*	.			trans	-80.8	152.4	178.9	53.6	0	0	0	0	112.7	Q305	S194-Q305 WeakPolarHBondContact O-CG 3.23Å; S194-Q305 PolarHBondContact O-NE2 2.83Å
195	D	85.7	Confident	82.6	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	31%	0.314	S	S	.	.			trans	-58.8	143.3	174	-68.7	-13.9	0	0	0	111.7	Q305 R306	D195-Q305 WeakPolarHBondContact OD1-CA 3.42Å; D195-R306 CarbonylContact C-O 3.59Å; D195-R306 VanDerWaalsContact CA-O 3.26Å; D195-R306 WeakPolarHBondContact CA-O 3.22Å; D195-R306 WeakPolarHBondContact CB-O 3.2Å; D195-R306 PolarHBondContact OD1-N 2.9Å
196	K	85.6	Confident	83.4	Confident	31 Å²	31	52.5 Å²	52.5	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.8	-171.9	-174.5	168.7	-177	168.6	0	110.7	R306 T307 H308 D330	K196-R306 PolarHBondContact N-O 3.12Å; K196-T307 CarbonylContact O-C 3.56Å; K196-T307 VanDerWaalsContact O-CA 3.31Å; K196-T307 WeakPolarHBondContact O-CA 3.09Å; K196-H308 PolarHBondContact O-N 2.87Å; K196-D330 WeakPolarHBondContact CE-OD2 3.37Å; K196-D330 IonicContact NZ-OD2 2.61Å; K196-D330 PolarHBondContact NZ-OD2 3.21Å
197	Y	87.4	Confident	84.2	Confident	158 Å²	158	49.9 Å²	49.9	62%	0.62	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	177.1	-66.6	-94.5	0	0	0	109.9	H308	Y197-H308 HydrophobicContact CD1-CB 3.57Å; Y197-H308 HydrophobicContact CE1-CB 3.68Å; Y197-H308 AromaticContact CE1-CD2 3.81Å; Y197-H308 AromaticContact CE1-CG 3.65Å; Y197-H308 HydrophobicContact CG-CB 4.34Å; Y197-H308 AromaticContact CZ-CD2 3.85Å
198	L	84.7	Confident	84.8	Confident	26 Å²	26	49 Å²	49	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118	178.6	-67.8	175.9	0	0	0	108.7	T307 H308 L309 V310	L198-T307 HydrophobicContact CD1-CG2 3.7Å; L198-T307 HydrophobicContact CG-CG2 4.2Å; L198-H308 PolarHBondContact N-O 2.99Å; L198-L309 HydrophobicContact CB-CD1 3.88Å; L198-L309 CarbonylContact O-C 3.52Å; L198-L309 WeakPolarHBondContact O-CA 3.35Å; L198-V310 PolarHBondContact O-N 2.72Å
199	S	86.1	Confident	85.3	Confident	83 Å²	83	47 Å²	47	58%	0.58	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.3	162.2	-172.9	0	0	0	0	107.3	V310	S199-V310 WeakPolarHBondContact CA-O 3.27Å
200	L	85.7	Confident	85.7	Confident	24 Å²	24	43.1 Å²	43.1	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.1	-176.9	-68	175.6	0	0	0	111.7	A206 L282 L309 V310 V311 T312 E372	L200-A206 HydrophobicContact CD1-CB 3.63Å; L200-L282 HydrophobicContact CB-CD1 3.8Å; L200-L282 HydrophobicContact CD1-CD1 4.02Å; L200-L309 HydrophobicContact CB-CD1 4.39Å; L200-L309 HydrophobicContact CD1-CD1 3.91Å; L200-L309 HydrophobicContact CG-CD1 4.29Å; L200-V310 PolarHBondContact N-O 2.97Å; L200-V311 WeakPolarHBondContact O-CA 3.4Å; L200-T312 PolarHBondContact O-N 3.42Å; L200-T312 PolarHBondContact O-OG1 2.77Å; L200-E372 VanDerWaalsContact CA-OE1 3.28Å; L200-E372 WeakPolarHBondContact CA-OE1 3.38Å; L200-E372 WeakPolarHBondContact CD2-OE1 3.4Å; L200-E372 WeakPolarHBondContact CD2-OE2 3.5Å
201	L	87.2	Confident	85.8	Confident	15 Å²	15	41.7 Å²	41.7	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.9	-179.8	-62.2	176.7	0	0	0	112.1	N204 P314 I318 E372 A374	L201-N204 WeakPolarHBondContact CB-ND2 3.47Å; L201-N204 WeakPolarHBondContact O-CB 3.49Å; L201-N204 PolarHBondContact O-N 3.39Å; L201-N204 PolarHBondContact O-ND2 2.92Å; L201-N204 VanDerWaalsContact O-ND2 3.14Å; L201-P314 HydrophobicContact CD2-CB 3.92Å; L201-P314 HydrophobicContact CD2-CG 4.24Å; L201-I318 HydrophobicContact CD1-CB 4.21Å; L201-I318 HydrophobicContact CD1-CD1 3.71Å; L201-I318 HydrophobicContact CD1-CG2 4.26Å; L201-I318 HydrophobicContact CD2-CD1 3.92Å; L201-I318 HydrophobicContact CG-CD1 4.44Å; L201-E372 HydrophobicContact CB-CG 4.46Å; L201-E372 HydrophobicContact CD1-CG 4.01Å; L201-E372 HydrophobicContact CG-CG 4.27Å; L201-E372 PolarHBondContact N-OE1 2.59Å; L201-A374 HydrophobicContact CD1-CB 4.3Å
202	I	88.4	Confident	86.1	Confident	51 Å²	51	39.8 Å²	39.8	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	142.9	176.4	-159	174.7	0	0	0	112.2	N204 L282 L284 V311 T312 K313	I202-N204 PolarHBondContact O-N 2.98Å; I202-N204 PolarHBondContact O-ND2 3.23Å; I202-L282 WeakPolarHBondContact CG1-O 3.3Å; I202-L284 HydrophobicContact CD1-CG 4.15Å; I202-V311 HydrophobicContact CB-CG1 4Å; I202-V311 HydrophobicContact CG1-CG1 4.13Å; I202-T312 WeakPolarHBondContact CB-O 3.47Å; I202-T312 PolarHBondContact N-O 3.39Å; I202-K313 HydrophobicContact CD1-CG 4.23Å; I202-K313 HydrophobicContact CG2-CG 4.09Å
203	G	85.8	Confident	86.3	Confident	18 Å²	18	34 Å²	34	19%	0.186	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-20.1	-179.8	0	0	0	0	0	115.7	S281 L282	G203-S281 WeakPolarHBondContact O-CB 3.37Å; G203-L282 PolarHBondContact N-O 2.9Å
204	N	88.4	Confident	86.2	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	-75.9	-173.4	175.2	-65.2	-91.1	0	0	0	111.5	L201 I202 L282 F371 E372 S373	L201-N204 WeakPolarHBondContact CB-ND2 3.47Å; L201-N204 WeakPolarHBondContact O-CB 3.49Å; L201-N204 PolarHBondContact O-N 3.39Å; L201-N204 PolarHBondContact O-ND2 2.92Å; L201-N204 VanDerWaalsContact O-ND2 3.14Å; I202-N204 PolarHBondContact O-N 2.98Å; I202-N204 PolarHBondContact O-ND2 3.23Å; N204-L282 WeakPolarHBondContact O-CB 3.5Å; N204-L282 VanDerWaalsContact O-CG 3.29Å; N204-L282 WeakPolarHBondContact O-CG 3.4Å; N204-L282 PolarHBondContact O-N 2.88Å; N204-F371 PolarHBondContact OD1-O 3.18Å; N204-E372 WeakPolarHBondContact OD1-CA 3.48Å; N204-S373 PolarHBondContact ND2-O 2.85Å; N204-S373 PolarHBondContact OD1-N 3.28Å; N204-S373 PolarHBondContact OD1-O 2.81Å; N204-S373 PolarHBondContact OD1-OG 3.44Å
205	T	88.5	Confident	85.8	Confident	18 Å²	18	30.2 Å²	30.2	11%	0.11	16%	0.16	C	C	.	.			trans	-107.9	122.5	-178.1	-56	0	0	0	0	111.3	L278 I279 H280 I370 F397	T205-L278 HydrophobicContact CG2-CB 4.32Å; T205-I279 CarbonylContact C-O 3.51Å; T205-I279 VanDerWaalsContact CA-O 3.29Å; T205-I279 WeakPolarHBondContact CA-O 3.05Å; T205-H280 HydrophobicContact CG2-CB 4.24Å; T205-H280 PolarHBondContact OG1-ND1 3.26Å; T205-I370 HydrophobicContact CG2-CD1 4.04Å; T205-F397 HydrophobicContact CG2-CD1 4.31Å
206	A	88.9	Confident	84.7	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	155.5	172	0	0	0	0	0	112.9	L200 L278 I279 L282 L309	L200-A206 HydrophobicContact CD1-CB 3.63Å; A206-L278 WeakPolarHBondContact O-CA 3.14Å; A206-I279 HydrophobicContact CB-CB 4.27Å; A206-I279 PolarHBondContact N-O 2.81Å; A206-I279 PolarHBondContact O-N 2.92Å; A206-L282 HydrophobicContact CB-CD1 3.97Å; A206-L282 HydrophobicContact CB-CD2 3.75Å; A206-L282 HydrophobicContact CB-CG 4.18Å; A206-L309 HydrophobicContact CB-CD1 4.44Å; A206-L309 HydrophobicContact CB-CD2 4.12Å
207	V	88.9	Confident	83.2	Confident	6 Å²	6	29.3 Å²	29.3	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	95	178.4	-174	0	0	0	0	108.6	I209 I276 L278 F368 I370	V207-I209 HydrophobicContact CG1-CG1 4.25Å; V207-I276 HydrophobicContact CG1-CD1 4.46Å; V207-I276 HydrophobicContact CG1-CG2 3.65Å; V207-L278 HydrophobicContact CB-CD2 4.31Å; V207-L278 HydrophobicContact CG1-CD2 4.27Å; V207-L278 HydrophobicContact CG2-CD2 3.85Å; V207-F368 HydrophobicContact CG1-CE2 4.43Å; V207-F368 HydrophobicContact CG1-CZ 4.23Å; V207-F368 HydrophobicContact CG2-CE2 4.47Å; V207-I370 HydrophobicContact CG2-CD1 3.52Å
208	V	90.5	Very high	82.2	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	174.4	178.3	0	0	0	0	108.6	F224 I276 L277 I279 Y290 T307	V208-F224 HydrophobicContact CG1-CE1 4.16Å; V208-I276 CarbonylContact O-C 3.52Å; V208-I276 WeakPolarHBondContact O-CA 3.49Å; V208-L277 HydrophobicContact CB-CB 4.3Å; V208-L277 PolarHBondContact N-O 2.93Å; V208-L277 PolarHBondContact O-N 3.15Å; V208-I279 HydrophobicContact CG2-CD1 4.45Å; V208-Y290 HydrophobicContact CG1-CG 4.48Å; V208-Y290 HydrophobicContact CG2-CD2 4.47Å; V208-Y290 HydrophobicContact CG2-CG 4.35Å; V208-T307 HydrophobicContact CG1-CG2 4.24Å; V208-T307 HydrophobicContact CG2-CG2 4.26Å
209	I	88.3	Confident	81.4	Confident	8 Å²	8	21.3 Å²	21.3	4%	0.041	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.3	-173.4	-50	172	0	0	0	109.6	V207 H211 A274 I276 D330 L331	V207-I209 HydrophobicContact CG1-CG1 4.25Å; I209-H211 WeakPolarHBondContact CG2-NE2 3.4Å; I209-A274 HydrophobicContact CG2-CB 4.28Å; I209-I276 HydrophobicContact CG1-CG1 4.33Å; I209-I276 HydrophobicContact CG2-CG1 4.46Å; I209-D330 HydrophobicContact CD1-CB 4.08Å; I209-L331 HydrophobicContact CD1-CD1 4.31Å; I209-L331 HydrophobicContact CD1-CD2 3.96Å; I209-L331 HydrophobicContact CD1-CG 4.01Å; I209-L331 HydrophobicContact CG2-CD2 4.02Å
210	C	89.9	Confident	81	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.014	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	107.1	172.6	174.1	0	0	0	0	108.1	F224 A274 V275 C292	C210-F224 HydrophobicContact CB-CE1 3.86Å; C210-F224 HydrophobicContact CB-CZ 3.68Å; C210-A274 CarbonylContact O-C 3.49Å; C210-A274 VanDerWaalsContact O-CA 3.31Å; C210-A274 WeakPolarHBondContact O-CA 3.11Å; C210-V275 HydrophobicContact CB-CB 4.49Å; C210-V275 WeakPolarHBondContact CB-O 3.35Å; C210-V275 PolarHBondContact N-O 3.26Å; C210-V275 PolarHBondContact O-N 2.91Å; C210-C292 HydrophobicContact CB-CB 3.72Å; C210-C292 WeakPolarHBondContact CB-SG 3.13Å; C210-C292 WeakPolarHBondContact SG-CB 3.22Å; C210-C292 CovalentContact SG-SG 2.03Å; C210-C292 PolarHBondContact SG-SG 3.35Å
211	H	86.9	Confident	80.8	Confident	7 Å²	7	16.8 Å²	16.8	3%	0.032	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.8	-179.7	-56.9	-98	0	0	0	109.1	F190 P191 H193 I209 Q305 D330 Y333	F190-H211 VanDerWaalsContact CD1-O 3.24Å; F190-H211 WeakPolarHBondContact CD1-O 3.29Å; F190-H211 WeakPolarHBondContact CE1-O 3.36Å; P191-H211 HydrophobicContact CG-CB 4.18Å; H193-H211 AromaticContact CD2-CD2 3.45Å; H193-H211 PolarHBondContact CD2-CD2 2.81Å; H193-H211 VanDerWaalsContact CD2-CD2 3.45Å; H193-H211 AromaticContact CD2-CE1 3.91Å; H193-H211 AromaticContact CD2-CG 3.38Å; H193-H211 AromaticContact CD2-ND1 3.7Å; H193-H211 AromaticContact CD2-NE2 3.81Å; H193-H211 AromaticContact NE2-CG 3.57Å; H193-H211 AromaticContact NE2-ND1 3.55Å; I209-H211 WeakPolarHBondContact CG2-NE2 3.4Å; H211-Q305 PolarHBondContact CD2-OE1 2.95Å; H211-D330 PolarHBondContact CE1-O 3Å; H211-Y333 AromaticContact ND1-CE1 3.88Å; H211-Y333 AromaticContact ND1-CZ 3.81Å; H211-Y333 PolarHBondContact ND1-OH 3.33Å
212	L	84.9	Confident	80.8	Confident	5 Å²	5	16.4 Å²	16.4	3%	0.026	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-87.2	146.7	-167.1	-65.2	177.9	0	0	0	113	L219 P220 V222 G273 V275 V294	L212-L219 HydrophobicContact CD1-CD2 3.71Å; L212-P220 HydrophobicContact CD2-CG 4.37Å; L212-V222 HydrophobicContact CD2-CG2 3.68Å; L212-G273 PolarHBondContact N-O 2.78Å; L212-V275 HydrophobicContact CD1-CG2 3.85Å; L212-V275 HydrophobicContact CD2-CG2 4.34Å; L212-V275 HydrophobicContact CG-CG2 4.33Å; L212-V294 HydrophobicContact CD2-CG1 3.6Å
213	P	82.4	Confident	80.9	Confident	6 Å²	6	16.5 Å²	16.5	4%	0.039	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-64.6	152.5	164.7	29.8	-34.7	0	0	0	111.3	L187 P188 S215 V294 I301	L187-P213 HydrophobicContact CD1-CG 4.02Å; P188-P213 HydrophobicContact CG-CB 4.05Å; P188-P213 VanDerWaalsContact O-CB 3.22Å; P188-P213 WeakPolarHBondContact O-CB 3.48Å; P213-S215 VanDerWaalsContact C-N 3.34Å; P213-S215 PolarHBondContact O-N 2.78Å; P213-V294 HydrophobicContact CG-CG2 4.05Å; P213-I301 HydrophobicContact CG-CD1 4.45Å
214	L	75.4	Confident	81.3	Confident	95 Å²	95	15.7 Å²	15.7	50%	0.497	8%	0.083	S	C	.	.			trans	-75.4	82.2	175.3	-67.8	173.6	0	0	0	110.7	P188 H270 P272	P188-L214 WeakPolarHBondContact CD-O 3.46Å; P188-L214 VanDerWaalsContact CG-O 3.29Å; P188-L214 WeakPolarHBondContact CG-O 3.44Å; L214-H270 HydrophobicContact CD2-CB 4.16Å; L214-P272 HydrophobicContact CD2-CB 4.4Å
215	S	71.4	Confident	81.5	Confident	7 Å²	7	18 Å²	18	5%	0.049	9%	0.092	C	C	.	.			trans	-80.2	161.1	177.2	49.6	0	0	0	0	113.8	V186 P213 S218 P220	V186-S215 CarbonylContact O-C 3.59Å; V186-S215 WeakPolarHBondContact O-CA 3.48Å; V186-S215 WeakPolarHBondContact O-CB 3.41Å; P213-S215 VanDerWaalsContact C-N 3.34Å; P213-S215 PolarHBondContact O-N 2.78Å; S215-S218 PolarHBondContact OG-O 3.37Å; S215-P220 WeakPolarHBondContact OG-CD 3.47Å
216	Q	63.9	Low	81.8	Confident	64 Å²	64	18.5 Å²	18.5	30%	0.299	9%	0.093	S	C	.	.	B	Isolated β-bridge	trans	-133.3	135	166.6	-70.1	-172.2	-6.8	0	0	109.2	Y53 S185 V186 H270 L296	Y53-Q216 HydrophobicContact CE1-CB 4.4Å; S185-Q216 CarbonylContact C-O 3.52Å; S185-Q216 WeakPolarHBondContact CA-O 3.41Å; V186-Q216 HydrophobicContact CB-CB 4.45Å; V186-Q216 PolarHBondContact N-O 2.8Å; V186-Q216 PolarHBondContact O-N 2.89Å; Q216-H270 WeakPolarHBondContact CG-NE2 3.21Å; Q216-H270 PolarHBondContact NE2-NE2 3.45Å; Q216-L296 WeakPolarHBondContact O-CD2 2.99Å
217	P	54.3	Low	81.9	Confident	17 Å²	17	22.2 Å²	22.2	11%	0.11	11%	0.113	C	C	.	.	S	Bend	cis	-74.6	-51.5	11.4	23.9	-33.2	0	0	0	117.4	Y53 W253	Y53-P217 HydrophobicContact CD1-CB 3.8Å; Y53-P217 HydrophobicContact CD1-CG 4.23Å; Y53-P217 HydrophobicContact CD2-CB 3.74Å; Y53-P217 HydrophobicContact CD2-CG 4.3Å; Y53-P217 HydrophobicContact CE1-CB 3.81Å; Y53-P217 HydrophobicContact CE2-CB 3.78Å; Y53-P217 HydrophobicContact CG-CB 3.75Å; Y53-P217 HydrophobicContact CG-CG 4Å; P217-W253 HydrophobicContact CB-CE3 4.2Å; P217-W253 HydrophobicContact CB-CH2 3.76Å; P217-W253 HydrophobicContact CB-CZ3 3.51Å; P217-W253 HydrophobicContact CG-CD2 4.06Å; P217-W253 HydrophobicContact CG-CE3 3.62Å; P217-W253 HydrophobicContact CG-CH2 3.41Å; P217-W253 VanDerWaalsContact CG-CH2 3.41Å; P217-W253 HydrophobicContact CG-CZ2 3.84Å; P217-W253 HydrophobicContact CG-CZ3 3.29Å
218	S	65.3	Low	81.9	Confident	7 Å²	7	24.7 Å²	24.7	5%	0.049	13%	0.126	C	C	.	.	S	Bend	trans	-130.9	-159.2	179.7	84.5	0	0	0	0	112.7	S215 D247	S215-S218 PolarHBondContact OG-O 3.37Å; S218-D247 WeakPolarHBondContact CB-OD2 3.39Å
219	L	67.8	Low	81.9	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.042	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-60.1	131.6	-178.8	-62.2	167.7	0	0	0	110.8	L212 Y243 P252 W253	L212-L219 HydrophobicContact CD1-CD2 3.71Å; L219-Y243 HydrophobicContact CB-CD1 4.31Å; L219-Y243 HydrophobicContact CD1-CD1 4.11Å; L219-P252 WeakPolarHBondContact O-CA 3.48Å; L219-W253 PolarHBondContact O-N 3.34Å
220	P	77.9	Confident	82	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-77.4	158.2	-179.4	35.9	-32.8	0	0	0	110	L187 L212 S215 V294 S295 L296	L187-P220 HydrophobicContact CD1-CB 4.14Å; L187-P220 HydrophobicContact CD1-CG 4.37Å; L212-P220 HydrophobicContact CD2-CG 4.37Å; S215-P220 WeakPolarHBondContact OG-CD 3.47Å; P220-V294 HydrophobicContact CB-CB 3.95Å; P220-V294 HydrophobicContact CB-CG1 4.37Å; P220-V294 HydrophobicContact CG-CB 3.75Å; P220-V294 HydrophobicContact CG-CG1 3.68Å; P220-V294 HydrophobicContact CG-CG2 4.45Å; P220-S295 WeakPolarHBondContact CA-O 3.27Å; P220-S295 VanDerWaalsContact CB-O 3.28Å; P220-S295 WeakPolarHBondContact CB-O 3.14Å; P220-L296 HydrophobicContact CB-CB 4.28Å; P220-L296 HydrophobicContact CB-CD1 4.39Å
221	T	82.3	Confident	81.9	Confident	13 Å²	13	34.9 Å²	34.9	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.9	175	29.1	0	0	0	0	111.1	P252 E254 V294 S295	T221-P252 HydrophobicContact CG2-CB 3.72Å; T221-P252 HydrophobicContact CG2-CG 4.13Å; T221-E254 WeakPolarHBondContact CB-OE1 3.39Å; T221-E254 HydrophobicContact CG2-CB 3.74Å; T221-E254 HydrophobicContact CG2-CG 3.72Å; T221-E254 VanDerWaalsContact CG2-OE1 3.23Å; T221-E254 WeakPolarHBondContact CG2-OE1 3.24Å; T221-E254 PolarHBondContact OG1-OE1 3.49Å; T221-V294 CarbonylContact O-C 3.56Å; T221-V294 VanDerWaalsContact O-CA 3.29Å; T221-V294 WeakPolarHBondContact O-CA 3.2Å; T221-S295 PolarHBondContact N-O 3.17Å; T221-S295 PolarHBondContact O-N 3.22Å; T221-S295 PolarHBondContact O-OG 3.43Å; T221-S295 PolarHBondContact OG1-O 3.06Å; T221-S295 PolarHBondContact OG1-OG 3.27Å
222	V	87.2	Confident	81.8	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.6	-176.7	177.5	0	0	0	0	111.8	L212 F224 Y243 V275 C292 S293 V294	L212-V222 HydrophobicContact CD2-CG2 3.68Å; V222-F224 HydrophobicContact CG1-CD2 3.85Å; V222-F224 HydrophobicContact CG1-CE2 3.51Å; V222-F224 HydrophobicContact CG1-CZ 4.12Å; V222-Y243 HydrophobicContact CG2-CE1 4.17Å; V222-Y243 PolarHBondContact N-OH 3.34Å; V222-V275 HydrophobicContact CB-CB 4.49Å; V222-V275 HydrophobicContact CB-CG1 4.29Å; V222-V275 HydrophobicContact CB-CG2 4.42Å; V222-V275 HydrophobicContact CG1-CB 4.43Å; V222-V275 HydrophobicContact CG1-CG1 4.2Å; V222-V275 HydrophobicContact CG2-CB 4.02Å; V222-V275 HydrophobicContact CG2-CG1 4.33Å; V222-V275 HydrophobicContact CG2-CG2 3.66Å; V222-C292 HydrophobicContact CG1-CB 4.12Å; V222-S293 WeakPolarHBondContact CA-O 3.31Å; V222-V294 HydrophobicContact CG2-CG1 3.97Å
223	H	90.9	Very high	81.7	Confident	53 Å²	53	40.7 Å²	40.7	25%	0.245	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.2	167.1	-63.3	-17.3	0	0	0	109.7	Y225 K230 C292 S293	H223-Y225 HydrophobicContact CB-CE2 4.02Å; H223-K230 VanDerWaalsContact CD2-CE 3.45Å; H223-K230 WeakPolarHBondContact CD2-CE 3.38Å; H223-K230 PolarHBondContact CD2-NZ 2.94Å; H223-K230 PolarHBondContact CE1-NZ 2.98Å; H223-K230 VanDerWaalsContact CG-CE 3.46Å; H223-K230 PolarHBondContact NE2-NZ 3.44Å; H223-C292 CarbonylContact O-C 3.57Å; H223-C292 WeakPolarHBondContact O-CA 3.24Å; H223-S293 PolarHBondContact N-O 3.29Å; H223-S293 PolarHBondContact O-N 3.34Å
224	F	92.8	Very high	81.5	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.8	173.5	-75.9	-90.5	0	0	0	111.1	V208 C210 V222 L231 L241 V275 L277 C292	V208-F224 HydrophobicContact CG1-CE1 4.16Å; C210-F224 HydrophobicContact CB-CE1 3.86Å; C210-F224 HydrophobicContact CB-CZ 3.68Å; V222-F224 HydrophobicContact CG1-CD2 3.85Å; V222-F224 HydrophobicContact CG1-CE2 3.51Å; V222-F224 HydrophobicContact CG1-CZ 4.12Å; F224-L231 HydrophobicContact CB-CD1 3.89Å; F224-L231 PolarHBondContact O-N 3.34Å; F224-L241 HydrophobicContact CD2-CD1 4.19Å; F224-L241 HydrophobicContact CD2-CD2 4.48Å; F224-L241 HydrophobicContact CD2-CG 4.5Å; F224-L241 HydrophobicContact CE2-CD1 4.25Å; F224-L241 HydrophobicContact CE2-CD2 4.22Å; F224-L241 HydrophobicContact CE2-CG 4.13Å; F224-V275 HydrophobicContact CE2-CG1 3.76Å; F224-V275 HydrophobicContact CZ-CG1 4.07Å; F224-L277 HydrophobicContact CB-CD2 4.02Å; F224-L277 HydrophobicContact CD1-CB 4.12Å; F224-L277 HydrophobicContact CD1-CD2 4.01Å; F224-L277 HydrophobicContact CD2-CB 4.02Å; F224-L277 HydrophobicContact CD2-CD2 4.37Å; F224-L277 HydrophobicContact CE1-CB 3.9Å; F224-L277 HydrophobicContact CE2-CB 3.8Å; F224-L277 HydrophobicContact CG-CB 4.17Å; F224-L277 HydrophobicContact CG-CD2 3.88Å; F224-L277 HydrophobicContact CZ-CB 3.73Å; F224-C292 HydrophobicContact CD1-CB 4.14Å; F224-C292 HydrophobicContact CE1-CB 4.09Å
225	Y	93.7	Very high	81.7	Confident	52 Å²	52	44.8 Å²	44.8	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.5	177.1	-67.2	-105.7	0	0	0	109.1	H223 I229 K230 Y290 Y291 S293	H223-Y225 HydrophobicContact CB-CE2 4.02Å; Y225-I229 CarbonylContact C-O 3.49Å; Y225-I229 VanDerWaalsContact CA-O 3.22Å; Y225-I229 WeakPolarHBondContact CA-O 3.48Å; Y225-K230 HydrophobicContact CD1-CB 4.01Å; Y225-K230 HydrophobicContact CE1-CB 3.7Å; Y225-K230 HydrophobicContact CE1-CG 4.31Å; Y225-Y290 VanDerWaalsContact O-CA 3.26Å; Y225-Y290 WeakPolarHBondContact O-CA 3.5Å; Y225-Y291 HydrophobicContact CD1-CE2 4.34Å; Y225-Y291 AromaticContact CD1-CZ 3.94Å; Y225-Y291 WeakPolarHBondContact CD1-OH 3.47Å; Y225-Y291 HydrophobicContact CD2-CD2 4.22Å; Y225-Y291 AromaticContact CD2-CE2 3.64Å; Y225-Y291 HydrophobicContact CD2-CE2 3.64Å; Y225-Y291 HydrophobicContact CE2-CE2 4.36Å; Y225-Y291 HydrophobicContact CG-CD2 4.41Å; Y225-Y291 HydrophobicContact CG-CE1 4.18Å; Y225-Y291 AromaticContact CG-CE2 3.66Å; Y225-Y291 HydrophobicContact CG-CE2 3.66Å; Y225-Y291 AromaticContact CG-CZ 3.52Å; Y225-Y291 PolarHBondContact N-O 2.98Å; Y225-Y291 PolarHBondContact O-N 2.83Å; Y225-Y291 VanDerWaalsContact O-N 3.15Å; Y225-S293 WeakPolarHBondContact CE2-OG 3.33Å
226	H	93.9	Very high	82.1	Confident	29 Å²	29	49.4 Å²	49.4	13%	0.134	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122	171.9	174.1	-125.8	0	0	0	107.9	N228 I229 L231 S285 D286 T287 Q289 Y290	H226-N228 PolarHBondContact O-N 3.16Å; H226-N228 VanDerWaalsContact O-N 3.16Å; H226-I229 PolarHBondContact N-O 2.85Å; H226-I229 WeakPolarHBondContact O-CB 3.39Å; H226-I229 PolarHBondContact O-N 3.19Å; H226-L231 HydrophobicContact CB-CD1 4.42Å; H226-L231 HydrophobicContact CB-CD2 3.71Å; H226-L231 HydrophobicContact CB-CG 4.11Å; H226-S285 PolarHBondContact CE1-O 3.37Å; H226-D286 PolarHBondContact NE2-O 3.2Å; H226-T287 PolarHBondContact NE2-O 3.14Å; H226-Q289 WeakPolarHBondContact CA-O 3.47Å; H226-Y290 HydrophobicContact CB-CD1 4.05Å; H226-Y290 HydrophobicContact CB-CE1 3.75Å; H226-Y290 AromaticContact CD2-CE1 3.68Å; H226-Y290 AromaticContact CD2-CE2 3.43Å; H226-Y290 VanDerWaalsContact CD2-CE2 3.43Å; H226-Y290 WeakPolarHBondContact CD2-CE2 3.41Å; H226-Y290 AromaticContact CD2-CZ 3.24Å; H226-Y290 PolarHBondContact CD2-OH 2.81Å; H226-Y290 AromaticContact CG-CE1 3.92Å; H226-Y290 AromaticContact CG-CZ 3.87Å; H226-Y290 AromaticContact NE2-CE2 3.95Å; H226-Y290 AromaticContact NE2-CZ 3.81Å
227	N	91.1	Very high	82.9	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	43.4	-176.3	-58.9	-28.4	0	0	0	112.5	I229 G288 Q289	N227-I229 PolarHBondContact O-N 3.45Å; N227-G288 WeakPolarHBondContact OD1-CA 3.31Å; N227-Q289 PolarHBondContact N-O 3.18Å; N227-Q289 PolarHBondContact OD1-N 3.36Å
228	N	89	Confident	84.4	Confident	57 Å²	57	54.3 Å²	54.3	31%	0.305	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	1.3	-175	-49.6	-23.7	0	0	0	116.7	H226 Y291 Y1392	H226-N228 PolarHBondContact O-N 3.16Å; H226-N228 VanDerWaalsContact O-N 3.16Å; N228-Y291 WeakPolarHBondContact OD1-CE1 3.22Å; N228-Y1392 HydrophobicContact CB-CE2 3.97Å; N228-Y1392 WeakPolarHBondContact CB-OH 3.02Å; N228-Y1392 WeakPolarHBondContact ND2-CE2 3.46Å
229	I	90.9	Very high	85.6	Confident	100 Å²	100	54.7 Å²	54.7	51%	0.513	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.7	173.7	-56.3	176.3	0	0	0	109	Y225 H226 N227 L231 L1390	Y225-I229 CarbonylContact C-O 3.49Å; Y225-I229 VanDerWaalsContact CA-O 3.22Å; Y225-I229 WeakPolarHBondContact CA-O 3.48Å; H226-I229 PolarHBondContact N-O 2.85Å; H226-I229 WeakPolarHBondContact O-CB 3.39Å; H226-I229 PolarHBondContact O-N 3.19Å; N227-I229 PolarHBondContact O-N 3.45Å; I229-L231 PolarHBondContact O-N 3.1Å; I229-L1390 HydrophobicContact CD1-CD2 4.46Å
230	K	89.6	Confident	86.4	Confident	106 Å²	106	57.3 Å²	57.3	46%	0.461	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.7	175.3	-173.2	178.4	-178.7	176.3	0	109.5	H223 Y225	H223-K230 VanDerWaalsContact CD2-CE 3.45Å; H223-K230 WeakPolarHBondContact CD2-CE 3.38Å; H223-K230 PolarHBondContact CD2-NZ 2.94Å; H223-K230 PolarHBondContact CE1-NZ 2.98Å; H223-K230 VanDerWaalsContact CG-CE 3.46Å; H223-K230 PolarHBondContact NE2-NZ 3.44Å; Y225-K230 HydrophobicContact CD1-CB 4.01Å; Y225-K230 HydrophobicContact CE1-CB 3.7Å; Y225-K230 HydrophobicContact CE1-CG 4.31Å
231	L	89	Confident	86.8	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.9	136.5	177.9	-70.3	174.3	0	0	0	111.3	F224 H226 I229 L233 L277 Y290	F224-L231 HydrophobicContact CB-CD1 3.89Å; F224-L231 PolarHBondContact O-N 3.34Å; H226-L231 HydrophobicContact CB-CD1 4.42Å; H226-L231 HydrophobicContact CB-CD2 3.71Å; H226-L231 HydrophobicContact CB-CG 4.11Å; I229-L231 PolarHBondContact O-N 3.1Å; L231-L233 HydrophobicContact CB-CD2 4.21Å; L231-L233 PolarHBondContact O-N 3.16Å; L231-L277 HydrophobicContact CD1-CD2 3.64Å; L231-Y290 HydrophobicContact CD1-CD1 4.19Å; L231-Y290 HydrophobicContact CD1-CE1 3.95Å
232	D	84.6	Confident	86.6	Confident	85 Å²	85	59.2 Å²	59.2	46%	0.455	30%	0.298	S	S	.	.			trans	-80.8	97.3	168.6	-178.2	5.9	0	0	0	110.2	T234	D232-T234 VanDerWaalsContact CG-OG1 3.23Å; D232-T234 PolarHBondContact O-N 3.01Å; D232-T234 VanDerWaalsContact OD1-CB 3.29Å; D232-T234 WeakPolarHBondContact OD1-CB 3.39Å; D232-T234 VanDerWaalsContact OD1-CG2 3.3Å; D232-T234 WeakPolarHBondContact OD1-CG2 3.41Å; D232-T234 PolarHBondContact OD1-N 3.39Å; D232-T234 PolarHBondContact OD1-OG1 3.2Å; D232-T234 PolarHBondContact OD2-OG1 3.06Å
233	L	82.2	Confident	86.1	Confident	49 Å²	49	60.3 Å²	60.3	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.1	-179.3	-59.2	172.6	0	0	0	113.2	L231 Q235 Y239 L241 L277	L231-L233 HydrophobicContact CB-CD2 4.21Å; L231-L233 PolarHBondContact O-N 3.16Å; L233-Q235 PolarHBondContact O-N 3.03Å; L233-Y239 HydrophobicContact CD2-CG 4.4Å; L233-L241 HydrophobicContact CD1-CD1 3.72Å; L233-L241 HydrophobicContact CD1-CD2 4.25Å; L233-L241 HydrophobicContact CD2-CD1 3.72Å; L233-L241 HydrophobicContact CG-CD1 4.27Å; L233-L277 HydrophobicContact CD2-CD1 3.97Å
234	T	78.1	Confident	85.1	Confident	106 Å²	106	58.3 Å²	58.3	65%	0.65	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.4	171.8	67.8	0	0	0	0	112.6	D232 T236	D232-T234 VanDerWaalsContact CG-OG1 3.23Å; D232-T234 PolarHBondContact O-N 3.01Å; D232-T234 VanDerWaalsContact OD1-CB 3.29Å; D232-T234 WeakPolarHBondContact OD1-CB 3.39Å; D232-T234 VanDerWaalsContact OD1-CG2 3.3Å; D232-T234 WeakPolarHBondContact OD1-CG2 3.41Å; D232-T234 PolarHBondContact OD1-N 3.39Å; D232-T234 PolarHBondContact OD1-OG1 3.2Å; D232-T234 PolarHBondContact OD2-OG1 3.06Å; T234-T236 PolarHBondContact O-N 3.39Å
235	Q	80.2	Confident	83.6	Confident	81 Å²	81	58.9 Å²	58.9	38%	0.379	30%	0.299	S	S	.	.			trans	-73.6	64.7	173.1	-59.8	-173.2	7.2	0	0	111.5	L233 D237 R238 Y239	L233-Q235 PolarHBondContact O-N 3.03Å; Q235-D237 PolarHBondContact O-N 3.45Å; Q235-R238 PolarHBondContact O-N 2.73Å; Q235-Y239 HydrophobicContact CB-CD2 4.16Å; Q235-Y239 PolarHBondContact O-N 2.85Å
236	T	78.8	Confident	82	Confident	103 Å²	103	56.9 Å²	56.9	63%	0.632	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.1	-178.8	55.5	0	0	0	0	114.4	T234 Y239	T234-T236 PolarHBondContact O-N 3.39Å; T236-Y239 WeakPolarHBondContact CA-O 3.05Å
237	D	81.6	Confident	80.1	Confident	111 Å²	111	58 Å²	58	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.2	172.4	-105.6	-48.8	0	0	0	114.5	Q235 K396	Q235-D237 PolarHBondContact O-N 3.45Å; D237-K396 WeakPolarHBondContact O-CE 3.23Å; D237-K396 PolarHBondContact O-NZ 2.75Å; D237-K396 IonicContact OD1-NZ 3.14Å; D237-K396 PolarHBondContact OD1-NZ 2.89Å
238	R	86.5	Confident	78	Confident	73 Å²	73	56 Å²	56	28%	0.275	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-36	176.7	-69.2	-153.8	-58.5	140.1	4.5	113.8	Q235 I279 H280 D286	Q235-R238 PolarHBondContact O-N 2.73Å; R238-I279 WeakPolarHBondContact O-CA 3.43Å; R238-H280 VanDerWaalsContact CA-O 3.32Å; R238-H280 WeakPolarHBondContact CA-O 3.49Å; R238-H280 PolarHBondContact O-N 2.88Å; R238-D286 IonicContact NH1-OD1 3.95Å
239	Y	89.3	Confident	76	Confident	15 Å²	15	53.2 Å²	53.2	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.5	-175.7	-55.8	-58.4	0	0	0	110.7	L233 Q235 T236 L277 L278 I279	L233-Y239 HydrophobicContact CD2-CG 4.4Å; Q235-Y239 HydrophobicContact CB-CD2 4.16Å; Q235-Y239 PolarHBondContact O-N 2.85Å; T236-Y239 WeakPolarHBondContact CA-O 3.05Å; Y239-L277 HydrophobicContact CD1-CD1 4.13Å; Y239-L277 HydrophobicContact CG-CD1 4.42Å; Y239-L278 WeakPolarHBondContact CA-O 3.37Å; Y239-I279 HydrophobicContact CD1-CB 4.45Å; Y239-I279 HydrophobicContact CD1-CG1 4.06Å; Y239-I279 HydrophobicContact CD1-CG2 4.2Å; Y239-I279 HydrophobicContact CE1-CB 4.47Å; Y239-I279 HydrophobicContact CE1-CD1 4.49Å; Y239-I279 HydrophobicContact CE1-CG1 4.14Å; Y239-I279 HydrophobicContact CE1-CG2 3.82Å
240	R	85.6	Confident	73.9	Confident	63 Å²	63	49.4 Å²	49.4	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	119.8	172.4	-168.6	172.2	-178.6	102.3	-3.4	109.8	L278 N394 F397	R240-L278 PolarHBondContact N-O 3.07Å; R240-L278 PolarHBondContact O-N 2.77Å; R240-N394 PolarHBondContact NH1-ND2 3.13Å; R240-F397 HydrophobicContact CB-CD1 4.16Å; R240-F397 HydrophobicContact CB-CD2 4.19Å; R240-F397 HydrophobicContact CB-CE1 4.02Å; R240-F397 HydrophobicContact CB-CE2 4.07Å; R240-F397 HydrophobicContact CB-CG 4.23Å; R240-F397 HydrophobicContact CB-CZ 3.98Å
241	L	85.2	Confident	72.1	Confident	48 Å²	48	46.8 Å²	46.8	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145.6	169.3	-95.4	67.3	0	0	0	110.6	F224 L233 Y243 V275 I276 L277	F224-L241 HydrophobicContact CD2-CD1 4.19Å; F224-L241 HydrophobicContact CD2-CD2 4.48Å; F224-L241 HydrophobicContact CD2-CG 4.5Å; F224-L241 HydrophobicContact CE2-CD1 4.25Å; F224-L241 HydrophobicContact CE2-CD2 4.22Å; F224-L241 HydrophobicContact CE2-CG 4.13Å; L233-L241 HydrophobicContact CD1-CD1 3.72Å; L233-L241 HydrophobicContact CD1-CD2 4.25Å; L233-L241 HydrophobicContact CD2-CD1 3.72Å; L233-L241 HydrophobicContact CG-CD1 4.27Å; L241-Y243 HydrophobicContact CB-CE2 4.37Å; L241-Y243 HydrophobicContact CD2-CE2 4Å; L241-V275 HydrophobicContact CB-CG1 4.48Å; L241-V275 HydrophobicContact CD2-CG1 3.81Å; L241-V275 HydrophobicContact CG-CG1 3.86Å; L241-I276 CarbonylContact C-O 3.39Å; L241-I276 WeakPolarHBondContact CA-O 3.49Å; L241-L277 HydrophobicContact CD1-CD1 3.84Å
242	I	78.1	Confident	70.2	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.6	167.2	-60.1	173.4	0	0	0	107.5	I244 V275 I276 L278 T366 F368 V399	I242-I244 HydrophobicContact CG2-CD1 3.99Å; I242-I244 HydrophobicContact CG2-CG1 3.67Å; I242-V275 CarbonylContact O-C 3.59Å; I242-V275 VanDerWaalsContact O-CA 3.3Å; I242-V275 WeakPolarHBondContact O-CA 3.07Å; I242-I276 HydrophobicContact CB-CB 4.41Å; I242-I276 PolarHBondContact N-O 2.87Å; I242-I276 PolarHBondContact O-N 3.1Å; I242-L278 HydrophobicContact CD1-CD1 3.67Å; I242-L278 HydrophobicContact CD1-CG 4.23Å; I242-T366 HydrophobicContact CB-CG2 4.42Å; I242-T366 HydrophobicContact CD1-CG2 4.01Å; I242-T366 HydrophobicContact CG1-CG2 4.19Å; I242-T366 HydrophobicContact CG2-CG2 3.4Å; I242-F368 HydrophobicContact CD1-CD1 4.43Å; I242-V399 HydrophobicContact CD1-CG1 3.81Å; I242-V399 HydrophobicContact CD1-CG2 3.81Å
243	Y	76.5	Confident	68.6	Low	28 Å²	28	44.5 Å²	44.5	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.8	170.5	-71.8	-109.5	0	0	0	108.6	L219 V222 L241 G250 P252 V275	L219-Y243 HydrophobicContact CB-CD1 4.31Å; L219-Y243 HydrophobicContact CD1-CD1 4.11Å; V222-Y243 HydrophobicContact CG2-CE1 4.17Å; V222-Y243 PolarHBondContact N-OH 3.34Å; L241-Y243 HydrophobicContact CB-CE2 4.37Å; L241-Y243 HydrophobicContact CD2-CE2 4Å; Y243-G250 WeakPolarHBondContact CB-O 3.46Å; Y243-P252 HydrophobicContact CD1-CB 4.39Å; Y243-P252 HydrophobicContact CE1-CB 3.62Å; Y243-P252 HydrophobicContact CE1-CG 3.87Å; Y243-P252 HydrophobicContact CE2-CG 3.97Å; Y243-V275 HydrophobicContact CD1-CG2 3.23Å; Y243-V275 HydrophobicContact CD2-CG2 4.14Å; Y243-V275 HydrophobicContact CE1-CG2 3.32Å; Y243-V275 HydrophobicContact CE2-CG1 4.35Å; Y243-V275 HydrophobicContact CE2-CG2 4.21Å; Y243-V275 HydrophobicContact CG-CG2 3.66Å
244	I	69.7	Low	66.7	Low	12 Å²	12	47.8 Å²	47.8	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.7	-175.8	-48.5	-177	0	0	0	109.2	I242 G273 A274 I276 L334 Y335 F368	I242-I244 HydrophobicContact CG2-CD1 3.99Å; I242-I244 HydrophobicContact CG2-CG1 3.67Å; I244-G273 CarbonylContact O-C 3.51Å; I244-G273 WeakPolarHBondContact O-CA 3.42Å; I244-A274 PolarHBondContact N-O 3Å; I244-A274 PolarHBondContact O-N 3.35Å; I244-I276 HydrophobicContact CD1-CD1 3.55Å; I244-I276 HydrophobicContact CD1-CG1 4.2Å; I244-L334 HydrophobicContact CB-CD1 4.14Å; I244-L334 HydrophobicContact CG2-CB 4.17Å; I244-L334 HydrophobicContact CG2-CD1 3.82Å; I244-L334 HydrophobicContact CG2-CG 4.5Å; I244-Y335 HydrophobicContact CG2-CE1 4.26Å; I244-F368 HydrophobicContact CD1-CE1 4.38Å
245	G	62.5	Low	65.1	Low	13 Å²	13	47.4 Å²	47.4	13%	0.134	24%	0.242	C	C	.	.	S	Bend	trans	79.1	-163.5	-175.3	0	0	0	0	0	113.2
246	G	60.1	Low	63.4	Low	10 Å²	10	44.3 Å²	44.3	10%	0.103	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-131.6	-174	0	0	0	0	0	113.4	D248 K271	G246-D248 VanDerWaalsContact C-N 3.29Å; G246-D248 PolarHBondContact O-N 3.33Å; G246-K271 PolarHBondContact N-O 3.1Å
247	D	52.8	Low	61.4	Low	52 Å²	52	41.8 Å²	41.8	28%	0.278	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	22.1	-178.7	60.4	-7.4	0	0	0	113.3	S218 S249 Y256 F267	S218-D247 WeakPolarHBondContact CB-OD2 3.39Å; D247-S249 PolarHBondContact O-N 2.87Å; D247-S249 WeakPolarHBondContact OD1-CB 3.48Å; D247-S249 PolarHBondContact OD1-N 2.91Å; D247-S249 PolarHBondContact OD1-OG 3Å; D247-Y256 PolarHBondContact OD2-OH 2.9Å; D247-Y256 VanDerWaalsContact OD2-OH 3.08Å; D247-F267 HydrophobicContact CB-CE2 4.44Å
248	D	48	Very low	59.1	Low	36 Å²	36	42.4 Å²	42.4	19%	0.193	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	13	-171.6	-62.1	-14.4	0	0	0	114.9	G246 F267 K271 T363 N364	G246-D248 VanDerWaalsContact C-N 3.29Å; G246-D248 PolarHBondContact O-N 3.33Å; D248-F267 HydrophobicContact CB-CZ 4.25Å; D248-K271 IonicContact OD1-NZ 2.86Å; D248-K271 PolarHBondContact OD1-NZ 3.37Å; D248-K271 IonicContact OD2-NZ 3.75Å; D248-K271 PolarHBondContact OD2-NZ 3.45Å; D248-T363 HydrophobicContact CB-CG2 3.7Å; D248-T363 WeakPolarHBondContact O-CB 3.19Å; D248-N364 PolarHBondContact O-N 3.32Å
249	S	46.4	Very low	56.5	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.9	170.9	74.5	0	0	0	0	113.2	D247 L251 Y256 N364	D247-S249 PolarHBondContact O-N 2.87Å; D247-S249 WeakPolarHBondContact OD1-CB 3.48Å; D247-S249 PolarHBondContact OD1-N 2.91Å; D247-S249 PolarHBondContact OD1-OG 3Å; S249-L251 PolarHBondContact O-N 2.61Å; S249-L251 PolarHBondContact OG-N 3.14Å; S249-Y256 WeakPolarHBondContact CB-OH 3.37Å; S249-Y256 PolarHBondContact OG-OH 3.29Å; S249-Y256 VanDerWaalsContact OG-OH 3.11Å; S249-N364 WeakPolarHBondContact O-CB 3.33Å; S249-N364 PolarHBondContact O-ND2 2.97Å
250	G	47.3	Very low	53.8	Low	19 Å²	19	45.7 Å²	45.7	20%	0.196	23%	0.232	C	C	.	.			trans	61.5	23.8	-174.4	0	0	0	0	0	114.8	Y243	Y243-G250 WeakPolarHBondContact CB-O 3.46Å
251	L	51.6	Low	51.3	Low	51 Å²	51	45 Å²	45	27%	0.267	23%	0.232	S	C	.	.			trans	-135.1	144.2	-178.9	-67.6	175	0	0	0	112.3	S249 I255 Y256	S249-L251 PolarHBondContact O-N 2.61Å; S249-L251 PolarHBondContact OG-N 3.14Å; L251-I255 HydrophobicContact CD1-CG2 4.42Å; L251-I255 HydrophobicContact CD2-CG2 4.08Å; L251-Y256 HydrophobicContact CB-CD2 4.44Å; L251-Y256 HydrophobicContact CB-CE2 4.1Å
252	P	48.9	Very low	48.8	Very low	1 Å²	1	50 Å²	50	1%	0.006	25%	0.252	C	S	.	.			trans	-80.4	155.9	172	34.6	-36.5	0	0	0	112.1	L219 T221 Y243 E254 I255	L219-P252 WeakPolarHBondContact O-CA 3.48Å; T221-P252 HydrophobicContact CG2-CB 3.72Å; T221-P252 HydrophobicContact CG2-CG 4.13Å; Y243-P252 HydrophobicContact CD1-CB 4.39Å; Y243-P252 HydrophobicContact CE1-CB 3.62Å; Y243-P252 HydrophobicContact CE1-CG 3.87Å; Y243-P252 HydrophobicContact CE2-CG 3.97Å; P252-E254 VanDerWaalsContact C-N 3.31Å; P252-E254 PolarHBondContact O-N 3.39Å; P252-E254 VanDerWaalsContact O-N 3.11Å; P252-I255 HydrophobicContact CG-CB 4.39Å; P252-I255 HydrophobicContact CG-CD1 3.77Å; P252-I255 HydrophobicContact CG-CG1 3.98Å; P252-I255 PolarHBondContact O-N 3.39Å
253	W	50.4	Low	46.5	Very low	57 Å²	57	54.3 Å²	54.3	22%	0.216	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-50.4	-40.4	-173	-161.5	-99.9	0	0	0	115.1	I45 P217 L219 I255 Y256	I45-W253 HydrophobicContact CD1-CD2 4.09Å; I45-W253 HydrophobicContact CD1-CG 4.22Å; I45-W253 HydrophobicContact CD1-CZ2 4.1Å; P217-W253 HydrophobicContact CB-CE3 4.2Å; P217-W253 HydrophobicContact CB-CH2 3.76Å; P217-W253 HydrophobicContact CB-CZ3 3.51Å; P217-W253 HydrophobicContact CG-CD2 4.06Å; P217-W253 HydrophobicContact CG-CE3 3.62Å; P217-W253 HydrophobicContact CG-CH2 3.41Å; P217-W253 VanDerWaalsContact CG-CH2 3.41Å; P217-W253 HydrophobicContact CG-CZ2 3.84Å; P217-W253 HydrophobicContact CG-CZ3 3.29Å; L219-W253 PolarHBondContact O-N 3.34Å; W253-I255 PolarHBondContact O-N 2.84Å; W253-Y256 WeakPolarHBondContact O-CB 3.22Å; W253-Y256 PolarHBondContact O-N 3.18Å
254	E	43.1	Very low	44.5	Very low	118 Å²	118	56.2 Å²	56.2	55%	0.551	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.1	-18.9	179.9	-72.5	169.4	-137.5	0	0	114.8	T221 P252	T221-E254 WeakPolarHBondContact CB-OE1 3.39Å; T221-E254 HydrophobicContact CG2-CB 3.74Å; T221-E254 HydrophobicContact CG2-CG 3.72Å; T221-E254 VanDerWaalsContact CG2-OE1 3.23Å; T221-E254 WeakPolarHBondContact CG2-OE1 3.24Å; T221-E254 PolarHBondContact OG1-OE1 3.49Å; P252-E254 VanDerWaalsContact C-N 3.31Å; P252-E254 PolarHBondContact O-N 3.39Å; P252-E254 VanDerWaalsContact O-N 3.11Å
255	I	44.5	Very low	42.8	Very low	98 Å²	98	60.6 Å²	60.6	50%	0.503	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-90.4	-19.3	-179.7	-62.8	-177.9	0	0	0	111.4	L251 P252 W253 S257	L251-I255 HydrophobicContact CD1-CG2 4.42Å; L251-I255 HydrophobicContact CD2-CG2 4.08Å; P252-I255 HydrophobicContact CG-CB 4.39Å; P252-I255 HydrophobicContact CG-CD1 3.77Å; P252-I255 HydrophobicContact CG-CG1 3.98Å; P252-I255 PolarHBondContact O-N 3.39Å; W253-I255 PolarHBondContact O-N 2.84Å; I255-S257 PolarHBondContact O-N 3.23Å; I255-S257 VanDerWaalsContact O-N 3.15Å; I255-S257 PolarHBondContact O-OG 3.11Å
256	Y	45.1	Very low	41.3	Very low	17 Å²	17	64.2 Å²	64.2	7%	0.067	31%	0.314	C	S	.	.			trans	-59.4	121.9	168.5	-76.9	-117.5	0	0	0	109	I45 D247 S249 L251 W253 H261	I45-Y256 VanDerWaalsContact CG1-O 3.29Å; I45-Y256 WeakPolarHBondContact CG1-O 3.3Å; I45-Y256 HydrophobicContact CG2-CD1 4.21Å; D247-Y256 PolarHBondContact OD2-OH 2.9Å; D247-Y256 VanDerWaalsContact OD2-OH 3.08Å; S249-Y256 WeakPolarHBondContact CB-OH 3.37Å; S249-Y256 PolarHBondContact OG-OH 3.29Å; S249-Y256 VanDerWaalsContact OG-OH 3.11Å; L251-Y256 HydrophobicContact CB-CD2 4.44Å; L251-Y256 HydrophobicContact CB-CE2 4.1Å; W253-Y256 WeakPolarHBondContact O-CB 3.22Å; W253-Y256 PolarHBondContact O-N 3.18Å; Y256-H261 AromaticContact CE1-CD2 3.91Å
257	S	36.4	Very low	40.3	Very low	50 Å²	50	66.3 Å²	66.3	35%	0.35	32%	0.32	S	S	.	.			trans	-167.2	-4	173.8	49.6	0	0	0	0	113.6	I255	I255-S257 PolarHBondContact O-N 3.23Å; I255-S257 VanDerWaalsContact O-N 3.15Å; I255-S257 PolarHBondContact O-OG 3.11Å
258	Q	32.8	Very low	39.5	Very low	123 Å²	123	68.3 Å²	68.3	58%	0.575	33%	0.327	S	S	*	.	S	Bend	trans	-128.9	-9.2	-157.7	-49.6	-154.3	-7.7	0	0	117.3	Y130	Y130-Q258 HydrophobicContact CE1-CB 4.06Å; Y130-Q258 HydrophobicContact CE1-CG 4.43Å; Y130-Q258 VanDerWaalsContact OH-CD 3.24Å; Y130-Q258 VanDerWaalsContact OH-CG 3.28Å; Y130-Q258 WeakPolarHBondContact OH-CG 3.28Å
259	K	32	Very low	39.3	Very low	127 Å²	127	75.6 Å²	75.6	55%	0.552	36%	0.357	S	S	*	.			trans	-164.4	147.3	171.4	-102.6	136.1	-175.3	179.5	0	111.8
260	P	32.1	Very low	39.5	Very low	30 Å²	30	78.6 Å²	78.6	20%	0.195	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-70	133.3	166.1	30	-32.5	0	0	0	110.4	M46 P48	M46-P260 VanDerWaalsContact O-CA 3.32Å; M46-P260 WeakPolarHBondContact O-CA 3.41Å; P48-P260 HydrophobicContact CG-CB 4.26Å
261	H	33.5	Very low	39.8	Very low	50 Å²	50	80.3 Å²	80.3	23%	0.231	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-70	136.9	164.6	-87.5	-109.8	0	0	0	109.8	P48 Y256	P48-H261 VanDerWaalsContact CD-O 3.23Å; P48-H261 WeakPolarHBondContact CD-O 3.31Å; P48-H261 VanDerWaalsContact CG-O 3.24Å; P48-H261 WeakPolarHBondContact CG-O 3.49Å; Y256-H261 AromaticContact CE1-CD2 3.91Å
262	F	32.1	Very low	40.2	Very low	152 Å²	152	80.5 Å²	80.5	67%	0.667	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-79.7	152.3	173.2	-87.2	-95.8	0	0	0	110.7	Y134 Q264	Y134-F262 WeakPolarHBondContact OH-CZ 3.42Å; F262-Q264 PolarHBondContact O-N 3.29Å; F262-Q264 VanDerWaalsContact O-N 3.09Å
263	R	31.2	Very low	41.5	Very low	97 Å²	97	80.6 Å²	80.6	37%	0.366	38%	0.378	S	S	.	.			trans	-54.2	110.5	-175.3	-72.5	-179.3	170.9	142.1	4.1	113.2	D50 H178	D50-R263 VanDerWaalsContact CG-NH2 3.3Å; D50-R263 IonicContact OD1-NH2 2.77Å; D50-R263 PolarHBondContact OD1-NH2 3.45Å; D50-R263 IonicContact OD2-CZ 2.75Å; D50-R263 IonicContact OD2-NE 2.78Å; D50-R263 PolarHBondContact OD2-NE 2.79Å; D50-R263 IonicContact OD2-NH2 2.76Å; D50-R263 PolarHBondContact OD2-NH2 3.21Å; H178-R263 PolarHBondContact CD2-NH2 3.24Å; H178-R263 VanDerWaalsContact CE1-CZ 3.44Å; H178-R263 PolarHBondContact CE1-NH1 2.79Å; H178-R263 PolarHBondContact CE1-NH2 2.9Å; H178-R263 PolarHBondContact ND1-NH2 3.45Å; H178-R263 VanDerWaalsContact ND1-NH2 3.18Å; H178-R263 PolarHBondContact NE2-NH1 3.33Å; H178-R263 VanDerWaalsContact NE2-NH1 3.13Å; H178-R263 PolarHBondContact NE2-NH2 3.27Å
264	Q	33.7	Very low	42.9	Very low	68 Å²	68	77.9 Å²	77.9	32%	0.318	37%	0.367	S	S	.	.			trans	-139.6	86.2	153.4	-68.7	-168.6	-0.9	0	0	108.7	F262 N266 N360	F262-Q264 PolarHBondContact O-N 3.29Å; F262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-N266 PolarHBondContact O-N 3.37Å; Q264-N360 PolarHBondContact OE1-ND2 3.08Å
265	E	33.5	Very low	45	Very low	103 Å²	103	72.2 Å²	72.2	48%	0.481	34%	0.341	S	S	.	.			trans	-74.6	23.3	176.1	-60.1	-151.1	141.2	0	0	113.4	R51 F267	R51-E265 IonicContact CZ-OE1 2.69Å; R51-E265 IonicContact CZ-OE2 2.76Å; R51-E265 IonicContact NE-OE1 2.66Å; R51-E265 PolarHBondContact NE-OE1 3.46Å; R51-E265 IonicContact NE-OE2 2.82Å; R51-E265 IonicContact NH2-OE1 3.18Å; R51-E265 PolarHBondContact NH2-OE1 3.16Å; R51-E265 VanDerWaalsContact NH2-OE1 3.1Å; R51-E265 IonicContact NH2-OE2 2.63Å; R51-E265 PolarHBondContact NH2-OE2 3.08Å; E265-F267 PolarHBondContact O-N 3.13Å
266	N	32.3	Very low	47	Very low	89 Å²	89	67.6 Å²	67.6	48%	0.476	32%	0.317	S	S	.	.			trans	-85.5	51	-168.8	-70.7	5.7	0	0	0	113	Q264	Q264-N266 PolarHBondContact O-N 3.37Å
267	F	37.9	Very low	49.2	Very low	54 Å²	54	66.8 Å²	66.8	24%	0.237	31%	0.314	C	S	.	.			trans	-120.6	63	174.1	-79	-69.9	0	0	0	113.1	D247 D248 E265 K269 K271	D247-F267 HydrophobicContact CB-CE2 4.44Å; D248-F267 HydrophobicContact CB-CZ 4.25Å; E265-F267 PolarHBondContact O-N 3.13Å; F267-K269 VanDerWaalsContact C-N 3.34Å; F267-K269 CarbonylContact O-C 3.55Å; F267-K269 PolarHBondContact O-N 3.1Å; F267-K271 HydrophobicContact CE1-CD 3.98Å; F267-K271 HydrophobicContact CE1-CG 3.97Å
268	K	37.2	Very low	51.7	Low	95 Å²	95	64.4 Å²	64.4	41%	0.413	30%	0.297	S	S	.	.	S	Bend	trans	-61.3	98	154.8	-67.8	174.2	-173.8	170.4	0	107.7	Y562 D576	K268-Y562 HydrophobicContact CD-CE1 4.34Å; K268-Y562 HydrophobicContact CD-CE2 4.26Å; K268-Y562 VanDerWaalsContact CE-CZ 3.45Å; K268-Y562 VanDerWaalsContact NZ-CE2 3.27Å; K268-Y562 PolarHBondContact NZ-OH 3.17Å; K268-Y562 VanDerWaalsContact NZ-OH 3.14Å; K268-D576 WeakPolarHBondContact CE-OD1 3.12Å; K268-D576 WeakPolarHBondContact CE-OD2 3.17Å; K268-D576 IonicContact NZ-OD1 2.74Å; K268-D576 PolarHBondContact NZ-OD1 3.31Å; K268-D576 IonicContact NZ-OD2 2.9Å; K268-D576 PolarHBondContact NZ-OD2 2.84Å
269	K	42.5	Very low	54.5	Low	189 Å²	189	58.6 Å²	58.6	82%	0.822	27%	0.27	S	S	*	.	S	Bend	trans	72.3	118.2	-161.2	-52.1	170.7	-176.6	173.7	0	111.7	F267 K271	F267-K269 VanDerWaalsContact C-N 3.34Å; F267-K269 CarbonylContact O-C 3.55Å; F267-K269 PolarHBondContact O-N 3.1Å; K269-K271 PolarHBondContact O-N 3.38Å
270	H	51.3	Low	57.2	Low	63 Å²	63	54.3 Å²	54.3	29%	0.292	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-63.1	132.1	166.2	-65.5	1.7	0	0	0	108.4	L214 Q216	L214-H270 HydrophobicContact CD2-CB 4.16Å; Q216-H270 WeakPolarHBondContact CG-NE2 3.21Å; Q216-H270 PolarHBondContact NE2-NE2 3.45Å
271	K	54.1	Low	59.9	Low	55 Å²	55	55.4 Å²	55.4	24%	0.239	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65.7	135.9	172.9	-70	173.3	-169.1	160.1	0	108.3	G246 D248 F267 K269 G273	G246-K271 PolarHBondContact N-O 3.1Å; D248-K271 IonicContact OD1-NZ 2.86Å; D248-K271 PolarHBondContact OD1-NZ 3.37Å; D248-K271 IonicContact OD2-NZ 3.75Å; D248-K271 PolarHBondContact OD2-NZ 3.45Å; F267-K271 HydrophobicContact CE1-CD 3.98Å; F267-K271 HydrophobicContact CE1-CG 3.97Å; K269-K271 PolarHBondContact O-N 3.38Å; K271-G273 PolarHBondContact O-N 2.81Å
272	P	60.2	Low	62.6	Low	54 Å²	54	53.1 Å²	53.1	35%	0.351	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-56	139.7	171	26.3	-35.3	0	0	0	109.9	L214 Y333 L334	L214-P272 HydrophobicContact CD2-CB 4.4Å; P272-Y333 HydrophobicContact CB-CD2 4.39Å; P272-Y333 HydrophobicContact CB-CE2 3.8Å; P272-Y333 HydrophobicContact CG-CD2 3.61Å; P272-Y333 HydrophobicContact CG-CE2 3.51Å; P272-L334 WeakPolarHBondContact O-CD2 3.05Å
273	G	75.2	Confident	65.4	Low	3 Å²	3	49.9 Å²	49.9	3%	0.031	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-97.7	161.4	177.4	0	0	0	0	0	112	L212 I244 K271	L212-G273 PolarHBondContact N-O 2.78Å; I244-G273 CarbonylContact O-C 3.51Å; I244-G273 WeakPolarHBondContact O-CA 3.42Å; K271-G273 PolarHBondContact O-N 2.81Å
274	A	81.4	Confident	68.1	Low	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.4	164.8	0	0	0	0	0	110.2	I209 C210 I244 L331 L334	I209-A274 HydrophobicContact CG2-CB 4.28Å; C210-A274 CarbonylContact O-C 3.49Å; C210-A274 VanDerWaalsContact O-CA 3.31Å; C210-A274 WeakPolarHBondContact O-CA 3.11Å; I244-A274 PolarHBondContact N-O 3Å; I244-A274 PolarHBondContact O-N 3.35Å; A274-L331 HydrophobicContact CB-CD2 4.5Å; A274-L334 HydrophobicContact CB-CD1 3.8Å; A274-L334 HydrophobicContact CB-CD2 4.27Å
275	V	86.3	Confident	70.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.8	167.3	175.1	0	0	0	0	109.5	C210 L212 V222 F224 L241 I242 Y243	C210-V275 HydrophobicContact CB-CB 4.49Å; C210-V275 WeakPolarHBondContact CB-O 3.35Å; C210-V275 PolarHBondContact N-O 3.26Å; C210-V275 PolarHBondContact O-N 2.91Å; L212-V275 HydrophobicContact CD1-CG2 3.85Å; L212-V275 HydrophobicContact CD2-CG2 4.34Å; L212-V275 HydrophobicContact CG-CG2 4.33Å; V222-V275 HydrophobicContact CB-CB 4.49Å; V222-V275 HydrophobicContact CB-CG1 4.29Å; V222-V275 HydrophobicContact CB-CG2 4.42Å; V222-V275 HydrophobicContact CG1-CB 4.43Å; V222-V275 HydrophobicContact CG1-CG1 4.2Å; V222-V275 HydrophobicContact CG2-CB 4.02Å; V222-V275 HydrophobicContact CG2-CG1 4.33Å; V222-V275 HydrophobicContact CG2-CG2 3.66Å; F224-V275 HydrophobicContact CE2-CG1 3.76Å; F224-V275 HydrophobicContact CZ-CG1 4.07Å; L241-V275 HydrophobicContact CB-CG1 4.48Å; L241-V275 HydrophobicContact CD2-CG1 3.81Å; L241-V275 HydrophobicContact CG-CG1 3.86Å; I242-V275 CarbonylContact O-C 3.59Å; I242-V275 VanDerWaalsContact O-CA 3.3Å; I242-V275 WeakPolarHBondContact O-CA 3.07Å; Y243-V275 HydrophobicContact CD1-CG2 3.23Å; Y243-V275 HydrophobicContact CD2-CG2 4.14Å; Y243-V275 HydrophobicContact CE1-CG2 3.32Å; Y243-V275 HydrophobicContact CE2-CG1 4.35Å; Y243-V275 HydrophobicContact CE2-CG2 4.21Å; Y243-V275 HydrophobicContact CG-CG2 3.66Å
276	I	85.7	Confident	73.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	177.9	-59.3	-175.8	0	0	0	108.4	V207 V208 I209 L241 I242 I244 L278 L331 F368	V207-I276 HydrophobicContact CG1-CD1 4.46Å; V207-I276 HydrophobicContact CG1-CG2 3.65Å; V208-I276 CarbonylContact O-C 3.52Å; V208-I276 WeakPolarHBondContact O-CA 3.49Å; I209-I276 HydrophobicContact CG1-CG1 4.33Å; I209-I276 HydrophobicContact CG2-CG1 4.46Å; L241-I276 CarbonylContact C-O 3.39Å; L241-I276 WeakPolarHBondContact CA-O 3.49Å; I242-I276 HydrophobicContact CB-CB 4.41Å; I242-I276 PolarHBondContact N-O 2.87Å; I242-I276 PolarHBondContact O-N 3.1Å; I244-I276 HydrophobicContact CD1-CD1 3.55Å; I244-I276 HydrophobicContact CD1-CG1 4.2Å; I276-L278 HydrophobicContact CG2-CD2 3.65Å; I276-L278 HydrophobicContact CG2-CG 4.16Å; I276-L331 HydrophobicContact CD1-CD1 3.57Å; I276-L331 HydrophobicContact CD1-CD2 3.91Å; I276-L331 HydrophobicContact CD1-CG 4.41Å; I276-L331 HydrophobicContact CG1-CD2 4.47Å; I276-F368 HydrophobicContact CD1-CD1 4.29Å; I276-F368 HydrophobicContact CD1-CE1 3.4Å; I276-F368 HydrophobicContact CD1-CZ 3.95Å
277	L	91.2	Very high	76.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.9	163.2	171.5	66.7	0	0	0	108.1	V208 F224 L231 L233 Y239 L241 I279 Y290	V208-L277 HydrophobicContact CB-CB 4.3Å; V208-L277 PolarHBondContact N-O 2.93Å; V208-L277 PolarHBondContact O-N 3.15Å; F224-L277 HydrophobicContact CB-CD2 4.02Å; F224-L277 HydrophobicContact CD1-CB 4.12Å; F224-L277 HydrophobicContact CD1-CD2 4.01Å; F224-L277 HydrophobicContact CD2-CB 4.02Å; F224-L277 HydrophobicContact CD2-CD2 4.37Å; F224-L277 HydrophobicContact CE1-CB 3.9Å; F224-L277 HydrophobicContact CE2-CB 3.8Å; F224-L277 HydrophobicContact CG-CB 4.17Å; F224-L277 HydrophobicContact CG-CD2 3.88Å; F224-L277 HydrophobicContact CZ-CB 3.73Å; L231-L277 HydrophobicContact CD1-CD2 3.64Å; L233-L277 HydrophobicContact CD2-CD1 3.97Å; Y239-L277 HydrophobicContact CD1-CD1 4.13Å; Y239-L277 HydrophobicContact CG-CD1 4.42Å; L241-L277 HydrophobicContact CD1-CD1 3.84Å; L277-I279 HydrophobicContact CD2-CD1 4.17Å; L277-I279 HydrophobicContact CD2-CG1 4.19Å; L277-I279 HydrophobicContact CG-CD1 4.48Å; L277-I279 HydrophobicContact CG-CG1 3.99Å; L277-Y290 HydrophobicContact CD2-CD1 4.28Å; L277-Y290 HydrophobicContact CD2-CE1 4.37Å
278	L	89.3	Confident	79	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135	166.2	-58.7	-176.6	0	0	0	110	T205 A206 V207 Y239 R240 I242 I276 I370 F397 V399	T205-L278 HydrophobicContact CG2-CB 4.32Å; A206-L278 WeakPolarHBondContact O-CA 3.14Å; V207-L278 HydrophobicContact CB-CD2 4.31Å; V207-L278 HydrophobicContact CG1-CD2 4.27Å; V207-L278 HydrophobicContact CG2-CD2 3.85Å; Y239-L278 WeakPolarHBondContact CA-O 3.37Å; R240-L278 PolarHBondContact N-O 3.07Å; R240-L278 PolarHBondContact O-N 2.77Å; I242-L278 HydrophobicContact CD1-CD1 3.67Å; I242-L278 HydrophobicContact CD1-CG 4.23Å; I276-L278 HydrophobicContact CG2-CD2 3.65Å; I276-L278 HydrophobicContact CG2-CG 4.16Å; L278-I370 HydrophobicContact CD1-CD1 4.42Å; L278-I370 HydrophobicContact CD2-CD1 3.78Å; L278-F397 HydrophobicContact CB-CD1 3.66Å; L278-F397 HydrophobicContact CB-CE1 4.07Å; L278-F397 HydrophobicContact CD1-CB 4.02Å; L278-F397 HydrophobicContact CD1-CD1 4.24Å; L278-V399 HydrophobicContact CD1-CG2 3.56Å
279	I	91.8	Very high	81.7	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.5	178.7	-50.1	177	0	0	0	108.3	T205 A206 V208 R238 Y239 L277 L282 Y290 L309	T205-I279 CarbonylContact C-O 3.51Å; T205-I279 VanDerWaalsContact CA-O 3.29Å; T205-I279 WeakPolarHBondContact CA-O 3.05Å; A206-I279 HydrophobicContact CB-CB 4.27Å; A206-I279 PolarHBondContact N-O 2.81Å; A206-I279 PolarHBondContact O-N 2.92Å; V208-I279 HydrophobicContact CG2-CD1 4.45Å; R238-I279 WeakPolarHBondContact O-CA 3.43Å; Y239-I279 HydrophobicContact CD1-CB 4.45Å; Y239-I279 HydrophobicContact CD1-CG1 4.06Å; Y239-I279 HydrophobicContact CD1-CG2 4.2Å; Y239-I279 HydrophobicContact CE1-CB 4.47Å; Y239-I279 HydrophobicContact CE1-CD1 4.49Å; Y239-I279 HydrophobicContact CE1-CG1 4.14Å; Y239-I279 HydrophobicContact CE1-CG2 3.82Å; L277-I279 HydrophobicContact CD2-CD1 4.17Å; L277-I279 HydrophobicContact CD2-CG1 4.19Å; L277-I279 HydrophobicContact CG-CD1 4.48Å; L277-I279 HydrophobicContact CG-CG1 3.99Å; I279-L282 HydrophobicContact CB-CD2 4.43Å; I279-L282 HydrophobicContact CG2-CD2 4.2Å; I279-Y290 HydrophobicContact CD1-CE1 3.73Å; I279-Y290 HydrophobicContact CD1-CE2 4.49Å; I279-L309 HydrophobicContact CD1-CD2 4.46Å
280	H	88.1	Confident	84.2	Confident	36 Å²	36	29.7 Å²	29.7	17%	0.167	17%	0.169	C	C	.	.			trans	-146.9	141.2	179	-179.6	96.2	0	0	0	111.8	T205 R238 F397	T205-H280 HydrophobicContact CG2-CB 4.24Å; T205-H280 PolarHBondContact OG1-ND1 3.26Å; R238-H280 VanDerWaalsContact CA-O 3.32Å; R238-H280 WeakPolarHBondContact CA-O 3.49Å; R238-H280 PolarHBondContact O-N 2.88Å; H280-F397 HydrophobicContact CB-CD1 3.82Å; H280-F397 HydrophobicContact CB-CE1 3.53Å; H280-F397 HydrophobicContact CB-CZ 4.12Å
281	S	88.7	Confident	86.2	Confident	54 Å²	54	28.8 Å²	28.8	38%	0.378	16%	0.163	S	C	.	.	S	Bend	cis	-87.6	133.6	-10.7	56.8	0	0	0	0	109.3	G203 Q283	G203-S281 WeakPolarHBondContact O-CB 3.37Å; S281-Q283 PolarHBondContact O-N 3.36Å
282	L	90.7	Very high	88.1	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.153	C	C	.	.			trans	-55.2	133.3	-172.9	-80.6	168.7	0	0	0	114	L200 I202 G203 N204 A206 I279 D286 L309 V311	L200-L282 HydrophobicContact CB-CD1 3.8Å; L200-L282 HydrophobicContact CD1-CD1 4.02Å; I202-L282 WeakPolarHBondContact CG1-O 3.3Å; G203-L282 PolarHBondContact N-O 2.9Å; N204-L282 WeakPolarHBondContact O-CB 3.5Å; N204-L282 VanDerWaalsContact O-CG 3.29Å; N204-L282 WeakPolarHBondContact O-CG 3.4Å; N204-L282 PolarHBondContact O-N 2.88Å; A206-L282 HydrophobicContact CB-CD1 3.97Å; A206-L282 HydrophobicContact CB-CD2 3.75Å; A206-L282 HydrophobicContact CB-CG 4.18Å; I279-L282 HydrophobicContact CB-CD2 4.43Å; I279-L282 HydrophobicContact CG2-CD2 4.2Å; L282-D286 HydrophobicContact CD2-CB 4.15Å; L282-L309 HydrophobicContact CD2-CD2 3.97Å; L282-V311 HydrophobicContact CB-CG1 4.15Å; L282-V311 HydrophobicContact CB-CG2 4.46Å; L282-V311 HydrophobicContact CD2-CG2 3.96Å
283	Q	91.4	Very high	89.6	Confident	83 Å²	83	24.2 Å²	24.2	39%	0.388	14%	0.139	S	C	.	.			trans	-115.8	155.7	177.2	-57.7	-175.8	-16	0	0	110.5	S281 S285 D286 V311	S281-Q283 PolarHBondContact O-N 3.36Å; Q283-S285 WeakPolarHBondContact CB-OG 3.39Å; Q283-S285 PolarHBondContact O-N 3.48Å; Q283-S285 VanDerWaalsContact O-N 3.13Å; Q283-D286 PolarHBondContact N-OD2 3.27Å; Q283-D286 WeakPolarHBondContact O-CB 3.33Å; Q283-D286 PolarHBondContact O-N 2.74Å; Q283-V311 WeakPolarHBondContact O-CG2 3.11Å
284	L	87.8	Confident	90.3	Very high	87 Å²	87	24 Å²	24	46%	0.455	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-54.7	-33.2	175.6	-79.8	163.6	0	0	0	112.6	I202 D286 T287 V311 K313	I202-L284 HydrophobicContact CD1-CG 4.15Å; L284-D286 VanDerWaalsContact C-N 3.28Å; L284-D286 PolarHBondContact O-N 3.18Å; L284-T287 WeakPolarHBondContact O-CB 3.29Å; L284-T287 PolarHBondContact O-N 2.75Å; L284-T287 PolarHBondContact O-OG1 2.77Å; L284-V311 WeakPolarHBondContact CD2-O 3.36Å; L284-K313 HydrophobicContact CD1-CD 4.46Å
285	S	89.4	Confident	90.4	Very high	78 Å²	78	24.7 Å²	24.7	55%	0.545	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-69.1	-16.2	176.5	46.3	0	0	0	0	115.1	H226 Q283 T287	H226-S285 PolarHBondContact CE1-O 3.37Å; Q283-S285 WeakPolarHBondContact CB-OG 3.39Å; Q283-S285 PolarHBondContact O-N 3.48Å; Q283-S285 VanDerWaalsContact O-N 3.13Å; S285-T287 PolarHBondContact O-N 2.95Å
286	D	91.7	Very high	89.9	Confident	6 Å²	6	25.1 Å²	25.1	3%	0.032	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-77.8	-8.8	173.2	-57.8	-46.5	0	0	0	111.4	H226 R238 L282 Q283 L284 G288 Y290 L309 V311	H226-D286 PolarHBondContact NE2-O 3.2Å; R238-D286 IonicContact NH1-OD1 3.95Å; L282-D286 HydrophobicContact CD2-CB 4.15Å; Q283-D286 PolarHBondContact N-OD2 3.27Å; Q283-D286 WeakPolarHBondContact O-CB 3.33Å; Q283-D286 PolarHBondContact O-N 2.74Å; L284-D286 VanDerWaalsContact C-N 3.28Å; L284-D286 PolarHBondContact O-N 3.18Å; D286-G288 PolarHBondContact O-N 3.19Å; D286-Y290 WeakPolarHBondContact O-CE2 3.45Å; D286-Y290 PolarHBondContact O-OH 2.83Å; D286-L309 HydrophobicContact CB-CD2 4.44Å; D286-V311 HydrophobicContact CB-CG2 4.33Å
287	T	92.5	Very high	89.2	Confident	54 Å²	54	29.6 Å²	29.6	33%	0.331	16%	0.164	S	C	.	.			trans	-56.6	131.9	169.2	-59.5	0	0	0	0	110.5	H226 L284 S285 L309 V311	H226-T287 PolarHBondContact NE2-O 3.14Å; L284-T287 WeakPolarHBondContact O-CB 3.29Å; L284-T287 PolarHBondContact O-N 2.75Å; L284-T287 PolarHBondContact O-OG1 2.77Å; S285-T287 PolarHBondContact O-N 2.95Å; T287-L309 CarbonylContact C-O 3.5Å; T287-L309 WeakPolarHBondContact CA-O 3.25Å; T287-V311 PolarHBondContact OG1-N 2.91Å; T287-V311 VanDerWaalsContact OG1-N 3.14Å
288	G	92.8	Very high	88.1	Confident	17 Å²	17	35.8 Å²	35.8	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-165.4	-178.5	0	0	0	0	0	113.6	N227 D286 L309	N227-G288 WeakPolarHBondContact OD1-CA 3.31Å; D286-G288 PolarHBondContact O-N 3.19Å; G288-L309 PolarHBondContact N-O 2.9Å; G288-L309 PolarHBondContact O-N 3.34Å
289	Q	93.5	Very high	87.3	Confident	29 Å²	29	41.4 Å²	41.4	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.8	-177.6	-169.9	-157.5	-83.7	0	0	110.8	H226 N227 R306	H226-Q289 WeakPolarHBondContact CA-O 3.47Å; N227-Q289 PolarHBondContact N-O 3.18Å; N227-Q289 PolarHBondContact OD1-N 3.36Å; Q289-R306 HydrophobicContact CG-CB 3.88Å; Q289-R306 HydrophobicContact CG-CG 4.14Å
290	Y	95.2	Very high	86.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.3	175.7	-65.5	-98.6	0	0	0	111.4	V208 Y225 H226 L231 L277 I279 D286 R306 T307 L309	V208-Y290 HydrophobicContact CG1-CG 4.48Å; V208-Y290 HydrophobicContact CG2-CD2 4.47Å; V208-Y290 HydrophobicContact CG2-CG 4.35Å; Y225-Y290 VanDerWaalsContact O-CA 3.26Å; Y225-Y290 WeakPolarHBondContact O-CA 3.5Å; H226-Y290 HydrophobicContact CB-CD1 4.05Å; H226-Y290 HydrophobicContact CB-CE1 3.75Å; H226-Y290 AromaticContact CD2-CE1 3.68Å; H226-Y290 AromaticContact CD2-CE2 3.43Å; H226-Y290 VanDerWaalsContact CD2-CE2 3.43Å; H226-Y290 WeakPolarHBondContact CD2-CE2 3.41Å; H226-Y290 AromaticContact CD2-CZ 3.24Å; H226-Y290 PolarHBondContact CD2-OH 2.81Å; H226-Y290 AromaticContact CG-CE1 3.92Å; H226-Y290 AromaticContact CG-CZ 3.87Å; H226-Y290 AromaticContact NE2-CE2 3.95Å; H226-Y290 AromaticContact NE2-CZ 3.81Å; L231-Y290 HydrophobicContact CD1-CD1 4.19Å; L231-Y290 HydrophobicContact CD1-CE1 3.95Å; L277-Y290 HydrophobicContact CD2-CD1 4.28Å; L277-Y290 HydrophobicContact CD2-CE1 4.37Å; I279-Y290 HydrophobicContact CD1-CE1 3.73Å; I279-Y290 HydrophobicContact CD1-CE2 4.49Å; D286-Y290 WeakPolarHBondContact O-CE2 3.45Å; D286-Y290 PolarHBondContact O-OH 2.83Å; Y290-R306 CarbonylContact O-C 3.34Å; Y290-R306 WeakPolarHBondContact O-CA 3.48Å; Y290-T307 PolarHBondContact N-O 3.38Å; Y290-T307 PolarHBondContact O-N 2.99Å; Y290-L309 HydrophobicContact CD2-CB 4.12Å; Y290-L309 HydrophobicContact CE2-CB 3.85Å; Y290-L309 HydrophobicContact CE2-CD2 3.8Å; Y290-L309 HydrophobicContact CE2-CG 4.45Å
291	Y	94.1	Very high	86.8	Confident	44 Å²	44	47 Å²	47	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	170	166.2	67.9	-89.5	0	0	0	109.7	Y225 N228	Y225-Y291 HydrophobicContact CD1-CE2 4.34Å; Y225-Y291 AromaticContact CD1-CZ 3.94Å; Y225-Y291 WeakPolarHBondContact CD1-OH 3.47Å; Y225-Y291 HydrophobicContact CD2-CD2 4.22Å; Y225-Y291 AromaticContact CD2-CE2 3.64Å; Y225-Y291 HydrophobicContact CD2-CE2 3.64Å; Y225-Y291 HydrophobicContact CE2-CE2 4.36Å; Y225-Y291 HydrophobicContact CG-CD2 4.41Å; Y225-Y291 HydrophobicContact CG-CE1 4.18Å; Y225-Y291 AromaticContact CG-CE2 3.66Å; Y225-Y291 HydrophobicContact CG-CE2 3.66Å; Y225-Y291 AromaticContact CG-CZ 3.52Å; Y225-Y291 PolarHBondContact N-O 2.98Å; Y225-Y291 PolarHBondContact O-N 2.83Å; Y225-Y291 VanDerWaalsContact O-N 3.15Å; N228-Y291 WeakPolarHBondContact OD1-CE1 3.22Å
292	C	93.7	Very high	86.8	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.5	177.1	58.6	0	0	0	0	112.6	C210 V222 H223 F224 S303	C210-C292 HydrophobicContact CB-CB 3.72Å; C210-C292 WeakPolarHBondContact CB-SG 3.13Å; C210-C292 WeakPolarHBondContact SG-CB 3.22Å; C210-C292 CovalentContact SG-SG 2.03Å; C210-C292 PolarHBondContact SG-SG 3.35Å; V222-C292 HydrophobicContact CG1-CB 4.12Å; H223-C292 CarbonylContact O-C 3.57Å; H223-C292 WeakPolarHBondContact O-CA 3.24Å; F224-C292 HydrophobicContact CD1-CB 4.14Å; F224-C292 HydrophobicContact CE1-CB 4.09Å; C292-S303 PolarHBondContact N-OG 2.86Å; C292-S303 VanDerWaalsContact N-OG 3.13Å; C292-S303 PolarHBondContact O-N 2.79Å; C292-S303 PolarHBondContact O-OG 2.84Å
293	S	91.7	Very high	86.7	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.5	159	69.5	0	0	0	0	110.1	V222 H223 Y225 I301	V222-S293 WeakPolarHBondContact CA-O 3.31Å; H223-S293 PolarHBondContact N-O 3.29Å; H223-S293 PolarHBondContact O-N 3.34Å; Y225-S293 WeakPolarHBondContact CE2-OG 3.33Å; S293-I301 CarbonylContact C-O 3.47Å; S293-I301 VanDerWaalsContact CA-O 3.23Å; S293-I301 WeakPolarHBondContact CA-O 3.14Å; S293-I301 VanDerWaalsContact CB-O 3.24Å; S293-I301 WeakPolarHBondContact CB-O 3.33Å
294	V	89.4	Confident	86.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	176.9	-70	0	0	0	0	110.5	L187 F190 L212 P213 P220 T221 V222 T300 I301	L187-V294 HydrophobicContact CD1-CG2 4.03Å; L187-V294 HydrophobicContact CD2-CG2 4.44Å; F190-V294 HydrophobicContact CE1-CG1 4.41Å; F190-V294 HydrophobicContact CE2-CG2 3.69Å; F190-V294 HydrophobicContact CZ-CB 4.32Å; F190-V294 HydrophobicContact CZ-CG1 3.8Å; F190-V294 HydrophobicContact CZ-CG2 3.75Å; L212-V294 HydrophobicContact CD2-CG1 3.6Å; P213-V294 HydrophobicContact CG-CG2 4.05Å; P220-V294 HydrophobicContact CB-CB 3.95Å; P220-V294 HydrophobicContact CB-CG1 4.37Å; P220-V294 HydrophobicContact CG-CB 3.75Å; P220-V294 HydrophobicContact CG-CG1 3.68Å; P220-V294 HydrophobicContact CG-CG2 4.45Å; T221-V294 CarbonylContact O-C 3.56Å; T221-V294 VanDerWaalsContact O-CA 3.29Å; T221-V294 WeakPolarHBondContact O-CA 3.2Å; V222-V294 HydrophobicContact CG2-CG1 3.97Å; V294-T300 VanDerWaalsContact O-CA 3.29Å; V294-T300 WeakPolarHBondContact O-CA 3.07Å; V294-I301 HydrophobicContact CG2-CD1 3.93Å; V294-I301 HydrophobicContact CG2-CG1 3.39Å; V294-I301 PolarHBondContact N-O 2.86Å; V294-I301 PolarHBondContact O-N 3Å
295	S	83.4	Confident	86.3	Confident	14 Å²	14	48.6 Å²	48.6	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.5	175.5	37.7	0	0	0	0	111.1	P220 T221 K299	P220-S295 WeakPolarHBondContact CA-O 3.27Å; P220-S295 VanDerWaalsContact CB-O 3.28Å; P220-S295 WeakPolarHBondContact CB-O 3.14Å; T221-S295 PolarHBondContact N-O 3.17Å; T221-S295 PolarHBondContact O-N 3.22Å; T221-S295 PolarHBondContact O-OG 3.43Å; T221-S295 PolarHBondContact OG1-O 3.06Å; T221-S295 PolarHBondContact OG1-OG 3.27Å; S295-K299 WeakPolarHBondContact CA-O 3.44Å
296	L	75.5	Confident	86.3	Confident	9 Å²	9	49.9 Å²	49.9	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	110.6	172.1	-168.3	77.2	0	0	0	109.2	L187 Q216 P220 D298 K299	L187-L296 HydrophobicContact CB-CB 4.22Å; L187-L296 HydrophobicContact CB-CD2 4.11Å; L187-L296 HydrophobicContact CD1-CB 4.22Å; L187-L296 HydrophobicContact CD2-CB 3.84Å; L187-L296 HydrophobicContact CG-CB 4.31Å; Q216-L296 WeakPolarHBondContact O-CD2 2.99Å; P220-L296 HydrophobicContact CB-CB 4.28Å; P220-L296 HydrophobicContact CB-CD1 4.39Å; L296-D298 PolarHBondContact O-N 2.98Å; L296-K299 PolarHBondContact N-O 3.03Å; L296-K299 PolarHBondContact O-N 2.96Å
297	F	71	Confident	86.3	Confident	94 Å²	94	49.9 Å²	49.9	41%	0.412	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	-134.9	-164.8	-53	-80.8	0	0	0	110.2	K299	F297-K299 PolarHBondContact O-N 2.83Å
298	D	67.7	Low	86.3	Confident	129 Å²	129	49.4 Å²	49.4	69%	0.69	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.7	-175.8	-37	-57.3	0	0	0	114	L296	L296-D298 PolarHBondContact O-N 2.98Å
299	K	72.7	Confident	86.3	Confident	118 Å²	118	48.7 Å²	48.7	51%	0.513	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.6	-176.9	-74.5	-175.5	177	178.5	0	111.8	L187 S295 L296 F297	L187-K299 HydrophobicContact CD2-CB 4.04Å; S295-K299 WeakPolarHBondContact CA-O 3.44Å; L296-K299 PolarHBondContact N-O 3.03Å; L296-K299 PolarHBondContact O-N 2.96Å; F297-K299 PolarHBondContact O-N 2.83Å
300	T	82.6	Confident	86.2	Confident	104 Å²	104	50.8 Å²	50.8	64%	0.638	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.5	171.5	65.4	0	0	0	0	110.5	V294	V294-T300 VanDerWaalsContact O-CA 3.29Å; V294-T300 WeakPolarHBondContact O-CA 3.07Å
301	I	86.9	Confident	86	Confident	52 Å²	52	51 Å²	51	27%	0.267	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.6	174.9	58	172.2	0	0	0	110.2	L187 P188 F190 P213 S293 V294	L187-I301 HydrophobicContact CD1-CD1 4.49Å; L187-I301 HydrophobicContact CD2-CD1 4.47Å; L187-I301 HydrophobicContact CD2-CG1 4.18Å; L187-I301 HydrophobicContact CG-CD1 4.09Å; L187-I301 HydrophobicContact CG-CG1 4.34Å; P188-I301 WeakPolarHBondContact O-CD1 3.36Å; F190-I301 HydrophobicContact CD2-CD1 4.08Å; F190-I301 HydrophobicContact CD2-CG1 4.25Å; F190-I301 HydrophobicContact CE2-CD1 4.26Å; F190-I301 HydrophobicContact CE2-CG1 4Å; P213-I301 HydrophobicContact CG-CD1 4.45Å; S293-I301 CarbonylContact C-O 3.47Å; S293-I301 VanDerWaalsContact CA-O 3.23Å; S293-I301 WeakPolarHBondContact CA-O 3.14Å; S293-I301 VanDerWaalsContact CB-O 3.24Å; S293-I301 WeakPolarHBondContact CB-O 3.33Å; V294-I301 HydrophobicContact CG2-CD1 3.93Å; V294-I301 HydrophobicContact CG2-CG1 3.39Å; V294-I301 PolarHBondContact N-O 2.86Å; V294-I301 PolarHBondContact O-N 3Å
302	S	88.2	Confident	85.7	Confident	70 Å²	70	51.2 Å²	51.2	49%	0.49	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.5	-178.1	-58.7	0	0	0	0	112.2	F190	F190-S302 VanDerWaalsContact CD2-O 3.26Å; F190-S302 WeakPolarHBondContact CD2-O 3.35Å
303	S	89.8	Confident	85.2	Confident	14 Å²	14	57.4 Å²	57.4	10%	0.098	30%	0.297	C	S	.	.			trans	-73.2	133.7	173.9	68.2	0	0	0	0	110.5	F190 C292 Q305	F190-S303 VanDerWaalsContact CE2-N 3.29Å; C292-S303 PolarHBondContact N-OG 2.86Å; C292-S303 VanDerWaalsContact N-OG 3.13Å; C292-S303 PolarHBondContact O-N 2.79Å; C292-S303 PolarHBondContact O-OG 2.84Å; S303-Q305 VanDerWaalsContact C-N 3.33Å; S303-Q305 PolarHBondContact OG-O 2.89Å; S303-Q305 VanDerWaalsContact OG-O 3.06Å
304	N	84.8	Confident	84.7	Confident	148 Å²	148	59.2 Å²	59.2	79%	0.791	31%	0.308	S	S	*	.	S	Bend	trans	-70.6	-35.7	168.6	-69.6	-9.3	0	0	0	110.9
305	Q	85	Confident	84	Confident	27 Å²	27	66.9 Å²	66.9	13%	0.126	35%	0.349	C	S	.	.			trans	-62.1	135.6	177.2	-170.2	-174.5	20.5	0	0	111.6	H193 S194 D195 H211 S303	H193-Q305 HydrophobicContact CB-CG 4.3Å; S194-Q305 WeakPolarHBondContact O-CG 3.23Å; S194-Q305 PolarHBondContact O-NE2 2.83Å; D195-Q305 WeakPolarHBondContact OD1-CA 3.42Å; H211-Q305 PolarHBondContact CD2-OE1 2.95Å; S303-Q305 VanDerWaalsContact C-N 3.33Å; S303-Q305 PolarHBondContact OG-O 2.89Å; S303-Q305 VanDerWaalsContact OG-O 3.06Å
306	R	89.7	Confident	83.6	Confident	106 Å²	106	74 Å²	74	40%	0.4	38%	0.381	S	S	.	.			trans	-119.6	141.7	177.9	-65.6	161.6	178.1	-130.3	2.8	110.3	D195 K196 Q289 Y290	D195-R306 CarbonylContact C-O 3.59Å; D195-R306 VanDerWaalsContact CA-O 3.26Å; D195-R306 WeakPolarHBondContact CA-O 3.22Å; D195-R306 WeakPolarHBondContact CB-O 3.2Å; D195-R306 PolarHBondContact OD1-N 2.9Å; K196-R306 PolarHBondContact N-O 3.12Å; Q289-R306 HydrophobicContact CG-CB 3.88Å; Q289-R306 HydrophobicContact CG-CG 4.14Å; Y290-R306 CarbonylContact O-C 3.34Å; Y290-R306 WeakPolarHBondContact O-CA 3.48Å
307	T	92	Very high	83.3	Confident	6 Å²	6	82.3 Å²	82.3	4%	0.037	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.4	169.2	-62.6	0	0	0	0	109.3	K196 L198 V208 Y290	K196-T307 CarbonylContact O-C 3.56Å; K196-T307 VanDerWaalsContact O-CA 3.31Å; K196-T307 WeakPolarHBondContact O-CA 3.09Å; L198-T307 HydrophobicContact CD1-CG2 3.7Å; L198-T307 HydrophobicContact CG-CG2 4.2Å; V208-T307 HydrophobicContact CG1-CG2 4.24Å; V208-T307 HydrophobicContact CG2-CG2 4.26Å; Y290-T307 PolarHBondContact N-O 3.38Å; Y290-T307 PolarHBondContact O-N 2.99Å
308	H	92.2	Very high	83.2	Confident	44 Å²	44	81 Å²	81	20%	0.204	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.5	175	-66.4	-94.6	0	0	0	109.2	K196 Y197 L198	K196-H308 PolarHBondContact O-N 2.87Å; Y197-H308 HydrophobicContact CD1-CB 3.57Å; Y197-H308 HydrophobicContact CE1-CB 3.68Å; Y197-H308 AromaticContact CE1-CD2 3.81Å; Y197-H308 AromaticContact CE1-CG 3.65Å; Y197-H308 HydrophobicContact CG-CB 4.34Å; Y197-H308 AromaticContact CZ-CD2 3.85Å; L198-H308 PolarHBondContact N-O 2.99Å
309	L	92.5	Very high	83	Confident	1 Å²	1	85.4 Å²	85.4	1%	0.005	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.6	177.3	178	60.2	0	0	0	110	L198 L200 A206 I279 L282 D286 T287 G288 Y290 V311	L198-L309 HydrophobicContact CB-CD1 3.88Å; L198-L309 CarbonylContact O-C 3.52Å; L198-L309 WeakPolarHBondContact O-CA 3.35Å; L200-L309 HydrophobicContact CB-CD1 4.39Å; L200-L309 HydrophobicContact CD1-CD1 3.91Å; L200-L309 HydrophobicContact CG-CD1 4.29Å; A206-L309 HydrophobicContact CB-CD1 4.44Å; A206-L309 HydrophobicContact CB-CD2 4.12Å; I279-L309 HydrophobicContact CD1-CD2 4.46Å; L282-L309 HydrophobicContact CD2-CD2 3.97Å; D286-L309 HydrophobicContact CB-CD2 4.44Å; T287-L309 CarbonylContact C-O 3.5Å; T287-L309 WeakPolarHBondContact CA-O 3.25Å; G288-L309 PolarHBondContact N-O 2.9Å; G288-L309 PolarHBondContact O-N 3.34Å; Y290-L309 HydrophobicContact CD2-CB 4.12Å; Y290-L309 HydrophobicContact CE2-CB 3.85Å; Y290-L309 HydrophobicContact CE2-CD2 3.8Å; Y290-L309 HydrophobicContact CE2-CG 4.45Å; L309-V311 HydrophobicContact CD2-CG2 4.35Å; L309-V311 HydrophobicContact CG-CG2 4.16Å
310	V	91.9	Very high	82.6	Confident	73 Å²	73	80.9 Å²	80.9	44%	0.442	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.2	173.2	-177.2	0	0	0	0	108.2	L198 S199 L200 T312	L198-V310 PolarHBondContact O-N 2.72Å; S199-V310 WeakPolarHBondContact CA-O 3.27Å; L200-V310 PolarHBondContact N-O 2.97Å; V310-T312 HydrophobicContact CG1-CG2 4.16Å
311	V	91.2	Very high	82	Confident	6 Å²	6	81.5 Å²	81.5	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.1	178.8	-176.3	0	0	0	0	109.4	L200 I202 L282 Q283 L284 D286 T287 L309	L200-V311 WeakPolarHBondContact O-CA 3.4Å; I202-V311 HydrophobicContact CB-CG1 4Å; I202-V311 HydrophobicContact CG1-CG1 4.13Å; L282-V311 HydrophobicContact CB-CG1 4.15Å; L282-V311 HydrophobicContact CB-CG2 4.46Å; L282-V311 HydrophobicContact CD2-CG2 3.96Å; Q283-V311 WeakPolarHBondContact O-CG2 3.11Å; L284-V311 WeakPolarHBondContact CD2-O 3.36Å; D286-V311 HydrophobicContact CB-CG2 4.33Å; T287-V311 PolarHBondContact OG1-N 2.91Å; T287-V311 VanDerWaalsContact OG1-N 3.14Å; L309-V311 HydrophobicContact CD2-CG2 4.35Å; L309-V311 HydrophobicContact CG-CG2 4.16Å
312	T	88.7	Confident	81.1	Confident	48 Å²	48	81.8 Å²	81.8	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	156.4	-175.6	60.3	0	0	0	0	111.9	L200 I202 V310	L200-T312 PolarHBondContact O-N 3.42Å; L200-T312 PolarHBondContact O-OG1 2.77Å; I202-T312 WeakPolarHBondContact CB-O 3.47Å; I202-T312 PolarHBondContact N-O 3.39Å; V310-T312 HydrophobicContact CG1-CG2 4.16Å
313	K	83.2	Confident	80.3	Confident	134 Å²	134	81.6 Å²	81.6	58%	0.583	39%	0.39	S	S	*	.			trans	-100.5	126.2	169.5	-79.3	179.8	169.5	175.7	0	108.8	I202 L284	I202-K313 HydrophobicContact CD1-CG 4.23Å; I202-K313 HydrophobicContact CG2-CG 4.09Å; L284-K313 HydrophobicContact CD1-CD 4.46Å
314	P	80.3	Confident	79.1	Confident	46 Å²	46	81.2 Å²	81.2	30%	0.299	39%	0.387	S	S	.	.			trans	-73	135.6	175.2	28.5	-31.4	0	0	0	110.7	L201 I318 A374	L201-P314 HydrophobicContact CD2-CB 3.92Å; L201-P314 HydrophobicContact CD2-CG 4.24Å; P314-I318 HydrophobicContact CB-CD1 3.9Å; P314-A374 HydrophobicContact CB-CB 4.04Å; P314-A374 HydrophobicContact CG-CB 3.72Å
315	N	74.2	Confident	78.3	Confident	162 Å²	162	74.1 Å²	74.1	87%	0.866	35%	0.349	S	S	*	.	S	Bend	trans	-83.8	-22.9	173.2	-67.5	-16.9	0	0	0	112.3
316	E	74.8	Confident	77.2	Confident	164 Å²	164	73.6 Å²	73.6	77%	0.766	35%	0.347	S	S	*	.	S	Bend	trans	-134.6	173.5	-178.2	-63	-168.9	166.6	0	0	111.3
317	K	70.2	Confident	76	Confident	182 Å²	182	71.7 Å²	71.7	79%	0.791	35%	0.345	S	S	*	.			trans	-75	130	175.8	-67.2	180	-177.4	175.5	0	110.2	A374	K317-A374 WeakPolarHBondContact CA-O 3.37Å
318	I	68.8	Low	74.9	Confident	67 Å²	67	71.8 Å²	71.8	34%	0.344	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136	-176.7	-64.5	172.4	0	0	0	109.1	L201 P314 A374	L201-I318 HydrophobicContact CD1-CB 4.21Å; L201-I318 HydrophobicContact CD1-CD1 3.71Å; L201-I318 HydrophobicContact CD1-CG2 4.26Å; L201-I318 HydrophobicContact CD2-CD1 3.92Å; L201-I318 HydrophobicContact CG-CD1 4.44Å; P314-I318 HydrophobicContact CB-CD1 3.9Å; I318-A374 HydrophobicContact CB-CB 4.22Å; I318-A374 PolarHBondContact N-O 3.26Å; I318-A374 VanDerWaalsContact N-O 3.17Å; I318-A374 PolarHBondContact O-N 2.92Å
319	W	62.9	Low	73.7	Confident	221 Å²	221	74.1 Å²	74.1	84%	0.837	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	149.3	-178.9	-74.9	59	0	0	0	111.2	H321	W319-H321 PolarHBondContact O-CD2 3.2Å; W319-H321 PolarHBondContact O-N 3.25Å; W319-H321 VanDerWaalsContact O-N 3.16Å
320	T	65.8	Low	72.5	Confident	23 Å²	23	76.9 Å²	76.9	14%	0.141	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	107	-175.5	51.7	0	0	0	0	111.4	E372 V377 I425	T320-E372 CarbonylContact C-O 3.47Å; T320-E372 WeakPolarHBondContact CA-O 3.33Å; T320-V377 HydrophobicContact CG2-CG1 4.23Å; T320-I425 VanDerWaalsContact OG1-CD1 3.25Å; T320-I425 WeakPolarHBondContact OG1-CD1 3.48Å
321	H	69.4	Low	71.5	Confident	118 Å²	118	73.4 Å²	73.4	55%	0.546	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.6	174.1	-69.8	-87.7	0	0	0	110.4	W319 F371 E372	W319-H321 PolarHBondContact O-CD2 3.2Å; W319-H321 PolarHBondContact O-N 3.25Å; W319-H321 VanDerWaalsContact O-N 3.16Å; H321-F371 CarbonylContact O-C 3.23Å; H321-F371 WeakPolarHBondContact O-CA 3.27Å; H321-E372 PolarHBondContact N-O 3.16Å; H321-E372 PolarHBondContact O-N 3.36Å
322	L	68.6	Low	70.2	Confident	57 Å²	57	75.8 Å²	75.8	30%	0.298	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.8	174.8	168	57.5	0	0	0	110.7	F324 C369 F371 I425 K427	L322-F324 HydrophobicContact CD1-CB 4.32Å; L322-C369 WeakPolarHBondContact CD1-SG 3.45Å; L322-F371 HydrophobicContact CB-CD1 3.92Å; L322-F371 HydrophobicContact CB-CE1 3.78Å; L322-F371 HydrophobicContact CD1-CD1 4.05Å; L322-F371 HydrophobicContact CD1-CE1 3.59Å; L322-F371 HydrophobicContact CD1-CE2 4.49Å; L322-F371 HydrophobicContact CD1-CZ 3.84Å; L322-F371 HydrophobicContact CD2-CE1 4.31Å; L322-F371 HydrophobicContact CG-CE1 4.07Å; L322-I425 HydrophobicContact CB-CG2 4.12Å; L322-I425 HydrophobicContact CD2-CG2 4.41Å; L322-K427 HydrophobicContact CD2-CB 3.98Å
323	K	71.4	Confident	69.1	Low	66 Å²	66	77.3 Å²	77.3	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.3	164.9	-169.5	173.2	-176.6	-175.8	0	110.6	D328 I370	K323-D328 WeakPolarHBondContact CE-OD2 3.44Å; K323-D328 IonicContact NZ-OD2 2.67Å; K323-D328 PolarHBondContact NZ-OD2 2.82Å; K323-I370 PolarHBondContact N-O 3.12Å; K323-I370 PolarHBondContact O-N 2.79Å; K323-I370 VanDerWaalsContact O-O 3.1Å
324	F	64.5	Low	68.1	Low	6 Å²	6	71.6 Å²	71.6	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.6	-175.4	-170.2	-103.8	0	0	0	112.4	L322 L326 D327 D328 F368 C369 W381 K427 F429	L322-F324 HydrophobicContact CD1-CB 4.32Å; F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 HydrophobicContact CD1-CB 4.09Å; F324-L326 HydrophobicContact CE1-CB 3.93Å; F324-L326 HydrophobicContact CE1-CD1 3.59Å; F324-L326 HydrophobicContact CE1-CG 4.4Å; F324-L326 HydrophobicContact CZ-CD1 4.19Å; F324-L326 PolarHBondContact O-N 2.81Å; F324-D327 WeakPolarHBondContact CD1-OD2 3.47Å; F324-D327 PolarHBondContact O-N 3.06Å; F324-D328 PolarHBondContact O-N 3.02Å; F324-F368 WeakPolarHBondContact CD2-O 3.38Å; F324-C369 HydrophobicContact CD2-CB 3.7Å; F324-C369 HydrophobicContact CE2-CB 3.9Å; F324-W381 AromaticContact CE2-CH2 3.93Å; F324-W381 HydrophobicContact CE2-CH2 3.93Å; F324-W381 HydrophobicContact CZ-CH2 4.49Å; F324-K427 HydrophobicContact CD1-CD 4.33Å; F324-K427 HydrophobicContact CG-CD 4.46Å; F324-F429 HydrophobicContact CE1-CD1 4.15Å; F324-F429 HydrophobicContact CE1-CE1 4.4Å; F324-F429 HydrophobicContact CE2-CD1 4.32Å; F324-F429 AromaticContact CE2-CE1 3.88Å; F324-F429 HydrophobicContact CE2-CE1 3.88Å; F324-F429 AromaticContact CZ-CD1 3.54Å; F324-F429 HydrophobicContact CZ-CD1 3.54Å; F324-F429 AromaticContact CZ-CE1 3.38Å; F324-F429 HydrophobicContact CZ-CE1 3.38Å; F324-F429 HydrophobicContact CZ-CZ 4.24Å
325	S	67.6	Low	67.1	Low	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-38.7	-173.3	51.5	0	0	0	0	116.4	Y335 F368	S325-Y335 WeakPolarHBondContact O-CE2 3.44Å; S325-F368 VanDerWaalsContact CB-CE1 3.44Å; S325-F368 WeakPolarHBondContact CB-O 3.33Å; S325-F368 PolarHBondContact N-O 3.47Å; S325-F368 VanDerWaalsContact N-O 3.07Å; S325-F368 PolarHBondContact OG-N 3Å; S325-F368 PolarHBondContact OG-O 3.2Å
326	L	62.3	Low	66	Low	16 Å²	16	69 Å²	69	8%	0.084	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	178.6	-79	115.3	0	0	0	114.8	F324 Y335 K355 I357 L367	F324-L326 VanDerWaalsContact C-N 3.33Å; F324-L326 HydrophobicContact CD1-CB 4.09Å; F324-L326 HydrophobicContact CE1-CB 3.93Å; F324-L326 HydrophobicContact CE1-CD1 3.59Å; F324-L326 HydrophobicContact CE1-CG 4.4Å; F324-L326 HydrophobicContact CZ-CD1 4.19Å; F324-L326 PolarHBondContact O-N 2.81Å; L326-Y335 HydrophobicContact CD2-CD1 4.04Å; L326-Y335 HydrophobicContact CD2-CD2 4.2Å; L326-Y335 HydrophobicContact CD2-CG 3.7Å; L326-Y335 HydrophobicContact CG-CD1 4.09Å; L326-Y335 HydrophobicContact CG-CD2 3.9Å; L326-Y335 HydrophobicContact CG-CE1 4.39Å; L326-Y335 HydrophobicContact CG-CE2 4.21Å; L326-Y335 HydrophobicContact CG-CG 3.83Å; L326-K355 HydrophobicContact CB-CD 4.25Å; L326-K355 PolarHBondContact O-NZ 3.05Å; L326-I357 HydrophobicContact CD1-CD1 3.55Å; L326-I357 HydrophobicContact CD1-CG1 4.22Å; L326-I357 HydrophobicContact CD2-CD1 4.43Å; L326-I357 HydrophobicContact CD2-CG1 4.22Å; L326-L367 HydrophobicContact CD1-CD2 3.58Å
327	D	64.4	Low	64.7	Low	65 Å²	65	65.7 Å²	65.7	35%	0.348	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-4.5	-178.9	-49.7	-67.3	0	0	0	113.2	F324 K355 K427	F324-D327 WeakPolarHBondContact CD1-OD2 3.47Å; F324-D327 PolarHBondContact O-N 3.06Å; D327-K355 IonicContact OD1-NZ 2.93Å; D327-K355 PolarHBondContact OD1-NZ 3.24Å; D327-K427 IonicContact OD1-NZ 2.81Å; D327-K427 PolarHBondContact OD1-NZ 3.43Å; D327-K427 WeakPolarHBondContact OD2-CE 3.48Å; D327-K427 IonicContact OD2-NZ 3.81Å; D327-K427 PolarHBondContact OD2-NZ 2.85Å
328	D	68.2	Low	63.2	Low	8 Å²	8	64.2 Å²	64.2	4%	0.043	32%	0.32	C	S	.	.			trans	-67.2	120	165.1	-169	-25.1	0	0	0	108.4	K323 F324 D330 L331 S332	K323-D328 WeakPolarHBondContact CE-OD2 3.44Å; K323-D328 IonicContact NZ-OD2 2.67Å; K323-D328 PolarHBondContact NZ-OD2 2.82Å; F324-D328 PolarHBondContact O-N 3.02Å; D328-D330 PolarHBondContact O-N 3.5Å; D328-D330 PolarHBondContact OD1-N 2.82Å; D328-D330 VanDerWaalsContact OD1-N 3.14Å; D328-L331 HydrophobicContact CB-CB 4.21Å; D328-L331 HydrophobicContact CB-CD1 4.01Å; D328-L331 HydrophobicContact CB-CG 4.17Å; D328-L331 PolarHBondContact O-N 3.25Å; D328-S332 PolarHBondContact O-N 3.01Å
329	P	67	Low	61.6	Low	93 Å²	93	66.9 Å²	66.9	60%	0.604	34%	0.335	S	S	*	.	H	α-helix	trans	-56.4	-35.2	-179.2	22.8	-33.8	0	0	0	111.8	L331 S332	P329-L331 PolarHBondContact O-N 3.07Å; P329-S332 PolarHBondContact O-N 3.22Å; P329-S332 PolarHBondContact O-OG 2.54Å
330	D	68.1	Low	60.2	Low	59 Å²	59	62.9 Å²	62.9	32%	0.316	33%	0.33	S	S	.	.	H	α-helix	trans	-75.1	-6.2	-178	-59.9	-13.4	0	0	0	113.2	K196 I209 H211 D328 Y333	K196-D330 WeakPolarHBondContact CE-OD2 3.37Å; K196-D330 IonicContact NZ-OD2 2.61Å; K196-D330 PolarHBondContact NZ-OD2 3.21Å; I209-D330 HydrophobicContact CD1-CB 4.08Å; H211-D330 PolarHBondContact CE1-O 3Å; D328-D330 PolarHBondContact O-N 3.5Å; D328-D330 PolarHBondContact OD1-N 2.82Å; D328-D330 VanDerWaalsContact OD1-N 3.14Å; D330-Y333 WeakPolarHBondContact O-CE1 3.5Å
331	L	69.2	Low	58.4	Low	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-119.7	-12.7	175.1	-58.7	173.4	0	0	0	112.4	I209 A274 I276 D328 P329 Y333 L334 Y335 F368	I209-L331 HydrophobicContact CD1-CD1 4.31Å; I209-L331 HydrophobicContact CD1-CD2 3.96Å; I209-L331 HydrophobicContact CD1-CG 4.01Å; I209-L331 HydrophobicContact CG2-CD2 4.02Å; A274-L331 HydrophobicContact CB-CD2 4.5Å; I276-L331 HydrophobicContact CD1-CD1 3.57Å; I276-L331 HydrophobicContact CD1-CD2 3.91Å; I276-L331 HydrophobicContact CD1-CG 4.41Å; I276-L331 HydrophobicContact CG1-CD2 4.47Å; D328-L331 HydrophobicContact CB-CB 4.21Å; D328-L331 HydrophobicContact CB-CD1 4.01Å; D328-L331 HydrophobicContact CB-CG 4.17Å; D328-L331 PolarHBondContact O-N 3.25Å; P329-L331 PolarHBondContact O-N 3.07Å; L331-Y333 PolarHBondContact O-N 3.49Å; L331-Y333 VanDerWaalsContact O-N 3.11Å; L331-L334 HydrophobicContact CB-CD1 4.1Å; L331-L334 HydrophobicContact CD2-CD1 3.52Å; L331-L334 HydrophobicContact CG-CD1 4.42Å; L331-L334 VanDerWaalsContact O-CB 3.32Å; L331-L334 WeakPolarHBondContact O-CB 2.94Å; L331-L334 PolarHBondContact O-N 3.43Å; L331-Y335 HydrophobicContact CB-CE2 4.29Å; L331-Y335 WeakPolarHBondContact O-CD2 3.42Å; L331-F368 HydrophobicContact CD1-CE1 3.73Å; L331-F368 HydrophobicContact CD1-CZ 3.49Å; L331-F368 VanDerWaalsContact CD1-CZ 3.49Å
332	S	65.2	Low	56.4	Low	57 Å²	57	65.4 Å²	65.4	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-52.8	-35.6	-178	67.3	0	0	0	0	113.3	D328 P329 L334	D328-S332 PolarHBondContact O-N 3.01Å; P329-S332 PolarHBondContact O-N 3.22Å; P329-S332 PolarHBondContact O-OG 2.54Å; S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 PolarHBondContact O-N 2.84Å
333	Y	66.1	Low	54.4	Low	79 Å²	79	69.2 Å²	69.2	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-21.4	179	75.1	-101	0	0	0	114.1	H211 P272 D330 L331	H211-Y333 AromaticContact ND1-CE1 3.88Å; H211-Y333 AromaticContact ND1-CZ 3.81Å; H211-Y333 PolarHBondContact ND1-OH 3.33Å; P272-Y333 HydrophobicContact CB-CD2 4.39Å; P272-Y333 HydrophobicContact CB-CE2 3.8Å; P272-Y333 HydrophobicContact CG-CD2 3.61Å; P272-Y333 HydrophobicContact CG-CE2 3.51Å; D330-Y333 WeakPolarHBondContact O-CE1 3.5Å; L331-Y333 PolarHBondContact O-N 3.49Å; L331-Y333 VanDerWaalsContact O-N 3.11Å
334	L	60.3	Low	52.3	Low	14 Å²	14	73.6 Å²	73.6	7%	0.073	41%	0.408	C	S	.	.	H	α-helix	trans	-75	-30.7	-178.5	-62.7	165.4	0	0	0	112.2	I244 P272 A274 L331 S332	I244-L334 HydrophobicContact CB-CD1 4.14Å; I244-L334 HydrophobicContact CG2-CB 4.17Å; I244-L334 HydrophobicContact CG2-CD1 3.82Å; I244-L334 HydrophobicContact CG2-CG 4.5Å; P272-L334 WeakPolarHBondContact O-CD2 3.05Å; A274-L334 HydrophobicContact CB-CD1 3.8Å; A274-L334 HydrophobicContact CB-CD2 4.27Å; L331-L334 HydrophobicContact CB-CD1 4.1Å; L331-L334 HydrophobicContact CD2-CD1 3.52Å; L331-L334 HydrophobicContact CG-CD1 4.42Å; L331-L334 VanDerWaalsContact O-CB 3.32Å; L331-L334 WeakPolarHBondContact O-CB 2.94Å; L331-L334 PolarHBondContact O-N 3.43Å; S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 PolarHBondContact O-N 2.84Å
335	Y	59.3	Low	50.7	Low	52 Å²	52	79.4 Å²	79.4	20%	0.204	44%	0.439	C	S	.	.	H	α-helix	trans	-99.1	-8.9	-174	-59.1	-77.9	0	0	0	113.7	I244 S325 L326 L331 L367	I244-Y335 HydrophobicContact CG2-CE1 4.26Å; S325-Y335 WeakPolarHBondContact O-CE2 3.44Å; L326-Y335 HydrophobicContact CD2-CD1 4.04Å; L326-Y335 HydrophobicContact CD2-CD2 4.2Å; L326-Y335 HydrophobicContact CD2-CG 3.7Å; L326-Y335 HydrophobicContact CG-CD1 4.09Å; L326-Y335 HydrophobicContact CG-CD2 3.9Å; L326-Y335 HydrophobicContact CG-CE1 4.39Å; L326-Y335 HydrophobicContact CG-CE2 4.21Å; L326-Y335 HydrophobicContact CG-CG 3.83Å; L331-Y335 HydrophobicContact CB-CE2 4.29Å; L331-Y335 WeakPolarHBondContact O-CD2 3.42Å; Y335-L367 HydrophobicContact CE1-CD2 3.99Å
336	N	52.6	Low	48.9	Very low	102 Å²	102	86.7 Å²	86.7	55%	0.545	48%	0.478	S	S	.	.			trans	-97.2	98.4	-170.8	-147.4	18	0	0	0	110.8	N338	N336-N338 PolarHBondContact O-N 2.61Å
337	N	46.9	Very low	47.2	Very low	95 Å²	95	92.9 Å²	92.9	51%	0.508	51%	0.511	S	S	.	.			trans	-65.5	131.2	166.7	-91	5.4	0	0	0	109.4	N339	N337-N339 PolarHBondContact O-N 2.97Å
338	N	38.6	Very low	45.6	Very low	150 Å²	150	98.9 Å²	98.9	80%	0.802	54%	0.537	S	S	*	.	S	Bend	trans	-74.2	57.9	179.6	-78.4	-27.9	0	0	0	113.2	N336	N336-N338 PolarHBondContact O-N 2.61Å
339	N	36.4	Very low	43.7	Very low	124 Å²	124	105.9 Å²	105.9	66%	0.663	58%	0.575	S	S	*	*			trans	-98.7	-3.5	173.2	-76	34	0	0	0	112.9	N337 N341	N337-N339 PolarHBondContact O-N 2.97Å; N339-N341 PolarHBondContact O-N 2.88Å
340	N	32.6	Very low	42	Very low	137 Å²	137	106.3 Å²	106.3	73%	0.733	58%	0.58	S	S	*	*			trans	-80.8	46.4	179.5	-71.2	2.7	0	0	0	113.1	G342	N340-G342 VanDerWaalsContact C-N 3.28Å; N340-G342 PolarHBondContact O-N 2.76Å; N340-G342 VanDerWaalsContact O-N 3.15Å
341	N	28.1	Very low	40.4	Very low	135 Å²	135	111.9 Å²	111.9	72%	0.722	61%	0.609	S	S	*	*			trans	-80.3	81.3	159.1	-89.2	11.5	0	0	0	108.2	N339 N571	N339-N341 PolarHBondContact O-N 2.88Å; N341-N571 PolarHBondContact ND2-ND2 2.93Å; N341-N571 VanDerWaalsContact ND2-ND2 3.2Å
342	G	27.2	Very low	39.1	Very low	59 Å²	59	119.7 Å²	119.7	61%	0.608	65%	0.65	S	S	*	*	S	Bend	trans	171.9	113.5	178	0	0	0	0	0	113.9	N340	N340-G342 VanDerWaalsContact C-N 3.28Å; N340-G342 PolarHBondContact O-N 2.76Å; N340-G342 VanDerWaalsContact O-N 3.15Å
343	N	27.4	Very low	38.4	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	67%	0.672	S	S	*	*			trans	56.8	95	165.7	-60.4	0.6	0	0	0	117.9	N345	N343-N345 PolarHBondContact O-N 2.77Å
344	N	27.2	Very low	38.3	Very low	157 Å²	157	128 Å²	128	84%	0.84	68%	0.678	S	S	*	*			trans	-62.9	86.6	141.2	-76.4	-10.9	0	0	0	109.1
345	N	29.4	Very low	38.7	Very low	128 Å²	128	131.4 Å²	131.4	68%	0.684	69%	0.692	S	S	*	*			trans	-113.2	116.5	162.7	-83.8	20.4	0	0	0	108.8	N343 N347	N343-N345 PolarHBondContact O-N 2.77Å; N345-N347 PolarHBondContact O-N 3.06Å
346	N	30	Very low	39.4	Very low	154 Å²	154	134 Å²	134	82%	0.824	71%	0.706	S	S	*	*			trans	-60.8	130.8	177.2	-58.6	-33.8	0	0	0	110.2
347	N	28.1	Very low	40.5	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	68%	0.683	S	S	*	*			trans	-163.4	102.1	161.4	-102	-53.7	0	0	0	110.2	N345 N349	N345-N347 PolarHBondContact O-N 3.06Å; N347-N349 PolarHBondContact O-N 2.94Å
348	E	29.5	Very low	41.8	Very low	192 Å²	192	131.5 Å²	131.5	90%	0.897	69%	0.686	S	S	*	*			trans	-74.3	82	177.2	-62.7	179.1	124.8	0	0	110.7
349	N	28.4	Very low	43.4	Very low	155 Å²	155	125 Å²	125	83%	0.829	65%	0.651	S	S	*	*			trans	-156.3	35.5	176.6	-104.1	-52.3	0	0	0	113.6	N347	N347-N349 PolarHBondContact O-N 2.94Å
350	S	31	Very low	44.8	Very low	102 Å²	102	121 Å²	121	71%	0.713	63%	0.63	S	S	*	*			trans	-94.5	7.2	-169.2	57.3	0	0	0	0	116.2	N352	S350-N352 PolarHBondContact O-N 2.91Å; S350-N352 VanDerWaalsContact O-N 3.11Å
351	L	35.8	Very low	46.3	Very low	176 Å²	176	116.9 Å²	116.9	92%	0.921	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-18.9	-170.9	-150.6	78.7	0	0	0	115.1
352	N	40.9	Very low	48.1	Very low	163 Å²	163	114.5 Å²	114.5	87%	0.872	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	9.9	-170.1	-103	-12.2	0	0	0	115.3	S350	S350-N352 PolarHBondContact O-N 2.91Å; S350-N352 VanDerWaalsContact O-N 3.11Å
353	R	50.1	Low	49.7	Very low	229 Å²	229	112.5 Å²	112.5	86%	0.864	57%	0.569	S	S	*	*			trans	-92.6	111.7	-179.3	-152.8	173.7	-169.1	177.7	3.1	111	K355	R353-K355 PolarHBondContact O-N 2.88Å
354	I	64.3	Low	51.8	Low	82 Å²	82	107.3 Å²	107.3	42%	0.421	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-53.5	123.1	174.9	-62.5	178.4	0	0	0	109.1	I412 R430	I354-I412 HydrophobicContact CD1-CD1 4.34Å; I354-R430 HydrophobicContact CG2-CB 4.17Å
355	K	68.2	Low	54.1	Low	85 Å²	85	100.6 Å²	100.6	37%	0.37	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.2	177.6	-111.8	176.8	179.5	170.9	0	109.2	L326 D327 R353 F429 R430	L326-K355 HydrophobicContact CB-CD 4.25Å; L326-K355 PolarHBondContact O-NZ 3.05Å; D327-K355 IonicContact OD1-NZ 2.93Å; D327-K355 PolarHBondContact OD1-NZ 3.24Å; R353-K355 PolarHBondContact O-N 2.88Å; K355-F429 HydrophobicContact CB-CB 4.43Å; K355-F429 CarbonylContact O-C 3.56Å; K355-F429 VanDerWaalsContact O-CA 3.25Å; K355-F429 WeakPolarHBondContact O-CA 3.18Å; K355-F429 VanDerWaalsContact O-CB 3.28Å; K355-F429 WeakPolarHBondContact O-CB 3.5Å; K355-R430 PolarHBondContact O-N 3.18Å
356	E	75.1	Confident	56.4	Low	108 Å²	108	95.5 Å²	95.5	51%	0.505	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.1	172.4	-58.6	-160	141	0	0	110.7	R430 I432	E356-R430 CarbonylContact C-O 3.57Å; E356-R430 WeakPolarHBondContact CA-O 3.32Å; E356-R430 HydrophobicContact CG-CB 4.33Å; E356-I432 HydrophobicContact CB-CD1 4.45Å
357	I	76.1	Confident	58.9	Low	13 Å²	13	88.2 Å²	88.2	7%	0.067	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	175	-48.2	174	0	0	0	107.1	L326 I359 L365 L367 F429 R430 I431 I432	L326-I357 HydrophobicContact CD1-CD1 3.55Å; L326-I357 HydrophobicContact CD1-CG1 4.22Å; L326-I357 HydrophobicContact CD2-CD1 4.43Å; L326-I357 HydrophobicContact CD2-CG1 4.22Å; I357-I359 HydrophobicContact CG2-CG2 4.05Å; I357-L365 HydrophobicContact CG2-CD1 4.5Å; I357-L365 HydrophobicContact CG2-CD2 4.43Å; I357-L367 HydrophobicContact CD1-CD1 3.69Å; I357-L367 HydrophobicContact CD1-CD2 4.2Å; I357-F429 HydrophobicContact CD1-CB 4.32Å; I357-F429 HydrophobicContact CD1-CD2 3.43Å; I357-F429 VanDerWaalsContact CD1-CD2 3.43Å; I357-F429 HydrophobicContact CD1-CE2 3.96Å; I357-F429 HydrophobicContact CD1-CG 4Å; I357-F429 HydrophobicContact CG1-CD2 4.33Å; I357-R430 PolarHBondContact N-O 2.97Å; I357-I431 HydrophobicContact CD1-CG1 4.45Å; I357-I431 WeakPolarHBondContact O-CA 3.38Å; I357-I432 PolarHBondContact O-N 3.06Å
358	K	73	Confident	61.5	Low	131 Å²	131	81.3 Å²	81.3	57%	0.57	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.9	177.4	-70.7	175.9	-177.4	177.9	0	108.9	I432 I434	K358-I432 HydrophobicContact CG-CB 4.18Å; K358-I432 HydrophobicContact CG-CD1 4.49Å; K358-I434 HydrophobicContact CB-CD1 3.98Å; K358-I434 HydrophobicContact CD-CD1 4.44Å; K358-I434 HydrophobicContact CG-CD1 4.46Å
359	I	72.3	Confident	64.1	Low	14 Å²	14	72.1 Å²	72.1	7%	0.072	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.7	178.5	64	-178.6	0	0	0	109.5	I357 L365 A405 I431 I432 V433 I434	I357-I359 HydrophobicContact CG2-CG2 4.05Å; I359-L365 HydrophobicContact CD1-CB 4.16Å; I359-L365 HydrophobicContact CD1-CD2 4.13Å; I359-L365 HydrophobicContact CG2-CB 4.37Å; I359-L365 HydrophobicContact CG2-CD1 4.14Å; I359-L365 HydrophobicContact CG2-CD2 4.1Å; I359-L365 HydrophobicContact CG2-CG 4.43Å; I359-A405 HydrophobicContact CD1-CB 3.46Å; I359-A405 VanDerWaalsContact CD1-CB 3.46Å; I359-A405 HydrophobicContact CG1-CB 4.2Å; I359-I431 HydrophobicContact CD1-CG2 3.66Å; I359-I431 HydrophobicContact CG1-CG2 4.11Å; I359-I432 PolarHBondContact N-O 2.66Å; I359-V433 HydrophobicContact CD1-CG2 4.15Å; I359-V433 HydrophobicContact CG1-CG2 4Å; I359-V433 CarbonylContact O-C 3.44Å; I359-V433 WeakPolarHBondContact O-CA 3.47Å; I359-I434 PolarHBondContact O-N 2.65Å
360	N	66	Low	66.7	Low	40 Å²	40	65.2 Å²	65.2	21%	0.214	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	151.2	176.6	-66	-1.6	0	0	0	110.8	Q264 T363 I434	Q264-N360 PolarHBondContact OE1-ND2 3.08Å; N360-T363 HydrophobicContact CB-CG2 3.77Å; N360-T363 PolarHBondContact N-OG1 3.32Å; N360-T363 WeakPolarHBondContact O-CB 3.43Å; N360-T363 PolarHBondContact O-N 3.13Å; N360-T363 VanDerWaalsContact O-N 3.14Å; N360-T363 PolarHBondContact O-OG1 2.99Å; N360-I434 CarbonylContact C-O 3.48Å; N360-I434 WeakPolarHBondContact CA-O 3.16Å
361	E	65.1	Low	69	Low	49 Å²	49	60.8 Å²	60.8	23%	0.229	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	138.6	174.1	-166.3	174.1	-154.7	0	0	111	T363 A405 P407 V433 I434 R435	E361-T363 VanDerWaalsContact C-N 3.25Å; E361-T363 PolarHBondContact O-N 2.62Å; E361-A405 CarbonylContact C-O 3.52Å; E361-A405 WeakPolarHBondContact CA-O 3.23Å; E361-P407 WeakPolarHBondContact OE1-CD 3.35Å; E361-P407 VanDerWaalsContact OE1-CG 3.28Å; E361-P407 WeakPolarHBondContact OE1-CG 3.23Å; E361-V433 HydrophobicContact CB-CG1 4.08Å; E361-V433 HydrophobicContact CG-CG1 4.49Å; E361-I434 PolarHBondContact N-O 2.92Å; E361-R435 HydrophobicContact CB-CG 4.34Å; E361-R435 WeakPolarHBondContact OE2-CB 3.08Å; E361-R435 VanDerWaalsContact OE2-CG 3.23Å; E361-R435 WeakPolarHBondContact OE2-CG 3.35Å
362	N	64.5	Low	71.2	Confident	85 Å²	85	54.8 Å²	54.8	46%	0.455	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	3.6	-172.3	-53.4	-72.6	0	0	0	117	Y404 A405	N362-Y404 WeakPolarHBondContact O-CD1 3.32Å; N362-A405 PolarHBondContact N-O 2.77Å
363	T	61.6	Low	73	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.104	22%	0.218	C	C	.	.			trans	-76.2	163	170	62.6	0	0	0	0	112.3	D248 N360 E361 Y404 A405	D248-T363 HydrophobicContact CB-CG2 3.7Å; D248-T363 WeakPolarHBondContact O-CB 3.19Å; N360-T363 HydrophobicContact CB-CG2 3.77Å; N360-T363 PolarHBondContact N-OG1 3.32Å; N360-T363 WeakPolarHBondContact O-CB 3.43Å; N360-T363 PolarHBondContact O-N 3.13Å; N360-T363 VanDerWaalsContact O-N 3.14Å; N360-T363 PolarHBondContact O-OG1 2.99Å; E361-T363 VanDerWaalsContact C-N 3.25Å; E361-T363 PolarHBondContact O-N 2.62Å; T363-Y404 WeakPolarHBondContact O-CA 3.44Å; T363-Y404 PolarHBondContact O-N 2.86Å; T363-A405 WeakPolarHBondContact O-CB 3.14Å; T363-A405 PolarHBondContact O-N 2.83Å
364	N	70.7	Confident	74.4	Confident	29 Å²	29	36.8 Å²	36.8	16%	0.155	18%	0.181	C	C	.	.			trans	-102.8	125	174.8	-68	-37.1	0	0	0	110.2	D248 S249 I402 K403 Y404	D248-N364 PolarHBondContact O-N 3.32Å; S249-N364 WeakPolarHBondContact O-CB 3.33Å; S249-N364 PolarHBondContact O-ND2 2.97Å; N364-I402 WeakPolarHBondContact CA-O 3.25Å; N364-K403 VanDerWaalsContact OD1-CA 3.3Å; N364-K403 WeakPolarHBondContact OD1-CA 3.46Å; N364-Y404 PolarHBondContact OD1-N 2.89Å
365	L	76	Confident	75	Confident	15 Å²	15	37.2 Å²	37.2	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.2	174.3	178.9	66.2	0	0	0	110	I357 I359 L367 I401 I402 I431	I357-L365 HydrophobicContact CG2-CD1 4.5Å; I357-L365 HydrophobicContact CG2-CD2 4.43Å; I359-L365 HydrophobicContact CD1-CB 4.16Å; I359-L365 HydrophobicContact CD1-CD2 4.13Å; I359-L365 HydrophobicContact CG2-CB 4.37Å; I359-L365 HydrophobicContact CG2-CD1 4.14Å; I359-L365 HydrophobicContact CG2-CD2 4.1Å; I359-L365 HydrophobicContact CG2-CG 4.43Å; L365-L367 HydrophobicContact CD1-CD2 4.12Å; L365-L367 HydrophobicContact CD1-CG 4.25Å; L365-L367 HydrophobicContact CD2-CD1 4.02Å; L365-L367 HydrophobicContact CD2-CG 4.21Å; L365-L367 HydrophobicContact CG-CD1 4.45Å; L365-L367 HydrophobicContact CG-CG 4.1Å; L365-I401 CarbonylContact O-C 3.53Å; L365-I401 WeakPolarHBondContact O-CA 3.47Å; L365-I402 PolarHBondContact N-O 3.34Å; L365-I402 PolarHBondContact O-N 3.11Å; L365-I431 HydrophobicContact CD2-CD1 3.48Å; L365-I431 VanDerWaalsContact CD2-CD1 3.48Å; L365-I431 HydrophobicContact CD2-CG1 4.14Å
366	T	78.8	Confident	75.4	Confident	21 Å²	21	36.4 Å²	36.4	13%	0.129	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.5	166.5	-56.4	0	0	0	0	110.7	I242 V399 L400 I401	I242-T366 HydrophobicContact CB-CG2 4.42Å; I242-T366 HydrophobicContact CD1-CG2 4.01Å; I242-T366 HydrophobicContact CG1-CG2 4.19Å; I242-T366 HydrophobicContact CG2-CG2 3.4Å; T366-V399 HydrophobicContact CG2-CG1 3.57Å; T366-L400 WeakPolarHBondContact CA-O 3.48Å; T366-I401 HydrophobicContact CG2-CG1 3.87Å
367	L	81.6	Confident	75.5	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.4	174.3	-62.3	176.2	0	0	0	109.7	L326 Y335 I357 L365 W381 V399 L400 F429	L326-L367 HydrophobicContact CD1-CD2 3.58Å; Y335-L367 HydrophobicContact CE1-CD2 3.99Å; I357-L367 HydrophobicContact CD1-CD1 3.69Å; I357-L367 HydrophobicContact CD1-CD2 4.2Å; L365-L367 HydrophobicContact CD1-CD2 4.12Å; L365-L367 HydrophobicContact CD1-CG 4.25Å; L365-L367 HydrophobicContact CD2-CD1 4.02Å; L365-L367 HydrophobicContact CD2-CG 4.21Å; L365-L367 HydrophobicContact CG-CD1 4.45Å; L365-L367 HydrophobicContact CG-CG 4.1Å; L367-W381 HydrophobicContact CB-CH2 4.44Å; L367-V399 WeakPolarHBondContact O-CA 3.48Å; L367-L400 PolarHBondContact N-O 3.13Å; L367-L400 PolarHBondContact O-N 3.48Å; L367-F429 HydrophobicContact CD1-CD2 4.03Å; L367-F429 HydrophobicContact CD1-CE1 4.23Å; L367-F429 HydrophobicContact CD1-CE2 3.19Å; L367-F429 HydrophobicContact CD1-CZ 3.31Å
368	F	82	Confident	75.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.5	173	67.3	-94.4	0	0	0	111.7	V207 I242 I244 I276 F324 S325 L331 I370 G398 V399	V207-F368 HydrophobicContact CG1-CE2 4.43Å; V207-F368 HydrophobicContact CG1-CZ 4.23Å; V207-F368 HydrophobicContact CG2-CE2 4.47Å; I242-F368 HydrophobicContact CD1-CD1 4.43Å; I244-F368 HydrophobicContact CD1-CE1 4.38Å; I276-F368 HydrophobicContact CD1-CD1 4.29Å; I276-F368 HydrophobicContact CD1-CE1 3.4Å; I276-F368 HydrophobicContact CD1-CZ 3.95Å; F324-F368 WeakPolarHBondContact CD2-O 3.38Å; S325-F368 VanDerWaalsContact CB-CE1 3.44Å; S325-F368 WeakPolarHBondContact CB-O 3.33Å; S325-F368 PolarHBondContact N-O 3.47Å; S325-F368 VanDerWaalsContact N-O 3.07Å; S325-F368 PolarHBondContact OG-N 3Å; S325-F368 PolarHBondContact OG-O 3.2Å; L331-F368 HydrophobicContact CD1-CE1 3.73Å; L331-F368 HydrophobicContact CD1-CZ 3.49Å; L331-F368 VanDerWaalsContact CD1-CZ 3.49Å; F368-I370 HydrophobicContact CD2-CD1 3.64Å; F368-I370 HydrophobicContact CD2-CG1 4.04Å; F368-I370 HydrophobicContact CE2-CD1 4.23Å; F368-I370 HydrophobicContact CG-CD1 4.36Å; F368-G398 WeakPolarHBondContact CA-O 3.49Å; F368-V399 HydrophobicContact CB-CG2 4.34Å
369	C	85	Confident	75.7	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	105.6	179.9	-176.7	0	0	0	0	107.9	L322 F324 T379 W381 G398 C415	L322-C369 WeakPolarHBondContact CD1-SG 3.45Å; F324-C369 HydrophobicContact CD2-CB 3.7Å; F324-C369 HydrophobicContact CE2-CB 3.9Å; C369-T379 HydrophobicContact CB-CG2 4.15Å; C369-T379 VanDerWaalsContact O-CG2 3.31Å; C369-T379 WeakPolarHBondContact O-CG2 3.41Å; C369-T379 PolarHBondContact O-OG1 3.34Å; C369-W381 HydrophobicContact CB-CH2 4.18Å; C369-W381 HydrophobicContact CB-CZ2 3.67Å; C369-G398 PolarHBondContact N-O 3.22Å; C369-G398 WeakPolarHBondContact O-CA 3.35Å; C369-C415 HydrophobicContact CB-CB 3.46Å; C369-C415 VanDerWaalsContact CB-CB 3.46Å; C369-C415 WeakPolarHBondContact CB-SG 3.48Å; C369-C415 WeakPolarHBondContact SG-CB 3.28Å; C369-C415 CovalentContact SG-SG 2.03Å; C369-C415 PolarHBondContact SG-SG 3.38Å
370	I	82.3	Confident	76.2	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138	-170.1	-66.3	168.7	0	0	0	108	T205 V207 L278 K323 F368	T205-I370 HydrophobicContact CG2-CD1 4.04Å; V207-I370 HydrophobicContact CG2-CD1 3.52Å; L278-I370 HydrophobicContact CD1-CD1 4.42Å; L278-I370 HydrophobicContact CD2-CD1 3.78Å; K323-I370 PolarHBondContact N-O 3.12Å; K323-I370 PolarHBondContact O-N 2.79Å; K323-I370 VanDerWaalsContact O-O 3.1Å; F368-I370 HydrophobicContact CD2-CD1 3.64Å; F368-I370 HydrophobicContact CD2-CG1 4.04Å; F368-I370 HydrophobicContact CE2-CD1 4.23Å; F368-I370 HydrophobicContact CG-CD1 4.36Å
371	F	80.3	Confident	77.1	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.3	176.7	-59.6	-87.9	0	0	0	109.6	N204 H321 L322 V377 T379 V417 I425	N204-F371 PolarHBondContact OD1-O 3.18Å; H321-F371 CarbonylContact O-C 3.23Å; H321-F371 WeakPolarHBondContact O-CA 3.27Å; L322-F371 HydrophobicContact CB-CD1 3.92Å; L322-F371 HydrophobicContact CB-CE1 3.78Å; L322-F371 HydrophobicContact CD1-CD1 4.05Å; L322-F371 HydrophobicContact CD1-CE1 3.59Å; L322-F371 HydrophobicContact CD1-CE2 4.49Å; L322-F371 HydrophobicContact CD1-CZ 3.84Å; L322-F371 HydrophobicContact CD2-CE1 4.31Å; L322-F371 HydrophobicContact CG-CE1 4.07Å; F371-V377 HydrophobicContact CB-CG2 3.65Å; F371-V377 HydrophobicContact CD2-CG2 4.49Å; F371-V377 HydrophobicContact CG-CG2 4.2Å; F371-T379 WeakPolarHBondContact CD2-OG1 3.23Å; F371-T379 HydrophobicContact CE2-CG2 4.17Å; F371-V417 HydrophobicContact CB-CG2 4.45Å; F371-V417 HydrophobicContact CD1-CG2 3.39Å; F371-V417 HydrophobicContact CD2-CG2 3.8Å; F371-V417 HydrophobicContact CE1-CG2 3.35Å; F371-V417 HydrophobicContact CE2-CG2 3.77Å; F371-V417 HydrophobicContact CG-CG2 3.62Å; F371-V417 HydrophobicContact CZ-CG2 3.55Å; F371-I425 HydrophobicContact CE1-CG2 4.13Å
372	E	82.1	Confident	77.9	Confident	51 Å²	51	34.1 Å²	34.1	24%	0.238	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.7	167.2	177.8	158.6	-139.2	0	0	109.3	L200 L201 N204 T320 H321	L200-E372 VanDerWaalsContact CA-OE1 3.28Å; L200-E372 WeakPolarHBondContact CA-OE1 3.38Å; L200-E372 WeakPolarHBondContact CD2-OE1 3.4Å; L200-E372 WeakPolarHBondContact CD2-OE2 3.5Å; L201-E372 HydrophobicContact CB-CG 4.46Å; L201-E372 HydrophobicContact CD1-CG 4.01Å; L201-E372 HydrophobicContact CG-CG 4.27Å; L201-E372 PolarHBondContact N-OE1 2.59Å; N204-E372 WeakPolarHBondContact OD1-CA 3.48Å; T320-E372 CarbonylContact C-O 3.47Å; T320-E372 WeakPolarHBondContact CA-O 3.33Å; H321-E372 PolarHBondContact N-O 3.16Å; H321-E372 PolarHBondContact O-N 3.36Å
373	S	78.2	Confident	78.6	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	153.8	-165.5	52.2	0	0	0	0	113.5	N204 P375 V376 V377	N204-S373 PolarHBondContact ND2-O 2.85Å; N204-S373 PolarHBondContact OD1-N 3.28Å; N204-S373 PolarHBondContact OD1-O 2.81Å; N204-S373 PolarHBondContact OD1-OG 3.44Å; S373-P375 CarbonylContact C-O 3.59Å; S373-P375 VanDerWaalsContact CB-O 3.27Å; S373-P375 WeakPolarHBondContact CB-O 3.38Å; S373-P375 PolarHBondContact OG-O 2.91Å; S373-V376 WeakPolarHBondContact OG-CA 3.32Å; S373-V377 PolarHBondContact OG-N 2.82Å
374	A	80	Confident	79	Confident	13 Å²	13	39.2 Å²	39.2	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	104.2	168.2	0	0	0	0	0	109.5	L201 P314 K317 I318	L201-A374 HydrophobicContact CD1-CB 4.3Å; P314-A374 HydrophobicContact CB-CB 4.04Å; P314-A374 HydrophobicContact CG-CB 3.72Å; K317-A374 WeakPolarHBondContact CA-O 3.37Å; I318-A374 HydrophobicContact CB-CB 4.22Å; I318-A374 PolarHBondContact N-O 3.26Å; I318-A374 VanDerWaalsContact N-O 3.17Å; I318-A374 PolarHBondContact O-N 2.92Å
375	P	76.6	Confident	78.4	Confident	90 Å²	90	42.6 Å²	42.6	58%	0.584	22%	0.216	S	C	*	.	S	Bend	cis	-70.2	156.4	7.4	31.2	-37.5	0	0	0	114.1	S373	S373-P375 CarbonylContact C-O 3.59Å; S373-P375 VanDerWaalsContact CB-O 3.27Å; S373-P375 WeakPolarHBondContact CB-O 3.38Å; S373-P375 PolarHBondContact OG-O 2.91Å
376	V	76.2	Confident	78	Confident	69 Å²	69	50.5 Å²	50.5	42%	0.418	25%	0.253	S	S	.	.			trans	-64.4	136.2	177.9	-175.5	0	0	0	0	110.9	S373	S373-V376 WeakPolarHBondContact OG-CA 3.32Å
377	V	76.6	Confident	77.7	Confident	26 Å²	26	53 Å²	53	16%	0.158	26%	0.262	C	S	.	.			trans	-115.4	162.9	179.8	-53.9	0	0	0	0	112.7	T320 F371 S373 V417 N419	T320-V377 HydrophobicContact CG2-CG1 4.23Å; F371-V377 HydrophobicContact CB-CG2 3.65Å; F371-V377 HydrophobicContact CD2-CG2 4.49Å; F371-V377 HydrophobicContact CG-CG2 4.2Å; S373-V377 PolarHBondContact OG-N 2.82Å; V377-V417 HydrophobicContact CB-CG1 3.52Å; V377-V417 HydrophobicContact CG1-CG1 3.92Å; V377-V417 HydrophobicContact CG2-CB 4.47Å; V377-V417 HydrophobicContact CG2-CG1 3.55Å; V377-V417 HydrophobicContact CG2-CG2 4.03Å; V377-N419 HydrophobicContact CG1-CB 4.47Å; V377-N419 WeakPolarHBondContact CG1-ND2 3.16Å
378	S	73.5	Confident	77.3	Confident	61 Å²	61	56 Å²	56	43%	0.427	28%	0.277	S	S	.	.			trans	-105.8	141.7	174.7	59.8	0	0	0	0	112.4
379	T	81	Confident	77	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.8	175.4	-61.5	0	0	0	0	110.3	C369 F371 Q395 C415	C369-T379 HydrophobicContact CB-CG2 4.15Å; C369-T379 VanDerWaalsContact O-CG2 3.31Å; C369-T379 WeakPolarHBondContact O-CG2 3.41Å; C369-T379 PolarHBondContact O-OG1 3.34Å; F371-T379 WeakPolarHBondContact CD2-OG1 3.23Å; F371-T379 HydrophobicContact CE2-CG2 4.17Å; T379-Q395 WeakPolarHBondContact O-CB 3.17Å; T379-C415 HydrophobicContact CG2-CB 4.25Å
380	R	82.1	Confident	76.6	Confident	104 Å²	104	65.4 Å²	65.4	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.4	164.4	-65.1	-167	-177.9	-175.8	-3.1	110.8	Y382 C415 S416 D418	R380-Y382 HydrophobicContact CB-CD2 4.5Å; R380-Y382 HydrophobicContact CB-CE2 3.59Å; R380-C415 VanDerWaalsContact O-CA 3.29Å; R380-C415 WeakPolarHBondContact O-CA 3.15Å; R380-S416 PolarHBondContact N-O 2.94Å; R380-S416 PolarHBondContact O-N 2.79Å; R380-D418 HydrophobicContact CG-CB 4.34Å; R380-D418 IonicContact CZ-OD2 3.84Å; R380-D418 IonicContact NE-OD2 2.84Å; R380-D418 IonicContact NH1-OD2 2.72Å; R380-D418 PolarHBondContact NH1-OD2 3.03Å; R380-D418 IonicContact NH2-OD2 2.97Å
381	W	84.4	Confident	76.6	Confident	10 Å²	10	65.7 Å²	65.7	4%	0.038	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.9	178.2	-82.6	106.7	0	0	0	108.7	F324 L367 C369 F387 I393 G398 L400 C415 F429	F324-W381 AromaticContact CE2-CH2 3.93Å; F324-W381 HydrophobicContact CE2-CH2 3.93Å; F324-W381 HydrophobicContact CZ-CH2 4.49Å; L367-W381 HydrophobicContact CB-CH2 4.44Å; C369-W381 HydrophobicContact CB-CH2 4.18Å; C369-W381 HydrophobicContact CB-CZ2 3.67Å; W381-F387 HydrophobicContact CB-CZ 4.13Å; W381-F387 WeakPolarHBondContact O-CE2 3.37Å; W381-F387 WeakPolarHBondContact O-CZ 3.48Å; W381-I393 HydrophobicContact CB-CD1 4.31Å; W381-I393 HydrophobicContact CB-CG2 4.03Å; W381-I393 HydrophobicContact CG-CG2 4.17Å; W381-G398 PolarHBondContact NE1-O 3.16Å; W381-L400 HydrophobicContact CD2-CB 4Å; W381-L400 HydrophobicContact CD2-CD2 4.35Å; W381-L400 HydrophobicContact CE3-CB 4.44Å; W381-L400 HydrophobicContact CE3-CD2 3.99Å; W381-L400 HydrophobicContact CG-CB 4.48Å; W381-L400 HydrophobicContact CH2-CB 4.21Å; W381-L400 HydrophobicContact CH2-CD2 4.14Å; W381-L400 HydrophobicContact CZ2-CB 3.77Å; W381-L400 HydrophobicContact CZ3-CD2 3.89Å; W381-C415 HydrophobicContact CD2-CB 3.9Å; W381-C415 HydrophobicContact CE3-CB 3.74Å; W381-C415 HydrophobicContact CH2-CB 3.94Å; W381-C415 HydrophobicContact CZ2-CB 4.06Å; W381-C415 HydrophobicContact CZ3-CB 3.74Å; W381-F429 AromaticContact CH2-CE1 3.63Å; W381-F429 HydrophobicContact CH2-CE1 3.63Å; W381-F429 AromaticContact CH2-CZ 3.61Å; W381-F429 HydrophobicContact CH2-CZ 3.61Å; W381-F429 AromaticContact CZ3-CE1 3.47Å; W381-F429 HydrophobicContact CZ3-CE1 3.47Å; W381-F429 VanDerWaalsContact CZ3-CE1 3.47Å; W381-F429 AromaticContact CZ3-CZ 3.41Å; W381-F429 HydrophobicContact CZ3-CZ 3.41Å; W381-F429 VanDerWaalsContact CZ3-CZ 3.41Å
382	Y	82.1	Confident	76.7	Confident	96 Å²	96	69.3 Å²	69.3	38%	0.376	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133	-178.5	-58.1	-94	0	0	0	109.7	R380 Y413 T414 S416	R380-Y382 HydrophobicContact CB-CD2 4.5Å; R380-Y382 HydrophobicContact CB-CE2 3.59Å; Y382-Y413 WeakPolarHBondContact O-CA 3.4Å; Y382-T414 PolarHBondContact N-O 3.47Å; Y382-T414 PolarHBondContact O-N 2.69Å; Y382-S416 WeakPolarHBondContact CE2-OG 3.24Å
383	Y	80.1	Confident	76.7	Confident	28 Å²	28	69.6 Å²	69.6	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.7	166.4	-173	-128.9	0	0	0	107.3	D385 F387 E408 E410 I412 Y413	Y383-D385 CarbonylContact C-O 3.55Å; Y383-D385 WeakPolarHBondContact CD1-O 3.47Å; Y383-D385 HydrophobicContact CE1-CB 4.44Å; Y383-F387 VanDerWaalsContact CB-CE1 3.47Å; Y383-F387 HydrophobicContact CG-CE1 4.47Å; Y383-E408 PolarHBondContact OH-O 2.98Å; Y383-E410 PolarHBondContact OH-O 3.01Å; Y383-I412 WeakPolarHBondContact CD2-O 3.37Å; Y383-Y413 HydrophobicContact CD1-CE1 4.49Å; Y383-Y413 AromaticContact CD2-CD1 3.68Å; Y383-Y413 HydrophobicContact CD2-CD1 3.68Å; Y383-Y413 AromaticContact CD2-CD2 3.84Å; Y383-Y413 HydrophobicContact CD2-CD2 3.84Å; Y383-Y413 AromaticContact CD2-CE1 3.43Å; Y383-Y413 HydrophobicContact CD2-CE1 3.43Å; Y383-Y413 VanDerWaalsContact CD2-CE1 3.43Å; Y383-Y413 AromaticContact CD2-CE2 3.59Å; Y383-Y413 HydrophobicContact CD2-CE2 3.59Å; Y383-Y413 AromaticContact CD2-CG 3.88Å; Y383-Y413 HydrophobicContact CD2-CG 3.88Å; Y383-Y413 AromaticContact CD2-CZ 3.39Å; Y383-Y413 HydrophobicContact CE2-CD1 4.41Å; Y383-Y413 AromaticContact CE2-CD2 3.9Å; Y383-Y413 HydrophobicContact CE2-CD2 3.9Å; Y383-Y413 AromaticContact CE2-CE1 3.9Å; Y383-Y413 HydrophobicContact CE2-CE1 3.9Å; Y383-Y413 AromaticContact CE2-CE2 3.31Å; Y383-Y413 HydrophobicContact CE2-CE2 3.31Å; Y383-Y413 HydrophobicContact CE2-CG 4.41Å; Y383-Y413 AromaticContact CE2-CZ 3.31Å; Y383-Y413 HydrophobicContact CG-CD1 4.18Å; Y383-Y413 AromaticContact CG-CE1 3.78Å; Y383-Y413 HydrophobicContact CG-CE1 3.78Å; Y383-Y413 AromaticContact CZ-CZ 3.92Å
384	K	68.9	Low	76.9	Confident	181 Å²	181	71.1 Å²	71.1	79%	0.787	35%	0.35	S	S	*	.	S	Bend	trans	-70.3	-38.8	-171	-171.3	-165.9	170.1	-155.8	0	112.2
385	D	59.6	Low	76.9	Confident	101 Å²	101	75.5 Å²	75.5	54%	0.54	37%	0.368	S	S	.	.	S	Bend	trans	-104.4	167.6	172.3	-51.7	-69.9	0	0	0	107.9	Y383	Y383-D385 CarbonylContact C-O 3.55Å; Y383-D385 WeakPolarHBondContact CD1-O 3.47Å; Y383-D385 HydrophobicContact CE1-CB 4.44Å
386	E	66.9	Low	77	Confident	181 Å²	181	75.3 Å²	75.3	85%	0.846	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-63.5	147.3	-175.4	-67	-172.1	147.1	0	0	112.7	M388	E386-M388 PolarHBondContact O-N 3.36Å
387	F	72.5	Confident	77.2	Confident	72 Å²	72	72.1 Å²	72.1	32%	0.316	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66.2	124.4	-178.4	-74.1	-75.7	0	0	0	111.7	W381 Y383 I391 I393 L400 Y413	W381-F387 HydrophobicContact CB-CZ 4.13Å; W381-F387 WeakPolarHBondContact O-CE2 3.37Å; W381-F387 WeakPolarHBondContact O-CZ 3.48Å; Y383-F387 VanDerWaalsContact CB-CE1 3.47Å; Y383-F387 HydrophobicContact CG-CE1 4.47Å; F387-I391 HydrophobicContact CD1-CD1 4.23Å; F387-I391 HydrophobicContact CD1-CG2 4.01Å; F387-I393 HydrophobicContact CB-CD1 4.47Å; F387-I393 HydrophobicContact CD1-CD1 3.72Å; F387-I393 HydrophobicContact CD2-CD1 3.58Å; F387-I393 HydrophobicContact CE1-CD1 3.64Å; F387-I393 HydrophobicContact CE1-CG1 4.49Å; F387-I393 HydrophobicContact CE2-CD1 3.52Å; F387-I393 HydrophobicContact CG-CD1 3.68Å; F387-I393 HydrophobicContact CZ-CD1 3.54Å; F387-L400 HydrophobicContact CE1-CD1 4.32Å; F387-Y413 HydrophobicContact CE1-CD1 4.23Å; F387-Y413 HydrophobicContact CE1-CE1 4.15Å
388	M	74	Confident	77.5	Confident	66 Å²	66	70.9 Å²	70.9	33%	0.325	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-76.7	155.3	-177.7	-61.7	-179.4	-179.8	0	0	112.4	E386 N390 I391 E408	E386-M388 PolarHBondContact O-N 3.36Å; M388-N390 PolarHBondContact O-N 3.27Å; M388-I391 HydrophobicContact CB-CD1 4.45Å; M388-I391 WeakPolarHBondContact O-CB 3.4Å; M388-I391 PolarHBondContact O-N 3.34Å; M388-E408 HydrophobicContact CE-CB 3.99Å; M388-E408 VanDerWaalsContact CE-O 3.29Å; M388-E408 WeakPolarHBondContact CE-O 3.36Å; M388-E408 HydrophobicContact SD-CB 3.73Å
389	E	74.1	Confident	78.1	Confident	174 Å²	174	68 Å²	68	81%	0.813	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.4	-177.2	-63.1	-175.8	159	0	0	114.9	I391	E389-I391 VanDerWaalsContact C-N 3.31Å
390	N	78	Confident	78.3	Confident	23 Å²	23	67.7 Å²	67.7	12%	0.123	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4	177.8	79.4	-53.9	0	0	0	114.2	M388 K403 N409	M388-N390 PolarHBondContact O-N 3.27Å; N390-K403 WeakPolarHBondContact CB-O 3.21Å; N390-K403 PolarHBondContact ND2-O 2.03Å; N390-K403 PolarHBondContact O-N 3.46Å; N390-N409 PolarHBondContact ND2-OD1 3.04Å; N390-N409 PolarHBondContact OD1-ND2 3.31Å; N390-N409 VanDerWaalsContact OD1-ND2 3.11Å
391	I	81.2	Confident	78.4	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.7	-179	-51.6	-177.7	0	0	0	109.9	F387 M388 E389 I393 L400 I401 I402 Y413	F387-I391 HydrophobicContact CD1-CD1 4.23Å; F387-I391 HydrophobicContact CD1-CG2 4.01Å; M388-I391 HydrophobicContact CB-CD1 4.45Å; M388-I391 WeakPolarHBondContact O-CB 3.4Å; M388-I391 PolarHBondContact O-N 3.34Å; E389-I391 VanDerWaalsContact C-N 3.31Å; I391-I393 HydrophobicContact CG2-CG1 4.36Å; I391-L400 HydrophobicContact CG2-CD1 3.42Å; I391-L400 VanDerWaalsContact CG2-CD1 3.42Å; I391-I401 CarbonylContact C-O 3.54Å; I391-I401 WeakPolarHBondContact CA-O 3.44Å; I391-I402 HydrophobicContact CG1-CG1 4.27Å; I391-I402 HydrophobicContact CG2-CG1 4.33Å; I391-Y413 HydrophobicContact CD1-CE1 4.16Å; I391-Y413 WeakPolarHBondContact CD1-OH 3.29Å
392	E	82.3	Confident	78.3	Confident	83 Å²	83	63.3 Å²	63.3	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.4	174.1	-74.8	178.7	-173.6	0	0	110.9	I401 K403	E392-I401 HydrophobicContact CB-CB 4.3Å; E392-I401 PolarHBondContact N-O 3.47Å; E392-I401 PolarHBondContact O-N 2.85Å; E392-K403 VanDerWaalsContact CD-CE 3.43Å; E392-K403 WeakPolarHBondContact OE1-CE 3.38Å; E392-K403 IonicContact OE1-NZ 2.62Å; E392-K403 PolarHBondContact OE1-NZ 3.44Å; E392-K403 WeakPolarHBondContact OE2-CE 3.37Å; E392-K403 IonicContact OE2-NZ 2.63Å; E392-K403 PolarHBondContact OE2-NZ 2.92Å
393	I	82.7	Confident	78	Confident	57 Å²	57	62.4 Å²	62.4	29%	0.292	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.8	176.1	-51.6	175.5	0	0	0	109.1	W381 F387 I391 Q395 L400	W381-I393 HydrophobicContact CB-CD1 4.31Å; W381-I393 HydrophobicContact CB-CG2 4.03Å; W381-I393 HydrophobicContact CG-CG2 4.17Å; F387-I393 HydrophobicContact CB-CD1 4.47Å; F387-I393 HydrophobicContact CD1-CD1 3.72Å; F387-I393 HydrophobicContact CD2-CD1 3.58Å; F387-I393 HydrophobicContact CE1-CD1 3.64Å; F387-I393 HydrophobicContact CE1-CG1 4.49Å; F387-I393 HydrophobicContact CE2-CD1 3.52Å; F387-I393 HydrophobicContact CG-CD1 3.68Å; F387-I393 HydrophobicContact CZ-CD1 3.54Å; I391-I393 HydrophobicContact CG2-CG1 4.36Å; I393-Q395 HydrophobicContact CG2-CG 4Å; I393-L400 HydrophobicContact CG1-CD1 3.97Å
394	N	81.6	Confident	77.7	Confident	33 Å²	33	65 Å²	65	18%	0.176	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	93.7	168.5	-169.4	-46.8	0	0	0	109.6	R240 K396 F397 G398 V399	R240-N394 PolarHBondContact NH1-ND2 3.13Å; N394-K396 VanDerWaalsContact C-N 3.3Å; N394-K396 PolarHBondContact O-N 2.95Å; N394-K396 WeakPolarHBondContact OD1-CB 3.21Å; N394-K396 PolarHBondContact OD1-N 2.96Å; N394-F397 PolarHBondContact O-N 2.99Å; N394-F397 WeakPolarHBondContact OD1-CD2 3.49Å; N394-F397 PolarHBondContact OD1-N 2.84Å; N394-G398 CarbonylContact O-C 3.48Å; N394-G398 WeakPolarHBondContact O-CA 3.44Å; N394-G398 PolarHBondContact O-N 3.04Å; N394-V399 HydrophobicContact CB-CB 4.33Å; N394-V399 PolarHBondContact N-O 3.13Å; N394-V399 PolarHBondContact O-N 3.31Å
395	Q	79.8	Confident	77.8	Confident	105 Å²	105	56.3 Å²	56.3	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.6	-178.7	-64.5	178.9	-1	0	0	112.7	T379 I393 F397 G398	T379-Q395 WeakPolarHBondContact O-CB 3.17Å; I393-Q395 HydrophobicContact CG2-CG 4Å; Q395-F397 PolarHBondContact O-N 2.64Å; Q395-G398 PolarHBondContact O-N 3.37Å
396	K	78.9	Confident	78.7	Confident	86 Å²	86	57.3 Å²	57.3	37%	0.374	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-40.9	178.8	175	176.2	172.3	176.5	0	112.6	D237 N394	D237-K396 WeakPolarHBondContact O-CE 3.23Å; D237-K396 PolarHBondContact O-NZ 2.75Å; D237-K396 IonicContact OD1-NZ 3.14Å; D237-K396 PolarHBondContact OD1-NZ 2.89Å; N394-K396 VanDerWaalsContact C-N 3.3Å; N394-K396 PolarHBondContact O-N 2.95Å; N394-K396 WeakPolarHBondContact OD1-CB 3.21Å; N394-K396 PolarHBondContact OD1-N 2.96Å
397	F	80.9	Confident	79.1	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.009	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.4	175.4	-71.3	-83.6	0	0	0	113.8	T205 R240 L278 H280 N394 Q395 V399	T205-F397 HydrophobicContact CG2-CD1 4.31Å; R240-F397 HydrophobicContact CB-CD1 4.16Å; R240-F397 HydrophobicContact CB-CD2 4.19Å; R240-F397 HydrophobicContact CB-CE1 4.02Å; R240-F397 HydrophobicContact CB-CE2 4.07Å; R240-F397 HydrophobicContact CB-CG 4.23Å; R240-F397 HydrophobicContact CB-CZ 3.98Å; L278-F397 HydrophobicContact CB-CD1 3.66Å; L278-F397 HydrophobicContact CB-CE1 4.07Å; L278-F397 HydrophobicContact CD1-CB 4.02Å; L278-F397 HydrophobicContact CD1-CD1 4.24Å; H280-F397 HydrophobicContact CB-CD1 3.82Å; H280-F397 HydrophobicContact CB-CE1 3.53Å; H280-F397 HydrophobicContact CB-CZ 4.12Å; N394-F397 PolarHBondContact O-N 2.99Å; N394-F397 WeakPolarHBondContact OD1-CD2 3.49Å; N394-F397 PolarHBondContact OD1-N 2.84Å; Q395-F397 PolarHBondContact O-N 2.64Å; F397-V399 VanDerWaalsContact C-N 3.33Å; F397-V399 HydrophobicContact CB-CG2 3.69Å; F397-V399 WeakPolarHBondContact O-CG2 3.35Å; F397-V399 PolarHBondContact O-N 3.21Å
398	G	83.4	Confident	79.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	22.9	-176.7	0	0	0	0	0	115.6	F368 C369 W381 N394 Q395	F368-G398 WeakPolarHBondContact CA-O 3.49Å; C369-G398 PolarHBondContact N-O 3.22Å; C369-G398 WeakPolarHBondContact O-CA 3.35Å; W381-G398 PolarHBondContact NE1-O 3.16Å; N394-G398 CarbonylContact O-C 3.48Å; N394-G398 WeakPolarHBondContact O-CA 3.44Å; N394-G398 PolarHBondContact O-N 3.04Å; Q395-G398 PolarHBondContact O-N 3.37Å
399	V	85	Confident	80	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.4	-170.4	-169.5	0	0	0	0	111.9	I242 L278 T366 L367 F368 N394 F397 I401	I242-V399 HydrophobicContact CD1-CG1 3.81Å; I242-V399 HydrophobicContact CD1-CG2 3.81Å; L278-V399 HydrophobicContact CD1-CG2 3.56Å; T366-V399 HydrophobicContact CG2-CG1 3.57Å; L367-V399 WeakPolarHBondContact O-CA 3.48Å; F368-V399 HydrophobicContact CB-CG2 4.34Å; N394-V399 HydrophobicContact CB-CB 4.33Å; N394-V399 PolarHBondContact N-O 3.13Å; N394-V399 PolarHBondContact O-N 3.31Å; F397-V399 VanDerWaalsContact C-N 3.33Å; F397-V399 HydrophobicContact CB-CG2 3.69Å; F397-V399 WeakPolarHBondContact O-CG2 3.35Å; F397-V399 PolarHBondContact O-N 3.21Å; V399-I401 HydrophobicContact CG1-CD1 4.42Å; V399-I401 HydrophobicContact CG1-CG1 3.9Å
400	L	86	Confident	80.4	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.6	169.4	175.9	70.7	0	0	0	108.4	T366 L367 W381 F387 I391 I393 Y413 F429	T366-L400 WeakPolarHBondContact CA-O 3.48Å; L367-L400 PolarHBondContact N-O 3.13Å; L367-L400 PolarHBondContact O-N 3.48Å; W381-L400 HydrophobicContact CD2-CB 4Å; W381-L400 HydrophobicContact CD2-CD2 4.35Å; W381-L400 HydrophobicContact CE3-CB 4.44Å; W381-L400 HydrophobicContact CE3-CD2 3.99Å; W381-L400 HydrophobicContact CG-CB 4.48Å; W381-L400 HydrophobicContact CH2-CB 4.21Å; W381-L400 HydrophobicContact CH2-CD2 4.14Å; W381-L400 HydrophobicContact CZ2-CB 3.77Å; W381-L400 HydrophobicContact CZ3-CD2 3.89Å; F387-L400 HydrophobicContact CE1-CD1 4.32Å; I391-L400 HydrophobicContact CG2-CD1 3.42Å; I391-L400 VanDerWaalsContact CG2-CD1 3.42Å; I393-L400 HydrophobicContact CG1-CD1 3.97Å; L400-Y413 HydrophobicContact CD2-CD1 3.74Å; L400-Y413 HydrophobicContact CD2-CE1 4.29Å; L400-Y413 HydrophobicContact CD2-CG 4.28Å; L400-F429 HydrophobicContact CD2-CZ 4.33Å
401	I	83.7	Confident	80.8	Confident	22 Å²	22	43.8 Å²	43.8	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.3	175.4	-51.1	179.7	0	0	0	108.6	L365 T366 I391 E392 V399 K403	L365-I401 CarbonylContact O-C 3.53Å; L365-I401 WeakPolarHBondContact O-CA 3.47Å; T366-I401 HydrophobicContact CG2-CG1 3.87Å; I391-I401 CarbonylContact C-O 3.54Å; I391-I401 WeakPolarHBondContact CA-O 3.44Å; E392-I401 HydrophobicContact CB-CB 4.3Å; E392-I401 PolarHBondContact N-O 3.47Å; E392-I401 PolarHBondContact O-N 2.85Å; V399-I401 HydrophobicContact CG1-CD1 4.42Å; V399-I401 HydrophobicContact CG1-CG1 3.9Å; I401-K403 HydrophobicContact CG2-CG 3.96Å
402	I	82.4	Confident	81	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.5	167.7	-56.3	178.8	0	0	0	107.2	N364 L365 I391 A405 N409 Y413 I431	N364-I402 WeakPolarHBondContact CA-O 3.25Å; L365-I402 PolarHBondContact N-O 3.34Å; L365-I402 PolarHBondContact O-N 3.11Å; I391-I402 HydrophobicContact CG1-CG1 4.27Å; I391-I402 HydrophobicContact CG2-CG1 4.33Å; I402-A405 HydrophobicContact CG2-CB 4.09Å; I402-N409 HydrophobicContact CD1-CB 4.49Å; I402-N409 HydrophobicContact CG2-CB 4.26Å; I402-Y413 HydrophobicContact CD1-CE1 4.31Å; I402-Y413 HydrophobicContact CD1-CE2 4.35Å; I402-I431 HydrophobicContact CD1-CD1 3.52Å
403	K	76.7	Confident	81.2	Confident	76 Å²	76	42.6 Å²	42.6	33%	0.33	20%	0.2	S	C	.	.	S	Bend	trans	-92.3	128.7	177.8	-65.9	-175.9	177.3	175.7	0	110.1	N364 N390 E392 I401	N364-K403 VanDerWaalsContact OD1-CA 3.3Å; N364-K403 WeakPolarHBondContact OD1-CA 3.46Å; N390-K403 WeakPolarHBondContact CB-O 3.21Å; N390-K403 PolarHBondContact ND2-O 2.03Å; N390-K403 PolarHBondContact O-N 3.46Å; E392-K403 VanDerWaalsContact CD-CE 3.43Å; E392-K403 WeakPolarHBondContact OE1-CE 3.38Å; E392-K403 IonicContact OE1-NZ 2.62Å; E392-K403 PolarHBondContact OE1-NZ 3.44Å; E392-K403 WeakPolarHBondContact OE2-CE 3.37Å; E392-K403 IonicContact OE2-NZ 2.63Å; E392-K403 PolarHBondContact OE2-NZ 2.92Å; I401-K403 HydrophobicContact CG2-CG 3.96Å
404	Y	73.7	Confident	81.4	Confident	82 Å²	82	41.6 Å²	41.6	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	48.3	69.2	-178	-51.3	-75.9	0	0	0	112	N362 T363 N364 R406	N362-Y404 WeakPolarHBondContact O-CD1 3.32Å; T363-Y404 WeakPolarHBondContact O-CA 3.44Å; T363-Y404 PolarHBondContact O-N 2.86Å; N364-Y404 PolarHBondContact OD1-N 2.89Å; Y404-R406 WeakPolarHBondContact O-CG 3.47Å; Y404-R406 PolarHBondContact O-N 2.78Å
405	A	70.7	Confident	81.6	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.			trans	-52.9	126.1	-172.7	0	0	0	0	0	112.7	I359 E361 N362 T363 I402 V433	I359-A405 HydrophobicContact CD1-CB 3.46Å; I359-A405 VanDerWaalsContact CD1-CB 3.46Å; I359-A405 HydrophobicContact CG1-CB 4.2Å; E361-A405 CarbonylContact C-O 3.52Å; E361-A405 WeakPolarHBondContact CA-O 3.23Å; N362-A405 PolarHBondContact N-O 2.77Å; T363-A405 WeakPolarHBondContact O-CB 3.14Å; T363-A405 PolarHBondContact O-N 2.83Å; I402-A405 HydrophobicContact CG2-CB 4.09Å; A405-V433 HydrophobicContact CB-CG1 4.48Å
406	R	79.3	Confident	81.7	Confident	121 Å²	121	35.5 Å²	35.5	46%	0.457	17%	0.168	S	C	.	.			trans	-106.2	162.1	-180	-60.5	-174.9	-174.1	172.7	4.3	111	Y404 E408 N409 V433	Y404-R406 WeakPolarHBondContact O-CG 3.47Å; Y404-R406 PolarHBondContact O-N 2.78Å; R406-E408 HydrophobicContact CB-CB 4.1Å; R406-E408 HydrophobicContact CB-CG 4.33Å; R406-E408 WeakPolarHBondContact CD-OE2 3.36Å; R406-E408 IonicContact CZ-OE2 3.1Å; R406-E408 IonicContact NE-OE2 2.8Å; R406-E408 IonicContact NH1-OE2 2.69Å; R406-E408 PolarHBondContact NH1-OE2 3.27Å; R406-E408 PolarHBondContact O-N 2.87Å; R406-E408 VanDerWaalsContact O-N 3.09Å; R406-N409 PolarHBondContact N-OD1 3.37Å; R406-N409 WeakPolarHBondContact O-CB 3.38Å; R406-N409 PolarHBondContact O-N 3.26Å; R406-V433 WeakPolarHBondContact O-CG2 3.29Å
407	P	75.5	Confident	81.6	Confident	40 Å²	40	31.6 Å²	31.6	26%	0.26	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-56.7	-26.4	169.8	-23.7	36	0	0	0	112.6	E361 N409 E410 R435	E361-P407 WeakPolarHBondContact OE1-CD 3.35Å; E361-P407 VanDerWaalsContact OE1-CG 3.28Å; E361-P407 WeakPolarHBondContact OE1-CG 3.23Å; P407-N409 PolarHBondContact O-N 3.07Å; P407-E410 PolarHBondContact O-N 3.34Å; P407-R435 HydrophobicContact CG-CG 4.16Å; P407-R435 VanDerWaalsContact CG-NE 3.31Å
408	E	80.8	Confident	80.7	Confident	105 Å²	105	35.4 Å²	35.4	49%	0.491	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.6	-18.4	173.8	-55	171.7	153.8	0	0	113.3	Y383 M388 R406	Y383-E408 PolarHBondContact OH-O 2.98Å; M388-E408 HydrophobicContact CE-CB 3.99Å; M388-E408 VanDerWaalsContact CE-O 3.29Å; M388-E408 WeakPolarHBondContact CE-O 3.36Å; M388-E408 HydrophobicContact SD-CB 3.73Å; R406-E408 HydrophobicContact CB-CB 4.1Å; R406-E408 HydrophobicContact CB-CG 4.33Å; R406-E408 WeakPolarHBondContact CD-OE2 3.36Å; R406-E408 IonicContact CZ-OE2 3.1Å; R406-E408 IonicContact NE-OE2 2.8Å; R406-E408 IonicContact NH1-OE2 2.69Å; R406-E408 PolarHBondContact NH1-OE2 3.27Å; R406-E408 PolarHBondContact O-N 2.87Å; R406-E408 VanDerWaalsContact O-N 3.09Å
409	N	82.5	Confident	79.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-98.3	5.4	177.9	-49.3	134.1	0	0	0	113.5	N390 I402 R406 P407 G411 Y413	N390-N409 PolarHBondContact ND2-OD1 3.04Å; N390-N409 PolarHBondContact OD1-ND2 3.31Å; N390-N409 VanDerWaalsContact OD1-ND2 3.11Å; I402-N409 HydrophobicContact CD1-CB 4.49Å; I402-N409 HydrophobicContact CG2-CB 4.26Å; R406-N409 PolarHBondContact N-OD1 3.37Å; R406-N409 WeakPolarHBondContact O-CB 3.38Å; R406-N409 PolarHBondContact O-N 3.26Å; P407-N409 PolarHBondContact O-N 3.07Å; N409-G411 PolarHBondContact O-N 2.81Å; N409-Y413 PolarHBondContact O-OH 3.49Å
410	E	83.8	Confident	78.1	Confident	73 Å²	73	42.7 Å²	42.7	34%	0.341	22%	0.219	S	C	.	.			trans	-71.8	123.5	169.6	163.6	158.8	177.3	0	0	110.5	Y383 P407 R430 I431 V433	Y383-E410 PolarHBondContact OH-O 3.01Å; P407-E410 PolarHBondContact O-N 3.34Å; E410-R430 IonicContact OE1-CZ 3.41Å; E410-R430 VanDerWaalsContact OE1-CZ 3.28Å; E410-R430 IonicContact OE1-NH1 2.8Å; E410-R430 PolarHBondContact OE1-NH1 3.44Å; E410-R430 IonicContact OE1-NH2 2.91Å; E410-R430 PolarHBondContact OE1-NH2 2.84Å; E410-I431 WeakPolarHBondContact CG-O 3.4Å; E410-V433 HydrophobicContact CB-CG2 4.48Å
411	G	85.6	Confident	76.5	Confident	14 Å²	14	50.4 Å²	50.4	14%	0.144	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-167.1	177.7	0	0	0	0	0	113.4	N409 R430 I431	N409-G411 PolarHBondContact O-N 2.81Å; G411-R430 CarbonylContact O-C 3.52Å; G411-R430 WeakPolarHBondContact O-CA 3.47Å; G411-I431 PolarHBondContact N-O 2.85Å; G411-I431 PolarHBondContact O-N 3.1Å
412	I	85.5	Confident	74.9	Confident	74 Å²	74	51.8 Å²	51.8	38%	0.379	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.4	178.8	-59.6	174.8	0	0	0	108.8	I354 Y383 F429 R430	I354-I412 HydrophobicContact CD1-CD1 4.34Å; Y383-I412 WeakPolarHBondContact CD2-O 3.37Å; I412-F429 WeakPolarHBondContact CA-O 3.1Å; I412-R430 HydrophobicContact CG1-CB 4.48Å; I412-R430 HydrophobicContact CG1-CG 4.34Å
413	Y	87.8	Confident	73.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.7	175.5	-67.5	-101.7	0	0	0	108.6	Y382 Y383 F387 I391 L400 I402 N409 S428 F429 I431	Y382-Y413 WeakPolarHBondContact O-CA 3.4Å; Y383-Y413 HydrophobicContact CD1-CE1 4.49Å; Y383-Y413 AromaticContact CD2-CD1 3.68Å; Y383-Y413 HydrophobicContact CD2-CD1 3.68Å; Y383-Y413 AromaticContact CD2-CD2 3.84Å; Y383-Y413 HydrophobicContact CD2-CD2 3.84Å; Y383-Y413 AromaticContact CD2-CE1 3.43Å; Y383-Y413 HydrophobicContact CD2-CE1 3.43Å; Y383-Y413 VanDerWaalsContact CD2-CE1 3.43Å; Y383-Y413 AromaticContact CD2-CE2 3.59Å; Y383-Y413 HydrophobicContact CD2-CE2 3.59Å; Y383-Y413 AromaticContact CD2-CG 3.88Å; Y383-Y413 HydrophobicContact CD2-CG 3.88Å; Y383-Y413 AromaticContact CD2-CZ 3.39Å; Y383-Y413 HydrophobicContact CE2-CD1 4.41Å; Y383-Y413 AromaticContact CE2-CD2 3.9Å; Y383-Y413 HydrophobicContact CE2-CD2 3.9Å; Y383-Y413 AromaticContact CE2-CE1 3.9Å; Y383-Y413 HydrophobicContact CE2-CE1 3.9Å; Y383-Y413 AromaticContact CE2-CE2 3.31Å; Y383-Y413 HydrophobicContact CE2-CE2 3.31Å; Y383-Y413 HydrophobicContact CE2-CG 4.41Å; Y383-Y413 AromaticContact CE2-CZ 3.31Å; Y383-Y413 HydrophobicContact CG-CD1 4.18Å; Y383-Y413 AromaticContact CG-CE1 3.78Å; Y383-Y413 HydrophobicContact CG-CE1 3.78Å; Y383-Y413 AromaticContact CZ-CZ 3.92Å; F387-Y413 HydrophobicContact CE1-CD1 4.23Å; F387-Y413 HydrophobicContact CE1-CE1 4.15Å; I391-Y413 HydrophobicContact CD1-CE1 4.16Å; I391-Y413 WeakPolarHBondContact CD1-OH 3.29Å; L400-Y413 HydrophobicContact CD2-CD1 3.74Å; L400-Y413 HydrophobicContact CD2-CE1 4.29Å; L400-Y413 HydrophobicContact CD2-CG 4.28Å; I402-Y413 HydrophobicContact CD1-CE1 4.31Å; I402-Y413 HydrophobicContact CD1-CE2 4.35Å; N409-Y413 PolarHBondContact O-OH 3.49Å; Y413-S428 VanDerWaalsContact O-CA 3.29Å; Y413-S428 WeakPolarHBondContact O-CA 3.32Å; Y413-F429 HydrophobicContact CD2-CE2 4.45Å; Y413-F429 HydrophobicContact CG-CE2 4.22Å; Y413-F429 PolarHBondContact N-O 3.49Å; Y413-F429 PolarHBondContact O-N 3.3Å; Y413-I431 HydrophobicContact CD2-CB 4.24Å; Y413-I431 HydrophobicContact CD2-CD1 3.65Å; Y413-I431 HydrophobicContact CD2-CG1 3.93Å; Y413-I431 HydrophobicContact CE2-CB 4.08Å; Y413-I431 HydrophobicContact CE2-CD1 3.66Å; Y413-I431 HydrophobicContact CE2-CG1 4.12Å; Y413-I431 HydrophobicContact CG-CD1 4.33Å
414	T	85.4	Confident	72.4	Confident	36 Å²	36	64.5 Å²	64.5	22%	0.221	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131	180	-57.7	0	0	0	0	109.3	Y382 K427 S428	Y382-T414 PolarHBondContact N-O 3.47Å; Y382-T414 PolarHBondContact O-N 2.69Å; T414-K427 WeakPolarHBondContact CA-O 3.25Å; T414-S428 WeakPolarHBondContact CG2-OG 3.47Å; T414-S428 WeakPolarHBondContact OG1-CB 3.5Å; T414-S428 PolarHBondContact OG1-OG 3.11Å
415	C	87	Confident	71.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.3	160.5	64.2	0	0	0	0	110.2	C369 T379 R380 W381 G426 K427	C369-C415 HydrophobicContact CB-CB 3.46Å; C369-C415 VanDerWaalsContact CB-CB 3.46Å; C369-C415 WeakPolarHBondContact CB-SG 3.48Å; C369-C415 WeakPolarHBondContact SG-CB 3.28Å; C369-C415 CovalentContact SG-SG 2.03Å; C369-C415 PolarHBondContact SG-SG 3.38Å; T379-C415 HydrophobicContact CG2-CB 4.25Å; R380-C415 VanDerWaalsContact O-CA 3.29Å; R380-C415 WeakPolarHBondContact O-CA 3.15Å; W381-C415 HydrophobicContact CD2-CB 3.9Å; W381-C415 HydrophobicContact CE3-CB 3.74Å; W381-C415 HydrophobicContact CH2-CB 3.94Å; W381-C415 HydrophobicContact CZ2-CB 4.06Å; W381-C415 HydrophobicContact CZ3-CB 3.74Å; C415-G426 CarbonylContact O-C 3.42Å; C415-G426 WeakPolarHBondContact O-CA 2.97Å; C415-K427 PolarHBondContact N-O 3.32Å; C415-K427 PolarHBondContact O-N 3.3Å
416	S	82.1	Confident	71.9	Confident	10 Å²	10	65.2 Å²	65.2	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.3	167.5	79	0	0	0	0	111.4	R380 Y382	R380-S416 PolarHBondContact N-O 2.94Å; R380-S416 PolarHBondContact O-N 2.79Å; Y382-S416 WeakPolarHBondContact CE2-OG 3.24Å
417	V	75.9	Confident	71.8	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	149.5	158.3	-165.1	0	0	0	0	109.1	F371 V377 N419 I425	F371-V417 HydrophobicContact CB-CG2 4.45Å; F371-V417 HydrophobicContact CD1-CG2 3.39Å; F371-V417 HydrophobicContact CD2-CG2 3.8Å; F371-V417 HydrophobicContact CE1-CG2 3.35Å; F371-V417 HydrophobicContact CE2-CG2 3.77Å; F371-V417 HydrophobicContact CG-CG2 3.62Å; F371-V417 HydrophobicContact CZ-CG2 3.55Å; V377-V417 HydrophobicContact CB-CG1 3.52Å; V377-V417 HydrophobicContact CG1-CG1 3.92Å; V377-V417 HydrophobicContact CG2-CB 4.47Å; V377-V417 HydrophobicContact CG2-CG1 3.55Å; V377-V417 HydrophobicContact CG2-CG2 4.03Å; V417-N419 HydrophobicContact CG1-CB 3.77Å; V417-I425 PolarHBondContact N-O 2.76Å
418	D	62.6	Low	72.1	Confident	81 Å²	81	62.8 Å²	62.8	43%	0.433	34%	0.339	S	S	.	.			trans	-113.9	103.2	158.7	-163.9	-5.5	0	0	0	108.6	R380	R380-D418 HydrophobicContact CG-CB 4.34Å; R380-D418 IonicContact CZ-OD2 3.84Å; R380-D418 IonicContact NE-OD2 2.84Å; R380-D418 IonicContact NH1-OD2 2.72Å; R380-D418 PolarHBondContact NH1-OD2 3.03Å; R380-D418 IonicContact NH2-OD2 2.97Å
419	N	57.7	Low	72	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.273	32%	0.316	S	S	.	.			trans	-152.4	126.6	-177.6	-170.8	-3.1	0	0	0	109.6	V377 V417 H421	V377-N419 HydrophobicContact CG1-CB 4.47Å; V377-N419 WeakPolarHBondContact CG1-ND2 3.16Å; V417-N419 HydrophobicContact CG1-CB 3.77Å; N419-H421 PolarHBondContact O-N 2.81Å
420	S	55.2	Low	72	Confident	103 Å²	103	61.7 Å²	61.7	72%	0.72	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	5.3	-169.4	44.9	0	0	0	0	115.9
421	H	52.4	Low	72	Confident	165 Å²	165	58.2 Å²	58.2	76%	0.764	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	7	-167.4	-59.3	-62.4	0	0	0	115	N419	N419-H421 PolarHBondContact O-N 2.81Å
422	S	50.2	Low	71.7	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	32%	0.315	S	S	.	.	S	Bend	trans	-138.3	154.3	172.5	59.5	0	0	0	0	112.5
423	K	52.1	Low	71.3	Confident	199 Å²	199	55.8 Å²	55.8	87%	0.865	30%	0.299	S	S	*	.			trans	-60.3	136	172.1	-156.8	173.3	-172.1	176.4	0	108	I425	K423-I425 PolarHBondContact O-N 2.78Å
424	L	54.4	Low	70.3	Confident	144 Å²	144	59.5 Å²	59.5	75%	0.754	32%	0.318	S	S	*	.			trans	-52.9	97.9	-174.2	-83.3	165	0	0	0	112.5
425	I	63.3	Low	68.9	Low	61 Å²	61	65.5 Å²	65.5	31%	0.313	34%	0.336	S	S	.	.			trans	-87.5	109.9	170.1	-66.8	158.3	0	0	0	106.8	T320 L322 F371 V417 K423	T320-I425 VanDerWaalsContact OG1-CD1 3.25Å; T320-I425 WeakPolarHBondContact OG1-CD1 3.48Å; L322-I425 HydrophobicContact CB-CG2 4.12Å; L322-I425 HydrophobicContact CD2-CG2 4.41Å; F371-I425 HydrophobicContact CE1-CG2 4.13Å; V417-I425 PolarHBondContact N-O 2.76Å; K423-I425 PolarHBondContact O-N 2.78Å
426	G	70.3	Confident	66.8	Low	37 Å²	37	67.1 Å²	67.1	38%	0.381	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.8	177.4	0	0	0	0	0	110.9	C415	C415-G426 CarbonylContact O-C 3.42Å; C415-G426 WeakPolarHBondContact O-CA 2.97Å
427	K	77.8	Confident	64.6	Low	68 Å²	68	70.8 Å²	70.8	30%	0.296	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.4	179.9	-168	161.2	-169.6	169.6	0	111.1	L322 F324 D327 T414 C415	L322-K427 HydrophobicContact CD2-CB 3.98Å; F324-K427 HydrophobicContact CD1-CD 4.33Å; F324-K427 HydrophobicContact CG-CD 4.46Å; D327-K427 IonicContact OD1-NZ 2.81Å; D327-K427 PolarHBondContact OD1-NZ 3.43Å; D327-K427 WeakPolarHBondContact OD2-CE 3.48Å; D327-K427 IonicContact OD2-NZ 3.81Å; D327-K427 PolarHBondContact OD2-NZ 2.85Å; T414-K427 WeakPolarHBondContact CA-O 3.25Å; C415-K427 PolarHBondContact N-O 3.32Å; C415-K427 PolarHBondContact O-N 3.3Å
428	S	80.6	Confident	62.7	Low	42 Å²	42	75.6 Å²	75.6	29%	0.294	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.8	-178.9	-50.9	0	0	0	0	111.2	Y413 T414	Y413-S428 VanDerWaalsContact O-CA 3.29Å; Y413-S428 WeakPolarHBondContact O-CA 3.32Å; T414-S428 WeakPolarHBondContact CG2-OG 3.47Å; T414-S428 WeakPolarHBondContact OG1-CB 3.5Å; T414-S428 PolarHBondContact OG1-OG 3.11Å
429	F	80.6	Confident	61.4	Low	2 Å²	2	73.8 Å²	73.8	1%	0.009	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.2	176.1	52.5	-89.1	0	0	0	110.1	F324 K355 I357 L367 W381 L400 I412 Y413 I431	F324-F429 HydrophobicContact CE1-CD1 4.15Å; F324-F429 HydrophobicContact CE1-CE1 4.4Å; F324-F429 HydrophobicContact CE2-CD1 4.32Å; F324-F429 AromaticContact CE2-CE1 3.88Å; F324-F429 HydrophobicContact CE2-CE1 3.88Å; F324-F429 AromaticContact CZ-CD1 3.54Å; F324-F429 HydrophobicContact CZ-CD1 3.54Å; F324-F429 AromaticContact CZ-CE1 3.38Å; F324-F429 HydrophobicContact CZ-CE1 3.38Å; F324-F429 HydrophobicContact CZ-CZ 4.24Å; K355-F429 HydrophobicContact CB-CB 4.43Å; K355-F429 CarbonylContact O-C 3.56Å; K355-F429 VanDerWaalsContact O-CA 3.25Å; K355-F429 WeakPolarHBondContact O-CA 3.18Å; K355-F429 VanDerWaalsContact O-CB 3.28Å; K355-F429 WeakPolarHBondContact O-CB 3.5Å; I357-F429 HydrophobicContact CD1-CB 4.32Å; I357-F429 HydrophobicContact CD1-CD2 3.43Å; I357-F429 VanDerWaalsContact CD1-CD2 3.43Å; I357-F429 HydrophobicContact CD1-CE2 3.96Å; I357-F429 HydrophobicContact CD1-CG 4Å; I357-F429 HydrophobicContact CG1-CD2 4.33Å; L367-F429 HydrophobicContact CD1-CD2 4.03Å; L367-F429 HydrophobicContact CD1-CE1 4.23Å; L367-F429 HydrophobicContact CD1-CE2 3.19Å; L367-F429 HydrophobicContact CD1-CZ 3.31Å; W381-F429 AromaticContact CH2-CE1 3.63Å; W381-F429 HydrophobicContact CH2-CE1 3.63Å; W381-F429 AromaticContact CH2-CZ 3.61Å; W381-F429 HydrophobicContact CH2-CZ 3.61Å; W381-F429 AromaticContact CZ3-CE1 3.47Å; W381-F429 HydrophobicContact CZ3-CE1 3.47Å; W381-F429 VanDerWaalsContact CZ3-CE1 3.47Å; W381-F429 AromaticContact CZ3-CZ 3.41Å; W381-F429 HydrophobicContact CZ3-CZ 3.41Å; W381-F429 VanDerWaalsContact CZ3-CZ 3.41Å; L400-F429 HydrophobicContact CD2-CZ 4.33Å; I412-F429 WeakPolarHBondContact CA-O 3.1Å; Y413-F429 HydrophobicContact CD2-CE2 4.45Å; Y413-F429 HydrophobicContact CG-CE2 4.22Å; Y413-F429 PolarHBondContact N-O 3.49Å; Y413-F429 PolarHBondContact O-N 3.3Å; F429-I431 HydrophobicContact CD2-CG1 4.06Å; F429-I431 HydrophobicContact CE2-CD1 3.98Å; F429-I431 HydrophobicContact CE2-CG1 4.01Å
430	R	82.2	Confident	60.2	Low	79 Å²	79	77.6 Å²	77.6	30%	0.298	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.1	-178.9	-168.3	178.6	-159.5	-76.3	-14.6	109.4	I354 K355 E356 I357 E410 G411 I412 I432	I354-R430 HydrophobicContact CG2-CB 4.17Å; K355-R430 PolarHBondContact O-N 3.18Å; E356-R430 CarbonylContact C-O 3.57Å; E356-R430 WeakPolarHBondContact CA-O 3.32Å; E356-R430 HydrophobicContact CG-CB 4.33Å; I357-R430 PolarHBondContact N-O 2.97Å; E410-R430 IonicContact OE1-CZ 3.41Å; E410-R430 VanDerWaalsContact OE1-CZ 3.28Å; E410-R430 IonicContact OE1-NH1 2.8Å; E410-R430 PolarHBondContact OE1-NH1 3.44Å; E410-R430 IonicContact OE1-NH2 2.91Å; E410-R430 PolarHBondContact OE1-NH2 2.84Å; G411-R430 CarbonylContact O-C 3.52Å; G411-R430 WeakPolarHBondContact O-CA 3.47Å; I412-R430 HydrophobicContact CG1-CB 4.48Å; I412-R430 HydrophobicContact CG1-CG 4.34Å; R430-I432 HydrophobicContact CG-CG1 4.37Å
431	I	83.2	Confident	59.3	Low	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.9	170.5	-66.7	-178.7	0	0	0	108.6	I357 I359 L365 I402 E410 G411 Y413 F429 V433	I357-I431 HydrophobicContact CD1-CG1 4.45Å; I357-I431 WeakPolarHBondContact O-CA 3.38Å; I359-I431 HydrophobicContact CD1-CG2 3.66Å; I359-I431 HydrophobicContact CG1-CG2 4.11Å; L365-I431 HydrophobicContact CD2-CD1 3.48Å; L365-I431 VanDerWaalsContact CD2-CD1 3.48Å; L365-I431 HydrophobicContact CD2-CG1 4.14Å; I402-I431 HydrophobicContact CD1-CD1 3.52Å; E410-I431 WeakPolarHBondContact CG-O 3.4Å; G411-I431 PolarHBondContact N-O 2.85Å; G411-I431 PolarHBondContact O-N 3.1Å; Y413-I431 HydrophobicContact CD2-CB 4.24Å; Y413-I431 HydrophobicContact CD2-CD1 3.65Å; Y413-I431 HydrophobicContact CD2-CG1 3.93Å; Y413-I431 HydrophobicContact CE2-CB 4.08Å; Y413-I431 HydrophobicContact CE2-CD1 3.66Å; Y413-I431 HydrophobicContact CE2-CG1 4.12Å; Y413-I431 HydrophobicContact CG-CD1 4.33Å; F429-I431 HydrophobicContact CD2-CG1 4.06Å; F429-I431 HydrophobicContact CE2-CD1 3.98Å; F429-I431 HydrophobicContact CE2-CG1 4.01Å; I431-V433 HydrophobicContact CG2-CG2 4.17Å
432	I	80.3	Confident	58.8	Low	29 Å²	29	74.6 Å²	74.6	15%	0.149	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.5	177.3	-54.1	-176	0	0	0	107.9	E356 I357 K358 I359 R430	E356-I432 HydrophobicContact CB-CD1 4.45Å; I357-I432 PolarHBondContact O-N 3.06Å; K358-I432 HydrophobicContact CG-CB 4.18Å; K358-I432 HydrophobicContact CG-CD1 4.49Å; I359-I432 PolarHBondContact N-O 2.66Å; R430-I432 HydrophobicContact CG-CG1 4.37Å
433	V	75.7	Confident	58.5	Low	9 Å²	9	75.8 Å²	75.8	6%	0.055	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.1	-175.1	-173.1	0	0	0	0	110.7	I359 E361 A405 R406 E410 I431	I359-V433 HydrophobicContact CD1-CG2 4.15Å; I359-V433 HydrophobicContact CG1-CG2 4Å; I359-V433 CarbonylContact O-C 3.44Å; I359-V433 WeakPolarHBondContact O-CA 3.47Å; E361-V433 HydrophobicContact CB-CG1 4.08Å; E361-V433 HydrophobicContact CG-CG1 4.49Å; A405-V433 HydrophobicContact CB-CG1 4.48Å; R406-V433 WeakPolarHBondContact O-CG2 3.29Å; E410-V433 HydrophobicContact CB-CG2 4.48Å; I431-V433 HydrophobicContact CG2-CG2 4.17Å
434	I	67.9	Low	58.6	Low	77 Å²	77	69.3 Å²	69.3	40%	0.395	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.9	179.1	-58.2	178.8	0	0	0	109.2	K358 I359 N360 E361	K358-I434 HydrophobicContact CB-CD1 3.98Å; K358-I434 HydrophobicContact CD-CD1 4.44Å; K358-I434 HydrophobicContact CG-CD1 4.46Å; I359-I434 PolarHBondContact O-N 2.65Å; N360-I434 CarbonylContact C-O 3.48Å; N360-I434 WeakPolarHBondContact CA-O 3.16Å; E361-I434 PolarHBondContact N-O 2.92Å
435	R	55.1	Low	59.1	Low	162 Å²	162	68.7 Å²	68.7	61%	0.611	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-97.7	146.3	176.4	-51.5	-175.4	-134.2	161.8	4.5	110.4	E361 P407	E361-R435 HydrophobicContact CB-CG 4.34Å; E361-R435 WeakPolarHBondContact OE2-CB 3.08Å; E361-R435 VanDerWaalsContact OE2-CG 3.23Å; E361-R435 WeakPolarHBondContact OE2-CG 3.35Å; P407-R435 HydrophobicContact CG-CG 4.16Å; P407-R435 VanDerWaalsContact CG-NE 3.31Å
436	A	42.8	Very low	59.2	Low	35 Å²	35	70.5 Å²	70.5	29%	0.289	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-72.9	155.1	165.7	0	0	0	0	0	110.3	T438	A436-T438 PolarHBondContact O-N 3.18Å; A436-T438 VanDerWaalsContact O-N 3.13Å
437	P	35.9	Very low	59.3	Low	87 Å²	87	70.3 Å²	70.3	57%	0.565	37%	0.368	S	S	*	.			trans	-65.3	110.8	172.7	-16	30.6	0	0	0	109.8	T439	P437-T439 PolarHBondContact O-N 3Å
438	T	36.2	Very low	59	Low	106 Å²	106	70.4 Å²	70.4	65%	0.65	37%	0.374	S	S	*	.			trans	-68.5	101	-175.4	40.1	0	0	0	0	111.9	A436 N440	A436-T438 PolarHBondContact O-N 3.18Å; A436-T438 VanDerWaalsContact O-N 3.13Å; T438-N440 VanDerWaalsContact C-N 3.29Å; T438-N440 PolarHBondContact O-N 2.84Å
439	T	35.6	Very low	58.9	Low	42 Å²	42	69.1 Å²	69.1	26%	0.258	36%	0.364	S	S	.	.			trans	-70.6	77.9	178.8	39.7	0	0	0	0	111.9	P437 L441 E578	P437-T439 PolarHBondContact O-N 3Å; T439-L441 PolarHBondContact O-N 3.01Å; T439-E578 WeakPolarHBondContact CB-OE2 3.38Å; T439-E578 WeakPolarHBondContact CG2-OE2 3.43Å; T439-E578 PolarHBondContact OG1-OE2 3.04Å
440	N	31.6	Very low	58.7	Low	132 Å²	132	73.7 Å²	73.7	71%	0.706	39%	0.386	S	S	*	.			trans	-69.9	45.2	177.9	-73.1	-21.2	0	0	0	114	T438	T438-N440 VanDerWaalsContact C-N 3.29Å; T438-N440 PolarHBondContact O-N 2.84Å
441	L	36.4	Very low	58.4	Low	87 Å²	87	75.2 Å²	75.2	46%	0.455	40%	0.399	S	S	.	.			trans	-123.2	35.4	174.9	-93.3	89.1	0	0	0	112.3	T439 N443	T439-L441 PolarHBondContact O-N 3.01Å; L441-N443 PolarHBondContact O-N 2.98Å
442	L	42.7	Very low	57.8	Low	117 Å²	117	77.1 Å²	77.1	61%	0.613	42%	0.418	S	S	*	.			trans	-66.9	-20.6	173.5	-88.1	81.7	0	0	0	113.8	L20	L20-L442 HydrophobicContact CD2-CB 4.03Å
443	N	44.5	Very low	57.7	Low	76 Å²	76	80.4 Å²	80.4	41%	0.406	43%	0.432	S	S	.	.	S	Bend	trans	-93.4	129.8	179.5	-67.2	19.5	0	0	0	110.1	I18 L20 L441 K445	I18-N443 PolarHBondContact O-ND2 2.92Å; L20-N443 WeakPolarHBondContact CD2-OD1 3.33Å; L441-N443 PolarHBondContact O-N 2.98Å; N443-K445 PolarHBondContact O-N 3.2Å
444	P	53.8	Low	58	Low	64 Å²	64	85.3 Å²	85.3	42%	0.416	45%	0.454	S	S	.	.			trans	-65.6	132.1	179.9	27.2	-34.2	0	0	0	111.2	L446 K583	P444-L446 PolarHBondContact O-N 3.4Å; P444-K583 CarbonylContact C-O 3.54Å; P444-K583 VanDerWaalsContact CA-O 3.3Å; P444-K583 WeakPolarHBondContact CA-O 3.45Å; P444-K583 HydrophobicContact CB-CB 4.06Å
445	K	65	Low	58.7	Low	131 Å²	131	82.4 Å²	82.4	57%	0.57	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	102.9	-176.6	-164.7	172.8	-174.3	177.4	0	110.3	N443 K583 F584 Y585	N443-K445 PolarHBondContact O-N 3.2Å; K445-K583 PolarHBondContact N-O 2.89Å; K445-F584 HydrophobicContact CB-CD1 3.93Å; K445-F584 HydrophobicContact CB-CE1 4.37Å; K445-F584 HydrophobicContact CD-CD1 4.4Å; K445-F584 HydrophobicContact CD-CE1 4.25Å; K445-F584 WeakPolarHBondContact O-CA 3.28Å; K445-Y585 PolarHBondContact O-N 3.08Å
446	L	64.9	Low	60	Low	99 Å²	99	78 Å²	78	52%	0.518	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.2	169.7	173.1	65.9	0	0	0	110	P444 Y585 Q587	P444-L446 PolarHBondContact O-N 3.4Å; L446-Y585 HydrophobicContact CD1-CD1 3.53Å; L446-Y585 HydrophobicContact CD1-CE1 3.88Å; L446-Q587 HydrophobicContact CD1-CB 4.13Å
447	I	71.6	Confident	61.8	Low	33 Å²	33	76.3 Å²	76.3	17%	0.169	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	103	174.6	-63	171.9	0	0	0	107.5	V455 L457 F584 Y585 I586 Q587	I447-V455 HydrophobicContact CG2-CG1 4.29Å; I447-V455 HydrophobicContact CG2-CG2 4.11Å; I447-L457 HydrophobicContact CD1-CD2 3.35Å; I447-F584 HydrophobicContact CD1-CD1 4.03Å; I447-Y585 PolarHBondContact N-O 3.02Å; I447-I586 WeakPolarHBondContact O-CA 3.5Å; I447-Q587 PolarHBondContact O-N 3.08Å
448	T	73.2	Confident	63.9	Low	70 Å²	70	76.3 Å²	76.3	43%	0.429	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137	169.6	25.5	0	0	0	0	110.9	Q587 N589	T448-Q587 WeakPolarHBondContact CA-O 3.45Å; T448-Q587 HydrophobicContact CG2-CB 4.09Å; T448-Q587 HydrophobicContact CG2-CG 4.39Å; T448-N589 WeakPolarHBondContact CB-OD1 3.48Å; T448-N589 WeakPolarHBondContact CG2-OD1 3.43Å
449	T	77.4	Confident	65.5	Low	14 Å²	14	71.6 Å²	71.6	9%	0.086	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	176.5	-172.3	-169.6	0	0	0	0	112.1	V455 I546 I586 Q587 L588 N589	T449-V455 HydrophobicContact CG2-CG2 4.47Å; T449-I546 HydrophobicContact CG2-CD1 3.52Å; T449-I546 HydrophobicContact CG2-CG2 4.12Å; T449-I586 HydrophobicContact CG2-CG2 3.95Å; T449-Q587 PolarHBondContact N-O 3.42Å; T449-L588 HydrophobicContact CG2-CD2 4.05Å; T449-L588 CarbonylContact O-C 3.55Å; T449-L588 WeakPolarHBondContact O-CA 3.22Å; T449-N589 PolarHBondContact O-N 3.14Å
450	E	76.4	Confident	66.6	Low	99 Å²	99	73.5 Å²	73.5	46%	0.463	39%	0.392	S	S	.	.			trans	-112.6	152.7	176	-71.4	161.1	-145.9	0	0	110.4	G452 K453	E450-G452 PolarHBondContact O-N 2.63Å; E450-K453 HydrophobicContact CB-CD 4.06Å; E450-K453 HydrophobicContact CB-CG 4.37Å; E450-K453 PolarHBondContact O-N 2.82Å; E450-K453 IonicContact OE1-NZ 2.7Å; E450-K453 PolarHBondContact OE1-NZ 3.11Å; E450-K453 WeakPolarHBondContact OE2-CE 3.09Å; E450-K453 IonicContact OE2-NZ 2.7Å; E450-K453 PolarHBondContact OE2-NZ 2.77Å
451	I	75.6	Confident	67.3	Low	111 Å²	111	69.2 Å²	69.2	57%	0.569	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	137.1	174.5	-60.1	177	0	0	0	109.4	K453 L588	I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.03Å; I451-L588 HydrophobicContact CD1-CD1 4.15Å; I451-L588 HydrophobicContact CG1-CD1 3.82Å; I451-L588 HydrophobicContact CG1-CD2 3.9Å; I451-L588 HydrophobicContact CG1-CG 4.5Å
452	G	71.5	Confident	67.2	Low	40 Å²	40	71.3 Å²	71.3	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-11.5	179.6	0	0	0	0	0	115.5	E450 I546	E450-G452 PolarHBondContact O-N 2.63Å; G452-I546 PolarHBondContact N-O 2.84Å
453	K	78.3	Confident	66.6	Low	98 Å²	98	71.3 Å²	71.3	43%	0.426	38%	0.381	S	S	.	.			trans	-76.6	154.8	174	-72.4	-175.1	-177	164.4	0	112	E450 I451 I546	E450-K453 HydrophobicContact CB-CD 4.06Å; E450-K453 HydrophobicContact CB-CG 4.37Å; E450-K453 PolarHBondContact O-N 2.82Å; E450-K453 IonicContact OE1-NZ 2.7Å; E450-K453 PolarHBondContact OE1-NZ 3.11Å; E450-K453 WeakPolarHBondContact OE2-CE 3.09Å; E450-K453 IonicContact OE2-NZ 2.7Å; E450-K453 PolarHBondContact OE2-NZ 2.77Å; I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.03Å; K453-I546 WeakPolarHBondContact O-CB 3.34Å; K453-I546 WeakPolarHBondContact O-CD1 3.21Å; K453-I546 WeakPolarHBondContact O-CG1 3.27Å; K453-I546 PolarHBondContact O-N 2.76Å
454	Q	82	Confident	65.8	Low	111 Å²	111	73.5 Å²	73.5	52%	0.519	39%	0.393	S	S	.	.			trans	-81.9	137.5	168.6	-177.3	176.3	8.6	0	0	110.1	I543 L544	Q454-I543 VanDerWaalsContact CA-O 3.28Å; Q454-I543 WeakPolarHBondContact CA-O 3.09Å; Q454-I543 WeakPolarHBondContact CG-O 3.2Å; Q454-L544 WeakPolarHBondContact CA-O 3.21Å; Q454-L544 WeakPolarHBondContact CB-O 3.1Å
455	V	82.8	Confident	64.4	Low	16 Å²	16	77.2 Å²	77.2	10%	0.097	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.8	169	153.1	0	0	0	0	110.1	I447 T449 L457 K542 I543 I546 I586	I447-V455 HydrophobicContact CG2-CG1 4.29Å; I447-V455 HydrophobicContact CG2-CG2 4.11Å; T449-V455 HydrophobicContact CG2-CG2 4.47Å; V455-L457 HydrophobicContact CG1-CD2 3.81Å; V455-K542 WeakPolarHBondContact O-CA 3.43Å; V455-I543 PolarHBondContact N-O 3.01Å; V455-I543 PolarHBondContact O-N 3.37Å; V455-I546 HydrophobicContact CB-CD1 3.5Å; V455-I546 VanDerWaalsContact CB-CD1 3.5Å; V455-I546 HydrophobicContact CB-CG1 4.44Å; V455-I546 HydrophobicContact CG2-CD1 3.29Å; V455-I586 HydrophobicContact CG1-CD1 4.17Å
456	T	81.1	Confident	62.6	Low	69 Å²	69	76.9 Å²	76.9	42%	0.423	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.6	174.6	-56	0	0	0	0	109.7	L540 L541 K542	T456-L540 HydrophobicContact CG2-CD1 4.44Å; T456-L540 HydrophobicContact CG2-CD2 3.59Å; T456-L540 HydrophobicContact CG2-CG 3.98Å; T456-L541 CarbonylContact C-O 3.49Å; T456-L541 WeakPolarHBondContact CA-O 3.47Å; T456-K542 HydrophobicContact CG2-CG 3.98Å
457	L	81.1	Confident	60.7	Low	1 Å²	1	78.6 Å²	78.6	1%	0.005	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136	169.1	-46.6	-175.7	0	0	0	108.2	I447 V455 W518 L540 L541 Y554 F584 I586	I447-L457 HydrophobicContact CD1-CD2 3.35Å; V455-L457 HydrophobicContact CG1-CD2 3.81Å; L457-W518 HydrophobicContact CB-CH2 3.52Å; L457-W518 HydrophobicContact CB-CZ2 4.2Å; L457-W518 HydrophobicContact CB-CZ3 4.05Å; L457-W518 HydrophobicContact CD1-CE3 4.32Å; L457-W518 HydrophobicContact CD1-CH2 4.05Å; L457-W518 HydrophobicContact CD1-CZ3 3.66Å; L457-W518 HydrophobicContact CG-CH2 4.44Å; L457-L540 CarbonylContact O-C 3.57Å; L457-L540 WeakPolarHBondContact O-CA 3.34Å; L457-L541 HydrophobicContact CB-CB 4.34Å; L457-L541 HydrophobicContact CD1-CD2 4.17Å; L457-L541 PolarHBondContact N-O 2.76Å; L457-L541 PolarHBondContact O-N 3.04Å; L457-Y554 HydrophobicContact CD1-CD1 4.06Å; L457-Y554 HydrophobicContact CD1-CD2 4.26Å; L457-Y554 HydrophobicContact CD1-CG 3.72Å; L457-F584 HydrophobicContact CB-CD1 4.43Å; L457-F584 HydrophobicContact CB-CD2 4.28Å; L457-F584 HydrophobicContact CB-CE1 4.42Å; L457-F584 HydrophobicContact CB-CE2 4.26Å; L457-F584 HydrophobicContact CB-CG 4.38Å; L457-F584 HydrophobicContact CB-CZ 4.34Å; L457-F584 HydrophobicContact CD1-CB 4.17Å; L457-F584 HydrophobicContact CD1-CD2 4.13Å; L457-F584 HydrophobicContact CD1-CG 4.16Å; L457-F584 HydrophobicContact CD2-CB 4.08Å; L457-F584 HydrophobicContact CD2-CD1 4.03Å; L457-F584 HydrophobicContact CD2-CG 4.01Å; L457-F584 HydrophobicContact CG-CG 4.42Å; L457-I586 HydrophobicContact CD2-CD1 4.29Å
458	N	79.7	Confident	58.5	Low	87 Å²	87	82.5 Å²	82.5	47%	0.465	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.1	-178.8	178	3.6	0	0	0	109.8	N460 L540 F584	N458-N460 PolarHBondContact OD1-N 3.14Å; N458-N460 VanDerWaalsContact OD1-N 3.07Å; N458-L540 HydrophobicContact CB-CD1 4.26Å; N458-L540 HydrophobicContact CB-CG 4.38Å; N458-F584 WeakPolarHBondContact O-CZ 3.44Å
459	C	71.1	Confident	56.1	Low	6 Å²	6	85.9 Å²	85.9	4%	0.041	46%	0.463	C	S	.	.			trans	-125.5	28.2	-175.5	-169.6	0	0	0	0	112.7	W518 G539 Y556 V580 C582	C459-W518 HydrophobicContact CB-CH2 4.48Å; C459-G539 WeakPolarHBondContact CA-O 3.25Å; C459-G539 WeakPolarHBondContact CB-O 3.28Å; C459-G539 PolarHBondContact N-O 3.05Å; C459-Y556 HydrophobicContact CB-CD1 4.02Å; C459-Y556 HydrophobicContact CB-CG 4.3Å; C459-Y556 VanDerWaalsContact SG-CD1 3.59Å; C459-V580 VanDerWaalsContact SG-CG1 3.52Å; C459-V580 PolarHBondContact SG-O 3.34Å; C459-V580 VanDerWaalsContact SG-O 3.34Å; C459-C582 WeakPolarHBondContact CA-SG 3.37Å; C459-C582 HydrophobicContact CB-CB 3.76Å; C459-C582 WeakPolarHBondContact CB-SG 3.5Å; C459-C582 WeakPolarHBondContact SG-CB 3.29Å; C459-C582 CovalentContact SG-SG 2.03Å; C459-C582 PolarHBondContact SG-SG 3.22Å
460	N	59	Low	53.7	Low	82 Å²	82	91.1 Å²	91.1	44%	0.439	49%	0.488	S	S	.	.			trans	-86.8	134.5	174.8	-74.7	-24.8	0	0	0	112.4	N458 N462 D538 G539	N458-N460 PolarHBondContact OD1-N 3.14Å; N458-N460 VanDerWaalsContact OD1-N 3.07Å; N460-N462 PolarHBondContact O-N 3.07Å; N460-D538 PolarHBondContact ND2-O 2.92Å; N460-D538 PolarHBondContact OD1-O 3.03Å; N460-G539 WeakPolarHBondContact OD1-CA 2.9Å
461	N	45.4	Very low	51.2	Low	43 Å²	43	93.1 Å²	93.1	23%	0.23	50%	0.503	C	S	.	.			trans	-83.2	46.3	-161.8	-161.5	14.2	0	0	0	114.6	N463 E577	N461-N463 PolarHBondContact O-N 2.74Å; N461-E577 WeakPolarHBondContact CB-OE1 3.43Å
462	N	34.8	Very low	48.8	Very low	131 Å²	131	96.9 Å²	96.9	70%	0.701	52%	0.518	S	S	*	.			trans	-103	62.1	-171.7	-113.4	-35.8	0	0	0	113.7	N460 N464	N460-N462 PolarHBondContact O-N 3.07Å; N462-N464 VanDerWaalsContact C-N 3.34Å
463	N	30.4	Very low	46.7	Very low	117 Å²	117	100.2 Å²	100.2	63%	0.626	53%	0.525	S	S	*	.			trans	-99.4	44	164.7	-96.9	-17.2	0	0	0	111.6	N461 N465	N461-N463 PolarHBondContact O-N 2.74Å; N463-N465 PolarHBondContact O-N 3.25Å
464	N	27.1	Very low	44.2	Very low	122 Å²	122	101.2 Å²	101.2	65%	0.652	54%	0.541	S	S	*	.			trans	-70.6	67.6	169.8	-94.1	-44.8	0	0	0	111.1	N462 N466	N462-N464 VanDerWaalsContact C-N 3.34Å; N464-N466 PolarHBondContact O-N 3.18Å
465	N	25.2	Very low	41.5	Very low	142 Å²	142	105 Å²	105	76%	0.759	56%	0.556	S	S	*	*			trans	-74.5	46.4	171.4	-85.5	-13.7	0	0	0	112.3	N463 V467	N463-N465 PolarHBondContact O-N 3.25Å; N465-V467 PolarHBondContact O-N 2.86Å
466	N	25.9	Very low	38.7	Very low	124 Å²	124	110 Å²	110	66%	0.663	59%	0.589	S	S	*	*			trans	-70	109.4	152.6	-85.2	-24.8	0	0	0	107	N464 I468	N464-N466 PolarHBondContact O-N 3.18Å; N466-I468 HydrophobicContact CB-CG1 4.25Å; N466-I468 PolarHBondContact O-N 2.81Å
467	V	24.6	Very low	36.1	Very low	135 Å²	135	115.8 Å²	115.8	82%	0.818	61%	0.609	S	S	*	*			trans	-71.5	78	172.8	-177.4	0	0	0	0	108.9	N465	N465-V467 PolarHBondContact O-N 2.86Å
468	I	25.6	Very low	33.5	Very low	114 Å²	114	123.2 Å²	123.2	59%	0.585	65%	0.648	S	S	*	*			trans	-90.4	119	164.6	-55.1	-179.8	0	0	0	106.6	N466 M470	N466-I468 HydrophobicContact CB-CG1 4.25Å; N466-I468 PolarHBondContact O-N 2.81Å; I468-M470 HydrophobicContact CG2-CE 4.3Å; I468-M470 HydrophobicContact CG2-CG 3.96Å; I468-M470 HydrophobicContact CG2-SD 4.48Å; I468-M470 PolarHBondContact O-N 2.93Å
469	N	23.4	Very low	30.9	Very low	141 Å²	141	123.2 Å²	123.2	75%	0.754	65%	0.652	S	S	*	*			trans	-67.4	79.4	171.3	-89.7	-36.9	0	0	0	110.5	N471	N469-N471 PolarHBondContact O-N 2.84Å; N469-N471 VanDerWaalsContact O-N 3.1Å
470	M	26.3	Very low	28.8	Very low	124 Å²	124	126.6 Å²	126.6	61%	0.611	67%	0.673	S	S	*	*			trans	-83.1	53.4	169.3	-76.3	-63.7	-167.1	0	0	111.7	I468 Q472 I473	I468-M470 HydrophobicContact CG2-CE 4.3Å; I468-M470 HydrophobicContact CG2-CG 3.96Å; I468-M470 HydrophobicContact CG2-SD 4.48Å; I468-M470 PolarHBondContact O-N 2.93Å; M470-Q472 PolarHBondContact O-N 2.85Å; M470-I473 HydrophobicContact CE-CD1 3.79Å; M470-I473 HydrophobicContact CG-CD1 4.43Å; M470-I473 HydrophobicContact SD-CD1 3.65Å; M470-I473 HydrophobicContact SD-CG1 3.91Å
471	N	25.1	Very low	27.7	Very low	142 Å²	142	127.7 Å²	127.7	76%	0.759	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	123	151.1	-79.7	-29.3	0	0	0	106.5	N469	N469-N471 PolarHBondContact O-N 2.84Å; N469-N471 VanDerWaalsContact O-N 3.1Å
472	Q	25.4	Very low	27.1	Very low	190 Å²	190	131.3 Å²	131.3	89%	0.888	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.5	62.4	-178.3	-48.2	178.1	1.5	0	0	116.8	M470	M470-Q472 PolarHBondContact O-N 2.85Å
473	I	27	Very low	27	Very low	110 Å²	110	130.5 Å²	130.5	56%	0.564	70%	0.696	S	S	*	*			trans	-115.7	134.5	136.6	-65.8	-178.2	0	0	0	107.5	M470 F475	M470-I473 HydrophobicContact CE-CD1 3.79Å; M470-I473 HydrophobicContact CG-CD1 4.43Å; M470-I473 HydrophobicContact SD-CD1 3.65Å; M470-I473 HydrophobicContact SD-CG1 3.91Å; I473-F475 PolarHBondContact O-N 2.85Å
474	P	24.8	Very low	27.2	Very low	118 Å²	118	134.7 Å²	134.7	77%	0.766	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72	127.8	178.5	-10.5	26	0	0	0	110.5
475	F	25.3	Very low	27.4	Very low	190 Å²	190	135.2 Å²	135.2	83%	0.833	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.6	135.5	162.5	-72.8	-90.4	0	0	0	109.3	I473 K477	I473-F475 PolarHBondContact O-N 2.85Å; F475-K477 PolarHBondContact O-N 2.78Å
476	P	24.8	Very low	27.7	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.2	155.7	27.7	-31.6	0	0	0	106.7
477	K	25.6	Very low	27.8	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-59.8	146.9	178	-70	179.7	178.1	177	0	109	F475	F475-K477 PolarHBondContact O-N 2.78Å
478	L	26.8	Very low	28	Very low	157 Å²	157	139.7 Å²	139.7	82%	0.822	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-52.1	129.9	162.3	-87.7	66.6	0	0	0	107.8	T480	L478-T480 PolarHBondContact O-N 2.77Å
479	P	25.9	Very low	28.1	Very low	86 Å²	86	144.6 Å²	144.6	56%	0.558	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-60.8	131.5	173.1	26	-33	0	0	0	108.4	E483	P479-E483 VanDerWaalsContact CA-OE2 3.23Å; P479-E483 WeakPolarHBondContact CA-OE2 3.39Å; P479-E483 HydrophobicContact CB-CB 4.35Å; P479-E483 WeakPolarHBondContact CB-OE2 3.36Å
480	T	27.5	Very low	28.2	Very low	78 Å²	78	144.8 Å²	144.8	48%	0.479	71%	0.714	S	S	.	*	P	Polyproline II helix	trans	-71.6	157.2	179.3	51.1	0	0	0	0	110.1	L478 D482 E483	L478-T480 PolarHBondContact O-N 2.77Å; T480-D482 PolarHBondContact O-N 3.49Å; T480-E483 PolarHBondContact N-OE2 3.04Å; T480-E483 PolarHBondContact O-N 2.71Å
481	P	34	Very low	28.4	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	72%	0.721	S	S	*	*	H	α-helix	trans	-53	-26.2	-180	-29.6	37.1	0	0	0	114.6	N485	P481-N485 PolarHBondContact O-ND2 3.04Å
482	D	33.7	Very low	28.5	Very low	119 Å²	119	151 Å²	151	64%	0.636	72%	0.724	S	S	*	*	H	α-helix	trans	-73.4	-20.5	177.3	-54.7	-57.3	0	0	0	114.3	T480	T480-D482 PolarHBondContact O-N 3.49Å
483	E	33.3	Very low	28.6	Very low	113 Å²	113	149.6 Å²	149.6	53%	0.528	72%	0.721	S	S	.	*	H	α-helix	trans	-79.4	-30.8	177.7	-66.5	-171.9	132	0	0	112.1	P479 T480 N485 K486	P479-E483 VanDerWaalsContact CA-OE2 3.23Å; P479-E483 WeakPolarHBondContact CA-OE2 3.39Å; P479-E483 HydrophobicContact CB-CB 4.35Å; P479-E483 WeakPolarHBondContact CB-OE2 3.36Å; T480-E483 PolarHBondContact N-OE2 3.04Å; T480-E483 PolarHBondContact O-N 2.71Å; E483-N485 PolarHBondContact O-N 3.17Å; E483-K486 PolarHBondContact O-N 2.75Å; E483-K486 VanDerWaalsContact O-N 3.11Å
484	W	34.6	Very low	28.4	Very low	205 Å²	205	151.2 Å²	151.2	78%	0.777	73%	0.731	S	S	*	*	H	α-helix	trans	-57.3	-34.2	170.2	-111.1	36.7	0	0	0	112	K486 W487	W484-K486 PolarHBondContact O-N 2.71Å; W484-W487 PolarHBondContact O-N 2.97Å
485	N	31	Very low	28.5	Very low	134 Å²	134	154.8 Å²	154.8	72%	0.717	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	3.9	-180	-67.1	-40	0	0	0	114.5	P481 E483	P481-N485 PolarHBondContact O-ND2 3.04Å; E483-N485 PolarHBondContact O-N 3.17Å
486	K	31.6	Very low	28.5	Very low	183 Å²	183	151.1 Å²	151.1	80%	0.796	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-4.2	173	-76.7	-178.1	177.5	172.3	0	114.7	E483 W484 D488	E483-K486 PolarHBondContact O-N 2.75Å; E483-K486 VanDerWaalsContact O-N 3.11Å; W484-K486 PolarHBondContact O-N 2.71Å; K486-D488 PolarHBondContact O-N 2.77Å; K486-D488 VanDerWaalsContact O-N 3.16Å
487	W	27.6	Very low	28.5	Very low	222 Å²	222	153.8 Å²	153.8	84%	0.841	73%	0.734	S	S	*	*	S	Bend	trans	-87.1	77.7	171.9	-81.3	6.6	0	0	0	111.7	W484 Y489	W484-W487 PolarHBondContact O-N 2.97Å; W487-Y489 PolarHBondContact O-N 3.03Å; W487-Y489 VanDerWaalsContact O-N 3.1Å
488	D	29.4	Very low	28.4	Very low	89 Å²	89	154.9 Å²	154.9	48%	0.476	74%	0.735	S	S	.	*			trans	15.9	75.3	164.9	-167.6	11.1	0	0	0	116.5	K486 N490 K491	K486-D488 PolarHBondContact O-N 2.77Å; K486-D488 VanDerWaalsContact O-N 3.16Å; D488-N490 PolarHBondContact O-N 3.18Å; D488-N490 VanDerWaalsContact O-N 3.08Å; D488-N490 PolarHBondContact OD1-N 3.26Å; D488-K491 IonicContact OD2-NZ 3.73Å; D488-K491 PolarHBondContact OD2-NZ 2.86Å
489	Y	26.6	Very low	28.3	Very low	217 Å²	217	155.9 Å²	155.9	85%	0.851	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-68.3	-4.1	178.3	-137.2	-94.8	0	0	0	113.6	W487	W487-Y489 PolarHBondContact O-N 3.03Å; W487-Y489 VanDerWaalsContact O-N 3.1Å
490	N	26.7	Very low	28.2	Very low	146 Å²	146	158.2 Å²	158.2	78%	0.781	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-95.6	14	-175.2	-70.5	-38.7	0	0	0	114.2	D488	D488-N490 PolarHBondContact O-N 3.18Å; D488-N490 VanDerWaalsContact O-N 3.08Å; D488-N490 PolarHBondContact OD1-N 3.26Å
491	K	30.4	Very low	28.2	Very low	174 Å²	174	163.2 Å²	163.2	76%	0.757	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-105.3	21.3	173.6	-102.1	173.2	-168.8	137.4	0	115.6	D488	D488-K491 IonicContact OD2-NZ 3.73Å; D488-K491 PolarHBondContact OD2-NZ 2.86Å
492	R	26.6	Very low	27.8	Very low	222 Å²	222	165.7 Å²	165.7	84%	0.838	75%	0.753	S	S	*	*	S	Bend	trans	-115.9	160.8	156.5	-62.7	-175.4	-177	-170.1	1.8	108.1
493	I	26.8	Very low	27.5	Very low	161 Å²	161	167.5 Å²	167.5	83%	0.826	76%	0.758	S	S	*	*	S	Bend	trans	70.1	58.2	-175.9	-38.3	171.7	0	0	0	114.2
494	N	23.9	Very low	27.2	Very low	143 Å²	143	171.3 Å²	171.3	77%	0.765	77%	0.769	S	S	*	*			trans	172.6	98.3	134.1	-92.9	-34	0	0	0	112
495	H	27	Very low	26.8	Very low	193 Å²	193	170.9 Å²	170.9	89%	0.894	77%	0.772	S	S	*	*			trans	-173.7	66.1	145.5	-94	148.4	0	0	0	111.1	K497	H495-K497 VanDerWaalsContact C-N 3.28Å; H495-K497 PolarHBondContact O-N 3.46Å
496	S	24.2	Very low	26.7	Very low	113 Å²	113	174 Å²	174	79%	0.79	78%	0.779	S	S	*	*			trans	-79.9	67.9	172.4	52.4	0	0	0	0	111.9
497	K	24.9	Very low	26.5	Very low	179 Å²	179	173.4 Å²	173.4	78%	0.778	78%	0.777	S	S	*	*	S	Bend	trans	-173.3	130.8	158.8	-107.4	160.6	-175.6	175.9	0	113.2	H495	H495-K497 VanDerWaalsContact C-N 3.28Å; H495-K497 PolarHBondContact O-N 3.46Å
498	Y	24.1	Very low	26.5	Very low	214 Å²	214	170.4 Å²	170.4	84%	0.839	77%	0.77	S	S	*	*	S	Bend	trans	50.3	89.1	160.9	-69.7	-80.9	0	0	0	120.5
499	Y	24.6	Very low	26.5	Very low	177 Å²	177	172.3 Å²	172.3	69%	0.694	78%	0.779	S	S	*	*				-159.5	46.1	129.9	-138.2	-90.8	0	0	0	115.3	K502	Y499-K502 HydrophobicContact CE1-CB 3.84Å
500	I	24.5	Very low	26.4	Very low	136 Å²	136	168.8 Å²	168.8	70%	0.697	78%	0.775	S	S	*	*			trans	-80.1	-37.4	-170.7	-69	176.6	0	0	0	114	K502	I500-K502 PolarHBondContact O-N 3.01Å
501	E	26.2	Very low	26.4	Very low	182 Å²	182	171 Å²	171	85%	0.85	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-0.2	-164.6	-64.6	-173.4	114.9	0	0	117.2
502	K	25.7	Very low	26.3	Very low	157 Å²	157	165.1 Å²	165.1	68%	0.683	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	1.8	-172.2	-83	-175.8	178.4	176.5	0	117.7	Y499 I500	Y499-K502 HydrophobicContact CE1-CB 3.84Å; I500-K502 PolarHBondContact O-N 3.01Å
503	Q	27.1	Very low	26.5	Very low	158 Å²	158	157.6 Å²	157.6	74%	0.738	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-22.6	168.9	-71.1	-160.4	-12.5	0	0	114.6	K505 K506 K507	Q503-K505 PolarHBondContact O-N 2.9Å; Q503-K505 VanDerWaalsContact O-N 3.1Å; Q503-K506 PolarHBondContact O-N 3.2Å; Q503-K507 PolarHBondContact O-N 2.74Å
504	Y	27.1	Very low	26.9	Very low	192 Å²	192	155.8 Å²	155.8	75%	0.753	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	174.2	-85.8	-87.7	0	0	0	114.4
505	K	27.7	Very low	28.2	Very low	196 Å²	196	149.3 Å²	149.3	85%	0.852	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	0.8	170.3	-75.4	-169.2	174	-176.5	0	115.3	Q503	Q503-K505 PolarHBondContact O-N 2.9Å; Q503-K505 VanDerWaalsContact O-N 3.1Å
506	K	27.1	Very low	29.5	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-7.3	172.3	-83	-162.9	171.8	-169	0	115.2	Q503 K508	Q503-K506 PolarHBondContact O-N 3.2Å; K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 2.8Å
507	K	28.6	Very low	31.4	Very low	171 Å²	171	138.8 Å²	138.8	74%	0.743	62%	0.624	S	S	*	*			trans	-90.3	72.9	149	-76.6	-167.4	175.2	-172	0	109.6	Q503 L509	Q503-K507 PolarHBondContact O-N 2.74Å; K507-L509 PolarHBondContact O-N 2.91Å
508	K	27.7	Very low	33.8	Very low	159 Å²	159	131.1 Å²	131.1	69%	0.691	59%	0.59	S	S	*	*			trans	-59.9	122.1	138.5	-115.7	-161.3	174.8	-160.2	0	103.5	K506 N510	K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 2.8Å; K508-N510 PolarHBondContact O-N 3.14Å; K508-N510 VanDerWaalsContact O-N 3.13Å
509	L	28.1	Very low	36.1	Very low	129 Å²	129	121.1 Å²	121.1	68%	0.675	55%	0.551	S	S	*	*			trans	-60.6	117.1	149.9	-85.1	86.4	0	0	0	104.1	K507 Y511	K507-L509 PolarHBondContact O-N 2.91Å; L509-Y511 HydrophobicContact CB-CD2 4.11Å; L509-Y511 HydrophobicContact CB-CE2 4.18Å; L509-Y511 PolarHBondContact O-N 2.89Å
510	N	24.6	Very low	38.6	Very low	142 Å²	142	114.1 Å²	114.1	76%	0.759	53%	0.525	S	S	*	.			trans	-67.8	90.8	161.3	-79.8	-3.6	0	0	0	105.5	K508 S512	K508-N510 PolarHBondContact O-N 3.14Å; K508-N510 VanDerWaalsContact O-N 3.13Å; N510-S512 PolarHBondContact O-N 3.33Å
511	Y	28.4	Very low	40.9	Very low	192 Å²	192	109.9 Å²	109.9	75%	0.753	50%	0.503	S	S	*	.			trans	-60.7	75.7	153.1	-81.8	-86.5	0	0	0	107	L509	L509-Y511 HydrophobicContact CB-CD2 4.11Å; L509-Y511 HydrophobicContact CB-CE2 4.18Å; L509-Y511 PolarHBondContact O-N 2.89Å
512	S	27.9	Very low	42.7	Very low	52 Å²	52	101.2 Å²	101.2	36%	0.364	46%	0.463	S	S	.	.			trans	-62.5	140	168.9	-161.3	0	0	0	0	107	N510 Y514	N510-S512 PolarHBondContact O-N 3.33Å; S512-Y514 PolarHBondContact O-N 3.35Å; S512-Y514 WeakPolarHBondContact OG-CD2 3.26Å; S512-Y514 WeakPolarHBondContact OG-CE2 3.06Å
513	P	30.4	Very low	44.7	Very low	63 Å²	63	99.3 Å²	99.3	41%	0.409	46%	0.457	S	S	.	.	S	Bend	trans	-69.7	20.6	179.8	29.7	-36.3	0	0	0	113.7	I515 T563	P513-I515 PolarHBondContact O-N 3.45Å; P513-T563 HydrophobicContact CG-CG2 4.05Å
514	Y	35.7	Very low	46.6	Very low	123 Å²	123	93 Å²	93	48%	0.482	43%	0.427	S	S	.	.			trans	-81.5	100.9	174.1	-54	-31.1	0	0	0	109.1	S512 N516	S512-Y514 PolarHBondContact O-N 3.35Å; S512-Y514 WeakPolarHBondContact OG-CD2 3.26Å; S512-Y514 WeakPolarHBondContact OG-CE2 3.06Å; Y514-N516 PolarHBondContact O-N 3.03Å
515	I	49.5	Very low	48.6	Very low	8 Å²	8	85.7 Å²	85.7	4%	0.041	40%	0.4	C	S	.	.			trans	-74	77	171.5	-44.7	-179.9	0	0	0	107.8	P88 L179 P513 Q517 F524 M557 K558 S559	P88-I515 HydrophobicContact CB-CD1 3.62Å; P88-I515 HydrophobicContact CB-CG1 3.74Å; L179-I515 HydrophobicContact CD1-CD1 4.04Å; P513-I515 PolarHBondContact O-N 3.45Å; I515-Q517 HydrophobicContact CG2-CB 4.16Å; I515-Q517 HydrophobicContact CG2-CG 3.97Å; I515-F524 HydrophobicContact CG2-CE1 4.47Å; I515-M557 CarbonylContact O-C 3.59Å; I515-K558 CarbonylContact O-C 3.54Å; I515-K558 WeakPolarHBondContact O-CA 3.48Å; I515-S559 WeakPolarHBondContact CB-OG 3.48Å; I515-S559 WeakPolarHBondContact CG1-OG 3.37Å; I515-S559 PolarHBondContact O-N 3.1Å
516	N	54.8	Low	50	Low	49 Å²	49	81.1 Å²	81.1	26%	0.262	39%	0.389	S	S	.	.			trans	-97.8	76.5	170.8	-71.6	10.5	0	0	0	107.8	Y514 M557 K558	Y514-N516 PolarHBondContact O-N 3.03Å; N516-M557 CarbonylContact C-O 3.57Å; N516-M557 VanDerWaalsContact CA-O 3.29Å; N516-M557 WeakPolarHBondContact CA-O 3.48Å; N516-K558 VanDerWaalsContact OD1-CG 3.23Å; N516-K558 WeakPolarHBondContact OD1-CG 3.41Å
517	Q	65.5	Low	50.9	Low	35 Å²	35	75.1 Å²	75.1	16%	0.164	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.6	-164.6	-63	-176.8	12.9	0	0	112	N89 I515 F524 M557	N89-Q517 VanDerWaalsContact CG-NE2 3.29Å; N89-Q517 PolarHBondContact OD1-NE2 2.97Å; I515-Q517 HydrophobicContact CG2-CB 4.16Å; I515-Q517 HydrophobicContact CG2-CG 3.97Å; Q517-F524 HydrophobicContact CB-CD1 3.82Å; Q517-F524 HydrophobicContact CB-CE1 3.88Å; Q517-M557 PolarHBondContact N-O 2.67Å; Q517-M557 PolarHBondContact O-N 2.7Å
518	W	74.4	Confident	51.5	Low	19 Å²	19	71.4 Å²	71.4	7%	0.072	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130	172.5	-75	91.7	0	0	0	110.3	L457 C459 I525 L541 Q555 Y556 F584	L457-W518 HydrophobicContact CB-CH2 3.52Å; L457-W518 HydrophobicContact CB-CZ2 4.2Å; L457-W518 HydrophobicContact CB-CZ3 4.05Å; L457-W518 HydrophobicContact CD1-CE3 4.32Å; L457-W518 HydrophobicContact CD1-CH2 4.05Å; L457-W518 HydrophobicContact CD1-CZ3 3.66Å; L457-W518 HydrophobicContact CG-CH2 4.44Å; C459-W518 HydrophobicContact CB-CH2 4.48Å; W518-I525 HydrophobicContact CB-CD1 3.77Å; W518-I525 HydrophobicContact CB-CG1 4.29Å; W518-I525 PolarHBondContact O-N 2.92Å; W518-L541 HydrophobicContact CB-CD2 4.47Å; W518-L541 HydrophobicContact CD2-CB 3.93Å; W518-L541 HydrophobicContact CD2-CD2 4.06Å; W518-L541 HydrophobicContact CE3-CB 4.49Å; W518-L541 HydrophobicContact CE3-CD2 4.2Å; W518-L541 HydrophobicContact CG-CB 4.29Å; W518-L541 HydrophobicContact CG-CD2 4.19Å; W518-L541 HydrophobicContact CH2-CB 4.39Å; W518-L541 HydrophobicContact CZ2-CB 3.83Å; W518-Q555 WeakPolarHBondContact CA-O 3.5Å; W518-Y556 AromaticContact CD1-CD2 3.8Å; W518-Y556 AromaticContact CD2-CD2 3.95Å; W518-Y556 HydrophobicContact CD2-CD2 3.95Å; W518-Y556 AromaticContact CE2-CD2 3.61Å; W518-Y556 HydrophobicContact CG-CD2 4.08Å; W518-Y556 HydrophobicContact CZ2-CD2 4.15Å; W518-Y556 HydrophobicContact CZ2-CG 4.3Å; W518-Y556 AromaticContact NE1-CD2 3.48Å; W518-Y556 AromaticContact NE1-CE2 3.87Å; W518-F584 AromaticContact CH2-CD2 3.95Å; W518-F584 HydrophobicContact CH2-CD2 3.95Å; W518-F584 AromaticContact CH2-CE2 3.51Å; W518-F584 HydrophobicContact CH2-CE2 3.51Å; W518-F584 HydrophobicContact CH2-CZ 4.34Å; W518-F584 AromaticContact CZ3-CD2 3.75Å; W518-F584 HydrophobicContact CZ3-CD2 3.75Å; W518-F584 AromaticContact CZ3-CE2 3.77Å; W518-F584 HydrophobicContact CZ3-CE2 3.77Å
519	I	72.2	Confident	52.1	Low	3 Å²	3	71.4 Å²	71.4	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.7	172.2	-68.4	171.1	0	0	0	107.7	Q523 F524 Y554 Q555 M557	I519-Q523 CarbonylContact C-O 3.53Å; I519-Q523 WeakPolarHBondContact CA-O 3.23Å; I519-F524 HydrophobicContact CD1-CD1 4.21Å; I519-F524 HydrophobicContact CD1-CE1 3.75Å; I519-F524 HydrophobicContact CD1-CZ 4.26Å; I519-F524 HydrophobicContact CG1-CD1 3.54Å; I519-F524 HydrophobicContact CG1-CE1 3.59Å; I519-F524 HydrophobicContact CG1-CG 4.34Å; I519-F524 HydrophobicContact CG1-CZ 4.44Å; I519-Y554 CarbonylContact O-C 3.5Å; I519-Y554 WeakPolarHBondContact O-CA 3.18Å; I519-Q555 HydrophobicContact CB-CB 4.41Å; I519-Q555 PolarHBondContact N-O 2.87Å; I519-Q555 PolarHBondContact O-N 3.29Å; I519-M557 HydrophobicContact CD1-CE 4.16Å; I519-M557 HydrophobicContact CD1-CG 4.39Å; I519-M557 HydrophobicContact CD1-SD 3.48Å; I519-M557 WeakPolarHBondContact CD1-SD 3.35Å
520	H	77	Confident	52.6	Low	31 Å²	31	72 Å²	72	14%	0.144	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.6	170.3	175.4	-130.6	0	0	0	108.6	G522 Q523 I525 S549 T551 I553 Y554	H520-G522 PolarHBondContact O-N 2.7Å; H520-Q523 PolarHBondContact N-O 3.12Å; H520-Q523 PolarHBondContact O-N 2.98Å; H520-I525 HydrophobicContact CB-CD1 4.2Å; H520-I525 HydrophobicContact CB-CG1 4.02Å; H520-S549 PolarHBondContact CE1-O 2.79Å; H520-T551 PolarHBondContact NE2-O 2.8Å; H520-T551 VanDerWaalsContact NE2-O 3.14Å; H520-I553 WeakPolarHBondContact CA-O 3.4Å; H520-Y554 HydrophobicContact CB-CD1 3.96Å; H520-Y554 HydrophobicContact CB-CE1 3.72Å; H520-Y554 AromaticContact CD2-CD2 3.76Å; H520-Y554 AromaticContact CD2-CE1 3.62Å; H520-Y554 AromaticContact CD2-CE2 3.31Å; H520-Y554 WeakPolarHBondContact CD2-CE2 3.43Å; H520-Y554 AromaticContact CD2-CZ 3.23Å; H520-Y554 AromaticContact CG-CE1 3.7Å; H520-Y554 AromaticContact CG-CZ 3.68Å; H520-Y554 AromaticContact NE2-CE2 3.63Å; H520-Y554 AromaticContact NE2-CZ 3.6Å; H520-Y554 PolarHBondContact NE2-OH 3.43Å
521	N	73.1	Confident	53.3	Low	46 Å²	46	72.7 Å²	72.7	25%	0.246	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	35.5	179.5	-67.3	-33.1	0	0	0	114.8	G173 T174 T551 G552 I553	G173-N521 WeakPolarHBondContact CA-OD1 3.49Å; T174-N521 VanDerWaalsContact CB-C 3.42Å; T174-N521 WeakPolarHBondContact CB-O 3.4Å; T174-N521 PolarHBondContact OG1-O 2.72Å; N521-T551 PolarHBondContact ND2-O 2.8Å; N521-G552 WeakPolarHBondContact OD1-CA 3.29Å; N521-I553 PolarHBondContact N-O 3Å; N521-I553 PolarHBondContact OD1-N 3.3Å
522	G	64.3	Low	54.5	Low	1 Å²	1	65.9 Å²	65.9	1%	0.01	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	1.9	177.6	0	0	0	0	0	116	I91 H520	I91-G522 WeakPolarHBondContact CD1-O 3.47Å; H520-G522 PolarHBondContact O-N 2.7Å
523	Q	66.8	Low	56	Low	117 Å²	117	65.6 Å²	65.6	55%	0.547	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150	173	-67.9	178.2	-21.6	0	0	110.8	I519 H520	I519-Q523 CarbonylContact C-O 3.53Å; I519-Q523 WeakPolarHBondContact CA-O 3.23Å; H520-Q523 PolarHBondContact N-O 3.12Å; H520-Q523 PolarHBondContact O-N 2.98Å
524	F	66.8	Low	57.6	Low	24 Å²	24	64.3 Å²	64.3	11%	0.105	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.8	173.8	-70.1	-71.1	0	0	0	111.3	I83 P88 N89 I91 I515 Q517 I519 T526	I83-F524 HydrophobicContact CD1-CE2 3.76Å; I83-F524 HydrophobicContact CD1-CZ 3.7Å; P88-F524 VanDerWaalsContact O-CE2 3.32Å; P88-F524 WeakPolarHBondContact O-CE2 3.46Å; P88-F524 WeakPolarHBondContact O-CZ 3.32Å; N89-F524 VanDerWaalsContact C-CD2 3.42Å; N89-F524 WeakPolarHBondContact O-CD2 3.46Å; I91-F524 HydrophobicContact CD1-CD2 4.16Å; I91-F524 HydrophobicContact CD1-CE2 4.01Å; I91-F524 HydrophobicContact CG1-CD2 4.2Å; I91-F524 HydrophobicContact CG1-CE2 3.79Å; I515-F524 HydrophobicContact CG2-CE1 4.47Å; Q517-F524 HydrophobicContact CB-CD1 3.82Å; Q517-F524 HydrophobicContact CB-CE1 3.88Å; I519-F524 HydrophobicContact CD1-CD1 4.21Å; I519-F524 HydrophobicContact CD1-CE1 3.75Å; I519-F524 HydrophobicContact CD1-CZ 4.26Å; I519-F524 HydrophobicContact CG1-CD1 3.54Å; I519-F524 HydrophobicContact CG1-CE1 3.59Å; I519-F524 HydrophobicContact CG1-CG 4.34Å; I519-F524 HydrophobicContact CG1-CZ 4.44Å; F524-T526 PolarHBondContact O-N 2.95Å
525	I	69.8	Low	59	Low	40 Å²	40	63.5 Å²	63.5	21%	0.205	33%	0.327	C	S	.	.			trans	-75.3	106.5	172.8	-54.9	179	0	0	0	108.5	W518 H520 Y534 L541 Y554	W518-I525 HydrophobicContact CB-CD1 3.77Å; W518-I525 HydrophobicContact CB-CG1 4.29Å; W518-I525 PolarHBondContact O-N 2.92Å; H520-I525 HydrophobicContact CB-CD1 4.2Å; H520-I525 HydrophobicContact CB-CG1 4.02Å; I525-Y534 HydrophobicContact CG2-CD2 4.25Å; I525-Y534 HydrophobicContact CG2-CE2 4.5Å; I525-Y534 HydrophobicContact CG2-CG 4.3Å; I525-L541 HydrophobicContact CD1-CD2 3.73Å; I525-Y554 HydrophobicContact CD1-CD1 4.04Å; I525-Y554 HydrophobicContact CD1-CE1 3.8Å
526	T	56.5	Low	59.8	Low	100 Å²	100	69.2 Å²	69.2	61%	0.613	35%	0.352	S	S	*	.			trans	-79.2	156	170.7	48.8	0	0	0	0	111	F524	F524-T526 PolarHBondContact O-N 2.95Å
527	M	46	Very low	60	Low	73 Å²	73	72.3 Å²	72.3	36%	0.36	37%	0.365	S	S	.	.			trans	-120.7	110.4	175.5	-73	-77.6	-66.9	0	0	108.6	N532 F536	M527-N532 WeakPolarHBondContact CA-ND2 3.27Å; M527-N532 HydrophobicContact CE-CB 4.15Å; M527-N532 WeakPolarHBondContact CE-ND2 3.3Å; M527-N532 HydrophobicContact SD-CB 3.95Å; M527-N532 PolarHBondContact SD-ND2 2.93Å; M527-N532 VanDerWaalsContact SD-ND2 3.36Å; M527-F536 HydrophobicContact CE-CD1 4.11Å; M527-F536 HydrophobicContact CE-CE1 3.88Å; M527-F536 HydrophobicContact CG-CD1 4.14Å; M527-F536 HydrophobicContact CG-CE1 3.8Å; M527-F536 HydrophobicContact SD-CD1 4.14Å; M527-F536 HydrophobicContact SD-CE1 4.2Å
528	N	42.4	Very low	59.7	Low	94 Å²	94	76.3 Å²	76.3	50%	0.503	39%	0.387	S	S	.	.			trans	-90.2	118.8	166.6	-70.1	6.1	0	0	0	107.5	D530 N532	N528-D530 PolarHBondContact O-N 2.98Å; N528-N532 PolarHBondContact N-ND2 3.11Å; N528-N532 VanDerWaalsContact N-ND2 3.18Å; N528-N532 PolarHBondContact N-OD1 3.42Å; N528-N532 VanDerWaalsContact O-CG 3.27Å; N528-N532 PolarHBondContact O-ND2 3.47Å; N528-N532 PolarHBondContact O-OD1 2.91Å
529	D	39.2	Very low	59.1	Low	158 Å²	158	75.5 Å²	75.5	85%	0.845	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.1	-157.1	-79.7	-43.5	0	0	0	116.4
530	D	38.6	Very low	59.1	Low	143 Å²	143	77 Å²	77	77%	0.765	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-9.3	-168.1	-70.3	-47.7	0	0	0	117.3	N528	N528-D530 PolarHBondContact O-N 2.98Å
531	N	39.9	Very low	59.1	Low	156 Å²	156	75.7 Å²	75.7	83%	0.834	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.5	13	-167.2	-108	-41.8	0	0	0	118.8
532	N	53.4	Low	59.3	Low	48 Å²	48	76.3 Å²	76.3	26%	0.257	39%	0.387	S	S	.	.			trans	-76.6	134	-168.1	-56.4	-43.5	0	0	0	114.9	M527 N528 Y534	M527-N532 WeakPolarHBondContact CA-ND2 3.27Å; M527-N532 HydrophobicContact CE-CB 4.15Å; M527-N532 WeakPolarHBondContact CE-ND2 3.3Å; M527-N532 HydrophobicContact SD-CB 3.95Å; M527-N532 PolarHBondContact SD-ND2 2.93Å; M527-N532 VanDerWaalsContact SD-ND2 3.36Å; N528-N532 PolarHBondContact N-ND2 3.11Å; N528-N532 VanDerWaalsContact N-ND2 3.18Å; N528-N532 PolarHBondContact N-OD1 3.42Å; N528-N532 VanDerWaalsContact O-CG 3.27Å; N528-N532 PolarHBondContact O-ND2 3.47Å; N528-N532 PolarHBondContact O-OD1 2.91Å; N532-Y534 PolarHBondContact O-N 3.12Å
533	N	60.6	Low	60.1	Low	46 Å²	46	76.2 Å²	76.2	25%	0.246	39%	0.386	C	S	.	.	S	Bend	trans	-67	6.2	163.6	-93.7	-38	0	0	0	113.8	I543 L544	N533-I543 CarbonylContact O-C 3.59Å; N533-L544 PolarHBondContact O-N 3.18Å
534	Y	63	Low	60.5	Low	36 Å²	36	74.4 Å²	74.4	14%	0.141	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	-169.3	-61.7	-75.9	0	0	0	111.7	I525 N532 L541 K542 I543 H550	I525-Y534 HydrophobicContact CG2-CD2 4.25Å; I525-Y534 HydrophobicContact CG2-CE2 4.5Å; I525-Y534 HydrophobicContact CG2-CG 4.3Å; N532-Y534 PolarHBondContact O-N 3.12Å; Y534-L541 HydrophobicContact CD1-CD1 4.23Å; Y534-K542 WeakPolarHBondContact CA-O 3.47Å; Y534-I543 HydrophobicContact CD1-CG1 4.02Å; Y534-I543 HydrophobicContact CE1-CD1 4.21Å; Y534-I543 HydrophobicContact CE1-CG1 3.9Å; Y534-I543 HydrophobicContact CE1-CG2 4.21Å; Y534-H550 AromaticContact CZ-NE2 3.98Å; Y534-H550 PolarHBondContact OH-CD2 3.16Å; Y534-H550 PolarHBondContact OH-NE2 3.46Å
535	H	64.8	Low	60.9	Low	107 Å²	107	78 Å²	78	50%	0.495	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.9	173	-137	-64.1	0	0	0	109.1	K542	H535-K542 HydrophobicContact CB-CB 4.05Å; H535-K542 PolarHBondContact N-O 3.48Å; H535-K542 PolarHBondContact O-N 2.96Å
536	F	66.5	Low	61.2	Low	127 Å²	127	76.1 Å²	76.1	56%	0.557	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.8	-179.1	67.6	-84.1	0	0	0	111.5	M527 L540	M527-F536 HydrophobicContact CE-CD1 4.11Å; M527-F536 HydrophobicContact CE-CE1 3.88Å; M527-F536 HydrophobicContact CG-CD1 4.14Å; M527-F536 HydrophobicContact CG-CE1 3.8Å; M527-F536 HydrophobicContact SD-CD1 4.14Å; M527-F536 HydrophobicContact SD-CE1 4.2Å; F536-L540 WeakPolarHBondContact CA-O 3.25Å
537	E	58.6	Low	62.1	Low	114 Å²	114	74.5 Å²	74.5	53%	0.533	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.5	166.7	-66.9	172.9	111.9	0	0	105.6	G539 L540 K542	E537-G539 PolarHBondContact O-N 2.77Å; E537-G539 VanDerWaalsContact O-N 3.16Å; E537-L540 PolarHBondContact N-O 3.43Å; E537-L540 VanDerWaalsContact N-O 3.12Å; E537-L540 WeakPolarHBondContact O-CA 3.42Å; E537-L540 PolarHBondContact O-N 3.24Å; E537-K542 IonicContact OE2-NZ 2.74Å; E537-K542 PolarHBondContact OE2-NZ 3.1Å
538	D	59.3	Low	63.2	Low	120 Å²	120	75.5 Å²	75.5	64%	0.642	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	122.8	-168	-79.2	-69.5	0	0	0	114.3	N460 L540	N460-D538 PolarHBondContact ND2-O 2.92Å; N460-D538 PolarHBondContact OD1-O 3.03Å; D538-L540 PolarHBondContact O-N 3.41Å
539	G	63.4	Low	64.4	Low	1 Å²	1	74.4 Å²	74.4	1%	0.01	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	5.3	-176.6	0	0	0	0	0	116.4	C459 N460 E537 Y556	C459-G539 WeakPolarHBondContact CA-O 3.25Å; C459-G539 WeakPolarHBondContact CB-O 3.28Å; C459-G539 PolarHBondContact N-O 3.05Å; N460-G539 WeakPolarHBondContact OD1-CA 2.9Å; E537-G539 PolarHBondContact O-N 2.77Å; E537-G539 VanDerWaalsContact O-N 3.16Å; G539-Y556 PolarHBondContact N-OH 2.93Å
540	L	70.2	Confident	66.2	Low	35 Å²	35	67.5 Å²	67.5	18%	0.183	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.7	-166.4	-164.7	151.6	0	0	0	112.2	T456 L457 N458 F536 E537 D538 K542	T456-L540 HydrophobicContact CG2-CD1 4.44Å; T456-L540 HydrophobicContact CG2-CD2 3.59Å; T456-L540 HydrophobicContact CG2-CG 3.98Å; L457-L540 CarbonylContact O-C 3.57Å; L457-L540 WeakPolarHBondContact O-CA 3.34Å; N458-L540 HydrophobicContact CB-CD1 4.26Å; N458-L540 HydrophobicContact CB-CG 4.38Å; F536-L540 WeakPolarHBondContact CA-O 3.25Å; E537-L540 PolarHBondContact N-O 3.43Å; E537-L540 VanDerWaalsContact N-O 3.12Å; E537-L540 WeakPolarHBondContact O-CA 3.42Å; E537-L540 PolarHBondContact O-N 3.24Å; D538-L540 PolarHBondContact O-N 3.41Å; L540-K542 HydrophobicContact CD2-CD 4.21Å; L540-K542 HydrophobicContact CD2-CG 3.94Å
541	L	78.7	Confident	67.8	Low	4 Å²	4	62.2 Å²	62.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.5	179.5	-177.5	69.7	0	0	0	110.5	T456 L457 W518 I525 Y534 I543 Y554	T456-L541 CarbonylContact C-O 3.49Å; T456-L541 WeakPolarHBondContact CA-O 3.47Å; L457-L541 HydrophobicContact CB-CB 4.34Å; L457-L541 HydrophobicContact CD1-CD2 4.17Å; L457-L541 PolarHBondContact N-O 2.76Å; L457-L541 PolarHBondContact O-N 3.04Å; W518-L541 HydrophobicContact CB-CD2 4.47Å; W518-L541 HydrophobicContact CD2-CB 3.93Å; W518-L541 HydrophobicContact CD2-CD2 4.06Å; W518-L541 HydrophobicContact CE3-CB 4.49Å; W518-L541 HydrophobicContact CE3-CD2 4.2Å; W518-L541 HydrophobicContact CG-CB 4.29Å; W518-L541 HydrophobicContact CG-CD2 4.19Å; W518-L541 HydrophobicContact CH2-CB 4.39Å; W518-L541 HydrophobicContact CZ2-CB 3.83Å; I525-L541 HydrophobicContact CD1-CD2 3.73Å; Y534-L541 HydrophobicContact CD1-CD1 4.23Å; L541-I543 HydrophobicContact CD2-CG1 4.43Å; L541-I543 HydrophobicContact CG-CG1 4.47Å; L541-Y554 HydrophobicContact CD2-CD1 3.85Å; L541-Y554 HydrophobicContact CD2-CE1 3.96Å
542	K	76	Confident	69.3	Low	58 Å²	58	55 Å²	55	25%	0.252	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.9	169.7	-69.9	158.8	-176.8	155.7	0	108.8	V455 T456 Y534 H535 E537 L540	V455-K542 WeakPolarHBondContact O-CA 3.43Å; T456-K542 HydrophobicContact CG2-CG 3.98Å; Y534-K542 WeakPolarHBondContact CA-O 3.47Å; H535-K542 HydrophobicContact CB-CB 4.05Å; H535-K542 PolarHBondContact N-O 3.48Å; H535-K542 PolarHBondContact O-N 2.96Å; E537-K542 IonicContact OE2-NZ 2.74Å; E537-K542 PolarHBondContact OE2-NZ 3.1Å; L540-K542 HydrophobicContact CD2-CD 4.21Å; L540-K542 HydrophobicContact CD2-CG 3.94Å
543	I	81	Confident	70.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.3	167	-51.5	-179.9	0	0	0	105.9	Q454 V455 N533 Y534 L541 K545 I546 Y554 I586	Q454-I543 VanDerWaalsContact CA-O 3.28Å; Q454-I543 WeakPolarHBondContact CA-O 3.09Å; Q454-I543 WeakPolarHBondContact CG-O 3.2Å; V455-I543 PolarHBondContact N-O 3.01Å; V455-I543 PolarHBondContact O-N 3.37Å; N533-I543 CarbonylContact O-C 3.59Å; Y534-I543 HydrophobicContact CD1-CG1 4.02Å; Y534-I543 HydrophobicContact CE1-CD1 4.21Å; Y534-I543 HydrophobicContact CE1-CG1 3.9Å; Y534-I543 HydrophobicContact CE1-CG2 4.21Å; L541-I543 HydrophobicContact CD2-CG1 4.43Å; L541-I543 HydrophobicContact CG-CG1 4.47Å; I543-K545 VanDerWaalsContact C-N 3.35Å; I543-K545 PolarHBondContact O-N 3.13Å; I543-I546 HydrophobicContact CB-CG1 4.46Å; I543-I546 HydrophobicContact CG2-CG1 3.99Å; I543-Y554 HydrophobicContact CD1-CE1 4.15Å; I543-Y554 HydrophobicContact CD1-CE2 4.29Å; I543-I586 HydrophobicContact CD1-CD1 3.7Å
544	L	75.8	Confident	71	Confident	78 Å²	78	51.4 Å²	51.4	41%	0.408	25%	0.253	S	S	.	.	S	Bend	trans	-63.4	-39.9	-171.8	-66.9	173.3	0	0	0	112.4	Q454 N533	Q454-L544 WeakPolarHBondContact CA-O 3.21Å; Q454-L544 WeakPolarHBondContact CB-O 3.1Å; N533-L544 PolarHBondContact O-N 3.18Å
545	K	74.5	Confident	71.5	Confident	100 Å²	100	49.8 Å²	49.8	44%	0.435	25%	0.247	S	C	.	.	S	Bend	trans	-141.3	118.8	179.8	-172.5	-171.7	171.9	-139.7	0	108.7	I543 E547 H550	I543-K545 VanDerWaalsContact C-N 3.35Å; I543-K545 PolarHBondContact O-N 3.13Å; K545-E547 IonicContact NZ-OE1 3.28Å; K545-E547 PolarHBondContact NZ-OE1 2.81Å; K545-H550 PolarHBondContact O-CE1 3.43Å; K545-H550 VanDerWaalsContact O-CE1 3.25Å; K545-H550 PolarHBondContact O-ND1 3.32Å; K545-H550 VanDerWaalsContact O-ND1 3.13Å
546	I	76.3	Confident	71.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.			trans	-80	129.5	178.3	-73.9	158.6	0	0	0	110.7	T449 G452 K453 V455 I543 L588	T449-I546 HydrophobicContact CG2-CD1 3.52Å; T449-I546 HydrophobicContact CG2-CG2 4.12Å; G452-I546 PolarHBondContact N-O 2.84Å; K453-I546 WeakPolarHBondContact O-CB 3.34Å; K453-I546 WeakPolarHBondContact O-CD1 3.21Å; K453-I546 WeakPolarHBondContact O-CG1 3.27Å; K453-I546 PolarHBondContact O-N 2.76Å; V455-I546 HydrophobicContact CB-CD1 3.5Å; V455-I546 VanDerWaalsContact CB-CD1 3.5Å; V455-I546 HydrophobicContact CB-CG1 4.44Å; V455-I546 HydrophobicContact CG2-CD1 3.29Å; I543-I546 HydrophobicContact CB-CG1 4.46Å; I543-I546 HydrophobicContact CG2-CG1 3.99Å; I546-L588 HydrophobicContact CG2-CD2 3.96Å
547	E	76.6	Confident	71.6	Confident	66 Å²	66	39.7 Å²	39.7	31%	0.308	20%	0.201	S	C	.	.			trans	-123.2	166.2	174.7	-60.8	-171.2	170.9	0	0	108.7	K545 S549 H550	K545-E547 IonicContact NZ-OE1 3.28Å; K545-E547 PolarHBondContact NZ-OE1 2.81Å; E547-S549 PolarHBondContact O-N 2.94Å; E547-S549 VanDerWaalsContact O-N 3.1Å; E547-H550 PolarHBondContact N-ND1 2.86Å; E547-H550 WeakPolarHBondContact O-CB 3.38Å; E547-H550 PolarHBondContact O-N 2.72Å
548	Q	69	Low	71.6	Confident	95 Å²	95	36.2 Å²	36.2	44%	0.444	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.6	-174.1	-129.6	-164.1	14.5	0	0	113.4	T551 L588 K603	Q548-T551 PolarHBondContact O-OG1 2.99Å; Q548-T551 VanDerWaalsContact O-OG1 3.07Å; Q548-L588 HydrophobicContact CB-CD1 4.48Å; Q548-L588 HydrophobicContact CG-CD1 3.55Å; Q548-K603 WeakPolarHBondContact O-CE 3.28Å; Q548-K603 PolarHBondContact O-NZ 3.33Å
549	S	66.8	Low	71.2	Confident	70 Å²	70	31.5 Å²	31.5	49%	0.49	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.1	166.6	46	0	0	0	0	112.8	H520 E547 T551	H520-S549 PolarHBondContact CE1-O 2.79Å; E547-S549 PolarHBondContact O-N 2.94Å; E547-S549 VanDerWaalsContact O-N 3.1Å; S549-T551 PolarHBondContact O-N 3.22Å
550	H	77.1	Confident	70.1	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.06	18%	0.176	C	C	.	.	S	Bend	trans	-81.4	8.9	-175	-51.7	163.5	0	0	0	113.2	Y534 K545 E547 Y554	Y534-H550 AromaticContact CZ-NE2 3.98Å; Y534-H550 PolarHBondContact OH-CD2 3.16Å; Y534-H550 PolarHBondContact OH-NE2 3.46Å; K545-H550 PolarHBondContact O-CE1 3.43Å; K545-H550 VanDerWaalsContact O-CE1 3.25Å; K545-H550 PolarHBondContact O-ND1 3.32Å; K545-H550 VanDerWaalsContact O-ND1 3.13Å; E547-H550 PolarHBondContact N-ND1 2.86Å; E547-H550 WeakPolarHBondContact O-CB 3.38Å; E547-H550 PolarHBondContact O-N 2.72Å; H550-Y554 WeakPolarHBondContact O-CE2 3.31Å; H550-Y554 PolarHBondContact O-OH 3.25Å
551	T	72.8	Confident	68.6	Low	33 Å²	33	35.6 Å²	35.6	20%	0.202	18%	0.181	C	C	.	.			trans	-77.9	148.8	171.5	55.7	0	0	0	0	111.2	H520 N521 Q548 S549 I586 L588	H520-T551 PolarHBondContact NE2-O 2.8Å; H520-T551 VanDerWaalsContact NE2-O 3.14Å; N521-T551 PolarHBondContact ND2-O 2.8Å; Q548-T551 PolarHBondContact O-OG1 2.99Å; Q548-T551 VanDerWaalsContact O-OG1 3.07Å; S549-T551 PolarHBondContact O-N 3.22Å; T551-I586 WeakPolarHBondContact CA-O 3.39Å; T551-L588 HydrophobicContact CG2-CD1 3.85Å; T551-L588 HydrophobicContact CG2-CG 3.9Å
552	G	72.1	Confident	66.3	Low	4 Å²	4	42.2 Å²	42.2	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.7	-159.4	175.3	0	0	0	0	0	113.8	Y172 N521 Y585 I586	Y172-G552 WeakPolarHBondContact O-CA 3.48Å; N521-G552 WeakPolarHBondContact OD1-CA 3.29Å; G552-Y585 WeakPolarHBondContact O-CA 3.42Å; G552-Y585 WeakPolarHBondContact O-CD2 3.37Å; G552-I586 PolarHBondContact N-O 3.17Å; G552-I586 PolarHBondContact O-N 3.09Å
553	I	71.7	Confident	63.8	Low	19 Å²	19	43.4 Å²	43.4	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.1	-169.6	-55	177.9	0	0	0	109.6	V175 H520 N521 Q555 F584 Y585	V175-I553 HydrophobicContact CG2-CD1 3.51Å; H520-I553 WeakPolarHBondContact CA-O 3.4Å; N521-I553 PolarHBondContact N-O 3Å; N521-I553 PolarHBondContact OD1-N 3.3Å; I553-Q555 HydrophobicContact CG2-CG 4.26Å; I553-F584 WeakPolarHBondContact CA-O 3.38Å; I553-Y585 HydrophobicContact CG1-CD2 4.05Å
554	Y	77.5	Confident	61	Low	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.6	171.5	-71.7	-97.8	0	0	0	109.5	L457 I519 H520 I525 L541 I543 H550 K583 F584 I586	L457-Y554 HydrophobicContact CD1-CD1 4.06Å; L457-Y554 HydrophobicContact CD1-CD2 4.26Å; L457-Y554 HydrophobicContact CD1-CG 3.72Å; I519-Y554 CarbonylContact O-C 3.5Å; I519-Y554 WeakPolarHBondContact O-CA 3.18Å; H520-Y554 HydrophobicContact CB-CD1 3.96Å; H520-Y554 HydrophobicContact CB-CE1 3.72Å; H520-Y554 AromaticContact CD2-CD2 3.76Å; H520-Y554 AromaticContact CD2-CE1 3.62Å; H520-Y554 AromaticContact CD2-CE2 3.31Å; H520-Y554 WeakPolarHBondContact CD2-CE2 3.43Å; H520-Y554 AromaticContact CD2-CZ 3.23Å; H520-Y554 AromaticContact CG-CE1 3.7Å; H520-Y554 AromaticContact CG-CZ 3.68Å; H520-Y554 AromaticContact NE2-CE2 3.63Å; H520-Y554 AromaticContact NE2-CZ 3.6Å; H520-Y554 PolarHBondContact NE2-OH 3.43Å; I525-Y554 HydrophobicContact CD1-CD1 4.04Å; I525-Y554 HydrophobicContact CD1-CE1 3.8Å; L541-Y554 HydrophobicContact CD2-CD1 3.85Å; L541-Y554 HydrophobicContact CD2-CE1 3.96Å; I543-Y554 HydrophobicContact CD1-CE1 4.15Å; I543-Y554 HydrophobicContact CD1-CE2 4.29Å; H550-Y554 WeakPolarHBondContact O-CE2 3.31Å; H550-Y554 PolarHBondContact O-OH 3.25Å; Y554-K583 WeakPolarHBondContact O-CA 3.23Å; Y554-F584 PolarHBondContact N-O 3.02Å; Y554-F584 PolarHBondContact O-N 3.18Å; Y554-I586 HydrophobicContact CD2-CD1 3.8Å; Y554-I586 HydrophobicContact CD2-CG1 3.94Å; Y554-I586 HydrophobicContact CE2-CB 4.41Å; Y554-I586 HydrophobicContact CE2-CD1 3.51Å; Y554-I586 HydrophobicContact CE2-CG1 3.96Å
555	Q	72.4	Confident	58.5	Low	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.8	174.9	-68.3	-176.9	-123	0	0	109.6	V175 S176 W518 I519 I553 N581 C582 K583	V175-Q555 VanDerWaalsContact CA-OE1 3.31Å; S176-Q555 PolarHBondContact O-NE2 3.09Å; S176-Q555 VanDerWaalsContact O-NE2 3.17Å; S176-Q555 VanDerWaalsContact OG-CD 3.3Å; S176-Q555 PolarHBondContact OG-NE2 2.82Å; S176-Q555 PolarHBondContact OG-OE1 3.09Å; W518-Q555 WeakPolarHBondContact CA-O 3.5Å; I519-Q555 HydrophobicContact CB-CB 4.41Å; I519-Q555 PolarHBondContact N-O 2.87Å; I519-Q555 PolarHBondContact O-N 3.29Å; I553-Q555 HydrophobicContact CG2-CG 4.26Å; Q555-N581 PolarHBondContact NE2-OD1 3.33Å; Q555-C582 WeakPolarHBondContact CA-O 3.17Å; Q555-K583 HydrophobicContact CG-CD 4.13Å; Q555-K583 HydrophobicContact CG-CG 4.06Å; Q555-K583 VanDerWaalsContact NE2-NZ 3.1Å
556	Y	72.6	Confident	56.1	Low	10 Å²	10	52.9 Å²	52.9	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.3	165.9	-175.7	-119.5	0	0	0	108.6	C459 W518 G539 K558 N581 C582	C459-Y556 HydrophobicContact CB-CD1 4.02Å; C459-Y556 HydrophobicContact CB-CG 4.3Å; C459-Y556 VanDerWaalsContact SG-CD1 3.59Å; W518-Y556 AromaticContact CD1-CD2 3.8Å; W518-Y556 AromaticContact CD2-CD2 3.95Å; W518-Y556 HydrophobicContact CD2-CD2 3.95Å; W518-Y556 AromaticContact CE2-CD2 3.61Å; W518-Y556 HydrophobicContact CG-CD2 4.08Å; W518-Y556 HydrophobicContact CZ2-CD2 4.15Å; W518-Y556 HydrophobicContact CZ2-CG 4.3Å; W518-Y556 AromaticContact NE1-CD2 3.48Å; W518-Y556 AromaticContact NE1-CE2 3.87Å; G539-Y556 PolarHBondContact N-OH 2.93Å; Y556-K558 HydrophobicContact CE1-CB 3.96Å; Y556-K558 HydrophobicContact CE1-CG 4.34Å; Y556-N581 VanDerWaalsContact O-CA 3.32Å; Y556-N581 WeakPolarHBondContact O-CA 3.21Å; Y556-C582 PolarHBondContact N-O 2.8Å
557	M	61.5	Low	53.6	Low	12 Å²	12	59.8 Å²	59.8	6%	0.059	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.1	167.1	-92.6	172.9	36.2	0	0	108.9	L179 I515 N516 Q517 I519	L179-M557 HydrophobicContact CD1-CE 3.59Å; L179-M557 HydrophobicContact CD2-CE 4.14Å; L179-M557 HydrophobicContact CG-CE 3.63Å; I515-M557 CarbonylContact O-C 3.59Å; N516-M557 CarbonylContact C-O 3.57Å; N516-M557 VanDerWaalsContact CA-O 3.29Å; N516-M557 WeakPolarHBondContact CA-O 3.48Å; Q517-M557 PolarHBondContact N-O 2.67Å; Q517-M557 PolarHBondContact O-N 2.7Å; I519-M557 HydrophobicContact CD1-CE 4.16Å; I519-M557 HydrophobicContact CD1-CG 4.39Å; I519-M557 HydrophobicContact CD1-SD 3.48Å; I519-M557 WeakPolarHBondContact CD1-SD 3.35Å
558	K	59	Low	51.1	Low	41 Å²	41	63.6 Å²	63.6	18%	0.178	34%	0.337	C	S	.	.			trans	-117.8	122.3	169.4	-157.5	-169.2	-172.7	-170.7	0	107.4	I515 N516 Y556 E577	I515-K558 CarbonylContact O-C 3.54Å; I515-K558 WeakPolarHBondContact O-CA 3.48Å; N516-K558 VanDerWaalsContact OD1-CG 3.23Å; N516-K558 WeakPolarHBondContact OD1-CG 3.41Å; Y556-K558 HydrophobicContact CE1-CB 3.96Å; Y556-K558 HydrophobicContact CE1-CG 4.34Å; K558-E577 IonicContact NZ-OE2 3.11Å; K558-E577 PolarHBondContact NZ-OE2 2.99Å
559	S	50	Low	48.9	Very low	21 Å²	21	66.2 Å²	66.2	15%	0.147	35%	0.354	C	S	.	.			trans	-124.3	107.4	179.2	100.2	0	0	0	0	112.6	I515 Q561	I515-S559 WeakPolarHBondContact CB-OG 3.48Å; I515-S559 WeakPolarHBondContact CG1-OG 3.37Å; I515-S559 PolarHBondContact O-N 3.1Å; S559-Q561 PolarHBondContact O-N 2.69Å
560	N	40.4	Very low	46.9	Very low	60 Å²	60	68.9 Å²	68.9	32%	0.321	37%	0.367	S	S	.	.			trans	-86.4	92.7	174.5	-53.2	-10.1	0	0	0	108.8	E577	N560-E577 PolarHBondContact ND2-O 3.09Å
561	Q	38.8	Very low	44.3	Very low	63 Å²	63	73.9 Å²	73.9	29%	0.294	39%	0.394	S	S	.	.			trans	-111.4	105.9	166.5	-102.2	-170.1	-10.6	0	0	110.9	D181 S559 T563	D181-Q561 VanDerWaalsContact CG-NE2 3.33Å; D181-Q561 PolarHBondContact OD1-NE2 3.5Å; D181-Q561 VanDerWaalsContact OD1-NE2 3.09Å; D181-Q561 PolarHBondContact OD2-NE2 2.88Å; S559-Q561 PolarHBondContact O-N 2.69Å; Q561-T563 PolarHBondContact O-N 2.8Å
562	Y	29.8	Very low	42	Very low	143 Å²	143	80.6 Å²	80.6	56%	0.561	42%	0.424	S	S	*	.			trans	-62.1	113.6	167.5	-100.5	-117.3	0	0	0	110	K268 N564	K268-Y562 HydrophobicContact CD-CE1 4.34Å; K268-Y562 HydrophobicContact CD-CE2 4.26Å; K268-Y562 VanDerWaalsContact CE-CZ 3.45Å; K268-Y562 VanDerWaalsContact NZ-CE2 3.27Å; K268-Y562 PolarHBondContact NZ-OH 3.17Å; K268-Y562 VanDerWaalsContact NZ-OH 3.14Å; Y562-N564 PolarHBondContact O-N 3.24Å
563	T	23.2	Very low	39.8	Very low	83 Å²	83	87 Å²	87	51%	0.509	46%	0.457	S	S	.	.			trans	-73.5	111.6	159.1	51.3	0	0	0	0	108.2	P513 Q561 S565	P513-T563 HydrophobicContact CG-CG2 4.05Å; Q561-T563 PolarHBondContact O-N 2.8Å; T563-S565 VanDerWaalsContact C-N 3.31Å; T563-S565 PolarHBondContact O-N 3.32Å
564	N	23.9	Very low	37.5	Very low	143 Å²	143	93.7 Å²	93.7	77%	0.765	49%	0.488	S	S	*	.			trans	-64.6	94.8	169.1	-76.7	-15	0	0	0	109.4	Y562 K804	Y562-N564 PolarHBondContact O-N 3.24Å; N564-K804 PolarHBondContact O-NZ 2.75Å
565	S	23	Very low	35.1	Very low	75 Å²	75	103.9 Å²	103.9	52%	0.524	53%	0.528	S	S	.	.			trans	-89.6	141.5	149.1	-61.4	0	0	0	0	107.3	T563 K804	T563-S565 VanDerWaalsContact C-N 3.31Å; T563-S565 PolarHBondContact O-N 3.32Å; S565-K804 PolarHBondContact OG-NZ 3Å
566	M	23.6	Very low	33	Very low	158 Å²	158	106.2 Å²	106.2	78%	0.778	54%	0.54	S	S	*	.			trans	-64.9	154.9	158.7	-101.1	58.9	178.9	0	0	109.2
567	D	24.2	Very low	30.9	Very low	145 Å²	145	109 Å²	109	78%	0.775	55%	0.554	S	S	*	*			trans	59.1	98.6	160.6	-43.8	-30.1	0	0	0	116.8
568	D	24.2	Very low	29.5	Very low	147 Å²	147	111.3 Å²	111.3	79%	0.786	56%	0.564	S	S	*	*				-163	172	90.4	-133.4	-34.9	0	0	0	113.1	T570	D568-T570 PolarHBondContact O-N 3.32Å
569	N	22.8	Very low	28.6	Very low	150 Å²	150	111.4 Å²	111.4	80%	0.802	57%	0.57	S	S	*	*			trans	-91	91.7	-171.6	-68.5	-85.6	0	0	0	114.3
570	T	24	Very low	28.3	Very low	125 Å²	125	111.2 Å²	111.2	77%	0.767	57%	0.568	S	S	*	*			trans	-133	100.8	162.9	48.8	0	0	0	0	112.2	D568 E572	D568-T570 PolarHBondContact O-N 3.32Å; T570-E572 VanDerWaalsContact C-N 3.33Å; T570-E572 PolarHBondContact O-N 2.85Å; T570-E572 VanDerWaalsContact O-N 3.1Å
571	N	23.7	Very low	28.9	Very low	118 Å²	118	109.5 Å²	109.5	63%	0.631	56%	0.559	S	S	*	*			trans	-81	73.9	172.1	-85.5	24.8	0	0	0	111.3	N341	N341-N571 PolarHBondContact ND2-ND2 2.93Å; N341-N571 VanDerWaalsContact ND2-ND2 3.2Å
572	E	24.5	Very low	29.9	Very low	175 Å²	175	106.8 Å²	106.8	82%	0.818	55%	0.547	S	S	*	.			trans	-93.1	116.2	157.1	-66.1	-164.5	146.9	0	0	108.3	T570 E574	T570-E572 VanDerWaalsContact C-N 3.33Å; T570-E572 PolarHBondContact O-N 2.85Å; T570-E572 VanDerWaalsContact O-N 3.1Å; E572-E574 PolarHBondContact O-N 2.88Å
573	N	24	Very low	31.7	Very low	137 Å²	137	103 Å²	103	73%	0.733	53%	0.533	S	S	*	.			trans	-78.2	64	179.3	-72.2	-39.1	0	0	0	110	Y575	N573-Y575 PolarHBondContact O-N 2.88Å
574	E	23.8	Very low	33.9	Very low	161 Å²	161	99.3 Å²	99.3	75%	0.752	51%	0.51	S	S	*	.			trans	-70.6	124.8	174.2	-165.3	167.3	-136.3	0	0	109.4	E572 D576	E572-E574 PolarHBondContact O-N 2.88Å; E574-D576 PolarHBondContact O-N 3.11Å
575	Y	27.4	Very low	36.2	Very low	213 Å²	213	94.7 Å²	94.7	84%	0.835	48%	0.482	S	S	*	.			trans	-70.3	120.1	-178.3	-74.6	-104.3	0	0	0	109.1	N573 E577	N573-Y575 PolarHBondContact O-N 2.88Å; Y575-E577 VanDerWaalsContact C-N 3.3Å; Y575-E577 PolarHBondContact O-N 2.93Å
576	D	28.3	Very low	38.5	Very low	51 Å²	51	91.1 Å²	91.1	27%	0.273	46%	0.457	S	S	.	.			trans	-63.9	90.6	170.9	-67.1	-66.9	0	0	0	109.5	K268 E574	K268-D576 WeakPolarHBondContact CE-OD1 3.12Å; K268-D576 WeakPolarHBondContact CE-OD2 3.17Å; K268-D576 IonicContact NZ-OD1 2.74Å; K268-D576 PolarHBondContact NZ-OD1 3.31Å; K268-D576 IonicContact NZ-OD2 2.9Å; K268-D576 PolarHBondContact NZ-OD2 2.84Å; E574-D576 PolarHBondContact O-N 3.11Å
577	E	28.8	Very low	40.8	Very low	68 Å²	68	87.4 Å²	87.4	32%	0.318	44%	0.438	S	S	.	.			trans	-58.8	141.7	171.8	-73.6	-166.4	129.9	0	0	110.2	N461 K558 N560 Y575	N461-E577 WeakPolarHBondContact CB-OE1 3.43Å; K558-E577 IonicContact NZ-OE2 3.11Å; K558-E577 PolarHBondContact NZ-OE2 2.99Å; N560-E577 PolarHBondContact ND2-O 3.09Å; Y575-E577 VanDerWaalsContact C-N 3.3Å; Y575-E577 PolarHBondContact O-N 2.93Å
578	E	32.4	Very low	43.1	Very low	60 Å²	60	81.2 Å²	81.2	28%	0.28	41%	0.405	S	S	.	.			trans	-51.6	159.6	173	-56.3	-174.1	153.6	0	0	111.6	T439 V580	T439-E578 WeakPolarHBondContact CB-OE2 3.38Å; T439-E578 WeakPolarHBondContact CG2-OE2 3.43Å; T439-E578 PolarHBondContact OG1-OE2 3.04Å; E578-V580 WeakPolarHBondContact O-CG2 3.05Å; E578-V580 PolarHBondContact O-N 2.93Å
579	S	40.7	Very low	44.9	Very low	44 Å²	44	77.9 Å²	77.9	31%	0.308	39%	0.387	S	S	.	.			trans	-71.3	79.8	171.7	49.4	0	0	0	0	110.4	N581	S579-N581 VanDerWaalsContact C-N 3.29Å; S579-N581 PolarHBondContact O-N 3.12Å
580	V	42.8	Very low	46	Very low	17 Å²	17	77.8 Å²	77.8	10%	0.103	39%	0.386	C	S	.	.			trans	-65.7	80.3	-170.2	-159	0	0	0	0	111.6	C459 E578 C582	C459-V580 VanDerWaalsContact SG-CG1 3.52Å; C459-V580 PolarHBondContact SG-O 3.34Å; C459-V580 VanDerWaalsContact SG-O 3.34Å; E578-V580 WeakPolarHBondContact O-CG2 3.05Å; E578-V580 PolarHBondContact O-N 2.93Å; V580-C582 PolarHBondContact O-N 2.84Å
581	N	52.6	Low	46.6	Very low	24 Å²	24	80.1 Å²	80.1	13%	0.128	39%	0.389	C	S	.	.			trans	-83.4	59.7	-177.1	-162.8	-11	0	0	0	111.2	H178 Q555 Y556 S579 K583	H178-N581 PolarHBondContact CD2-ND2 2.91Å; H178-N581 VanDerWaalsContact CE1-CB 3.47Å; H178-N581 WeakPolarHBondContact CE1-CB 3.28Å; H178-N581 PolarHBondContact CE1-ND2 2.96Å; H178-N581 VanDerWaalsContact CE1-ND2 3.31Å; H178-N581 PolarHBondContact NE2-ND2 3.44Å; Q555-N581 PolarHBondContact NE2-OD1 3.33Å; Y556-N581 VanDerWaalsContact O-CA 3.32Å; Y556-N581 WeakPolarHBondContact O-CA 3.21Å; S579-N581 VanDerWaalsContact C-N 3.29Å; S579-N581 PolarHBondContact O-N 3.12Å; N581-K583 WeakPolarHBondContact O-CG 3.35Å; N581-K583 PolarHBondContact O-N 3.23Å
582	C	60.9	Low	46.9	Very low	5 Å²	5	83.8 Å²	83.8	3%	0.034	40%	0.399	C	S	.	.			trans	-59.4	130.8	176.8	-59.3	0	0	0	0	110	C459 Q555 Y556 V580 F584	C459-C582 WeakPolarHBondContact CA-SG 3.37Å; C459-C582 HydrophobicContact CB-CB 3.76Å; C459-C582 WeakPolarHBondContact CB-SG 3.5Å; C459-C582 WeakPolarHBondContact SG-CB 3.29Å; C459-C582 CovalentContact SG-SG 2.03Å; C459-C582 PolarHBondContact SG-SG 3.22Å; Q555-C582 WeakPolarHBondContact CA-O 3.17Å; Y556-C582 PolarHBondContact N-O 2.8Å; V580-C582 PolarHBondContact O-N 2.84Å; C582-F584 HydrophobicContact CB-CD2 4.29Å; C582-F584 HydrophobicContact CB-CE2 3.39Å; C582-F584 HydrophobicContact CB-CZ 3.79Å
583	K	66.2	Low	47.1	Very low	64 Å²	64	85.5 Å²	85.5	28%	0.278	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.5	175.9	-48.3	-154.8	179.9	-157.6	0	109.8	V175 S176 P444 K445 Y554 Q555 N581	V175-K583 HydrophobicContact CG1-CD 4.49Å; S176-K583 PolarHBondContact O-NZ 2.77Å; P444-K583 CarbonylContact C-O 3.54Å; P444-K583 VanDerWaalsContact CA-O 3.3Å; P444-K583 WeakPolarHBondContact CA-O 3.45Å; P444-K583 HydrophobicContact CB-CB 4.06Å; K445-K583 PolarHBondContact N-O 2.89Å; Y554-K583 WeakPolarHBondContact O-CA 3.23Å; Q555-K583 HydrophobicContact CG-CD 4.13Å; Q555-K583 HydrophobicContact CG-CG 4.06Å; Q555-K583 VanDerWaalsContact NE2-NZ 3.1Å; N581-K583 WeakPolarHBondContact O-CG 3.35Å; N581-K583 PolarHBondContact O-N 3.23Å
584	F	70.8	Confident	47.3	Very low	5 Å²	5	84.9 Å²	84.9	2%	0.022	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.7	174.7	-52.7	-96.1	0	0	0	108.5	K445 I447 L457 N458 W518 I553 Y554 C582	K445-F584 HydrophobicContact CB-CD1 3.93Å; K445-F584 HydrophobicContact CB-CE1 4.37Å; K445-F584 HydrophobicContact CD-CD1 4.4Å; K445-F584 HydrophobicContact CD-CE1 4.25Å; K445-F584 WeakPolarHBondContact O-CA 3.28Å; I447-F584 HydrophobicContact CD1-CD1 4.03Å; L457-F584 HydrophobicContact CB-CD1 4.43Å; L457-F584 HydrophobicContact CB-CD2 4.28Å; L457-F584 HydrophobicContact CB-CE1 4.42Å; L457-F584 HydrophobicContact CB-CE2 4.26Å; L457-F584 HydrophobicContact CB-CG 4.38Å; L457-F584 HydrophobicContact CB-CZ 4.34Å; L457-F584 HydrophobicContact CD1-CB 4.17Å; L457-F584 HydrophobicContact CD1-CD2 4.13Å; L457-F584 HydrophobicContact CD1-CG 4.16Å; L457-F584 HydrophobicContact CD2-CB 4.08Å; L457-F584 HydrophobicContact CD2-CD1 4.03Å; L457-F584 HydrophobicContact CD2-CG 4.01Å; L457-F584 HydrophobicContact CG-CG 4.42Å; N458-F584 WeakPolarHBondContact O-CZ 3.44Å; W518-F584 AromaticContact CH2-CD2 3.95Å; W518-F584 HydrophobicContact CH2-CD2 3.95Å; W518-F584 AromaticContact CH2-CE2 3.51Å; W518-F584 HydrophobicContact CH2-CE2 3.51Å; W518-F584 HydrophobicContact CH2-CZ 4.34Å; W518-F584 AromaticContact CZ3-CD2 3.75Å; W518-F584 HydrophobicContact CZ3-CD2 3.75Å; W518-F584 AromaticContact CZ3-CE2 3.77Å; W518-F584 HydrophobicContact CZ3-CE2 3.77Å; I553-F584 WeakPolarHBondContact CA-O 3.38Å; Y554-F584 PolarHBondContact N-O 3.02Å; Y554-F584 PolarHBondContact O-N 3.18Å; C582-F584 HydrophobicContact CB-CD2 4.29Å; C582-F584 HydrophobicContact CB-CE2 3.39Å; C582-F584 HydrophobicContact CB-CZ 3.79Å
585	Y	70.6	Confident	47.4	Very low	47 Å²	47	84.9 Å²	84.9	18%	0.184	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	174.4	172	-119.3	0	0	0	109.2	Y172 K445 L446 I447 G552 I553 Q587	Y172-Y585 HydrophobicContact CD1-CE1 4.26Å; Y172-Y585 HydrophobicContact CD1-CE2 4.44Å; Y172-Y585 AromaticContact CD1-CZ 3.85Å; Y172-Y585 WeakPolarHBondContact O-CE2 3.48Å; K445-Y585 PolarHBondContact O-N 3.08Å; L446-Y585 HydrophobicContact CD1-CD1 3.53Å; L446-Y585 HydrophobicContact CD1-CE1 3.88Å; I447-Y585 PolarHBondContact N-O 3.02Å; G552-Y585 WeakPolarHBondContact O-CA 3.42Å; G552-Y585 WeakPolarHBondContact O-CD2 3.37Å; I553-Y585 HydrophobicContact CG1-CD2 4.05Å; Y585-Q587 HydrophobicContact CE1-CB 3.89Å; Y585-Q587 HydrophobicContact CE1-CG 4.49Å
586	I	72.1	Confident	47.3	Very low	0 Å²	0	82 Å²	82	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.8	-179.3	-56.4	-172.9	0	0	0	109.7	I447 T449 V455 L457 I543 T551 G552 Y554	I447-I586 WeakPolarHBondContact O-CA 3.5Å; T449-I586 HydrophobicContact CG2-CG2 3.95Å; V455-I586 HydrophobicContact CG1-CD1 4.17Å; L457-I586 HydrophobicContact CD2-CD1 4.29Å; I543-I586 HydrophobicContact CD1-CD1 3.7Å; T551-I586 WeakPolarHBondContact CA-O 3.39Å; G552-I586 PolarHBondContact N-O 3.17Å; G552-I586 PolarHBondContact O-N 3.09Å; Y554-I586 HydrophobicContact CD2-CD1 3.8Å; Y554-I586 HydrophobicContact CD2-CG1 3.94Å; Y554-I586 HydrophobicContact CE2-CB 4.41Å; Y554-I586 HydrophobicContact CE2-CD1 3.51Å; Y554-I586 HydrophobicContact CE2-CG1 3.96Å
587	Q	72.8	Confident	47.2	Very low	79 Å²	79	88.6 Å²	88.6	37%	0.369	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.3	177	-173.3	175.7	-8.7	0	0	109.9	L446 I447 T448 T449 Y585	L446-Q587 HydrophobicContact CD1-CB 4.13Å; I447-Q587 PolarHBondContact O-N 3.08Å; T448-Q587 WeakPolarHBondContact CA-O 3.45Å; T448-Q587 HydrophobicContact CG2-CB 4.09Å; T448-Q587 HydrophobicContact CG2-CG 4.39Å; T449-Q587 PolarHBondContact N-O 3.42Å; Y585-Q587 HydrophobicContact CE1-CB 3.89Å; Y585-Q587 HydrophobicContact CE1-CG 4.49Å
588	L	72.3	Confident	47.1	Very low	15 Å²	15	91.1 Å²	91.1	8%	0.079	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148	175.3	-67.3	169.3	0	0	0	111.4	T449 I451 I546 Q548 T551	T449-L588 HydrophobicContact CG2-CD2 4.05Å; T449-L588 CarbonylContact O-C 3.55Å; T449-L588 WeakPolarHBondContact O-CA 3.22Å; I451-L588 HydrophobicContact CD1-CD1 4.15Å; I451-L588 HydrophobicContact CG1-CD1 3.82Å; I451-L588 HydrophobicContact CG1-CD2 3.9Å; I451-L588 HydrophobicContact CG1-CG 4.5Å; I546-L588 HydrophobicContact CG2-CD2 3.96Å; Q548-L588 HydrophobicContact CB-CD1 4.48Å; Q548-L588 HydrophobicContact CG-CD1 3.55Å; T551-L588 HydrophobicContact CG2-CD1 3.85Å; T551-L588 HydrophobicContact CG2-CG 3.9Å
589	N	61	Low	46.9	Very low	78 Å²	78	95.5 Å²	95.5	42%	0.417	48%	0.479	S	S	.	.			trans	-88.1	102.6	176	-95.8	13.2	0	0	0	111.5	T448 T449 E591	T448-N589 WeakPolarHBondContact CB-OD1 3.48Å; T448-N589 WeakPolarHBondContact CG2-OD1 3.43Å; T449-N589 PolarHBondContact O-N 3.14Å; N589-E591 VanDerWaalsContact C-N 3.32Å; N589-E591 PolarHBondContact O-N 2.73Å; N589-E591 VanDerWaalsContact O-N 3.1Å
590	D	46.1	Very low	46.5	Very low	147 Å²	147	102.2 Å²	102.2	79%	0.786	51%	0.505	S	S	*	.			trans	-85.4	60.6	179.8	-63.1	-43.1	0	0	0	112.8
591	E	36.1	Very low	46.2	Very low	174 Å²	174	110.3 Å²	110.3	81%	0.813	54%	0.542	S	S	*	.			trans	-115	12.7	179.7	-73.4	-161.8	144.9	0	0	115	N589	N589-E591 VanDerWaalsContact C-N 3.32Å; N589-E591 PolarHBondContact O-N 2.73Å; N589-E591 VanDerWaalsContact O-N 3.1Å
592	K	31.6	Very low	46	Very low	195 Å²	195	112.7 Å²	112.7	85%	0.848	55%	0.554	S	S	*	*	S	Bend	trans	-136.2	28.6	-178.9	-80.5	-164.5	176.2	178	0	117.3
593	F	28.6	Very low	45.5	Very low	211 Å²	211	117.4 Å²	117.4	93%	0.925	57%	0.574	S	S	*	*			trans	-123.3	89.7	166.2	-82.7	-80.2	0	0	0	112
594	V	27.2	Very low	45	Very low	125 Å²	125	116.4 Å²	116.4	76%	0.758	57%	0.573	S	S	*	*			trans	-103.9	121.3	168.2	171	0	0	0	0	108
595	H	26.2	Very low	44.3	Very low	160 Å²	160	119.5 Å²	119.5	74%	0.741	59%	0.589	S	S	*	*			trans	53.7	103	176.6	-62.2	-60.6	0	0	0	118.1
596	N	24.8	Very low	43.5	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	61%	0.606	S	S	*	*				-155.8	139.2	100.7	-99.4	-13.6	0	0	0	111.2	T598	N596-T598 PolarHBondContact O-N 2.95Å
597	E	27.5	Very low	42.8	Very low	189 Å²	189	124.7 Å²	124.7	88%	0.883	61%	0.614	S	S	*	*			trans	-90.6	84.6	179.1	-67.9	178.4	114.9	0	0	111.4
598	T	25.2	Very low	41.9	Very low	121 Å²	121	126.1 Å²	126.1	74%	0.742	62%	0.62	S	S	*	*	S	Bend	trans	-153.8	136.7	159.2	43.5	0	0	0	0	109.5	N596	N596-T598 PolarHBondContact O-N 2.95Å
599	D	29.3	Very low	40.9	Very low	152 Å²	152	126.5 Å²	126.5	81%	0.813	62%	0.623	S	S	*	*			trans	49.5	84.1	170.5	-63.4	-12.2	0	0	0	117	Q601	D599-Q601 PolarHBondContact O-N 2.86Å
600	Q	32.8	Very low	40.3	Very low	186 Å²	186	124.7 Å²	124.7	87%	0.869	62%	0.617	S	S	*	*			trans	-60.7	102.8	157.2	-75.9	-174.1	-16.9	0	0	109.6	L602	Q600-L602 PolarHBondContact O-N 2.9Å
601	Q	36.6	Very low	40.6	Very low	187 Å²	187	121.1 Å²	121.1	87%	0.874	60%	0.595	S	S	*	*			trans	-66.4	96.8	174.5	-71.2	-170.2	-11.8	0	0	110.4	D599 K603	D599-Q601 PolarHBondContact O-N 2.86Å; Q601-K603 PolarHBondContact O-N 3.07Å; Q601-K603 VanDerWaalsContact O-N 3.12Å
602	L	48.1	Very low	40.8	Very low	73 Å²	73	115.6 Å²	115.6	38%	0.382	59%	0.585	S	S	.	*			trans	-57.2	114.5	175.9	-79.6	144.2	0	0	0	110.5	Q600 T604 E711 R713	Q600-L602 PolarHBondContact O-N 2.9Å; L602-T604 PolarHBondContact O-N 3.11Å; L602-E711 HydrophobicContact CD1-CG 3.86Å; L602-E711 HydrophobicContact CD2-CG 3.98Å; L602-E711 HydrophobicContact CG-CG 4.44Å; L602-R713 HydrophobicContact CB-CG 4.37Å
603	K	49.7	Very low	41.2	Very low	105 Å²	105	110.1 Å²	110.1	46%	0.457	57%	0.565	S	S	.	*			trans	-65.6	115.1	-166.5	-167.5	-179.3	-177.3	-173.6	0	111.8	Q548 Q601	Q548-K603 WeakPolarHBondContact O-CE 3.28Å; Q548-K603 PolarHBondContact O-NZ 3.33Å; Q601-K603 PolarHBondContact O-N 3.07Å; Q601-K603 VanDerWaalsContact O-N 3.12Å
604	T	55.1	Low	42.1	Very low	42 Å²	42	103.4 Å²	103.4	26%	0.258	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.1	179.5	-46	0	0	0	0	111.7	L602 R713 Q715	L602-T604 PolarHBondContact O-N 3.11Å; T604-R713 HydrophobicContact CG2-CB 4.29Å; T604-Q715 HydrophobicContact CG2-CB 3.7Å
605	I	56.9	Low	42.9	Very low	70 Å²	70	97.6 Å²	97.6	36%	0.359	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.2	176.1	-60.9	171.9	0	0	0	109.1	Q712 R713 F714 Q715	I605-Q712 HydrophobicContact CD1-CG 3.9Å; I605-R713 PolarHBondContact N-O 2.92Å; I605-F714 HydrophobicContact CB-CD1 3.79Å; I605-F714 HydrophobicContact CB-CE1 4.23Å; I605-F714 HydrophobicContact CD1-CD1 4.31Å; I605-F714 HydrophobicContact CD1-CE1 3.9Å; I605-F714 HydrophobicContact CD1-CZ 4.49Å; I605-F714 HydrophobicContact CG2-CD1 4.03Å; I605-F714 HydrophobicContact CG2-CE1 4.32Å; I605-F714 CarbonylContact O-C 3.55Å; I605-F714 WeakPolarHBondContact O-CA 3.17Å; I605-Q715 PolarHBondContact O-N 3.2Å
606	F	53.5	Low	44.2	Very low	124 Å²	124	92 Å²	92	54%	0.544	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.2	179.6	-65.1	-103.5	0	0	0	110.1	Q715 I717	F606-Q715 WeakPolarHBondContact CA-O 3.36Å; F606-Q715 HydrophobicContact CD1-CB 3.72Å; F606-Q715 HydrophobicContact CD1-CG 3.66Å; F606-Q715 HydrophobicContact CE1-CB 3.87Å; F606-Q715 HydrophobicContact CE1-CG 3.68Å; F606-Q715 HydrophobicContact CG-CB 4.25Å; F606-I717 HydrophobicContact CD1-CD1 4Å
607	E	57.2	Low	45.7	Very low	32 Å²	32	84.8 Å²	84.8	15%	0.15	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.9	163.8	-91.8	-161.6	171.8	0	0	109.1	H616 L617 Q715 L716 I717	E607-H616 PolarHBondContact OE2-N 3.43Å; E607-L617 HydrophobicContact CB-CD2 3.88Å; E607-L617 VanDerWaalsContact CD-CD2 3.49Å; E607-L617 HydrophobicContact CG-CD2 3.67Å; E607-L617 PolarHBondContact OE1-N 2.94Å; E607-L617 WeakPolarHBondContact OE2-CD2 3.42Å; E607-L617 WeakPolarHBondContact OE2-CG 3.49Å; E607-L617 PolarHBondContact OE2-N 3.47Å; E607-Q715 PolarHBondContact N-O 3.03Å; E607-L716 HydrophobicContact CB-CD1 4.04Å; E607-I717 PolarHBondContact O-N 2.91Å
608	H	54.5	Low	47.2	Very low	109 Å²	109	78.1 Å²	78.1	51%	0.505	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.3	168.6	-73.3	-119	0	0	0	109.3	I717 E719	H608-I717 WeakPolarHBondContact CA-O 3.4Å; H608-E719 IonicContact CE1-OE1 2.73Å; H608-E719 IonicContact CG-OE1 2.72Å; H608-E719 IonicContact ND1-OE1 2.94Å; H608-E719 PolarHBondContact ND1-OE1 2.86Å
609	T	51.1	Low	48.9	Very low	24 Å²	24	72.6 Å²	72.6	15%	0.147	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164.1	171.3	68.8	0	0	0	0	109.9	L716 I717 I718 E719	T609-L716 HydrophobicContact CG2-CD1 4.35Å; T609-I717 PolarHBondContact N-O 2.93Å; T609-I718 CarbonylContact O-C 3.53Å; T609-I718 WeakPolarHBondContact O-CA 3.36Å; T609-E719 PolarHBondContact O-N 2.8Å
610	S	49.1	Very low	50.4	Low	40 Å²	40	66.6 Å²	66.6	28%	0.28	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.2	167.8	68.3	0	0	0	0	110.3	G612 L613	S610-G612 PolarHBondContact O-N 2.88Å; S610-L613 PolarHBondContact O-N 2.76Å; S610-L613 VanDerWaalsContact O-N 3.11Å; S610-L613 WeakPolarHBondContact OG-CD1 3.39Å
611	E	51.2	Low	51.6	Low	71 Å²	71	58.2 Å²	58.2	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.9	179.5	-166.8	165.7	-135	0	0	111.5	K689 I690 I718	E611-K689 VanDerWaalsContact OE1-CA 3.31Å; E611-K689 WeakPolarHBondContact OE1-CA 3.49Å; E611-I690 HydrophobicContact CG-CG1 4.49Å; E611-I690 WeakPolarHBondContact OE1-CG1 3.16Å; E611-I690 PolarHBondContact OE1-N 3.16Å; E611-I690 VanDerWaalsContact OE2-CD1 3.28Å; E611-I690 WeakPolarHBondContact OE2-CD1 3.37Å; E611-I718 HydrophobicContact CB-CG2 3.88Å; E611-I718 HydrophobicContact CG-CG2 4.45Å
612	G	41.5	Very low	52.2	Low	58 Å²	58	50.8 Å²	50.8	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-11.1	-175.5	0	0	0	0	0	116.9	S610	S610-G612 PolarHBondContact O-N 2.88Å
613	L	39.7	Very low	52.4	Low	81 Å²	81	49.2 Å²	49.2	42%	0.424	27%	0.272	S	S	.	.	S	Bend	trans	-95.4	154.4	171.2	-66.3	-175.9	0	0	0	112.4	M90 S610 G615	M90-L613 HydrophobicContact CE-CD1 3.66Å; S610-L613 PolarHBondContact O-N 2.76Å; S610-L613 VanDerWaalsContact O-N 3.11Å; S610-L613 WeakPolarHBondContact OG-CD1 3.39Å; L613-G615 PolarHBondContact O-N 2.64Å
614	T	46.4	Very low	52.6	Low	69 Å²	69	44.9 Å²	44.9	42%	0.423	25%	0.253	S	S	.	.			trans	-85.7	109.7	-179.5	57.7	0	0	0	0	111.9	N686	T614-N686 WeakPolarHBondContact CG2-ND2 3.47Å
615	G	45.1	Very low	52.4	Low	4 Å²	4	45.4 Å²	45.4	4%	0.041	25%	0.254	C	S	.	.			trans	-66.2	167.5	163.4	0	0	0	0	0	112.8	L613 V685	L613-G615 PolarHBondContact O-N 2.64Å; G615-V685 CarbonylContact C-O 3.53Å
616	H	52.6	Low	51.7	Low	43 Å²	43	48.5 Å²	48.5	20%	0.199	27%	0.271	C	S	.	.			trans	-150.3	55.2	-172.5	-78.5	-34.7	0	0	0	113.2	E607 N618	E607-H616 PolarHBondContact OE2-N 3.43Å; H616-N618 VanDerWaalsContact O-CG 3.32Å; H616-N618 PolarHBondContact O-N 3.48Å; H616-N618 PolarHBondContact O-ND2 3.07Å
617	L	56.8	Low	51.1	Low	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.276	C	S	.	.			trans	-52.8	93.1	177.7	-67	178.3	0	0	0	113.9	E607 C619 W646 S683 V685 Y696 F714	E607-L617 HydrophobicContact CB-CD2 3.88Å; E607-L617 VanDerWaalsContact CD-CD2 3.49Å; E607-L617 HydrophobicContact CG-CD2 3.67Å; E607-L617 PolarHBondContact OE1-N 2.94Å; E607-L617 WeakPolarHBondContact OE2-CD2 3.42Å; E607-L617 WeakPolarHBondContact OE2-CG 3.49Å; E607-L617 PolarHBondContact OE2-N 3.47Å; L617-C619 PolarHBondContact O-N 2.89Å; L617-W646 HydrophobicContact CB-CH2 4.05Å; L617-W646 HydrophobicContact CB-CZ3 4.5Å; L617-S683 VanDerWaalsContact O-O 3.13Å; L617-V685 HydrophobicContact CB-CB 4.01Å; L617-V685 HydrophobicContact CB-CG2 3.85Å; L617-V685 HydrophobicContact CD1-CB 3.9Å; L617-V685 HydrophobicContact CD1-CG1 4Å; L617-V685 HydrophobicContact CD1-CG2 3.88Å; L617-V685 HydrophobicContact CG-CB 4.16Å; L617-V685 HydrophobicContact CG-CG2 4.33Å; L617-Y696 HydrophobicContact CD1-CD2 4.09Å; L617-Y696 HydrophobicContact CD1-CG 4.11Å; L617-F714 HydrophobicContact CD1-CB 4.32Å; L617-F714 HydrophobicContact CD2-CB 3.79Å; L617-F714 HydrophobicContact CD2-CD1 3.6Å; L617-F714 HydrophobicContact CD2-CE1 4.38Å; L617-F714 HydrophobicContact CD2-CG 3.86Å
618	N	58.3	Low	50.1	Low	49 Å²	49	50.2 Å²	50.2	26%	0.262	29%	0.288	S	S	.	.			trans	-87.9	105.1	-175.6	-80.3	-63.3	0	0	0	112	Q79 H616 N620 L682	Q79-N618 PolarHBondContact NE2-ND2 2.89Å; Q79-N618 VanDerWaalsContact NE2-ND2 3.12Å; Q79-N618 PolarHBondContact NE2-OD1 3.32Å; H616-N618 VanDerWaalsContact O-CG 3.32Å; H616-N618 PolarHBondContact O-N 3.48Å; H616-N618 PolarHBondContact O-ND2 3.07Å; N618-N620 PolarHBondContact O-N 2.71Å; N618-L682 WeakPolarHBondContact OD1-CD2 3.09Å; N618-L682 WeakPolarHBondContact OD1-CG 3.49Å
619	C	60.7	Low	49	Very low	5 Å²	5	50.7 Å²	50.7	3%	0.034	30%	0.303	C	S	.	.			trans	-78.9	108.8	170.2	-178.4	0	0	0	0	111.2	L617 W646 C698 F714	L617-C619 PolarHBondContact O-N 2.89Å; C619-W646 HydrophobicContact CB-CH2 4.14Å; C619-W646 HydrophobicContact CB-CZ2 3.51Å; C619-C698 HydrophobicContact CB-CB 3.59Å; C619-C698 WeakPolarHBondContact CB-SG 3.5Å; C619-C698 WeakPolarHBondContact SG-CB 3.35Å; C619-C698 CovalentContact SG-SG 2.03Å; C619-C698 PolarHBondContact SG-SG 2.71Å; C619-F714 HydrophobicContact CB-CZ 4.46Å
620	N	61.8	Low	48.3	Very low	25 Å²	25	56.5 Å²	56.5	13%	0.134	32%	0.324	C	S	.	.			trans	-99.1	99.5	-172.5	-178	19	0	0	0	112.5	N618 S622 S623	N618-N620 PolarHBondContact O-N 2.71Å; N620-S622 PolarHBondContact ND2-OG 2.83Å; N620-S622 VanDerWaalsContact ND2-OG 3.16Å; N620-S622 PolarHBondContact O-N 3.14Å; N620-S622 VanDerWaalsContact O-N 3.1Å; N620-S622 PolarHBondContact OD1-N 3.17Å; N620-S622 PolarHBondContact OD1-OG 3.22Å; N620-S623 PolarHBondContact O-N 2.87Å; N620-S623 PolarHBondContact O-OG 3.2Å
621	L	57	Low	47.4	Very low	11 Å²	11	62.7 Å²	62.7	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-44.1	-41.8	174.5	-81.8	161.3	0	0	0	113.9	S623 L624 L625 W642 I644 V675 T679 V700	L621-S623 PolarHBondContact O-N 3.45Å; L621-S623 VanDerWaalsContact O-N 3.15Å; L621-L624 PolarHBondContact O-N 2.87Å; L621-L625 WeakPolarHBondContact O-CD1 3.45Å; L621-L625 PolarHBondContact O-N 3Å; L621-W642 HydrophobicContact CD2-CE3 4.15Å; L621-W642 HydrophobicContact CD2-CZ3 4.49Å; L621-I644 HydrophobicContact CD1-CD1 4.1Å; L621-I644 HydrophobicContact CD2-CD1 4.01Å; L621-I644 HydrophobicContact CG-CD1 3.96Å; L621-V675 HydrophobicContact CD1-CG2 4.43Å; L621-T679 WeakPolarHBondContact CD1-O 3.14Å; L621-V700 HydrophobicContact CD2-CB 4.4Å; L621-V700 HydrophobicContact CD2-CG1 3.68Å; L621-V700 HydrophobicContact CD2-CG2 3.8Å
622	S	50.8	Low	46.7	Very low	30 Å²	30	64.5 Å²	64.5	21%	0.21	36%	0.36	C	S	.	.	H	α-helix	trans	-71.1	-8.5	-177.5	69.4	0	0	0	0	114.5	N620	N620-S622 PolarHBondContact ND2-OG 2.83Å; N620-S622 VanDerWaalsContact ND2-OG 3.16Å; N620-S622 PolarHBondContact O-N 3.14Å; N620-S622 VanDerWaalsContact O-N 3.1Å; N620-S622 PolarHBondContact OD1-N 3.17Å; N620-S622 PolarHBondContact OD1-OG 3.22Å
623	S	50.4	Low	46	Very low	41 Å²	41	67.1 Å²	67.1	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-96.7	-16.4	170.1	68.2	0	0	0	0	114.1	N620 L621 Q712	N620-S623 PolarHBondContact O-N 2.87Å; N620-S623 PolarHBondContact O-OG 3.2Å; L621-S623 PolarHBondContact O-N 3.45Å; L621-S623 VanDerWaalsContact O-N 3.15Å; S623-Q712 PolarHBondContact OG-NE2 2.96Å
624	L	54	Low	45.6	Very low	13 Å²	13	70 Å²	70	7%	0.068	38%	0.38	C	S	.	.	H	α-helix	trans	-90.2	-31.4	-174.2	-82.1	143.2	0	0	0	113.6	L621 L626 V700 G710 E711 Q712	L621-L624 PolarHBondContact O-N 2.87Å; L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 2.82Å; L624-V700 HydrophobicContact CD1-CG2 3.87Å; L624-G710 VanDerWaalsContact CD2-C 3.44Å; L624-E711 VanDerWaalsContact CD2-C 3.4Å; L624-Q712 HydrophobicContact CD1-CB 4.3Å; L624-Q712 HydrophobicContact CD2-CB 4.05Å; L624-Q712 HydrophobicContact CG-CB 4.41Å
625	L	51.3	Low	44.8	Very low	54 Å²	54	76.3 Å²	76.3	28%	0.283	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-85.3	9.7	-168.1	-66.8	155.2	0	0	0	114.9	L621 T627 W642 L709	L621-L625 WeakPolarHBondContact O-CD1 3.45Å; L621-L625 PolarHBondContact O-N 3Å; L625-T627 PolarHBondContact O-N 2.97Å; L625-W642 HydrophobicContact CD1-CE3 4.24Å; L625-W642 HydrophobicContact CD1-CH2 3.4Å; L625-W642 HydrophobicContact CD1-CZ2 4.3Å; L625-W642 HydrophobicContact CD1-CZ3 3.36Å; L625-W642 HydrophobicContact CD2-CH2 3.93Å; L625-W642 HydrophobicContact CD2-CZ2 4Å; L625-W642 HydrophobicContact CD2-CZ3 4.18Å; L625-W642 HydrophobicContact CG-CH2 4.31Å; L625-W642 HydrophobicContact CG-CZ3 4.4Å; L625-L709 HydrophobicContact CD2-CB 4.28Å; L625-L709 HydrophobicContact CD2-CD1 4.15Å
626	L	43.5	Very low	44.3	Very low	135 Å²	135	82 Å²	82	71%	0.707	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-73.4	-5.9	-177	-78	165.2	0	0	0	114.3	L624	L624-L626 VanDerWaalsContact C-N 3.3Å; L624-L626 PolarHBondContact O-N 2.82Å
627	T	40.7	Very low	43.4	Very low	106 Å²	106	87.4 Å²	87.4	65%	0.65	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-85.9	-22.5	-171.6	40.1	0	0	0	0	115.1	L625 L709	L625-T627 PolarHBondContact O-N 2.97Å; T627-L709 PolarHBondContact OG1-O 2.94Å
628	E	35.9	Very low	42.5	Very low	85 Å²	85	93.9 Å²	93.9	40%	0.397	50%	0.504	S	S	.	.	S	Bend	trans	-130.7	121.4	-179.9	-59.2	-150.6	126.5	0	0	112.9	Y630 K707	E628-Y630 VanDerWaalsContact C-N 3.32Å; E628-Y630 PolarHBondContact O-N 3.14Å; E628-K707 IonicContact OE1-NZ 2.72Å; E628-K707 PolarHBondContact OE1-NZ 2.74Å; E628-K707 IonicContact OE2-NZ 2.6Å; E628-K707 PolarHBondContact OE2-NZ 2.83Å
629	S	31.2	Very low	41.8	Very low	119 Å²	119	99.1 Å²	99.1	83%	0.832	53%	0.527	S	S	*	.			trans	-74.5	78.4	179.2	58.9	0	0	0	0	111.8	Q631	S629-Q631 PolarHBondContact O-N 2.8Å
630	Y	36.5	Very low	41.2	Very low	146 Å²	146	104.7 Å²	104.7	57%	0.573	55%	0.548	S	S	*	.			trans	-69.8	91.8	-178.3	-123.5	-89.5	0	0	0	111.9	E628 N632	E628-Y630 VanDerWaalsContact C-N 3.32Å; E628-Y630 PolarHBondContact O-N 3.14Å; Y630-N632 VanDerWaalsContact C-N 3.32Å; Y630-N632 PolarHBondContact O-N 2.91Å
631	Q	29.6	Very low	41.1	Very low	170 Å²	170	106.6 Å²	106.6	79%	0.794	56%	0.556	S	S	*	*			trans	-70.3	86.8	168.6	-72.3	-169.5	-13	0	0	109.8	S629 T633	S629-Q631 PolarHBondContact O-N 2.8Å; Q631-T633 PolarHBondContact O-N 2.97Å
632	N	35.9	Very low	41.4	Very low	110 Å²	110	107.3 Å²	107.3	59%	0.588	56%	0.558	S	S	*	*			trans	-80.6	64.4	-178	-159.5	7.9	0	0	0	112.5	Y630 N634	Y630-N632 VanDerWaalsContact C-N 3.32Å; Y630-N632 PolarHBondContact O-N 2.91Å; N632-N634 VanDerWaalsContact C-N 3.35Å; N632-N634 PolarHBondContact O-N 2.75Å; N632-N634 VanDerWaalsContact O-N 3.09Å
633	T	26.8	Very low	42	Very low	113 Å²	113	107 Å²	107	69%	0.693	56%	0.556	S	S	*	*			trans	-78.3	80.7	170.6	53.4	0	0	0	0	110.4	Q631	Q631-T633 PolarHBondContact O-N 2.97Å
634	N	31.7	Very low	42.7	Very low	140 Å²	140	105.4 Å²	105.4	75%	0.749	54%	0.544	S	S	*	.			trans	178.4	137.4	142.6	-89.9	-30.7	0	0	0	112.5	N632 V636	N632-N634 VanDerWaalsContact C-N 3.35Å; N632-N634 PolarHBondContact O-N 2.75Å; N632-N634 VanDerWaalsContact O-N 3.09Å; N634-V636 PolarHBondContact O-N 2.88Å
635	Q	30.7	Very low	43.3	Very low	202 Å²	202	107.1 Å²	107.1	94%	0.944	55%	0.553	S	S	*	*			trans	-88.6	83.1	180	-65.5	178.1	-51.4	0	0	112.2
636	V	33.5	Very low	44.2	Very low	124 Å²	124	105.2 Å²	105.2	75%	0.752	54%	0.542	S	S	*	.			trans	-138.9	136.4	166.8	-172.6	0	0	0	0	111.1	N634 N638	N634-V636 PolarHBondContact O-N 2.88Å; V636-N638 PolarHBondContact O-N 2.81Å
637	N	34.8	Very low	45.4	Very low	157 Å²	157	99.3 Å²	99.3	84%	0.84	51%	0.511	S	S	*	.			trans	-61.2	118	178.1	-64.5	-33.5	0	0	0	111.9
638	N	36.6	Very low	46.5	Very low	137 Å²	137	98.6 Å²	98.6	73%	0.733	50%	0.496	S	S	*	.			trans	-134.3	119.3	158.1	-94.6	-36.4	0	0	0	108.5	V636	V636-N638 PolarHBondContact O-N 2.81Å
639	Q	45.4	Very low	47.7	Very low	159 Å²	159	96.8 Å²	96.8	74%	0.743	49%	0.493	S	S	*	.			trans	-90.8	135.2	-176.4	-65.3	178.8	-31.5	0	0	110.4
640	Y	48	Very low	48.8	Very low	122 Å²	122	94.2 Å²	94.2	48%	0.478	47%	0.472	S	S	.	.			trans	64.9	99.8	176.9	-38	-76.7	0	0	0	115.3	N674 V675 T703	Y640-N674 VanDerWaalsContact CD1-O 3.23Å; Y640-N674 WeakPolarHBondContact CD1-O 3.38Å; Y640-N674 HydrophobicContact CG-CB 4.27Å; Y640-V675 CarbonylContact C-O 3.36Å; Y640-V675 WeakPolarHBondContact CA-O 3.36Å; Y640-T703 PolarHBondContact O-OG1 3.18Å
641	Q	58.2	Low	49.2	Very low	64 Å²	64	93.2 Å²	93.2	30%	0.299	48%	0.481	S	S	.	.			trans	-107.1	-15.1	-178.2	-74	-171	-20	0	0	114.5	V675 N702 T703	Q641-V675 PolarHBondContact N-O 3.17Å; Q641-N702 CarbonylContact O-C 3.56Å; Q641-N702 WeakPolarHBondContact O-CA 3.43Å; Q641-N702 PolarHBondContact O-OD1 2.89Å; Q641-T703 PolarHBondContact O-N 3.17Å; Q641-T703 PolarHBondContact O-OG1 2.66Å
642	W	63	Low	50.3	Low	26 Å²	26	86.9 Å²	86.9	10%	0.098	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.7	-172.7	-43.8	-39	0	0	0	112.7	L621 L625 N674 V675 E677 V700 Y701 L709	L621-W642 HydrophobicContact CD2-CE3 4.15Å; L621-W642 HydrophobicContact CD2-CZ3 4.49Å; L625-W642 HydrophobicContact CD1-CE3 4.24Å; L625-W642 HydrophobicContact CD1-CH2 3.4Å; L625-W642 HydrophobicContact CD1-CZ2 4.3Å; L625-W642 HydrophobicContact CD1-CZ3 3.36Å; L625-W642 HydrophobicContact CD2-CH2 3.93Å; L625-W642 HydrophobicContact CD2-CZ2 4Å; L625-W642 HydrophobicContact CD2-CZ3 4.18Å; L625-W642 HydrophobicContact CG-CH2 4.31Å; L625-W642 HydrophobicContact CG-CZ3 4.4Å; W642-N674 WeakPolarHBondContact O-CA 3.42Å; W642-V675 HydrophobicContact CB-CG2 4.26Å; W642-V675 PolarHBondContact N-O 2.8Å; W642-V675 WeakPolarHBondContact O-CG2 3.05Å; W642-V675 PolarHBondContact O-N 3Å; W642-E677 HydrophobicContact CH2-CB 3.54Å; W642-E677 HydrophobicContact CZ2-CB 4.34Å; W642-E677 VanDerWaalsContact CZ3-CA 3.46Å; W642-E677 HydrophobicContact CZ3-CB 4.06Å; W642-V700 HydrophobicContact CB-CG1 4.2Å; W642-Y701 CarbonylContact C-O 3.52Å; W642-Y701 WeakPolarHBondContact CA-O 3.5Å; W642-Y701 WeakPolarHBondContact CB-O 3.41Å; W642-L709 HydrophobicContact CB-CD1 4.44Å; W642-L709 HydrophobicContact CD2-CD1 4.14Å; W642-L709 HydrophobicContact CG-CD1 3.73Å
643	S	63.4	Low	51.1	Low	24 Å²	24	88.8 Å²	88.8	17%	0.168	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.6	175.4	58.4	0	0	0	0	110.5	V700 Y701	S643-V700 WeakPolarHBondContact O-CA 3.18Å; S643-Y701 PolarHBondContact N-O 2.69Å; S643-Y701 PolarHBondContact O-N 3.12Å
644	I	66.5	Low	52.2	Low	8 Å²	8	90.8 Å²	90.8	4%	0.041	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.9	179.4	-56.6	-162.6	0	0	0	110.7	L621 V675 I681 C698 R699 V700	L621-I644 HydrophobicContact CD1-CD1 4.1Å; L621-I644 HydrophobicContact CD2-CD1 4.01Å; L621-I644 HydrophobicContact CG-CD1 3.96Å; I644-V675 HydrophobicContact CG1-CG2 4.4Å; I644-I681 HydrophobicContact CB-CD1 4.31Å; I644-I681 HydrophobicContact CD1-CD1 3.53Å; I644-I681 HydrophobicContact CG1-CD1 3.82Å; I644-C698 WeakPolarHBondContact CG2-SG 3.25Å; I644-R699 WeakPolarHBondContact CA-O 3.48Å; I644-V700 HydrophobicContact CD1-CG2 4.12Å; I644-V700 HydrophobicContact CG1-CG2 4.17Å
645	L	66.2	Low	53.4	Low	49 Å²	49	86.9 Å²	86.9	26%	0.257	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	175.8	-71.2	166.1	0	0	0	110.2	Y647 P655 R699 Y701	L645-Y647 HydrophobicContact CB-CE2 3.81Å; L645-P655 HydrophobicContact CB-CB 4.4Å; L645-P655 HydrophobicContact CD2-CB 4.06Å; L645-P655 HydrophobicContact CD2-CG 4.41Å; L645-R699 PolarHBondContact N-O 2.8Å; L645-R699 PolarHBondContact O-N 2.83Å; L645-Y701 HydrophobicContact CB-CE2 4.19Å; L645-Y701 HydrophobicContact CD1-CD2 3.98Å; L645-Y701 HydrophobicContact CD1-CE2 3.8Å; L645-Y701 HydrophobicContact CG-CE2 4.47Å
646	W	69.9	Low	54.7	Low	14 Å²	14	79 Å²	79	5%	0.053	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.8	179.2	-78.6	81.6	0	0	0	112	L617 C619 P655 L656 Y670 S683 V685 I697 C698 F714	L617-W646 HydrophobicContact CB-CH2 4.05Å; L617-W646 HydrophobicContact CB-CZ3 4.5Å; C619-W646 HydrophobicContact CB-CH2 4.14Å; C619-W646 HydrophobicContact CB-CZ2 3.51Å; W646-P655 CarbonylContact O-C 3.55Å; W646-P655 WeakPolarHBondContact O-CA 3.34Å; W646-L656 HydrophobicContact CB-CD1 4.24Å; W646-L656 PolarHBondContact O-N 2.91Å; W646-Y670 HydrophobicContact CB-CD1 4.02Å; W646-Y670 HydrophobicContact CB-CE1 3.67Å; W646-Y670 AromaticContact CD1-CD1 3.65Å; W646-Y670 AromaticContact CD1-CE1 3.84Å; W646-Y670 HydrophobicContact CD2-CD1 4.23Å; W646-Y670 AromaticContact CD2-CE1 3.63Å; W646-Y670 HydrophobicContact CD2-CE1 3.63Å; W646-Y670 HydrophobicContact CE3-CE1 4.11Å; W646-Y670 AromaticContact CG-CD1 3.71Å; W646-Y670 HydrophobicContact CG-CD1 3.71Å; W646-Y670 AromaticContact CG-CE1 3.44Å; W646-Y670 HydrophobicContact CG-CE1 3.44Å; W646-Y670 VanDerWaalsContact CG-CE1 3.44Å; W646-S683 VanDerWaalsContact CE2-OG 3.22Å; W646-S683 WeakPolarHBondContact CZ2-OG 3.48Å; W646-S683 PolarHBondContact NE1-OG 3.11Å; W646-V685 HydrophobicContact CH2-CG2 4.4Å; W646-V685 HydrophobicContact CZ3-CG2 4.34Å; W646-I697 CarbonylContact C-O 3.57Å; W646-I697 VanDerWaalsContact CA-O 3.3Å; W646-I697 WeakPolarHBondContact CA-O 3.4Å; W646-C698 HydrophobicContact CD2-CB 4.02Å; W646-C698 HydrophobicContact CE3-CB 4.2Å; W646-C698 HydrophobicContact CH2-CB 4.01Å; W646-C698 HydrophobicContact CZ2-CB 3.79Å; W646-C698 HydrophobicContact CZ3-CB 4.19Å; W646-F714 AromaticContact CH2-CD2 3.87Å; W646-F714 HydrophobicContact CH2-CD2 3.87Å; W646-F714 AromaticContact CH2-CE2 3.5Å; W646-F714 HydrophobicContact CH2-CE2 3.5Å; W646-F714 VanDerWaalsContact CH2-CE2 3.5Å; W646-F714 HydrophobicContact CH2-CZ 4.13Å; W646-F714 HydrophobicContact CZ2-CE2 4.46Å; W646-F714 AromaticContact CZ3-CD2 3.71Å; W646-F714 HydrophobicContact CZ3-CD2 3.71Å; W646-F714 AromaticContact CZ3-CE2 3.79Å; W646-F714 HydrophobicContact CZ3-CE2 3.79Å
647	Y	68	Low	55.4	Low	11 Å²	11	76.9 Å²	76.9	4%	0.043	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.5	-176.7	-57.7	-101.2	0	0	0	109.5	L645 S652 E654 P655 Y696 I697 R699 Y701	L645-Y647 HydrophobicContact CB-CE2 3.81Å; Y647-S652 VanDerWaalsContact CD1-O 3.3Å; Y647-S652 WeakPolarHBondContact CD1-O 3.26Å; Y647-E654 VanDerWaalsContact CD1-O 3.29Å; Y647-E654 WeakPolarHBondContact CD1-O 3.37Å; Y647-P655 HydrophobicContact CD1-CB 4.41Å; Y647-P655 HydrophobicContact CE1-CB 3.89Å; Y647-P655 HydrophobicContact CE2-CB 4.48Å; Y647-Y696 CarbonylContact O-C 3.55Å; Y647-Y696 WeakPolarHBondContact O-CA 3.39Å; Y647-I697 PolarHBondContact N-O 3.1Å; Y647-I697 PolarHBondContact O-N 2.87Å; Y647-R699 HydrophobicContact CD2-CB 4.5Å; Y647-R699 HydrophobicContact CD2-CG 4.09Å; Y647-R699 HydrophobicContact CE2-CB 3.96Å; Y647-R699 HydrophobicContact CE2-CG 3.88Å; Y647-Y701 PolarHBondContact OH-OH 2.85Å
648	R	63.9	Low	56	Low	91 Å²	91	71.3 Å²	71.3	34%	0.343	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.3	172.4	-168.6	175.6	-173.5	-171.6	-1.9	108.9	S652 L656 T691 D692 D693 Q695 Y696	R648-S652 WeakPolarHBondContact O-CB 3.17Å; R648-L656 HydrophobicContact CB-CD1 4.13Å; R648-L656 HydrophobicContact CB-CD2 3.93Å; R648-L656 HydrophobicContact CB-CG 4.26Å; R648-T691 PolarHBondContact NH2-O 3.14Å; R648-D692 PolarHBondContact NH2-O 2.64Å; R648-D693 PolarHBondContact NH2-O 3.45Å; R648-Q695 CarbonylContact C-O 3.54Å; R648-Q695 WeakPolarHBondContact CA-O 3.3Å; R648-Y696 HydrophobicContact CB-CD1 4.49Å; R648-Y696 HydrophobicContact CB-CE1 4.36Å; R648-Y696 HydrophobicContact CG-CD1 4.45Å; R648-Y696 HydrophobicContact CG-CE1 4.07Å; R648-Y696 PolarHBondContact NE-OH 3.26Å
649	S	62.7	Low	56.1	Low	47 Å²	47	67.6 Å²	67.6	33%	0.329	35%	0.346	S	S	.	.	S	Bend	trans	66.1	149.4	-166	-170.9	0	0	0	0	115.4	T651 S652 Q695	S649-T651 PolarHBondContact O-N 3.05Å; S649-T651 PolarHBondContact OG-N 2.79Å; S649-T651 PolarHBondContact OG-OG1 2.76Å; S649-T651 VanDerWaalsContact OG-OG1 3.06Å; S649-S652 PolarHBondContact O-N 2.95Å; S649-Q695 PolarHBondContact N-O 3.48Å
650	V	52.7	Low	55.8	Low	64 Å²	64	63.3 Å²	63.3	39%	0.388	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23	173.6	-176.9	0	0	0	0	112.1	I697	V650-I697 HydrophobicContact CG2-CD1 4.11Å
651	T	46.5	Very low	55.5	Low	126 Å²	126	58.9 Å²	58.9	77%	0.773	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.3	-178.9	56.4	0	0	0	0	114.6	S649	S649-T651 PolarHBondContact O-N 3.05Å; S649-T651 PolarHBondContact OG-N 2.79Å; S649-T651 PolarHBondContact OG-OG1 2.76Å; S649-T651 VanDerWaalsContact OG-OG1 3.06Å
652	S	52.5	Low	54.6	Low	37 Å²	37	56.8 Å²	56.8	26%	0.259	31%	0.31	S	S	.	.			trans	-89.9	108.7	179.3	-166.5	0	0	0	0	111.3	Y647 R648 S649 E654	Y647-S652 VanDerWaalsContact CD1-O 3.3Å; Y647-S652 WeakPolarHBondContact CD1-O 3.26Å; R648-S652 WeakPolarHBondContact O-CB 3.17Å; S649-S652 PolarHBondContact O-N 2.95Å; S652-E654 PolarHBondContact OG-O 3.48Å
653	N	52	Low	53.3	Low	150 Å²	150	59.9 Å²	59.9	80%	0.802	33%	0.325	S	S	*	.			trans	-79.8	-21.7	169	-76.8	-14	0	0	0	112.4
654	E	50.2	Low	52.1	Low	155 Å²	155	61.7 Å²	61.7	72%	0.724	34%	0.341	S	S	*	.	S	Bend	trans	-81.9	133	172.9	-65.1	-174.5	168.3	0	0	110.2	Y647 S652	Y647-E654 VanDerWaalsContact CD1-O 3.29Å; Y647-E654 WeakPolarHBondContact CD1-O 3.37Å; S652-E654 PolarHBondContact OG-O 3.48Å
655	P	57.4	Low	50.4	Low	57 Å²	57	65.3 Å²	65.3	37%	0.37	37%	0.367	S	S	.	.			trans	-68.5	152.3	169.2	30.4	-33.6	0	0	0	110.2	L645 W646 Y647 N657	L645-P655 HydrophobicContact CB-CB 4.4Å; L645-P655 HydrophobicContact CD2-CB 4.06Å; L645-P655 HydrophobicContact CD2-CG 4.41Å; W646-P655 CarbonylContact O-C 3.55Å; W646-P655 WeakPolarHBondContact O-CA 3.34Å; Y647-P655 HydrophobicContact CD1-CB 4.41Å; Y647-P655 HydrophobicContact CE1-CB 3.89Å; Y647-P655 HydrophobicContact CE2-CB 4.48Å; P655-N657 PolarHBondContact O-N 2.87Å
656	L	57.8	Low	48.8	Very low	37 Å²	37	64.2 Å²	64.2	19%	0.194	37%	0.367	C	S	.	.			trans	-60.2	97.8	176.2	-79	165.4	0	0	0	110.4	W646 R648 I658 V661 Y670 Y696	W646-L656 HydrophobicContact CB-CD1 4.24Å; W646-L656 PolarHBondContact O-N 2.91Å; R648-L656 HydrophobicContact CB-CD1 4.13Å; R648-L656 HydrophobicContact CB-CD2 3.93Å; R648-L656 HydrophobicContact CB-CG 4.26Å; L656-I658 PolarHBondContact O-N 2.84Å; L656-I658 VanDerWaalsContact O-N 3.11Å; L656-V661 HydrophobicContact CD2-CG2 4.03Å; L656-Y670 HydrophobicContact CB-CE2 4.2Å; L656-Y670 HydrophobicContact CD1-CE2 3.81Å; L656-Y670 WeakPolarHBondContact CD1-OH 3.43Å; L656-Y696 HydrophobicContact CD1-CD1 4.16Å; L656-Y696 HydrophobicContact CD1-CE1 4.21Å
657	N	47.6	Very low	47.1	Very low	79 Å²	79	64.6 Å²	64.6	42%	0.422	38%	0.376	S	S	.	.			trans	-61.1	118.2	176.9	-174.5	-6.1	0	0	0	109.8	P655 E659 S660 V661	P655-N657 PolarHBondContact O-N 2.87Å; N657-E659 PolarHBondContact ND2-OE2 2.89Å; N657-E659 PolarHBondContact O-N 3.03Å; N657-E659 VanDerWaalsContact O-N 3.14Å; N657-E659 VanDerWaalsContact OD1-CB 3.31Å; N657-E659 WeakPolarHBondContact OD1-CB 3.43Å; N657-E659 VanDerWaalsContact OD1-CG 3.3Å; N657-E659 WeakPolarHBondContact OD1-CG 3.46Å; N657-E659 PolarHBondContact OD1-N 3.29Å; N657-E659 PolarHBondContact OD1-OE2 2.88Å; N657-S660 PolarHBondContact O-N 3.31Å; N657-S660 PolarHBondContact O-OG 2.88Å; N657-V661 PolarHBondContact O-N 2.83Å
658	I	47.9	Very low	45.7	Very low	40 Å²	40	64.5 Å²	64.5	21%	0.205	38%	0.376	C	S	.	.	H	α-helix	trans	-54.7	-31.9	176.8	-68.9	173.2	0	0	0	111	L656 S660 N662 Y670 I672	L656-I658 PolarHBondContact O-N 2.84Å; L656-I658 VanDerWaalsContact O-N 3.11Å; I658-S660 VanDerWaalsContact C-N 3.33Å; I658-S660 PolarHBondContact O-N 3.46Å; I658-N662 VanDerWaalsContact CG2-ND2 3.33Å; I658-N662 WeakPolarHBondContact CG2-ND2 3.29Å; I658-N662 VanDerWaalsContact O-CB 3.29Å; I658-N662 WeakPolarHBondContact O-CB 3.36Å; I658-N662 PolarHBondContact O-N 3.11Å; I658-N662 PolarHBondContact O-ND2 3.21Å; I658-Y670 WeakPolarHBondContact CD1-O 3.28Å; I658-I672 HydrophobicContact CD1-CD1 3.88Å; I658-I672 HydrophobicContact CD1-CG1 3.79Å
659	E	38.5	Very low	44.6	Very low	59 Å²	59	65.4 Å²	65.4	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-71.6	-17.9	177.1	-54.7	177.9	110.1	0	0	114.5	N657 K663 I901	N657-E659 PolarHBondContact ND2-OE2 2.89Å; N657-E659 PolarHBondContact O-N 3.03Å; N657-E659 VanDerWaalsContact O-N 3.14Å; N657-E659 VanDerWaalsContact OD1-CB 3.31Å; N657-E659 WeakPolarHBondContact OD1-CB 3.43Å; N657-E659 VanDerWaalsContact OD1-CG 3.3Å; N657-E659 WeakPolarHBondContact OD1-CG 3.46Å; N657-E659 PolarHBondContact OD1-N 3.29Å; N657-E659 PolarHBondContact OD1-OE2 2.88Å; E659-K663 WeakPolarHBondContact O-CD 3.42Å; E659-K663 WeakPolarHBondContact O-CE 3.44Å; E659-K663 WeakPolarHBondContact O-CG 3.48Å; E659-K663 PolarHBondContact O-NZ 2.88Å; E659-I901 HydrophobicContact CG-CD1 4.29Å; E659-I901 HydrophobicContact CG-CG1 4.3Å; E659-I901 HydrophobicContact CG-CG2 3.86Å
660	S	39.3	Very low	43.8	Very low	70 Å²	70	64 Å²	64	49%	0.49	37%	0.37	S	S	.	.	H	α-helix	trans	-95.4	-46.5	180	70	0	0	0	0	111	N657 I658 N662 K663	N657-S660 PolarHBondContact O-N 3.31Å; N657-S660 PolarHBondContact O-OG 2.88Å; I658-S660 VanDerWaalsContact C-N 3.33Å; I658-S660 PolarHBondContact O-N 3.46Å; S660-N662 PolarHBondContact O-N 2.92Å; S660-K663 WeakPolarHBondContact O-CB 3.19Å; S660-K663 PolarHBondContact O-N 2.73Å
661	V	41.8	Very low	43.4	Very low	29 Å²	29	66.7 Å²	66.7	18%	0.176	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-38.9	-177	-173.5	0	0	0	0	111.8	L656 N657 K663 A664 G667 I668	L656-V661 HydrophobicContact CD2-CG2 4.03Å; N657-V661 PolarHBondContact O-N 2.83Å; V661-K663 PolarHBondContact O-N 2.81Å; V661-K663 VanDerWaalsContact O-N 3.16Å; V661-A664 PolarHBondContact O-N 2.78Å; V661-G667 VanDerWaalsContact O-CA 3.27Å; V661-G667 WeakPolarHBondContact O-CA 3.49Å; V661-I668 HydrophobicContact CG1-CB 3.89Å; V661-I668 HydrophobicContact CG1-CD1 4.25Å; V661-I668 HydrophobicContact CG1-CG1 4.4Å
662	N	38.2	Very low	43.3	Very low	20 Å²	20	65.9 Å²	65.9	11%	0.107	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.4	176.3	-95	-66.2	0	0	0	114	I658 S660 A664 Q899	I658-N662 VanDerWaalsContact CG2-ND2 3.33Å; I658-N662 WeakPolarHBondContact CG2-ND2 3.29Å; I658-N662 VanDerWaalsContact O-CB 3.29Å; I658-N662 WeakPolarHBondContact O-CB 3.36Å; I658-N662 PolarHBondContact O-N 3.11Å; I658-N662 PolarHBondContact O-ND2 3.21Å; S660-N662 PolarHBondContact O-N 2.92Å; N662-A664 PolarHBondContact O-N 2.87Å; N662-Q899 HydrophobicContact CB-CG 4.19Å; N662-Q899 PolarHBondContact O-NE2 3.15Å; N662-Q899 PolarHBondContact O-OE1 2.88Å; N662-Q899 PolarHBondContact OD1-NE2 2.88Å
663	K	37.4	Very low	43.3	Very low	91 Å²	91	65.6 Å²	65.6	40%	0.396	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.3	-174.2	-61.7	-178.2	168	125	0	113.5	E659 S660 V661 I918	E659-K663 WeakPolarHBondContact O-CD 3.42Å; E659-K663 WeakPolarHBondContact O-CE 3.44Å; E659-K663 WeakPolarHBondContact O-CG 3.48Å; E659-K663 PolarHBondContact O-NZ 2.88Å; S660-K663 WeakPolarHBondContact O-CB 3.19Å; S660-K663 PolarHBondContact O-N 2.73Å; V661-K663 PolarHBondContact O-N 2.81Å; V661-K663 VanDerWaalsContact O-N 3.16Å; K663-I918 HydrophobicContact CD-CD1 4.27Å; K663-I918 HydrophobicContact CD-CG1 3.77Å; K663-I918 HydrophobicContact CG-CD1 3.91Å; K663-I918 HydrophobicContact CG-CG1 3.77Å
664	A	36.8	Very low	43.3	Very low	61 Å²	61	63.2 Å²	63.2	50%	0.504	36%	0.356	S	S	.	.	S	Bend	trans	-91.9	137.3	171.9	0	0	0	0	0	111.1	V661 N662 G666 G667	V661-A664 PolarHBondContact O-N 2.78Å; N662-A664 PolarHBondContact O-N 2.87Å; A664-G666 PolarHBondContact O-N 3.01Å; A664-G667 PolarHBondContact O-N 3.01Å
665	S	30.3	Very low	43.4	Very low	85 Å²	85	56 Å²	56	59%	0.594	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	100.5	169.2	40.2	0	0	0	0	109.8	K689	S665-K689 PolarHBondContact O-NZ 3.08Å
666	G	33.2	Very low	43.2	Very low	25 Å²	25	55.6 Å²	55.6	26%	0.258	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.3	-4.2	-166.1	0	0	0	0	0	114.1	A664	A664-G666 PolarHBondContact O-N 3.01Å
667	G	33.9	Very low	42.7	Very low	23 Å²	23	59.3 Å²	59.3	24%	0.237	33%	0.333	C	S	.	.			trans	-59.5	135.8	-174	0	0	0	0	0	116.2	V661 A664	V661-G667 VanDerWaalsContact O-CA 3.27Å; V661-G667 WeakPolarHBondContact O-CA 3.49Å; A664-G667 PolarHBondContact O-N 3.01Å
668	I	39.4	Very low	42.4	Very low	8 Å²	8	62.4 Å²	62.4	4%	0.041	34%	0.34	C	S	.	.			trans	-64.4	136.4	173.7	-61	148.3	0	0	0	111.6	V661 Y670 V685 Y696	V661-I668 HydrophobicContact CG1-CB 3.89Å; V661-I668 HydrophobicContact CG1-CD1 4.25Å; V661-I668 HydrophobicContact CG1-CG1 4.4Å; I668-Y670 HydrophobicContact CB-CE2 4Å; I668-Y670 HydrophobicContact CG2-CD1 4.3Å; I668-Y670 HydrophobicContact CG2-CD2 3.74Å; I668-Y670 HydrophobicContact CG2-CE1 3.98Å; I668-Y670 HydrophobicContact CG2-CE2 3.36Å; I668-Y670 HydrophobicContact CG2-CG 4.18Å; I668-Y670 VanDerWaalsContact CG2-CZ 3.48Å; I668-V685 HydrophobicContact CD1-CG1 3.61Å; I668-V685 HydrophobicContact CG1-CG1 3.69Å; I668-V685 HydrophobicContact CG2-CB 4.25Å; I668-V685 HydrophobicContact CG2-CG1 4.09Å; I668-V685 HydrophobicContact CG2-CG2 4.31Å; I668-Y696 HydrophobicContact CD1-CE1 4.17Å
669	K	40.1	Very low	42.3	Very low	110 Å²	110	62.1 Å²	62.1	48%	0.478	34%	0.34	S	S	.	.			trans	-102.4	92.5	173.7	-67.6	-176.3	-179.8	179.9	0	111.5	N1033	K669-N1033 PolarHBondContact NZ-OD1 2.63Å
670	Y	46.8	Very low	42.5	Very low	18 Å²	18	61.9 Å²	61.9	7%	0.071	34%	0.339	C	S	.	.			trans	-78.2	146.6	165.9	-59.6	-78.8	0	0	0	111	W646 L656 I658 I668 V685	W646-Y670 HydrophobicContact CB-CD1 4.02Å; W646-Y670 HydrophobicContact CB-CE1 3.67Å; W646-Y670 AromaticContact CD1-CD1 3.65Å; W646-Y670 AromaticContact CD1-CE1 3.84Å; W646-Y670 HydrophobicContact CD2-CD1 4.23Å; W646-Y670 AromaticContact CD2-CE1 3.63Å; W646-Y670 HydrophobicContact CD2-CE1 3.63Å; W646-Y670 HydrophobicContact CE3-CE1 4.11Å; W646-Y670 AromaticContact CG-CD1 3.71Å; W646-Y670 HydrophobicContact CG-CD1 3.71Å; W646-Y670 AromaticContact CG-CE1 3.44Å; W646-Y670 HydrophobicContact CG-CE1 3.44Å; W646-Y670 VanDerWaalsContact CG-CE1 3.44Å; L656-Y670 HydrophobicContact CB-CE2 4.2Å; L656-Y670 HydrophobicContact CD1-CE2 3.81Å; L656-Y670 WeakPolarHBondContact CD1-OH 3.43Å; I658-Y670 WeakPolarHBondContact CD1-O 3.28Å; I668-Y670 HydrophobicContact CB-CE2 4Å; I668-Y670 HydrophobicContact CG2-CD1 4.3Å; I668-Y670 HydrophobicContact CG2-CD2 3.74Å; I668-Y670 HydrophobicContact CG2-CE1 3.98Å; I668-Y670 HydrophobicContact CG2-CE2 3.36Å; I668-Y670 HydrophobicContact CG2-CG 4.18Å; I668-Y670 VanDerWaalsContact CG2-CZ 3.48Å; Y670-V685 HydrophobicContact CE1-CG2 3.63Å
671	I	43.5	Very low	42.9	Very low	121 Å²	121	59.7 Å²	59.7	62%	0.621	32%	0.322	S	S	*	.			trans	-112.1	105.6	169	-59	175.1	0	0	0	107.7	S673	I671-S673 PolarHBondContact O-N 2.82Å; I671-S673 PolarHBondContact O-OG 3.15Å
672	I	44.9	Very low	42.9	Very low	109 Å²	109	60.9 Å²	60.9	56%	0.559	33%	0.327	S	S	*	.			trans	-63.9	117.8	160.4	-67.5	167.2	0	0	0	106.2	I658	I658-I672 HydrophobicContact CD1-CD1 3.88Å; I658-I672 HydrophobicContact CD1-CG1 3.79Å
673	S	51.4	Low	43.2	Very low	31 Å²	31	60.2 Å²	60.2	22%	0.217	32%	0.324	C	S	.	.			trans	-135.3	130.6	177	33.9	0	0	0	0	108.9	I671 I681	I671-S673 PolarHBondContact O-N 2.82Å; I671-S673 PolarHBondContact O-OG 3.15Å; S673-I681 VanDerWaalsContact OG-CD1 3.27Å; S673-I681 WeakPolarHBondContact OG-CD1 3.35Å
674	N	53	Low	43.5	Very low	99 Å²	99	59 Å²	59	53%	0.529	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129	168.4	-65	-22.6	0	0	0	107.3	Y640 W642	Y640-N674 VanDerWaalsContact CD1-O 3.23Å; Y640-N674 WeakPolarHBondContact CD1-O 3.38Å; Y640-N674 HydrophobicContact CG-CB 4.27Å; W642-N674 WeakPolarHBondContact O-CA 3.42Å
675	V	53.3	Low	43.9	Very low	4 Å²	4	56.1 Å²	56.1	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163	-165.6	-82.5	0	0	0	0	113.1	L621 Y640 Q641 W642 I644 T679 I681	L621-V675 HydrophobicContact CD1-CG2 4.43Å; Y640-V675 CarbonylContact C-O 3.36Å; Y640-V675 WeakPolarHBondContact CA-O 3.36Å; Q641-V675 PolarHBondContact N-O 3.17Å; W642-V675 HydrophobicContact CB-CG2 4.26Å; W642-V675 PolarHBondContact N-O 2.8Å; W642-V675 WeakPolarHBondContact O-CG2 3.05Å; W642-V675 PolarHBondContact O-N 3Å; I644-V675 HydrophobicContact CG1-CG2 4.4Å; V675-T679 WeakPolarHBondContact CB-OG1 3.5Å; V675-T679 VanDerWaalsContact CG1-OG1 3.23Å; V675-T679 WeakPolarHBondContact CG1-OG1 3.39Å; V675-I681 HydrophobicContact CB-CD1 4.31Å; V675-I681 HydrophobicContact CG1-CD1 3.48Å; V675-I681 VanDerWaalsContact CG1-CD1 3.48Å; V675-I681 HydrophobicContact CG1-CG1 3.81Å; V675-I681 HydrophobicContact CG2-CD1 3.92Å
676	N	51.8	Low	44.7	Very low	49 Å²	49	54 Å²	54	26%	0.262	28%	0.279	S	S	.	.			trans	-123.4	-178.2	175.4	68.4	31	0	0	0	110.6	Y678 T679	N676-Y678 PolarHBondContact O-N 3.35Å; N676-Y678 VanDerWaalsContact O-N 3.12Å; N676-Y678 WeakPolarHBondContact OD1-CA 3.35Å; N676-Y678 PolarHBondContact OD1-N 3.01Å; N676-T679 PolarHBondContact N-OG1 3.03Å; N676-T679 PolarHBondContact O-N 3.28Å; N676-T679 PolarHBondContact O-OG1 3.39Å; N676-T679 PolarHBondContact OD1-N 3.16Å; N676-T679 PolarHBondContact OD1-OG1 2.83Å
677	E	47.2	Very low	45.5	Very low	114 Å²	114	52.9 Å²	52.9	53%	0.533	27%	0.267	S	S	.	.	S	Bend	trans	-63.7	-11	-178.8	67.8	-168.9	171.3	0	0	115.9	W642	W642-E677 HydrophobicContact CH2-CB 3.54Å; W642-E677 HydrophobicContact CZ2-CB 4.34Å; W642-E677 VanDerWaalsContact CZ3-CA 3.46Å; W642-E677 HydrophobicContact CZ3-CB 4.06Å
678	Y	42.4	Very low	46.3	Very low	145 Å²	145	56.8 Å²	56.8	57%	0.569	28%	0.275	S	S	*	.	S	Bend	trans	-107.9	-25.3	-179.8	-52.3	-73.3	0	0	0	113.6	Y100 N676 Q680	Y100-Y678 WeakPolarHBondContact CE1-O 3.28Å; N676-Y678 PolarHBondContact O-N 3.35Å; N676-Y678 VanDerWaalsContact O-N 3.12Å; N676-Y678 WeakPolarHBondContact OD1-CA 3.35Å; N676-Y678 PolarHBondContact OD1-N 3.01Å; Y678-Q680 PolarHBondContact O-N 2.94Å
679	T	44.3	Very low	46.9	Very low	33 Å²	33	60.4 Å²	60.4	20%	0.202	29%	0.29	C	S	.	.			trans	-78.3	110.6	-177	43	0	0	0	0	112.3	L621 V675 N676	L621-T679 WeakPolarHBondContact CD1-O 3.14Å; V675-T679 WeakPolarHBondContact CB-OG1 3.5Å; V675-T679 VanDerWaalsContact CG1-OG1 3.23Å; V675-T679 WeakPolarHBondContact CG1-OG1 3.39Å; N676-T679 PolarHBondContact N-OG1 3.03Å; N676-T679 PolarHBondContact O-N 3.28Å; N676-T679 PolarHBondContact O-OG1 3.39Å; N676-T679 PolarHBondContact OD1-N 3.16Å; N676-T679 PolarHBondContact OD1-OG1 2.83Å
680	Q	44	Very low	47.7	Very low	55 Å²	55	58.4 Å²	58.4	26%	0.257	28%	0.284	S	S	.	.			trans	-88	124	174.5	-63.5	164.8	4.9	0	0	110.1	A76 T77 Y100 Y678	A76-Q680 PolarHBondContact O-NE2 3.02Å; T77-Q680 VanDerWaalsContact CB-OE1 3.22Å; T77-Q680 HydrophobicContact CG2-CG 4.18Å; Y100-Q680 PolarHBondContact OH-OE1 2.84Å; Y100-Q680 VanDerWaalsContact OH-OE1 3.06Å; Y678-Q680 PolarHBondContact O-N 2.94Å
681	I	46.3	Very low	48.2	Very low	23 Å²	23	62.4 Å²	62.4	12%	0.118	31%	0.31	C	S	.	.			trans	-97.5	109.6	176.9	-62.3	160.9	0	0	0	110.4	I644 S673 V675 S683	I644-I681 HydrophobicContact CB-CD1 4.31Å; I644-I681 HydrophobicContact CD1-CD1 3.53Å; I644-I681 HydrophobicContact CG1-CD1 3.82Å; S673-I681 VanDerWaalsContact OG-CD1 3.27Å; S673-I681 WeakPolarHBondContact OG-CD1 3.35Å; V675-I681 HydrophobicContact CB-CD1 4.31Å; V675-I681 HydrophobicContact CG1-CD1 3.48Å; V675-I681 VanDerWaalsContact CG1-CD1 3.48Å; V675-I681 HydrophobicContact CG1-CG1 3.81Å; V675-I681 HydrophobicContact CG2-CD1 3.92Å; I681-S683 VanDerWaalsContact C-N 3.3Å; I681-S683 PolarHBondContact O-N 3.08Å
682	L	42.8	Very low	48.9	Very low	55 Å²	55	57.8 Å²	57.8	29%	0.288	29%	0.287	S	S	.	.			trans	-73.2	85.4	161.2	-113.7	145.7	0	0	0	108.5	N618 I684	N618-L682 WeakPolarHBondContact OD1-CD2 3.09Å; N618-L682 WeakPolarHBondContact OD1-CG 3.49Å; L682-I684 VanDerWaalsContact C-N 3.3Å; L682-I684 HydrophobicContact CB-CG1 4.5Å; L682-I684 HydrophobicContact CD2-CD1 4.23Å; L682-I684 HydrophobicContact CD2-CG1 3.89Å; L682-I684 PolarHBondContact O-N 3.23Å
683	S	44.7	Very low	49.9	Very low	6 Å²	6	55.2 Å²	55.2	4%	0.042	27%	0.274	C	S	.	.			trans	-80.3	76.3	-179.5	178.3	0	0	0	0	110.8	L617 W646 I681 V685	L617-S683 VanDerWaalsContact O-O 3.13Å; W646-S683 VanDerWaalsContact CE2-OG 3.22Å; W646-S683 WeakPolarHBondContact CZ2-OG 3.48Å; W646-S683 PolarHBondContact NE1-OG 3.11Å; I681-S683 VanDerWaalsContact C-N 3.3Å; I681-S683 PolarHBondContact O-N 3.08Å; S683-V685 PolarHBondContact O-N 2.82Å
684	I	44.4	Very low	50.7	Low	66 Å²	66	54.7 Å²	54.7	34%	0.338	27%	0.274	S	S	.	.			trans	-67.5	94.8	-171	-62.9	166.6	0	0	0	111.6	L682 N686	L682-I684 VanDerWaalsContact C-N 3.3Å; L682-I684 HydrophobicContact CB-CG1 4.5Å; L682-I684 HydrophobicContact CD2-CD1 4.23Å; L682-I684 HydrophobicContact CD2-CG1 3.89Å; L682-I684 PolarHBondContact O-N 3.23Å; I684-N686 HydrophobicContact CG2-CB 4.32Å; I684-N686 PolarHBondContact O-N 3.15Å
685	V	44.4	Very low	51.5	Low	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.			trans	-70.1	115.5	158.9	-170.3	0	0	0	0	107.3	G615 L617 W646 I668 Y670 S683 P687	G615-V685 CarbonylContact C-O 3.53Å; L617-V685 HydrophobicContact CB-CB 4.01Å; L617-V685 HydrophobicContact CB-CG2 3.85Å; L617-V685 HydrophobicContact CD1-CB 3.9Å; L617-V685 HydrophobicContact CD1-CG1 4Å; L617-V685 HydrophobicContact CD1-CG2 3.88Å; L617-V685 HydrophobicContact CG-CB 4.16Å; L617-V685 HydrophobicContact CG-CG2 4.33Å; W646-V685 HydrophobicContact CH2-CG2 4.4Å; W646-V685 HydrophobicContact CZ3-CG2 4.34Å; I668-V685 HydrophobicContact CD1-CG1 3.61Å; I668-V685 HydrophobicContact CG1-CG1 3.69Å; I668-V685 HydrophobicContact CG2-CB 4.25Å; I668-V685 HydrophobicContact CG2-CG1 4.09Å; I668-V685 HydrophobicContact CG2-CG2 4.31Å; Y670-V685 HydrophobicContact CE1-CG2 3.63Å; S683-V685 PolarHBondContact O-N 2.82Å; V685-P687 WeakPolarHBondContact O-CD 3.14Å
686	N	48	Very low	52.5	Low	39 Å²	39	53.2 Å²	53.2	21%	0.209	26%	0.263	C	S	.	.			trans	-112.6	73.6	178.9	-166.4	-37.3	0	0	0	109	T614 I684	T614-N686 WeakPolarHBondContact CG2-ND2 3.47Å; I684-N686 HydrophobicContact CG2-CB 4.32Å; I684-N686 PolarHBondContact O-N 3.15Å
687	P	49	Very low	53.6	Low	3 Å²	3	51 Å²	51	2%	0.019	25%	0.251	C	S	.	.			trans	-70	141.9	176	33.8	-34.4	0	0	0	108.7	V685 D692 L716 I718	V685-P687 WeakPolarHBondContact O-CD 3.14Å; P687-D692 HydrophobicContact CB-CB 3.63Å; P687-L716 HydrophobicContact CB-CD2 3.45Å; P687-L716 VanDerWaalsContact CB-CD2 3.45Å; P687-L716 HydrophobicContact CG-CD1 4.13Å; P687-L716 HydrophobicContact CG-CD2 3.5Å; P687-L716 VanDerWaalsContact CG-CD2 3.5Å; P687-L716 HydrophobicContact CG-CG 4.46Å; P687-I718 HydrophobicContact CB-CD1 4.11Å
688	R	50	Low	54.9	Low	105 Å²	105	45.5 Å²	45.5	40%	0.396	23%	0.226	S	C	.	.			trans	-131	-12.3	-176	-77	-169.5	169.7	-151.3	-4	114.6	D692	R688-D692 PolarHBondContact N-OD2 3.25Å
689	K	52.3	Low	56.4	Low	84 Å²	84	40.6 Å²	40.6	37%	0.365	21%	0.207	S	C	.	.	S	Bend	trans	-135	150.7	-176.1	-70.6	164.3	178.2	165.7	0	109.7	E611 S665 T691 D692 I718	E611-K689 VanDerWaalsContact OE1-CA 3.31Å; E611-K689 WeakPolarHBondContact OE1-CA 3.49Å; S665-K689 PolarHBondContact O-NZ 3.08Å; K689-T691 WeakPolarHBondContact CB-OG1 3.3Å; K689-T691 PolarHBondContact O-N 3.35Å; K689-D692 PolarHBondContact N-OD2 2.99Å; K689-D692 VanDerWaalsContact O-CB 3.27Å; K689-D692 WeakPolarHBondContact O-CB 3.4Å; K689-D692 PolarHBondContact O-N 3.11Å; K689-I718 WeakPolarHBondContact O-CD1 3.38Å
690	I	56.4	Low	57.8	Low	67 Å²	67	39 Å²	39	34%	0.344	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-52.7	-24	173.3	-68.8	155.2	0	0	0	112.4	E611 D692 D693 I718 S720	E611-I690 HydrophobicContact CG-CG1 4.49Å; E611-I690 WeakPolarHBondContact OE1-CG1 3.16Å; E611-I690 PolarHBondContact OE1-N 3.16Å; E611-I690 VanDerWaalsContact OE2-CD1 3.28Å; E611-I690 WeakPolarHBondContact OE2-CD1 3.37Å; I690-D692 PolarHBondContact O-N 3.1Å; I690-D692 VanDerWaalsContact O-N 3.15Å; I690-D693 WeakPolarHBondContact O-CB 3.21Å; I690-D693 PolarHBondContact O-N 3.25Å; I690-I718 HydrophobicContact CG1-CG2 3.99Å; I690-S720 WeakPolarHBondContact CD1-OG 3.45Å
691	T	58.4	Low	59	Low	102 Å²	102	38.8 Å²	38.8	63%	0.626	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-64	-12.2	172	55.1	0	0	0	0	115.1	R648 K689	R648-T691 PolarHBondContact NH2-O 3.14Å; K689-T691 WeakPolarHBondContact CB-OG1 3.3Å; K689-T691 PolarHBondContact O-N 3.35Å
692	D	58.8	Low	60.1	Low	25 Å²	25	38 Å²	38	13%	0.134	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-91.1	-3	179.6	-54.5	-33.5	0	0	0	112.2	R648 P687 R688 K689 I690 Y696 I718	R648-D692 PolarHBondContact NH2-O 2.64Å; P687-D692 HydrophobicContact CB-CB 3.63Å; R688-D692 PolarHBondContact N-OD2 3.25Å; K689-D692 PolarHBondContact N-OD2 2.99Å; K689-D692 VanDerWaalsContact O-CB 3.27Å; K689-D692 WeakPolarHBondContact O-CB 3.4Å; K689-D692 PolarHBondContact O-N 3.11Å; I690-D692 PolarHBondContact O-N 3.1Å; I690-D692 VanDerWaalsContact O-N 3.15Å; D692-Y696 WeakPolarHBondContact O-CE2 3.49Å; D692-Y696 PolarHBondContact O-OH 2.92Å; D692-I718 HydrophobicContact CB-CD1 3.99Å
693	D	65.4	Low	61	Low	54 Å²	54	38.4 Å²	38.4	29%	0.289	20%	0.195	S	C	.	.			trans	-59.1	158	176.9	-103	2.4	0	0	0	114.3	R648 I690 I717 I718	R648-D693 PolarHBondContact NH2-O 3.45Å; I690-D693 WeakPolarHBondContact O-CB 3.21Å; I690-D693 PolarHBondContact O-N 3.25Å; D693-I717 VanDerWaalsContact OD1-CA 3.3Å; D693-I717 WeakPolarHBondContact OD1-CA 3.17Å; D693-I718 WeakPolarHBondContact OD1-CB 3.34Å; D693-I718 VanDerWaalsContact OD1-CG1 3.28Å; D693-I718 WeakPolarHBondContact OD1-CG1 3.34Å; D693-I718 PolarHBondContact OD1-N 2.87Å
694	G	68.1	Low	61.9	Low	20 Å²	20	43 Å²	43	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.7	-163.2	170.8	0	0	0	0	0	114.1	L716	G694-L716 PolarHBondContact N-O 2.58Å; G694-L716 PolarHBondContact O-N 3.08Å
695	Q	70.8	Confident	63.1	Low	70 Å²	70	44 Å²	44	33%	0.327	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.7	-174.4	-68.5	179.5	-2.3	0	0	112.2	R648 S649 F714	R648-Q695 CarbonylContact C-O 3.54Å; R648-Q695 WeakPolarHBondContact CA-O 3.3Å; S649-Q695 PolarHBondContact N-O 3.48Å; Q695-F714 CarbonylContact C-O 3.54Å; Q695-F714 VanDerWaalsContact CA-O 3.26Å; Q695-F714 WeakPolarHBondContact CA-O 3.25Å
696	Y	73.7	Confident	64	Low	2 Å²	2	46.7 Å²	46.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143	175.3	-70.2	-92.1	0	0	0	109.4	L617 Y647 R648 L656 I668 D692 F714 L716	L617-Y696 HydrophobicContact CD1-CD2 4.09Å; L617-Y696 HydrophobicContact CD1-CG 4.11Å; Y647-Y696 CarbonylContact O-C 3.55Å; Y647-Y696 WeakPolarHBondContact O-CA 3.39Å; R648-Y696 HydrophobicContact CB-CD1 4.49Å; R648-Y696 HydrophobicContact CB-CE1 4.36Å; R648-Y696 HydrophobicContact CG-CD1 4.45Å; R648-Y696 HydrophobicContact CG-CE1 4.07Å; R648-Y696 PolarHBondContact NE-OH 3.26Å; L656-Y696 HydrophobicContact CD1-CD1 4.16Å; L656-Y696 HydrophobicContact CD1-CE1 4.21Å; I668-Y696 HydrophobicContact CD1-CE1 4.17Å; D692-Y696 WeakPolarHBondContact O-CE2 3.49Å; D692-Y696 PolarHBondContact O-OH 2.92Å; Y696-F714 PolarHBondContact N-O 2.87Å; Y696-F714 PolarHBondContact O-N 3.35Å; Y696-L716 HydrophobicContact CD2-CB 4.32Å; Y696-L716 HydrophobicContact CE2-CB 4.22Å; Y696-L716 HydrophobicContact CE2-CD2 4.4Å
697	I	73.8	Confident	65	Low	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	179.6	-48	-179.2	0	0	0	108.8	W646 Y647 V650 R699 E711 Q712 R713	W646-I697 CarbonylContact C-O 3.57Å; W646-I697 VanDerWaalsContact CA-O 3.3Å; W646-I697 WeakPolarHBondContact CA-O 3.4Å; Y647-I697 PolarHBondContact N-O 3.1Å; Y647-I697 PolarHBondContact O-N 2.87Å; V650-I697 HydrophobicContact CG2-CD1 4.11Å; I697-R699 HydrophobicContact CG2-CG 4.2Å; I697-E711 HydrophobicContact CG2-CB 4.11Å; I697-E711 HydrophobicContact CG2-CG 4.36Å; I697-Q712 WeakPolarHBondContact CA-O 3.16Å; I697-R713 HydrophobicContact CD1-CG 4.41Å; I697-R713 HydrophobicContact CG1-CG 4.19Å; I697-R713 HydrophobicContact CG2-CG 4.2Å
698	C	75.3	Confident	66.2	Low	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.3	167.5	179.8	0	0	0	0	109.2	C619 I644 W646 E711 Q712 F714	C619-C698 HydrophobicContact CB-CB 3.59Å; C619-C698 WeakPolarHBondContact CB-SG 3.5Å; C619-C698 WeakPolarHBondContact SG-CB 3.35Å; C619-C698 CovalentContact SG-SG 2.03Å; C619-C698 PolarHBondContact SG-SG 2.71Å; I644-C698 WeakPolarHBondContact CG2-SG 3.25Å; W646-C698 HydrophobicContact CD2-CB 4.02Å; W646-C698 HydrophobicContact CE3-CB 4.2Å; W646-C698 HydrophobicContact CH2-CB 4.01Å; W646-C698 HydrophobicContact CZ2-CB 3.79Å; W646-C698 HydrophobicContact CZ3-CB 4.19Å; C698-E711 CarbonylContact O-C 3.52Å; C698-E711 WeakPolarHBondContact O-CA 3.41Å; C698-E711 WeakPolarHBondContact O-CB 3.39Å; C698-Q712 PolarHBondContact N-O 2.83Å; C698-Q712 PolarHBondContact O-N 2.85Å; C698-F714 HydrophobicContact CB-CE2 4.13Å
699	R	73.8	Confident	67	Low	42 Å²	42	48.6 Å²	48.6	16%	0.158	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.1	174.9	-69.9	-169	168.3	137.5	-0.4	110.6	I644 L645 Y647 I697 Y701 L708 E711	I644-R699 WeakPolarHBondContact CA-O 3.48Å; L645-R699 PolarHBondContact N-O 2.8Å; L645-R699 PolarHBondContact O-N 2.83Å; Y647-R699 HydrophobicContact CD2-CB 4.5Å; Y647-R699 HydrophobicContact CD2-CG 4.09Å; Y647-R699 HydrophobicContact CE2-CB 3.96Å; Y647-R699 HydrophobicContact CE2-CG 3.88Å; I697-R699 HydrophobicContact CG2-CG 4.2Å; R699-Y701 HydrophobicContact CB-CD2 4.26Å; R699-Y701 HydrophobicContact CB-CE2 3.5Å; R699-Y701 VanDerWaalsContact CB-CE2 3.5Å; R699-Y701 VanDerWaalsContact CD-OH 3.3Å; R699-Y701 WeakPolarHBondContact CD-OH 3.35Å; R699-L708 HydrophobicContact CB-CD1 3.73Å; R699-L708 HydrophobicContact CG-CD1 4.04Å; R699-E711 HydrophobicContact CG-CB 3.77Å; R699-E711 IonicContact CZ-OE2 3.59Å; R699-E711 IonicContact NE-OE2 3.57Å; R699-E711 PolarHBondContact NE-OE2 3.49Å; R699-E711 IonicContact NH2-OE2 2.7Å; R699-E711 PolarHBondContact NH2-OE2 3.04Å
700	V	73.6	Confident	67.9	Low	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126	177.8	-173.4	0	0	0	0	108.9	L621 L624 W642 S643 I644 L708 L709 G710	L621-V700 HydrophobicContact CD2-CB 4.4Å; L621-V700 HydrophobicContact CD2-CG1 3.68Å; L621-V700 HydrophobicContact CD2-CG2 3.8Å; L624-V700 HydrophobicContact CD1-CG2 3.87Å; W642-V700 HydrophobicContact CB-CG1 4.2Å; S643-V700 WeakPolarHBondContact O-CA 3.18Å; I644-V700 HydrophobicContact CD1-CG2 4.12Å; I644-V700 HydrophobicContact CG1-CG2 4.17Å; V700-L708 WeakPolarHBondContact O-CD1 3.2Å; V700-L709 HydrophobicContact CG1-CB 4.39Å; V700-L709 HydrophobicContact CG1-CD1 4.35Å; V700-L709 PolarHBondContact O-N 2.9Å; V700-G710 PolarHBondContact N-O 2.9Å
701	Y	69.4	Low	68.8	Low	50 Å²	50	43.1 Å²	43.1	20%	0.196	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.9	179.5	-64.1	-95	0	0	0	110.7	W642 S643 L645 Y647 R699 K707 L708	W642-Y701 CarbonylContact C-O 3.52Å; W642-Y701 WeakPolarHBondContact CA-O 3.5Å; W642-Y701 WeakPolarHBondContact CB-O 3.41Å; S643-Y701 PolarHBondContact N-O 2.69Å; S643-Y701 PolarHBondContact O-N 3.12Å; L645-Y701 HydrophobicContact CB-CE2 4.19Å; L645-Y701 HydrophobicContact CD1-CD2 3.98Å; L645-Y701 HydrophobicContact CD1-CE2 3.8Å; L645-Y701 HydrophobicContact CG-CE2 4.47Å; Y647-Y701 PolarHBondContact OH-OH 2.85Å; R699-Y701 HydrophobicContact CB-CD2 4.26Å; R699-Y701 HydrophobicContact CB-CE2 3.5Å; R699-Y701 VanDerWaalsContact CB-CE2 3.5Å; R699-Y701 VanDerWaalsContact CD-OH 3.3Å; R699-Y701 WeakPolarHBondContact CD-OH 3.35Å; Y701-K707 CarbonylContact C-O 3.57Å; Y701-K707 WeakPolarHBondContact CA-O 3.49Å; Y701-L708 HydrophobicContact CD1-CB 4.22Å; Y701-L708 HydrophobicContact CD1-CD1 4.15Å; Y701-L708 HydrophobicContact CD2-CD1 4.4Å; Y701-L708 HydrophobicContact CE1-CB 4.1Å; Y701-L708 HydrophobicContact CE1-CD1 3.79Å; Y701-L708 HydrophobicContact CE2-CD1 4.06Å; Y701-L708 HydrophobicContact CG-CD1 4.45Å
702	N	69.1	Low	69.4	Low	5 Å²	5	39.8 Å²	39.8	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.8	168.7	-175.2	-39.8	0	0	0	109.7	Q641 T704 T705 G706 K707 L709	Q641-N702 CarbonylContact O-C 3.56Å; Q641-N702 WeakPolarHBondContact O-CA 3.43Å; Q641-N702 PolarHBondContact O-OD1 2.89Å; N702-T704 PolarHBondContact O-N 2.88Å; N702-T704 WeakPolarHBondContact OD1-CA 3.02Å; N702-T704 PolarHBondContact OD1-N 2.87Å; N702-T704 PolarHBondContact OD1-OG1 2.99Å; N702-T705 WeakPolarHBondContact CB-OG1 3.5Å; N702-T705 VanDerWaalsContact CG-OG1 3.29Å; N702-T705 PolarHBondContact O-N 2.8Å; N702-T705 PolarHBondContact OD1-N 2.98Å; N702-G706 VanDerWaalsContact O-CA 3.32Å; N702-G706 WeakPolarHBondContact O-CA 3.49Å; N702-G706 PolarHBondContact O-N 3.33Å; N702-K707 PolarHBondContact N-O 2.83Å; N702-L709 HydrophobicContact CB-CD1 4.03Å; N702-L709 HydrophobicContact CB-CD2 4.23Å; N702-L709 HydrophobicContact CB-CG 4.16Å
703	T	62.2	Low	70	Confident	64 Å²	64	41.2 Å²	41.2	39%	0.393	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.1	-178.4	54.8	0	0	0	0	113.2	Y640 Q641	Y640-T703 PolarHBondContact O-OG1 3.18Å; Q641-T703 PolarHBondContact O-N 3.17Å; Q641-T703 PolarHBondContact O-OG1 2.66Å
704	T	64	Low	70.2	Confident	102 Å²	102	38.9 Å²	38.9	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.5	-177.8	66.7	0	0	0	0	113.7	N702	N702-T704 PolarHBondContact O-N 2.88Å; N702-T704 WeakPolarHBondContact OD1-CA 3.02Å; N702-T704 PolarHBondContact OD1-N 2.87Å; N702-T704 PolarHBondContact OD1-OG1 2.99Å
705	T	67.9	Low	70.3	Confident	88 Å²	88	39.9 Å²	39.9	54%	0.54	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-7.5	-177.5	63.4	0	0	0	0	114.5	N702 K707	N702-T705 WeakPolarHBondContact CB-OG1 3.5Å; N702-T705 VanDerWaalsContact CG-OG1 3.29Å; N702-T705 PolarHBondContact O-N 2.8Å; N702-T705 PolarHBondContact OD1-N 2.98Å; T705-K707 PolarHBondContact O-N 2.93Å; T705-K707 VanDerWaalsContact O-N 3.07Å; T705-K707 WeakPolarHBondContact OG1-CB 3.44Å
706	G	63.9	Low	70.2	Confident	56 Å²	56	36.6 Å²	36.6	58%	0.577	20%	0.202	S	C	*	.			trans	67.6	-1.5	-174.8	0	0	0	0	0	114.8	N702	N702-G706 VanDerWaalsContact O-CA 3.32Å; N702-G706 WeakPolarHBondContact O-CA 3.49Å; N702-G706 PolarHBondContact O-N 3.33Å
707	K	70.1	Confident	69.6	Low	97 Å²	97	38.9 Å²	38.9	42%	0.422	21%	0.214	S	C	.	.			trans	-71.9	133.7	-174.5	-171.1	-178.6	178.2	-173.3	0	111.2	E628 Y701 N702 T705 L709	E628-K707 IonicContact OE1-NZ 2.72Å; E628-K707 PolarHBondContact OE1-NZ 2.74Å; E628-K707 IonicContact OE2-NZ 2.6Å; E628-K707 PolarHBondContact OE2-NZ 2.83Å; Y701-K707 CarbonylContact C-O 3.57Å; Y701-K707 WeakPolarHBondContact CA-O 3.49Å; N702-K707 PolarHBondContact N-O 2.83Å; T705-K707 PolarHBondContact O-N 2.93Å; T705-K707 VanDerWaalsContact O-N 3.07Å; T705-K707 WeakPolarHBondContact OG1-CB 3.44Å; K707-L709 PolarHBondContact O-N 2.92Å
708	L	72.5	Confident	69	Low	72 Å²	72	39.2 Å²	39.2	38%	0.377	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	122.9	168.3	-175.8	74	0	0	0	109.2	R699 V700 Y701	R699-L708 HydrophobicContact CB-CD1 3.73Å; R699-L708 HydrophobicContact CG-CD1 4.04Å; V700-L708 WeakPolarHBondContact O-CD1 3.2Å; Y701-L708 HydrophobicContact CD1-CB 4.22Å; Y701-L708 HydrophobicContact CD1-CD1 4.15Å; Y701-L708 HydrophobicContact CD2-CD1 4.4Å; Y701-L708 HydrophobicContact CE1-CB 4.1Å; Y701-L708 HydrophobicContact CE1-CD1 3.79Å; Y701-L708 HydrophobicContact CE2-CD1 4.06Å; Y701-L708 HydrophobicContact CG-CD1 4.45Å
709	L	68.6	Low	67.8	Low	18 Å²	18	43.2 Å²	43.2	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-27.7	177.6	-62.1	176.8	0	0	0	112.1	L625 T627 W642 V700 N702 K707	L625-L709 HydrophobicContact CD2-CB 4.28Å; L625-L709 HydrophobicContact CD2-CD1 4.15Å; T627-L709 PolarHBondContact OG1-O 2.94Å; W642-L709 HydrophobicContact CB-CD1 4.44Å; W642-L709 HydrophobicContact CD2-CD1 4.14Å; W642-L709 HydrophobicContact CG-CD1 3.73Å; V700-L709 HydrophobicContact CG1-CB 4.39Å; V700-L709 HydrophobicContact CG1-CD1 4.35Å; V700-L709 PolarHBondContact O-N 2.9Å; N702-L709 HydrophobicContact CB-CD1 4.03Å; N702-L709 HydrophobicContact CB-CD2 4.23Å; N702-L709 HydrophobicContact CB-CG 4.16Å; K707-L709 PolarHBondContact O-N 2.92Å
710	G	69.5	Low	66.5	Low	12 Å²	12	42.6 Å²	42.6	12%	0.124	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	164.8	172.2	0	0	0	0	0	113.1	L624 V700	L624-G710 VanDerWaalsContact CD2-C 3.44Å; V700-G710 PolarHBondContact N-O 2.9Å
711	E	75.6	Confident	65.3	Low	25 Å²	25	47.3 Å²	47.3	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149	167.3	80	170.7	-139.5	0	0	112.7	L602 L624 I697 C698 R699 R713	L602-E711 HydrophobicContact CD1-CG 3.86Å; L602-E711 HydrophobicContact CD2-CG 3.98Å; L602-E711 HydrophobicContact CG-CG 4.44Å; L624-E711 VanDerWaalsContact CD2-C 3.4Å; I697-E711 HydrophobicContact CG2-CB 4.11Å; I697-E711 HydrophobicContact CG2-CG 4.36Å; C698-E711 CarbonylContact O-C 3.52Å; C698-E711 WeakPolarHBondContact O-CA 3.41Å; C698-E711 WeakPolarHBondContact O-CB 3.39Å; R699-E711 HydrophobicContact CG-CB 3.77Å; R699-E711 IonicContact CZ-OE2 3.59Å; R699-E711 IonicContact NE-OE2 3.57Å; R699-E711 PolarHBondContact NE-OE2 3.49Å; R699-E711 IonicContact NH2-OE2 2.7Å; R699-E711 PolarHBondContact NH2-OE2 3.04Å; E711-R713 IonicContact OE1-CZ 2.95Å; E711-R713 IonicContact OE1-NE 2.75Å; E711-R713 PolarHBondContact OE1-NE 2.8Å; E711-R713 IonicContact OE1-NH2 3.18Å; E711-R713 PolarHBondContact OE1-NH2 2.83Å
712	Q	70.6	Confident	63.9	Low	31 Å²	31	48.2 Å²	48.2	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.9	178.4	-173.3	163.8	46	0	0	108.6	I605 S623 L624 I697 C698 F714	I605-Q712 HydrophobicContact CD1-CG 3.9Å; S623-Q712 PolarHBondContact OG-NE2 2.96Å; L624-Q712 HydrophobicContact CD1-CB 4.3Å; L624-Q712 HydrophobicContact CD2-CB 4.05Å; L624-Q712 HydrophobicContact CG-CB 4.41Å; I697-Q712 WeakPolarHBondContact CA-O 3.16Å; C698-Q712 PolarHBondContact N-O 2.83Å; C698-Q712 PolarHBondContact O-N 2.85Å; Q712-F714 HydrophobicContact CB-CE2 4.22Å; Q712-F714 HydrophobicContact CB-CZ 4.47Å; Q712-F714 HydrophobicContact CG-CE1 4.44Å; Q712-F714 HydrophobicContact CG-CE2 3.88Å; Q712-F714 HydrophobicContact CG-CZ 3.72Å
713	R	71.8	Confident	62.2	Low	56 Å²	56	52.7 Å²	52.7	21%	0.211	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.8	-174.9	-62.9	-171.4	179.3	-176.4	0.9	111	L602 T604 I605 I697 E711	L602-R713 HydrophobicContact CB-CG 4.37Å; T604-R713 HydrophobicContact CG2-CB 4.29Å; I605-R713 PolarHBondContact N-O 2.92Å; I697-R713 HydrophobicContact CD1-CG 4.41Å; I697-R713 HydrophobicContact CG1-CG 4.19Å; I697-R713 HydrophobicContact CG2-CG 4.2Å; E711-R713 IonicContact OE1-CZ 2.95Å; E711-R713 IonicContact OE1-NE 2.75Å; E711-R713 PolarHBondContact OE1-NE 2.8Å; E711-R713 IonicContact OE1-NH2 3.18Å; E711-R713 PolarHBondContact OE1-NH2 2.83Å
714	F	69.7	Low	60.8	Low	5 Å²	5	56.4 Å²	56.4	2%	0.022	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	178	-55	-93	0	0	0	110.6	I605 L617 C619 W646 Q695 Y696 C698 Q712	I605-F714 HydrophobicContact CB-CD1 3.79Å; I605-F714 HydrophobicContact CB-CE1 4.23Å; I605-F714 HydrophobicContact CD1-CD1 4.31Å; I605-F714 HydrophobicContact CD1-CE1 3.9Å; I605-F714 HydrophobicContact CD1-CZ 4.49Å; I605-F714 HydrophobicContact CG2-CD1 4.03Å; I605-F714 HydrophobicContact CG2-CE1 4.32Å; I605-F714 CarbonylContact O-C 3.55Å; I605-F714 WeakPolarHBondContact O-CA 3.17Å; L617-F714 HydrophobicContact CD1-CB 4.32Å; L617-F714 HydrophobicContact CD2-CB 3.79Å; L617-F714 HydrophobicContact CD2-CD1 3.6Å; L617-F714 HydrophobicContact CD2-CE1 4.38Å; L617-F714 HydrophobicContact CD2-CG 3.86Å; C619-F714 HydrophobicContact CB-CZ 4.46Å; W646-F714 AromaticContact CH2-CD2 3.87Å; W646-F714 HydrophobicContact CH2-CD2 3.87Å; W646-F714 AromaticContact CH2-CE2 3.5Å; W646-F714 HydrophobicContact CH2-CE2 3.5Å; W646-F714 VanDerWaalsContact CH2-CE2 3.5Å; W646-F714 HydrophobicContact CH2-CZ 4.13Å; W646-F714 HydrophobicContact CZ2-CE2 4.46Å; W646-F714 AromaticContact CZ3-CD2 3.71Å; W646-F714 HydrophobicContact CZ3-CD2 3.71Å; W646-F714 AromaticContact CZ3-CE2 3.79Å; W646-F714 HydrophobicContact CZ3-CE2 3.79Å; Q695-F714 CarbonylContact C-O 3.54Å; Q695-F714 VanDerWaalsContact CA-O 3.26Å; Q695-F714 WeakPolarHBondContact CA-O 3.25Å; Y696-F714 PolarHBondContact N-O 2.87Å; Y696-F714 PolarHBondContact O-N 3.35Å; C698-F714 HydrophobicContact CB-CE2 4.13Å; Q712-F714 HydrophobicContact CB-CE2 4.22Å; Q712-F714 HydrophobicContact CB-CZ 4.47Å; Q712-F714 HydrophobicContact CG-CE1 4.44Å; Q712-F714 HydrophobicContact CG-CE2 3.88Å; Q712-F714 HydrophobicContact CG-CZ 3.72Å
715	Q	71.5	Confident	59.4	Low	41 Å²	41	57.1 Å²	57.1	19%	0.192	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.5	168.4	176.5	78.3	59.4	0	0	106.4	T604 I605 F606 E607 I717	T604-Q715 HydrophobicContact CG2-CB 3.7Å; I605-Q715 PolarHBondContact O-N 3.2Å; F606-Q715 WeakPolarHBondContact CA-O 3.36Å; F606-Q715 HydrophobicContact CD1-CB 3.72Å; F606-Q715 HydrophobicContact CD1-CG 3.66Å; F606-Q715 HydrophobicContact CE1-CB 3.87Å; F606-Q715 HydrophobicContact CE1-CG 3.68Å; F606-Q715 HydrophobicContact CG-CB 4.25Å; E607-Q715 PolarHBondContact N-O 3.03Å; Q715-I717 HydrophobicContact CG-CD1 4.36Å; Q715-I717 HydrophobicContact CG-CG1 4.12Å
716	L	67.9	Low	57.6	Low	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.3	169.4	-172.7	72.7	0	0	0	109.1	E607 T609 P687 G694 Y696 I718	E607-L716 HydrophobicContact CB-CD1 4.04Å; T609-L716 HydrophobicContact CG2-CD1 4.35Å; P687-L716 HydrophobicContact CB-CD2 3.45Å; P687-L716 VanDerWaalsContact CB-CD2 3.45Å; P687-L716 HydrophobicContact CG-CD1 4.13Å; P687-L716 HydrophobicContact CG-CD2 3.5Å; P687-L716 VanDerWaalsContact CG-CD2 3.5Å; P687-L716 HydrophobicContact CG-CG 4.46Å; G694-L716 PolarHBondContact N-O 2.58Å; G694-L716 PolarHBondContact O-N 3.08Å; Y696-L716 HydrophobicContact CD2-CB 4.32Å; Y696-L716 HydrophobicContact CE2-CB 4.22Å; Y696-L716 HydrophobicContact CE2-CD2 4.4Å; L716-I718 HydrophobicContact CD2-CD1 3.83Å; L716-I718 HydrophobicContact CD2-CG1 3.93Å; L716-I718 HydrophobicContact CG-CG1 4.1Å
717	I	61.6	Low	56	Low	51 Å²	51	60.6 Å²	60.6	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	113.1	172.7	-59.5	179.8	0	0	0	108.2	F606 E607 H608 T609 D693 Q715 E719	F606-I717 HydrophobicContact CD1-CD1 4Å; E607-I717 PolarHBondContact O-N 2.91Å; H608-I717 WeakPolarHBondContact CA-O 3.4Å; T609-I717 PolarHBondContact N-O 2.93Å; D693-I717 VanDerWaalsContact OD1-CA 3.3Å; D693-I717 WeakPolarHBondContact OD1-CA 3.17Å; Q715-I717 HydrophobicContact CG-CD1 4.36Å; Q715-I717 HydrophobicContact CG-CG1 4.12Å; I717-E719 HydrophobicContact CG2-CG 4.43Å
718	I	61.1	Low	54	Low	8 Å²	8	64.2 Å²	64.2	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	101.1	178.9	-60.8	166.4	0	0	0	108	T609 E611 P687 K689 I690 D692 D693 L716 S720	T609-I718 CarbonylContact O-C 3.53Å; T609-I718 WeakPolarHBondContact O-CA 3.36Å; E611-I718 HydrophobicContact CB-CG2 3.88Å; E611-I718 HydrophobicContact CG-CG2 4.45Å; P687-I718 HydrophobicContact CB-CD1 4.11Å; K689-I718 WeakPolarHBondContact O-CD1 3.38Å; I690-I718 HydrophobicContact CG1-CG2 3.99Å; D692-I718 HydrophobicContact CB-CD1 3.99Å; D693-I718 WeakPolarHBondContact OD1-CB 3.34Å; D693-I718 VanDerWaalsContact OD1-CG1 3.28Å; D693-I718 WeakPolarHBondContact OD1-CG1 3.34Å; D693-I718 PolarHBondContact OD1-N 2.87Å; L716-I718 HydrophobicContact CD2-CD1 3.83Å; L716-I718 HydrophobicContact CD2-CG1 3.93Å; L716-I718 HydrophobicContact CG-CG1 4.1Å; I718-S720 PolarHBondContact O-N 3.42Å; I718-S720 VanDerWaalsContact O-N 3.14Å
719	E	48.8	Very low	51.9	Low	84 Å²	84	66.6 Å²	66.6	39%	0.393	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	112.2	179	-70.4	179.7	-164	0	0	110.1	H608 T609 I717 I721	H608-E719 IonicContact CE1-OE1 2.73Å; H608-E719 IonicContact CG-OE1 2.72Å; H608-E719 IonicContact ND1-OE1 2.94Å; H608-E719 PolarHBondContact ND1-OE1 2.86Å; T609-E719 PolarHBondContact O-N 2.8Å; I717-E719 HydrophobicContact CG2-CG 4.43Å; E719-I721 PolarHBondContact O-N 2.85Å
720	S	47.2	Very low	49.9	Very low	30 Å²	30	72.7 Å²	72.7	21%	0.21	37%	0.365	C	S	.	.			trans	-72.1	122.9	172.6	-168.8	0	0	0	0	110.1	I690 I718 N722 N723	I690-S720 WeakPolarHBondContact CD1-OG 3.45Å; I718-S720 PolarHBondContact O-N 3.42Å; I718-S720 VanDerWaalsContact O-N 3.14Å; S720-N722 PolarHBondContact O-N 3.22Å; S720-N723 PolarHBondContact O-N 3.31Å
721	I	48.1	Very low	47.7	Very low	99 Å²	99	80.8 Å²	80.8	51%	0.508	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.8	178.3	-58.7	170.7	0	0	0	112.2	E719	E719-I721 PolarHBondContact O-N 2.85Å
722	N	40.2	Very low	45.4	Very low	68 Å²	68	86.1 Å²	86.1	36%	0.364	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.1	-176.3	-64.3	-96.1	0	0	0	115.1	S720 D724 N829	S720-N722 PolarHBondContact O-N 3.22Å; N722-D724 PolarHBondContact O-N 2.85Å; N722-N829 PolarHBondContact OD1-ND2 2.98Å
723	N	32.9	Very low	43.1	Very low	100 Å²	100	94.9 Å²	94.9	54%	0.535	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-75	-16.3	-167.5	-105.9	-24.8	0	0	0	116.1	S720 E725 N726	S720-N723 PolarHBondContact O-N 3.31Å; N723-E725 PolarHBondContact O-N 2.96Å; N723-N726 PolarHBondContact O-N 3.31Å; N723-N726 VanDerWaalsContact O-N 3.1Å; N723-N726 PolarHBondContact OD1-ND2 3.26Å
724	D	33.5	Very low	40.9	Very low	141 Å²	141	99.6 Å²	99.6	75%	0.754	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22.6	175.8	-79.1	-7.2	0	0	0	113.4	N722 N726	N722-D724 PolarHBondContact O-N 2.85Å; D724-N726 PolarHBondContact O-N 3.31Å
725	E	34.4	Very low	38.9	Very low	118 Å²	118	107.4 Å²	107.4	55%	0.551	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-65.6	-22	175.3	-76.7	-147.7	124.8	0	0	113.7	N723 H728 K729	N723-E725 PolarHBondContact O-N 2.96Å; E725-H728 PolarHBondContact O-N 2.98Å; E725-K729 PolarHBondContact O-N 2.95Å; E725-K729 IonicContact OE1-NZ 3.19Å; E725-K729 PolarHBondContact OE1-NZ 3.34Å; E725-K729 VanDerWaalsContact OE1-NZ 3.16Å; E725-K729 IonicContact OE2-NZ 2.76Å; E725-K729 PolarHBondContact OE2-NZ 3.19Å
726	N	30.5	Very low	36.7	Very low	89 Å²	89	111.1 Å²	111.1	48%	0.476	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-81.3	-17.7	-174.2	-76.9	-44.6	0	0	0	114	N723 D724 H728	N723-N726 PolarHBondContact O-N 3.31Å; N723-N726 VanDerWaalsContact O-N 3.1Å; N723-N726 PolarHBondContact OD1-ND2 3.26Å; D724-N726 PolarHBondContact O-N 3.31Å; N726-H728 VanDerWaalsContact C-N 3.3Å
727	I	30.5	Very low	34.5	Very low	127 Å²	127	120.4 Å²	120.4	65%	0.651	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-26.7	170.5	-66.2	178.7	0	0	0	110.9
728	H	28	Very low	32.9	Very low	173 Å²	173	124.6 Å²	124.6	80%	0.801	61%	0.612	S	S	*	*	S	Bend	trans	-95.8	-2.8	179.5	-102.1	-51	0	0	0	116	E725 N726	E725-H728 PolarHBondContact O-N 2.98Å; N726-H728 VanDerWaalsContact C-N 3.3Å
729	K	27.8	Very low	31	Very low	122 Å²	122	129.4 Å²	129.4	53%	0.53	64%	0.642	S	S	.	*	S	Bend	trans	-107.1	-1.1	-177.7	-74	171.8	-175.8	172.8	0	115.6	E725	E725-K729 PolarHBondContact O-N 2.95Å; E725-K729 IonicContact OE1-NZ 3.19Å; E725-K729 PolarHBondContact OE1-NZ 3.34Å; E725-K729 VanDerWaalsContact OE1-NZ 3.16Å; E725-K729 IonicContact OE2-NZ 2.76Å; E725-K729 PolarHBondContact OE2-NZ 3.19Å
730	N	26.1	Very low	29.8	Very low	147 Å²	147	135 Å²	135	79%	0.786	67%	0.665	S	S	*	*	S	Bend	trans	-98.1	1.2	177.1	-83.1	-35.3	0	0	0	115.2
731	F	25	Very low	28.8	Very low	181 Å²	181	139 Å²	139	79%	0.794	69%	0.693	S	S	*	*	S	Bend	trans	-87.8	113	165.6	-94.9	-85.4	0	0	0	111.1
732	I	27.3	Very low	27.7	Very low	138 Å²	138	140 Å²	140	71%	0.708	71%	0.709	S	S	*	*			trans	69.1	87	166	-46.8	177.2	0	0	0	115.1	H734	I732-H734 HydrophobicContact CG2-CB 4.41Å
733	K	22.3	Very low	27	Very low	214 Å²	214	144.5 Å²	144.5	93%	0.93	73%	0.732	S	S	*	*			trans	-106.1	59.9	147.2	-103.3	-173.8	178.1	176.8	0	111.4
734	H	24.6	Very low	26.5	Very low	156 Å²	156	144.2 Å²	144.2	72%	0.722	74%	0.738	S	S	*	*			trans	-108.4	123.8	146	-88.1	-93.4	0	0	0	104.7	I732	I732-H734 HydrophobicContact CG2-CB 4.41Å
735	E	27.4	Very low	26.1	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	74%	0.737	S	S	*	*			cis	-140.5	176.4	14.1	-61.6	-173.8	118.6	0	0	114.1
736	T	25.9	Very low	25.8	Very low	119 Å²	119	145 Å²	145	73%	0.73	75%	0.753	S	S	*	*			trans	-35	130.4	170	41	0	0	0	0	116.6
737	F	22.2	Very low	25.4	Very low	195 Å²	195	145.2 Å²	145.2	86%	0.855	76%	0.761	S	S	*	*				83.6	145.1	78.9	-107.8	-83	0	0	0	115.7
738	L	26.4	Very low	25	Very low	139 Å²	139	143.9 Å²	143.9	73%	0.728	76%	0.763	S	S	*	*			trans	77.4	86.9	163.7	-61.8	176.5	0	0	0	121.7
739	T	23.1	Very low	25	Very low	109 Å²	109	144.7 Å²	144.7	67%	0.669	77%	0.767	S	S	*	*				48.1	133.9	118.2	59.9	0	0	0	0	123.5
740	K	23.6	Very low	25	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	77%	0.769	S	S	*	*			trans	69.4	139	153.5	-66	168.8	-177.1	178.4	0	115.4
741	S	24.6	Very low	25	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	77%	0.77	S	S	*	*			cis	-168.1	141.8	9.7	44.4	0	0	0	0	113.1
742	S	25.4	Very low	25.2	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	77%	0.769	S	S	*	*			trans	-164.1	130.3	142	55.6	0	0	0	0	109.9
743	L	25.6	Very low	25.3	Very low	162 Å²	162	142 Å²	142	85%	0.848	77%	0.767	S	S	*	*			trans	-89.6	171.4	177.6	-137.7	74.7	0	0	0	110.9
744	S	23.3	Very low	25.5	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	76%	0.76	S	S	*	*			trans	6.4	140.3	150.6	56.3	0	0	0	0	119
745	S	23.6	Very low	25.5	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	76%	0.757	S	S	*	*			cis	175.6	160.3	9.4	43.3	0	0	0	0	109.3
746	I	28.1	Very low	25.8	Very low	171 Å²	171	140.2 Å²	140.2	88%	0.877	76%	0.759	S	S	*	*			trans	-171.8	158.5	140.1	-101	152.2	0	0	0	109.3
747	S	23	Very low	25.9	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	76%	0.761	S	S	*	*			trans	-97.8	167.9	-173.8	57.8	0	0	0	0	113.8
748	S	22.9	Very low	26.1	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	75%	0.753	S	S	*	*			trans	45.2	108.3	141.9	61.2	0	0	0	0	119.6
749	E	26.3	Very low	26.1	Very low	190 Å²	190	137.4 Å²	137.4	89%	0.888	76%	0.755	S	S	*	*			trans	-163.6	137.6	132.7	-116.2	170.2	-144.5	0	0	112
750	I	27.7	Very low	26.2	Very low	111 Å²	111	141.6 Å²	141.6	57%	0.569	76%	0.758	S	S	*	*			trans	-131	116.8	165	-62.2	176.1	0	0	0	107.9
751	P	27.6	Very low	26.2	Very low	124 Å²	124	140 Å²	140	81%	0.805	76%	0.759	S	S	*	*			trans	-88	125	164.3	32.3	-29.4	0	0	0	110.2
752	N	29.2	Very low	26.3	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	76%	0.757	S	S	*	*			trans	-114.8	116	-166.5	-143.8	-15.7	0	0	0	112.1
753	K	28.7	Very low	26.2	Very low	150 Å²	150	144.9 Å²	144.9	65%	0.652	76%	0.756	S	S	*	*			trans	164.5	152.8	153.9	-95.6	-177.2	-179.6	-148.8	0	109.7	E755	K753-E755 HydrophobicContact CD-CG 4.21Å; K753-E755 WeakPolarHBondContact CE-OE1 3.44Å; K753-E755 HydrophobicContact CG-CG 4.14Å; K753-E755 IonicContact NZ-OE1 2.72Å; K753-E755 PolarHBondContact NZ-OE1 2.97Å
754	Y	27.3	Very low	26.2	Very low	202 Å²	202	143.7 Å²	143.7	79%	0.792	75%	0.751	S	S	*	*			cis	-117.6	123	21.3	-71.7	-100	0	0	0	111.2
755	E	24.5	Very low	26.4	Very low	139 Å²	139	146.6 Å²	146.6	65%	0.65	76%	0.758	S	S	*	*				93.6	139.8	85.2	-75.8	-168.9	171.3	0	0	115.2	K753	K753-E755 HydrophobicContact CD-CG 4.21Å; K753-E755 WeakPolarHBondContact CE-OE1 3.44Å; K753-E755 HydrophobicContact CG-CG 4.14Å; K753-E755 IonicContact NZ-OE1 2.72Å; K753-E755 PolarHBondContact NZ-OE1 2.97Å
756	L	33.4	Very low	26.5	Very low	159 Å²	159	147.6 Å²	147.6	83%	0.832	76%	0.76	S	S	*	*			trans	-154.1	140.5	-178.1	-155.5	178.7	0	0	0	105.8
757	P	27.5	Very low	26.5	Very low	120 Å²	120	146 Å²	146	78%	0.779	75%	0.752	S	S	*	*			trans	-121.7	134.3	162.7	33	-21	0	0	0	113.5
758	S	27.2	Very low	26.6	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	76%	0.76	S	S	*	*			trans	-81.9	179.5	160.5	67.6	0	0	0	0	109.7
759	K	25.9	Very low	26.8	Very low	177 Å²	177	155 Å²	155	77%	0.77	77%	0.77	S	S	*	*			cis	-169.1	156.7	32	-141.7	163.5	-167.3	171.4	0	110.2
760	R	24.5	Very low	26.8	Very low	198 Å²	198	151.3 Å²	151.3	75%	0.747	76%	0.76	S	S	*	*			trans	37.9	129	155.7	-79.5	-178.7	174.2	168.1	-3.8	120.1
761	N	24.5	Very low	27	Very low	167 Å²	167	155 Å²	155	89%	0.893	78%	0.776	S	S	*	*				-147.3	152	105.4	-120	-0.8	0	0	0	111.4
762	E	25.7	Very low	27.4	Very low	159 Å²	159	157.8 Å²	157.8	74%	0.743	78%	0.775	S	S	*	*			trans	-100.6	123.8	177.1	-68.6	163.4	128.8	0	0	109.2
763	Q	24.8	Very low	27.9	Very low	178 Å²	178	154.8 Å²	154.8	83%	0.832	76%	0.763	S	S	*	*			trans	-159.5	119.4	156.5	-115.3	170.8	26	0	0	112
764	N	24.8	Very low	29.3	Very low	138 Å²	138	154.1 Å²	154.1	74%	0.738	76%	0.763	S	S	*	*			trans	46.5	71.7	145.5	-56.4	-12.9	0	0	0	118.5
765	L	27.2	Very low	31.2	Very low	155 Å²	155	146.3 Å²	146.3	81%	0.812	73%	0.734	S	S	*	*			trans	-99.3	100.4	137.3	-129.6	80.6	0	0	0	109	L767	L765-L767 HydrophobicContact CB-CD1 4.44Å; L765-L767 HydrophobicContact CD2-CD1 3.93Å; L765-L767 PolarHBondContact O-N 3.11Å
766	V	25.7	Very low	33.2	Very low	126 Å²	126	145.3 Å²	145.3	76%	0.764	73%	0.727	S	S	*	*			trans	-74.9	78.7	171.6	-176.4	0	0	0	0	108.4	K768	V766-K768 PolarHBondContact O-N 3.23Å
767	L	28.3	Very low	35.2	Very low	138 Å²	138	138.4 Å²	138.4	72%	0.723	69%	0.692	S	S	*	*			trans	-63.1	122.2	152.5	-89.4	86.4	0	0	0	106.7	L765 Q769	L765-L767 HydrophobicContact CB-CD1 4.44Å; L765-L767 HydrophobicContact CD2-CD1 3.93Å; L765-L767 PolarHBondContact O-N 3.11Å; L767-Q769 PolarHBondContact O-N 2.84Å
768	K	25.8	Very low	37.7	Very low	187 Å²	187	133.8 Å²	133.8	81%	0.813	66%	0.662	S	S	*	*			trans	-50.9	131.8	174.2	-71.3	-178.5	174.9	-178.7	0	109.3	V766 T770	V766-K768 PolarHBondContact O-N 3.23Å; K768-T770 PolarHBondContact O-N 2.94Å
769	Q	25.9	Very low	40.2	Very low	192 Å²	192	134.8 Å²	134.8	90%	0.897	65%	0.651	S	S	*	*			trans	-69.1	80.7	169	-72.1	175.7	-28.8	0	0	109.3	L767 E771	L767-Q769 PolarHBondContact O-N 2.84Å; Q769-E771 PolarHBondContact O-N 3.1Å
770	T	27.2	Very low	42.7	Very low	113 Å²	113	126.7 Å²	126.7	69%	0.693	62%	0.617	S	S	*	*			trans	-69	116.1	150.6	52.9	0	0	0	0	106.5	K768 K772	K768-T770 PolarHBondContact O-N 2.94Å; T770-K772 PolarHBondContact O-N 3.11Å
771	E	31.3	Very low	45.1	Very low	190 Å²	190	122.5 Å²	122.5	89%	0.888	61%	0.608	S	S	*	*			trans	-57.3	104.4	-178.6	-63.4	178.5	117.7	0	0	110.3	Q769 P773	Q769-E771 PolarHBondContact O-N 3.1Å; E771-P773 WeakPolarHBondContact O-CD 3.46Å
772	K	35.6	Very low	47.3	Very low	182 Å²	182	116 Å²	116	79%	0.791	58%	0.575	S	S	*	*			trans	-73.7	120.7	169.3	-73.3	-171.8	177.1	-176.8	0	107.3	T770 Q774	T770-K772 PolarHBondContact O-N 3.11Å; K772-Q774 PolarHBondContact O-N 2.78Å; K772-Q774 VanDerWaalsContact O-N 3.15Å
773	P	40.9	Very low	49.3	Very low	83 Å²	83	115.4 Å²	115.4	54%	0.539	57%	0.57	S	S	.	*			trans	-60.7	123.8	176.1	25	-32.9	0	0	0	108.8	E771 I775 H800	E771-P773 WeakPolarHBondContact O-CD 3.46Å; P773-I775 PolarHBondContact O-N 3.45Å; P773-H800 HydrophobicContact CB-CB 3.78Å
774	Q	57.4	Low	50.9	Low	137 Å²	137	109.2 Å²	109.2	64%	0.64	54%	0.539	S	S	*	.			trans	-69.5	101.5	173.4	-74.7	-171.6	-7.3	0	0	108.7	K772 K776	K772-Q774 PolarHBondContact O-N 2.78Å; K772-Q774 VanDerWaalsContact O-N 3.15Å; Q774-K776 PolarHBondContact O-N 2.95Å; Q774-K776 VanDerWaalsContact OE1-CE 3.26Å
775	I	66.3	Low	52.2	Low	38 Å²	38	106.9 Å²	106.9	20%	0.195	53%	0.526	C	S	.	.			trans	-61.7	123.6	172.2	-53.6	179.9	0	0	0	107.5	P773 V798 Y799 H878 L880	P773-I775 PolarHBondContact O-N 3.45Å; I775-V798 HydrophobicContact CG2-CG1 3.93Å; I775-Y799 WeakPolarHBondContact CA-O 3.13Å; I775-H878 WeakPolarHBondContact CD1-CE1 3.46Å; I775-L880 HydrophobicContact CB-CD1 4.36Å; I775-L880 HydrophobicContact CG2-CD1 4.4Å; I775-L880 WeakPolarHBondContact O-CD1 3.49Å
776	K	67.4	Low	53.3	Low	117 Å²	117	100.8 Å²	100.8	51%	0.509	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.9	-177.4	-74.2	175.6	-177.7	174.1	0	109.4	Q774 Y799	Q774-K776 PolarHBondContact O-N 2.95Å; Q774-K776 VanDerWaalsContact OE1-CE 3.26Å; K776-Y799 HydrophobicContact CB-CD2 4.35Å; K776-Y799 PolarHBondContact N-O 3Å; K776-Y799 WeakPolarHBondContact O-CD2 3.34Å; K776-Y799 PolarHBondContact O-N 3.09Å
777	V	75.9	Confident	54.5	Low	15 Å²	15	101.4 Å²	101.4	9%	0.091	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.5	174.5	-173.4	0	0	0	0	107.7	V798 V875 L880	V777-V798 HydrophobicContact CG1-CG2 4.5Å; V777-V798 HydrophobicContact CG2-CG1 4.47Å; V777-V798 HydrophobicContact CG2-CG2 4.39Å; V777-V875 HydrophobicContact CG1-CG2 4.32Å; V777-V875 HydrophobicContact CG2-CG2 3.57Å; V777-L880 HydrophobicContact CG2-CB 4.21Å; V777-L880 HydrophobicContact CG2-CD2 4.17Å
778	S	78.9	Confident	55.6	Low	22 Å²	22	99.1 Å²	99.1	15%	0.154	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-62.9	156.3	178.2	83	0	0	0	0	111.1	W796 T797 S882	S778-W796 WeakPolarHBondContact OG-CA 3.24Å; S778-T797 WeakPolarHBondContact CB-OG1 3.47Å; S778-T797 PolarHBondContact N-O 2.85Å; S778-T797 PolarHBondContact OG-N 2.91Å; S778-S882 WeakPolarHBondContact O-CB 3.31Å
779	R	79.4	Confident	56.8	Low	118 Å²	118	91.8 Å²	91.8	45%	0.445	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-57.2	132	156.3	-168.8	174.8	-155.4	-157.8	1	107.5	P883 W884 E886	R779-P883 HydrophobicContact CB-CB 4.19Å; R779-P883 HydrophobicContact CB-CG 4.29Å; R779-P883 HydrophobicContact CG-CB 4.15Å; R779-W884 PolarHBondContact NE-O 2.95Å; R779-W884 PolarHBondContact NH2-O 2.91Å; R779-E886 IonicContact CZ-OE1 3.34Å; R779-E886 VanDerWaalsContact NH1-CG 3.29Å; R779-E886 IonicContact NH1-OE1 2.65Å; R779-E886 PolarHBondContact NH1-OE1 2.94Å
780	P	78.5	Confident	58.3	Low	8 Å²	8	83.5 Å²	83.5	5%	0.052	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-67.4	144.5	175.7	-16.3	29.4	0	0	0	109.9	I794 K795 W796 V873 S882 P883 T885	P780-I794 HydrophobicContact CB-CG2 4.05Å; P780-K795 CarbonylContact C-O 3.54Å; P780-K795 WeakPolarHBondContact CA-O 3.16Å; P780-W796 HydrophobicContact CB-CB 4.43Å; P780-V873 HydrophobicContact CG-CG2 4.18Å; P780-S882 WeakPolarHBondContact CD-OG 3.22Å; P780-S882 WeakPolarHBondContact CG-OG 3.35Å; P780-P883 VanDerWaalsContact CD-O 3.25Å; P780-P883 WeakPolarHBondContact CD-O 3.47Å; P780-T885 HydrophobicContact CB-CG2 3.66Å; P780-T885 HydrophobicContact CG-CG2 3.89Å; P780-T885 WeakPolarHBondContact O-CG2 3.37Å
781	I	74.9	Confident	59.7	Low	110 Å²	110	78.1 Å²	78.1	56%	0.564	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.7	170.7	-59.4	174.6	0	0	0	106.6	I794 K795	I781-I794 CarbonylContact O-C 3.59Å; I781-I794 WeakPolarHBondContact O-CA 3.36Å; I781-K795 PolarHBondContact N-O 2.84Å; I781-K795 PolarHBondContact O-N 3.47Å
782	V	72.2	Confident	61.1	Low	31 Å²	31	69 Å²	69	19%	0.188	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	-176.8	-173.8	0	0	0	0	110.3	V792 H793 I794 L871 T885 V888	V782-V792 HydrophobicContact CG1-CG1 3.23Å; V782-H793 WeakPolarHBondContact CA-O 3.24Å; V782-I794 HydrophobicContact CG1-CG1 4.28Å; V782-I794 HydrophobicContact CG2-CG1 4.24Å; V782-I794 HydrophobicContact CG2-CG2 4.15Å; V782-L871 HydrophobicContact CG1-CD1 3.87Å; V782-L871 HydrophobicContact CG2-CD1 4.03Å; V782-T885 HydrophobicContact CG2-CG2 3.43Å; V782-T885 VanDerWaalsContact CG2-CG2 3.43Å; V782-V888 HydrophobicContact CB-CG2 4.19Å; V782-V888 HydrophobicContact CG1-CG2 3.38Å
783	K	66.4	Low	62.5	Low	146 Å²	146	62.1 Å²	62.1	64%	0.635	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.5	174.8	-66.4	-171.3	176	-174.4	0	110.8	V792 H793	K783-V792 WeakPolarHBondContact O-CA 3.42Å; K783-H793 PolarHBondContact N-O 2.79Å; K783-H793 PolarHBondContact O-N 3.25Å
784	R	59.8	Low	63.8	Low	48 Å²	48	58.1 Å²	58.1	18%	0.181	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.4	162.3	-70.8	175.6	69	-167.9	-2.9	108.8	A786 N787 T789 A791 V792 V888 N889 F890	R784-A786 VanDerWaalsContact C-N 3.33Å; R784-N787 VanDerWaalsContact CZ-O 3.3Å; R784-N787 PolarHBondContact NH1-O 2.93Å; R784-N787 PolarHBondContact NH2-O 2.56Å; R784-T789 VanDerWaalsContact CZ-O 3.31Å; R784-T789 PolarHBondContact NE-O 3.2Å; R784-T789 PolarHBondContact NH2-O 3.42Å; R784-A791 WeakPolarHBondContact CA-O 3.45Å; R784-V792 HydrophobicContact CG-CG2 4.3Å; R784-V888 HydrophobicContact CG-CG1 3.64Å; R784-N889 PolarHBondContact NH1-O 3.28Å; R784-N889 VanDerWaalsContact NH1-O 3.08Å; R784-F890 HydrophobicContact CG-CE1 4.07Å
785	L	50.8	Low	64.4	Low	89 Å²	89	53.9 Å²	53.9	47%	0.466	26%	0.262	S	S	.	.	S	Bend	trans	-69.9	-32.1	176.6	-60.5	-173.3	0	0	0	112.1	A791 H793 I856	L785-A791 HydrophobicContact CB-CB 4.24Å; L785-A791 HydrophobicContact CD1-CB 3.65Å; L785-A791 HydrophobicContact CG-CB 3.9Å; L785-A791 PolarHBondContact N-O 3.49Å; L785-H793 HydrophobicContact CD2-CB 4.07Å; L785-I856 HydrophobicContact CD1-CG2 4.18Å
786	A	51.6	Low	65	Low	26 Å²	26	52.2 Å²	52.2	22%	0.215	25%	0.253	C	S	.	.	S	Bend	trans	-152.7	160.3	166	0	0	0	0	0	111.6	R784 F788 T789	R784-A786 VanDerWaalsContact C-N 3.33Å; A786-F788 HydrophobicContact CB-CD1 4.35Å; A786-F788 HydrophobicContact CB-CD2 4.33Å; A786-F788 HydrophobicContact CB-CE1 3.97Å; A786-F788 HydrophobicContact CB-CE2 3.95Å; A786-F788 HydrophobicContact CB-CZ 3.75Å; A786-F788 PolarHBondContact O-N 2.9Å; A786-T789 HydrophobicContact CB-CG2 4.09Å; A786-T789 PolarHBondContact N-OG1 2.96Å; A786-T789 PolarHBondContact O-N 3.46Å; A786-T789 VanDerWaalsContact O-N 3.09Å; A786-T789 PolarHBondContact O-OG1 3.32Å
787	N	49.3	Very low	65.2	Low	139 Å²	139	49.2 Å²	49.2	74%	0.743	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-10.3	-178.6	-71.2	-1.4	0	0	0	114.6	R784	R784-N787 VanDerWaalsContact CZ-O 3.3Å; R784-N787 PolarHBondContact NH1-O 2.93Å; R784-N787 PolarHBondContact NH2-O 2.56Å
788	F	51.5	Low	65	Low	90 Å²	90	50.1 Å²	50.1	40%	0.395	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	11.9	179.1	51.4	-98.3	0	0	0	113.3	A786 M893	A786-F788 HydrophobicContact CB-CD1 4.35Å; A786-F788 HydrophobicContact CB-CD2 4.33Å; A786-F788 HydrophobicContact CB-CE1 3.97Å; A786-F788 HydrophobicContact CB-CE2 3.95Å; A786-F788 HydrophobicContact CB-CZ 3.75Å; A786-F788 PolarHBondContact O-N 2.9Å; F788-M893 WeakPolarHBondContact O-CE 3.33Å
789	T	51.8	Low	64.7	Low	34 Å²	34	55 Å²	55	21%	0.209	27%	0.266	C	S	.	.			trans	-113.8	150.5	175.6	58.8	0	0	0	0	111.9	R784 A786 A791	R784-T789 VanDerWaalsContact CZ-O 3.31Å; R784-T789 PolarHBondContact NE-O 3.2Å; R784-T789 PolarHBondContact NH2-O 3.42Å; A786-T789 HydrophobicContact CB-CG2 4.09Å; A786-T789 PolarHBondContact N-OG1 2.96Å; A786-T789 PolarHBondContact O-N 3.46Å; A786-T789 VanDerWaalsContact O-N 3.09Å; A786-T789 PolarHBondContact O-OG1 3.32Å; T789-A791 VanDerWaalsContact C-N 3.31Å
790	M	57.9	Low	63.8	Low	17 Å²	17	55.4 Å²	55.4	8%	0.084	27%	0.273	C	S	.	.			trans	-84.9	-8.1	171.4	-61.3	170	78.9	0	0	112.4	R860 F863 P865 M893	M790-R860 HydrophobicContact CE-CB 4.01Å; M790-R860 HydrophobicContact CE-CG 4.39Å; M790-R860 HydrophobicContact SD-CB 4.03Å; M790-R860 HydrophobicContact SD-CG 3.78Å; M790-F863 HydrophobicContact CE-CB 4.45Å; M790-F863 WeakPolarHBondContact CE-O 3.37Å; M790-P865 HydrophobicContact CE-CG 4.19Å; M790-M893 HydrophobicContact CG-CE 4.28Å
791	A	56.1	Low	63	Low	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.			trans	-67	135	176.2	0	0	0	0	0	113.6	R784 L785 T789 F857 D858	R784-A791 WeakPolarHBondContact CA-O 3.45Å; L785-A791 HydrophobicContact CB-CB 4.24Å; L785-A791 HydrophobicContact CD1-CB 3.65Å; L785-A791 HydrophobicContact CG-CB 3.9Å; L785-A791 PolarHBondContact N-O 3.49Å; T789-A791 VanDerWaalsContact C-N 3.31Å; A791-F857 CarbonylContact C-O 3.36Å; A791-F857 VanDerWaalsContact CA-O 3.27Å; A791-F857 WeakPolarHBondContact CA-O 3.3Å; A791-D858 HydrophobicContact CB-CB 3.72Å; A791-D858 PolarHBondContact N-OD1 2.79Å
792	V	61.1	Low	62.1	Low	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.7	-173.6	178.4	0	0	0	0	110.8	V782 K783 R784 I794 I856 F857 F863 V888 F890	V782-V792 HydrophobicContact CG1-CG1 3.23Å; K783-V792 WeakPolarHBondContact O-CA 3.42Å; R784-V792 HydrophobicContact CG-CG2 4.3Å; V792-I794 HydrophobicContact CG1-CG1 3.95Å; V792-I856 WeakPolarHBondContact O-CA 3.29Å; V792-F857 PolarHBondContact N-O 3.09Å; V792-F857 PolarHBondContact O-N 3.47Å; V792-F863 HydrophobicContact CB-CE2 4.21Å; V792-F863 HydrophobicContact CG2-CD2 4.44Å; V792-F863 HydrophobicContact CG2-CE2 3.88Å; V792-F863 HydrophobicContact CG2-CZ 4.31Å; V792-V888 HydrophobicContact CG2-CG1 4.28Å; V792-F890 HydrophobicContact CG2-CE1 4.49Å; V792-F890 HydrophobicContact CG2-CZ 3.91Å
793	H	63.7	Low	61.4	Low	36 Å²	36	58.4 Å²	58.4	17%	0.167	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.9	168.8	176.2	-142.7	0	0	0	109.9	F61 V782 K783 L785 I855 I856	F61-H793 AromaticContact CZ-CE1 3.98Å; V782-H793 WeakPolarHBondContact CA-O 3.24Å; K783-H793 PolarHBondContact N-O 2.79Å; K783-H793 PolarHBondContact O-N 3.25Å; L785-H793 HydrophobicContact CD2-CB 4.07Å; H793-I855 PolarHBondContact CD2-O 3.26Å; H793-I856 HydrophobicContact CB-CG1 4.07Å
794	I	69.9	Low	60.6	Low	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	-176.8	-52.2	179.2	0	0	0	108.7	P780 I781 V782 V792 W796 L810 S854 I855 F857 L871	P780-I794 HydrophobicContact CB-CG2 4.05Å; I781-I794 CarbonylContact O-C 3.59Å; I781-I794 WeakPolarHBondContact O-CA 3.36Å; V782-I794 HydrophobicContact CG1-CG1 4.28Å; V782-I794 HydrophobicContact CG2-CG1 4.24Å; V782-I794 HydrophobicContact CG2-CG2 4.15Å; V792-I794 HydrophobicContact CG1-CG1 3.95Å; I794-W796 HydrophobicContact CB-CZ3 4.37Å; I794-W796 HydrophobicContact CG2-CE3 3.94Å; I794-W796 HydrophobicContact CG2-CZ3 3.78Å; I794-L810 HydrophobicContact CD1-CD1 4.09Å; I794-L810 HydrophobicContact CD1-CD2 3.87Å; I794-L810 HydrophobicContact CG2-CD1 4.43Å; I794-S854 CarbonylContact O-C 3.56Å; I794-S854 WeakPolarHBondContact O-CA 3.49Å; I794-S854 WeakPolarHBondContact O-CB 3.47Å; I794-I855 HydrophobicContact CB-CG2 4.2Å; I794-I855 PolarHBondContact N-O 3.23Å; I794-I855 PolarHBondContact O-N 2.96Å; I794-F857 HydrophobicContact CD1-CD2 3.96Å; I794-F857 HydrophobicContact CD1-CE2 4.02Å; I794-L871 HydrophobicContact CD1-CD1 3.84Å; I794-L871 HydrophobicContact CD1-CD2 3.97Å; I794-L871 HydrophobicContact CD1-CG 4.37Å; I794-L871 HydrophobicContact CG1-CD1 4.4Å
795	K	69	Low	60.4	Low	48 Å²	48	61 Å²	61	21%	0.209	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.8	176.4	-179	157.8	-166.5	150.1	0	113.2	P780 I781 S853	P780-K795 CarbonylContact C-O 3.54Å; P780-K795 WeakPolarHBondContact CA-O 3.16Å; I781-K795 PolarHBondContact N-O 2.84Å; I781-K795 PolarHBondContact O-N 3.47Å; K795-S853 CarbonylContact C-O 3.53Å; K795-S853 WeakPolarHBondContact CA-O 3.32Å
796	W	79.3	Confident	60.9	Low	3 Å²	3	57.2 Å²	57.2	1%	0.011	29%	0.291	C	S	.	.			trans	-136.6	175	175.9	55.6	99	0	0	0	111.2	S778 P780 I794 Y808 I849 N852 S853 I855 V873	S778-W796 WeakPolarHBondContact OG-CA 3.24Å; P780-W796 HydrophobicContact CB-CB 4.43Å; I794-W796 HydrophobicContact CB-CZ3 4.37Å; I794-W796 HydrophobicContact CG2-CE3 3.94Å; I794-W796 HydrophobicContact CG2-CZ3 3.78Å; W796-Y808 AromaticContact CD1-CE1 3.97Å; W796-Y808 HydrophobicContact CZ2-CD1 4.22Å; W796-Y808 HydrophobicContact CZ2-CD2 4.21Å; W796-Y808 AromaticContact CZ2-CG 3.93Å; W796-Y808 HydrophobicContact CZ2-CG 3.93Å; W796-Y808 AromaticContact NE1-CD1 3.36Å; W796-Y808 AromaticContact NE1-CE1 3.21Å; W796-Y808 AromaticContact NE1-CG 3.91Å; W796-Y808 AromaticContact NE1-CZ 3.67Å; W796-I849 HydrophobicContact CH2-CD1 4.47Å; W796-N852 WeakPolarHBondContact CZ2-O 3.45Å; W796-S853 PolarHBondContact N-O 3.26Å; W796-S853 WeakPolarHBondContact O-CB 3.23Å; W796-I855 HydrophobicContact CH2-CG2 3.94Å; W796-I855 HydrophobicContact CZ3-CG2 3.93Å; W796-V873 HydrophobicContact CD2-CB 4.45Å; W796-V873 HydrophobicContact CD2-CG1 4.37Å; W796-V873 HydrophobicContact CD2-CG2 3.67Å; W796-V873 HydrophobicContact CE3-CG2 3.63Å; W796-V873 HydrophobicContact CG-CG2 4.21Å; W796-V873 HydrophobicContact CH2-CG2 4.14Å; W796-V873 HydrophobicContact CZ2-CG1 4.11Å; W796-V873 HydrophobicContact CZ2-CG2 4.16Å; W796-V873 HydrophobicContact CZ3-CG2 3.87Å
797	T	71.9	Confident	61.4	Low	54 Å²	54	58.8 Å²	58.8	33%	0.331	29%	0.294	S	S	.	.			trans	-137.2	148.7	168.4	50.9	0	0	0	0	110.4	S778 Y799	S778-T797 WeakPolarHBondContact CB-OG1 3.47Å; S778-T797 PolarHBondContact N-O 2.85Å; S778-T797 PolarHBondContact OG-N 2.91Å; T797-Y799 WeakPolarHBondContact OG1-CE2 3.32Å; T797-Y799 VanDerWaalsContact OG1-CZ 3.29Å; T797-Y799 PolarHBondContact OG1-OH 3.1Å
798	V	71.1	Confident	62.3	Low	34 Å²	34	52.9 Å²	52.9	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.2	173.1	-173.7	0	0	0	0	108.4	I775 V777 L806 Y808 V875	I775-V798 HydrophobicContact CG2-CG1 3.93Å; V777-V798 HydrophobicContact CG1-CG2 4.5Å; V777-V798 HydrophobicContact CG2-CG1 4.47Å; V777-V798 HydrophobicContact CG2-CG2 4.39Å; V798-L806 HydrophobicContact CB-CD1 4.15Å; V798-L806 HydrophobicContact CG1-CD1 4.05Å; V798-L806 HydrophobicContact CG2-CD1 4.1Å; V798-Y808 HydrophobicContact CG2-CE1 3.91Å; V798-V875 HydrophobicContact CG2-CG2 3.94Å
799	Y	72.2	Confident	63.1	Low	123 Å²	123	50 Å²	50	48%	0.482	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.2	-178.8	-59.5	-83.2	0	0	0	110.6	I775 K776 T797 S801	I775-Y799 WeakPolarHBondContact CA-O 3.13Å; K776-Y799 HydrophobicContact CB-CD2 4.35Å; K776-Y799 PolarHBondContact N-O 3Å; K776-Y799 WeakPolarHBondContact O-CD2 3.34Å; K776-Y799 PolarHBondContact O-N 3.09Å; T797-Y799 WeakPolarHBondContact OG1-CE2 3.32Å; T797-Y799 VanDerWaalsContact OG1-CZ 3.29Å; T797-Y799 PolarHBondContact OG1-OH 3.1Å; Y799-S801 VanDerWaalsContact C-N 3.35Å; Y799-S801 PolarHBondContact O-N 3.1Å
800	H	61.8	Low	64	Low	128 Å²	128	48.5 Å²	48.5	59%	0.593	24%	0.239	S	C	*	.	S	Bend	trans	61.3	24.5	172.7	-41.5	107.4	0	0	0	117.1	P773 P802	P773-H800 HydrophobicContact CB-CB 3.78Å; H800-P802 WeakPolarHBondContact O-CD 3.12Å
801	S	60.9	Low	64.6	Low	33 Å²	33	47.7 Å²	47.7	23%	0.231	24%	0.235	C	C	.	.			trans	-63.8	127.6	170.4	-178.9	0	0	0	0	110.8	Y799 I803 H878	Y799-S801 VanDerWaalsContact C-N 3.35Å; Y799-S801 PolarHBondContact O-N 3.1Å; S801-I803 PolarHBondContact OG-N 2.97Å; S801-I803 VanDerWaalsContact OG-N 3.1Å; S801-I803 PolarHBondContact OG-O 3.36Å; S801-H878 PolarHBondContact OG-NE2 2.98Å; S801-H878 VanDerWaalsContact OG-NE2 3.09Å
802	P	55	Low	65.6	Low	109 Å²	109	47.9 Å²	47.9	71%	0.708	24%	0.236	S	C	*	.	S	Bend	trans	-78.6	-8.9	168.9	33.6	-35	0	0	0	112.5	H800	H800-P802 WeakPolarHBondContact O-CD 3.12Å
803	I	57.6	Low	66.2	Low	70 Å²	70	49.7 Å²	49.7	36%	0.359	24%	0.244	S	C	.	.			trans	-97.6	124.6	178.7	-39.6	178.5	0	0	0	108	S801 E805 L806 E877	S801-I803 PolarHBondContact OG-N 2.97Å; S801-I803 VanDerWaalsContact OG-N 3.1Å; S801-I803 PolarHBondContact OG-O 3.36Å; I803-E805 WeakPolarHBondContact CG2-O 3.41Å; I803-L806 HydrophobicContact CB-CD2 4.03Å; I803-L806 HydrophobicContact CD1-CD2 4.48Å; I803-L806 HydrophobicContact CG2-CD2 4.48Å; I803-E877 HydrophobicContact CD1-CB 3.66Å; I803-E877 HydrophobicContact CD1-CG 3.91Å
804	K	50.4	Low	66.7	Low	141 Å²	141	52.1 Å²	52.1	61%	0.613	26%	0.255	S	S	*	.	S	Bend	trans	-74.4	-34.1	-179	-75.5	-175.8	168.5	-174.2	0	113.5	N564 S565	N564-K804 PolarHBondContact O-NZ 2.75Å; S565-K804 PolarHBondContact OG-NZ 3Å
805	E	56.4	Low	66.7	Low	108 Å²	108	55.3 Å²	55.3	51%	0.505	27%	0.272	S	S	.	.	S	Bend	trans	-105.7	132.9	178.9	-69.7	158.5	-164.1	0	0	108.2	I803 D851	I803-E805 WeakPolarHBondContact CG2-O 3.41Å; E805-D851 WeakPolarHBondContact CA-OD1 3.34Å; E805-D851 WeakPolarHBondContact CB-OD1 3.45Å
806	L	61.1	Low	66	Low	8 Å²	8	54.8 Å²	54.8	4%	0.042	28%	0.281	C	S	.	.			trans	-141	130.9	-174.7	-70.8	178	0	0	0	110.7	V798 I803 Y808 D851 V875 E877	V798-L806 HydrophobicContact CB-CD1 4.15Å; V798-L806 HydrophobicContact CG1-CD1 4.05Å; V798-L806 HydrophobicContact CG2-CD1 4.1Å; I803-L806 HydrophobicContact CB-CD2 4.03Å; I803-L806 HydrophobicContact CD1-CD2 4.48Å; I803-L806 HydrophobicContact CG2-CD2 4.48Å; L806-Y808 HydrophobicContact CB-CE1 4.21Å; L806-Y808 HydrophobicContact CB-CE2 4.05Å; L806-Y808 WeakPolarHBondContact O-CD2 3.23Å; L806-Y808 WeakPolarHBondContact O-CE2 3.47Å; L806-D851 PolarHBondContact N-OD1 3.39Å; L806-D851 WeakPolarHBondContact O-CA 3.45Å; L806-D851 PolarHBondContact O-N 3.26Å; L806-V875 HydrophobicContact CB-CG1 4.32Å; L806-V875 HydrophobicContact CD1-CG1 4.12Å; L806-V875 HydrophobicContact CD2-CG1 3.9Å; L806-V875 HydrophobicContact CG-CG1 4.35Å; L806-E877 WeakPolarHBondContact CA-OE1 3.37Å; L806-E877 HydrophobicContact CD2-CB 4.2Å; L806-E877 HydrophobicContact CD2-CG 4.08Å; L806-E877 WeakPolarHBondContact CD2-OE2 3.36Å
807	H	61.8	Low	64.3	Low	60 Å²	60	62.9 Å²	62.9	28%	0.278	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.2	179.3	-58.8	58.3	0	0	0	109.4	Y850 L876 E877	H807-Y850 AromaticContact CD2-CD1 3.45Å; H807-Y850 VanDerWaalsContact CD2-CD1 3.45Å; H807-Y850 WeakPolarHBondContact CD2-CD1 3.49Å; H807-Y850 AromaticContact CD2-CE1 3.17Å; H807-Y850 WeakPolarHBondContact CD2-CE1 3.37Å; H807-Y850 AromaticContact CD2-CZ 3.98Å; H807-Y850 AromaticContact NE2-CD1 3.54Å; H807-Y850 AromaticContact NE2-CE1 3.28Å; H807-Y850 VanDerWaalsContact NE2-CE1 3.28Å; H807-Y850 WeakPolarHBondContact NE2-CE1 3.42Å; H807-L876 HydrophobicContact CB-CB 4.18Å; H807-L876 HydrophobicContact CB-CD1 3.7Å; H807-L876 HydrophobicContact CB-CG 4.46Å; H807-L876 WeakPolarHBondContact O-CB 3.37Å; H807-L876 PolarHBondContact O-N 3.47Å; H807-E877 IonicContact CE1-OE1 2.59Å; H807-E877 IonicContact CG-OE1 2.66Å; H807-E877 PolarHBondContact N-OE1 3.29Å; H807-E877 PolarHBondContact N-OE2 2.96Å; H807-E877 VanDerWaalsContact N-OE2 3.12Å; H807-E877 IonicContact ND1-OE1 3.07Å; H807-E877 PolarHBondContact ND1-OE1 2.82Å
808	Y	67.5	Low	62.7	Low	14 Å²	14	67 Å²	67	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.7	-175.7	-54.5	-79.9	0	0	0	111.8	W796 V798 L806 N848 I849 N852 V873 L874 V875	W796-Y808 AromaticContact CD1-CE1 3.97Å; W796-Y808 HydrophobicContact CZ2-CD1 4.22Å; W796-Y808 HydrophobicContact CZ2-CD2 4.21Å; W796-Y808 AromaticContact CZ2-CG 3.93Å; W796-Y808 HydrophobicContact CZ2-CG 3.93Å; W796-Y808 AromaticContact NE1-CD1 3.36Å; W796-Y808 AromaticContact NE1-CE1 3.21Å; W796-Y808 AromaticContact NE1-CG 3.91Å; W796-Y808 AromaticContact NE1-CZ 3.67Å; V798-Y808 HydrophobicContact CG2-CE1 3.91Å; L806-Y808 HydrophobicContact CB-CE1 4.21Å; L806-Y808 HydrophobicContact CB-CE2 4.05Å; L806-Y808 WeakPolarHBondContact O-CD2 3.23Å; L806-Y808 WeakPolarHBondContact O-CE2 3.47Å; Y808-N848 CarbonylContact O-C 3.57Å; Y808-N848 WeakPolarHBondContact O-CA 3.19Å; Y808-I849 WeakPolarHBondContact CD2-O 3.46Å; Y808-I849 PolarHBondContact N-O 3.4Å; Y808-I849 PolarHBondContact O-N 2.91Å; Y808-N852 WeakPolarHBondContact CD2-O 3.41Å; Y808-N852 WeakPolarHBondContact CE2-O 3.29Å; Y808-V873 HydrophobicContact CD1-CG1 3.69Å; Y808-V873 HydrophobicContact CG-CG1 4.19Å; Y808-L874 CarbonylContact C-O 3.32Å; Y808-L874 VanDerWaalsContact CA-O 3.25Å; Y808-L874 WeakPolarHBondContact CA-O 3.09Å; Y808-V875 HydrophobicContact CD1-CG2 3.92Å; Y808-V875 HydrophobicContact CE1-CG1 4.46Å; Y808-V875 HydrophobicContact CE1-CG2 3.83Å
809	Q	69.2	Low	60.7	Low	30 Å²	30	77.8 Å²	77.8	14%	0.14	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	167.6	-84.2	179.1	-2.7	0	0	110.2	I845 N848 V873 L874 L876	Q809-I845 HydrophobicContact CB-CG2 3.91Å; Q809-I845 HydrophobicContact CG-CG2 3.98Å; Q809-N848 WeakPolarHBondContact CG-OD1 3.2Å; Q809-N848 PolarHBondContact NE2-OD1 2.69Å; Q809-V873 CarbonylContact O-C 3.59Å; Q809-V873 WeakPolarHBondContact O-CA 3.28Å; Q809-L874 HydrophobicContact CB-CB 4.21Å; Q809-L874 PolarHBondContact N-O 3.33Å; Q809-L874 PolarHBondContact O-N 2.93Å; Q809-L876 HydrophobicContact CG-CD1 4.08Å; Q809-L876 HydrophobicContact CG-CD2 4.49Å; Q809-L876 HydrophobicContact CG-CG 4.48Å
810	L	70.2	Confident	58.6	Low	2 Å²	2	80 Å²	80	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.8	177.3	-165.2	81.7	0	0	0	110.3	I794 I812 I845 L846 I849 F857 L871 R872 V873	I794-L810 HydrophobicContact CD1-CD1 4.09Å; I794-L810 HydrophobicContact CD1-CD2 3.87Å; I794-L810 HydrophobicContact CG2-CD1 4.43Å; L810-I812 HydrophobicContact CD2-CG1 4.35Å; L810-I845 WeakPolarHBondContact O-CA 3.4Å; L810-L846 HydrophobicContact CB-CB 4.25Å; L810-L846 HydrophobicContact CB-CD1 4.06Å; L810-L846 HydrophobicContact CD2-CD1 3.6Å; L810-L846 HydrophobicContact CG-CD1 4.38Å; L810-L846 PolarHBondContact O-N 3.26Å; L810-I849 HydrophobicContact CB-CD1 4.35Å; L810-F857 HydrophobicContact CD2-CD2 4.4Å; L810-F857 HydrophobicContact CD2-CE2 3.56Å; L810-F857 HydrophobicContact CD2-CZ 3.97Å; L810-L871 HydrophobicContact CD2-CD2 3.89Å; L810-L871 HydrophobicContact CG-CD2 4.33Å; L810-R872 WeakPolarHBondContact CA-O 3.25Å; L810-R872 WeakPolarHBondContact CD1-O 3.32Å; L810-V873 HydrophobicContact CD1-CG2 3.92Å
811	G	71.5	Confident	56.9	Low	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.7	171	0	0	0	0	0	111.4	S844 L871 R872	G811-S844 WeakPolarHBondContact CA-O 3.45Å; G811-L871 CarbonylContact O-C 3.5Å; G811-L871 WeakPolarHBondContact O-CA 3.4Å; G811-R872 PolarHBondContact N-O 2.76Å; G811-R872 PolarHBondContact O-N 3.16Å
812	I	75.4	Confident	55	Low	5 Å²	5	87.1 Å²	87.1	3%	0.026	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.6	176	-55.7	172.7	0	0	0	109.5	L810 F843 S844 L846 L862 Y869 L871	L810-I812 HydrophobicContact CD2-CG1 4.35Å; I812-F843 WeakPolarHBondContact O-CA 2.98Å; I812-F843 WeakPolarHBondContact O-CB 3.29Å; I812-S844 PolarHBondContact N-O 2.93Å; I812-S844 PolarHBondContact O-N 3.46Å; I812-S844 VanDerWaalsContact O-N 3.11Å; I812-L846 HydrophobicContact CD1-CD1 3.76Å; I812-L846 HydrophobicContact CG1-CD1 4.35Å; I812-L862 HydrophobicContact CD1-CB 4.44Å; I812-L862 HydrophobicContact CD1-CD1 4.46Å; I812-L862 HydrophobicContact CD1-CD2 3.95Å; I812-Y869 HydrophobicContact CG2-CD1 3.77Å; I812-Y869 HydrophobicContact CG2-CE1 4.39Å; I812-L871 HydrophobicContact CB-CD2 4.45Å; I812-L871 HydrophobicContact CG1-CD2 3.77Å
813	K	74.8	Confident	53.5	Low	37 Å²	37	86 Å²	86	16%	0.161	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.8	171.9	174.4	176	-178.7	178.3	0	110.2	L815 E841 Y869 S870 W884	K813-L815 HydrophobicContact CD-CD2 4.44Å; K813-L815 HydrophobicContact CG-CD2 4.43Å; K813-E841 WeakPolarHBondContact CE-OE2 2.99Å; K813-E841 IonicContact NZ-OE1 2.68Å; K813-E841 PolarHBondContact NZ-OE1 2.62Å; K813-E841 IonicContact NZ-OE2 3.54Å; K813-E841 PolarHBondContact NZ-OE2 2.84Å; K813-Y869 CarbonylContact O-C 3.57Å; K813-Y869 WeakPolarHBondContact O-CA 3.42Å; K813-S870 PolarHBondContact N-O 3.04Å; K813-S870 PolarHBondContact O-N 2.73Å; K813-W884 HydrophobicContact CB-CE3 4.14Å; K813-W884 HydrophobicContact CB-CH2 3.4Å; K813-W884 VanDerWaalsContact CB-CH2 3.4Å; K813-W884 HydrophobicContact CB-CZ2 4.03Å; K813-W884 HydrophobicContact CB-CZ3 3.44Å; K813-W884 VanDerWaalsContact CB-CZ3 3.44Å; K813-W884 HydrophobicContact CD-CD2 4.48Å; K813-W884 HydrophobicContact CD-CH2 4.22Å; K813-W884 HydrophobicContact CD-CZ2 3.99Å; K813-W884 HydrophobicContact CG-CH2 4.43Å
814	H	73.1	Confident	51.9	Low	87 Å²	87	87.6 Å²	87.6	40%	0.403	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	141.4	169.2	177	-119.5	0	0	0	110.6	G816 N867 Y869	H814-G816 WeakPolarHBondContact CE1-CA 2.93Å; H814-N867 PolarHBondContact NE2-OD1 2.88Å; H814-Y869 HydrophobicContact CB-CD1 4.33Å; H814-Y869 HydrophobicContact CB-CE1 4.08Å; H814-Y869 AromaticContact CD2-CE1 3.81Å; H814-Y869 AromaticContact CD2-CZ 3.8Å
815	L	69.6	Low	50.7	Low	68 Å²	68	84.6 Å²	84.6	36%	0.356	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	67.5	178.5	-65.6	168.7	0	0	0	109.2	K813 S868 P887	K813-L815 HydrophobicContact CD-CD2 4.44Å; K813-L815 HydrophobicContact CG-CD2 4.43Å; L815-S868 WeakPolarHBondContact CB-O 3.34Å; L815-S868 PolarHBondContact N-O 3.11Å; L815-P887 HydrophobicContact CD1-CB 3.82Å; L815-P887 HydrophobicContact CD1-CG 3.81Å
816	G	56	Low	49.1	Very low	37 Å²	37	85.6 Å²	85.6	38%	0.381	44%	0.437	S	S	.	.			trans	-88	135.7	-176.6	0	0	0	0	0	114.8	H814 I818	H814-G816 WeakPolarHBondContact CE1-CA 2.93Å; G816-I818 PolarHBondContact O-N 3.45Å
817	N	43.7	Very low	47.3	Very low	173 Å²	173	93.1 Å²	93.1	93%	0.925	47%	0.47	S	S	*	.			trans	-95.2	64.5	175.2	-116.1	-14.2	0	0	0	111.6
818	I	37.1	Very low	45.7	Very low	141 Å²	141	93.7 Å²	93.7	72%	0.723	48%	0.481	S	S	*	.			trans	-156.2	134	169.3	-100.6	139.6	0	0	0	111	G816 Q820	G816-I818 PolarHBondContact O-N 3.45Å; I818-Q820 VanDerWaalsContact C-N 3.27Å; I818-Q820 HydrophobicContact CG2-CB 4.37Å; I818-Q820 PolarHBondContact O-N 3.48Å
819	R	30.3	Very low	43.9	Very low	259 Å²	259	98.2 Å²	98.2	98%	0.977	51%	0.506	S	S	*	.	S	Bend	trans	-82.7	22.2	-177.5	-75.5	-175	170.5	179	-2.9	115.1
820	Q	26.4	Very low	42.2	Very low	170 Å²	170	101.7 Å²	101.7	79%	0.794	52%	0.522	S	S	*	.			trans	-139.2	78.3	-177.5	-69.6	-167	-1.3	0	0	112.7	I818 K822	I818-Q820 VanDerWaalsContact C-N 3.27Å; I818-Q820 HydrophobicContact CG2-CB 4.37Å; I818-Q820 PolarHBondContact O-N 3.48Å; Q820-K822 VanDerWaalsContact C-N 3.28Å; Q820-K822 PolarHBondContact O-N 3.01Å
821	T	25.8	Very low	40.5	Very low	134 Å²	134	105.6 Å²	105.6	82%	0.822	54%	0.537	S	S	*	.			trans	-74.2	75.2	170.1	39.1	0	0	0	0	111.8	S823	T821-S823 VanDerWaalsContact C-N 3.32Å; T821-S823 PolarHBondContact O-N 2.91Å
822	K	22.4	Very low	39	Very low	176 Å²	176	111 Å²	111	77%	0.765	57%	0.565	S	S	*	*			trans	-76.8	92.2	149.2	-85.6	-170.9	175	-179.2	0	107.4	Q820 I824 F925	Q820-K822 VanDerWaalsContact C-N 3.28Å; Q820-K822 PolarHBondContact O-N 3.01Å; K822-I824 PolarHBondContact O-N 2.86Å; K822-F925 HydrophobicContact CB-CE1 4.12Å; K822-F925 HydrophobicContact CB-CZ 4.36Å; K822-F925 WeakPolarHBondContact O-CE1 3.38Å
823	S	24	Very low	37.3	Very low	86 Å²	86	115.6 Å²	115.6	60%	0.601	59%	0.586	S	S	*	*			trans	-70.2	114.8	173.8	36.3	0	0	0	0	110.4	T821	T821-S823 VanDerWaalsContact C-N 3.32Å; T821-S823 PolarHBondContact O-N 2.91Å
824	I	22.8	Very low	35.7	Very low	103 Å²	103	115.8 Å²	115.8	53%	0.528	59%	0.592	S	S	.	*			trans	-96.4	111.9	143.3	-81.9	-160	0	0	0	107.3	K822 F925	K822-I824 PolarHBondContact O-N 2.86Å; I824-F925 HydrophobicContact CB-CD2 3.84Å; I824-F925 HydrophobicContact CB-CE2 3.53Å; I824-F925 HydrophobicContact CB-CZ 4.03Å; I824-F925 HydrophobicContact CD1-CD2 4.18Å; I824-F925 HydrophobicContact CD1-CE2 3.46Å; I824-F925 VanDerWaalsContact CD1-CE2 3.46Å; I824-F925 HydrophobicContact CD1-CZ 4.3Å; I824-F925 HydrophobicContact CG1-CD2 4.11Å; I824-F925 HydrophobicContact CG1-CE2 3.32Å; I824-F925 HydrophobicContact CG1-CZ 3.77Å; I824-F925 HydrophobicContact CG2-CD2 4.49Å
825	I	25.6	Very low	34	Very low	78 Å²	78	120 Å²	120	40%	0.4	60%	0.604	S	S	.	*			trans	-99.6	111.9	169.7	-67.6	160.8	0	0	0	105.1	F827	I825-F827 HydrophobicContact CB-CE2 4.43Å; I825-F827 HydrophobicContact CB-CZ 4.4Å; I825-F827 HydrophobicContact CG2-CD1 4.12Å; I825-F827 HydrophobicContact CG2-CD2 4.43Å; I825-F827 HydrophobicContact CG2-CE1 4.08Å; I825-F827 HydrophobicContact CG2-CE2 4.39Å; I825-F827 HydrophobicContact CG2-CG 4.3Å; I825-F827 HydrophobicContact CG2-CZ 4.22Å; I825-F827 VanDerWaalsContact O-CD2 3.29Å; I825-F827 WeakPolarHBondContact O-CD2 3.36Å; I825-F827 WeakPolarHBondContact O-CE2 3.43Å; I825-F827 PolarHBondContact O-N 2.74Å
826	T	23.1	Very low	32.6	Very low	129 Å²	129	120.6 Å²	120.6	79%	0.791	61%	0.608	S	S	*	*			trans	-74.1	103.2	163.9	43.1	0	0	0	0	107.7	S828	T826-S828 PolarHBondContact O-N 2.63Å
827	F	23.8	Very low	31.7	Very low	167 Å²	167	128 Å²	128	73%	0.732	63%	0.63	S	S	*	*			trans	-67.7	120.5	179.8	-63.1	-90.5	0	0	0	110.9	I825	I825-F827 HydrophobicContact CB-CE2 4.43Å; I825-F827 HydrophobicContact CB-CZ 4.4Å; I825-F827 HydrophobicContact CG2-CD1 4.12Å; I825-F827 HydrophobicContact CG2-CD2 4.43Å; I825-F827 HydrophobicContact CG2-CE1 4.08Å; I825-F827 HydrophobicContact CG2-CE2 4.39Å; I825-F827 HydrophobicContact CG2-CG 4.3Å; I825-F827 HydrophobicContact CG2-CZ 4.22Å; I825-F827 VanDerWaalsContact O-CD2 3.29Å; I825-F827 WeakPolarHBondContact O-CD2 3.36Å; I825-F827 WeakPolarHBondContact O-CE2 3.43Å; I825-F827 PolarHBondContact O-N 2.74Å
828	S	26.4	Very low	31.4	Very low	72 Å²	72	123.9 Å²	123.9	50%	0.503	61%	0.614	S	S	.	*			trans	-101.1	139.7	140.7	51.8	0	0	0	0	108.4	T826 E830 Y831	T826-S828 PolarHBondContact O-N 2.63Å; S828-E830 PolarHBondContact O-N 2.03Å; S828-E830 VanDerWaalsContact O-N 3.11Å; S828-Y831 WeakPolarHBondContact O-CD2 3.25Å
829	N	31.1	Very low	31.5	Very low	108 Å²	108	122.7 Å²	122.7	58%	0.578	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	91.1	-167.6	-72.1	-3.8	0	0	0	111.9	N722	N722-N829 PolarHBondContact OD1-ND2 2.98Å
830	E	32.2	Very low	31.8	Very low	103 Å²	103	113.3 Å²	113.3	48%	0.481	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-166.4	8.7	149.7	-117	175	-149.7	0	0	116.3	S828 I832 P847	S828-E830 PolarHBondContact O-N 2.03Å; S828-E830 VanDerWaalsContact O-N 3.11Å; E830-I832 PolarHBondContact O-N 3.02Å; E830-P847 WeakPolarHBondContact OE2-CB 3.43Å
831	Y	34.6	Very low	32.5	Very low	84 Å²	84	108.6 Å²	108.6	33%	0.329	57%	0.571	S	S	.	*			trans	-90.8	106.4	-172	-59.8	-75.9	0	0	0	114.9	S828 H833 I845 L846 L862	S828-Y831 WeakPolarHBondContact O-CD2 3.25Å; Y831-H833 PolarHBondContact O-N 3.39Å; Y831-H833 VanDerWaalsContact O-N 3.16Å; Y831-I845 WeakPolarHBondContact CD1-O 3.43Å; Y831-L846 HydrophobicContact CE1-CD2 3.71Å; Y831-L846 HydrophobicContact CE1-CG 4.1Å; Y831-L862 HydrophobicContact CE1-CD2 4Å
832	I	39.8	Very low	33.4	Very low	114 Å²	114	107.3 Å²	107.3	59%	0.585	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.2	106.1	170.7	-58.4	178.7	0	0	0	109.9	E830 S834 I845	E830-I832 PolarHBondContact O-N 3.02Å; I832-S834 PolarHBondContact O-N 2.85Å; I832-I845 WeakPolarHBondContact O-CB 3.41Å
833	H	40.3	Very low	34.7	Very low	102 Å²	102	99.4 Å²	99.4	47%	0.472	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	101.3	168.6	-83.1	54.8	0	0	0	110.5	Y831	Y831-H833 PolarHBondContact O-N 3.39Å; Y831-H833 VanDerWaalsContact O-N 3.16Å
834	S	40.8	Very low	35.8	Very low	40 Å²	40	96.9 Å²	96.9	28%	0.28	50%	0.504	S	S	.	.			trans	-94	102.9	170.5	76.9	0	0	0	0	110.9	I832 N836 F843 I845	I832-S834 PolarHBondContact O-N 2.85Å; S834-N836 PolarHBondContact O-N 2.84Å; S834-F843 WeakPolarHBondContact O-CE1 3.2Å; S834-F843 VanDerWaalsContact O-CZ 3.3Å; S834-F843 WeakPolarHBondContact O-CZ 3.48Å; S834-F843 WeakPolarHBondContact OG-CE2 3.49Å; S834-F843 WeakPolarHBondContact OG-CZ 3.41Å; S834-I845 WeakPolarHBondContact OG-CD1 3.36Å
835	R	38.2	Very low	36.8	Very low	176 Å²	176	92.5 Å²	92.5	66%	0.664	48%	0.481	S	S	*	.			trans	-78.4	98.7	172.1	-171.1	-178.1	-73.9	172.3	-4.3	109.1	K837 E842	R835-K837 PolarHBondContact O-N 2.89Å; R835-E842 IonicContact CZ-OE1 2.74Å; R835-E842 IonicContact NE-OE1 3.74Å; R835-E842 PolarHBondContact NE-OE1 2.95Å; R835-E842 IonicContact NH2-OE1 3.2Å; R835-E842 PolarHBondContact NH2-OE1 2.89Å
836	N	39.6	Very low	38.1	Very low	80 Å²	80	89.6 Å²	89.6	43%	0.428	47%	0.466	S	S	.	.			trans	-70.5	111.7	-175.8	-167.4	18.5	0	0	0	111	S834 S838 N839 F843	S834-N836 PolarHBondContact O-N 2.84Å; N836-S838 PolarHBondContact O-N 2.75Å; N836-N839 PolarHBondContact O-N 3.45Å; N836-F843 HydrophobicContact CB-CE1 3.94Å; N836-F843 HydrophobicContact CB-CZ 4.22Å
837	K	36.8	Very low	39.4	Very low	193 Å²	193	86.1 Å²	86.1	84%	0.839	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.6	-165.6	-80.5	-172	175.7	-178.7	0	115.8	R835	R835-K837 PolarHBondContact O-N 2.89Å
838	S	38.4	Very low	40.2	Very low	86 Å²	86	81 Å²	81	60%	0.601	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-30.9	-176.9	62.1	0	0	0	0	115	N836	N836-S838 PolarHBondContact O-N 2.75Å
839	N	38.6	Very low	41.3	Very low	116 Å²	116	78.7 Å²	78.7	62%	0.62	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-8	-165.5	-70.8	51.9	0	0	0	114.8	N836 E841	N836-N839 PolarHBondContact O-N 3.45Å; N839-E841 HydrophobicContact CB-CG 4.15Å; N839-E841 PolarHBondContact O-N 2.78Å; N839-E841 VanDerWaalsContact O-N 3.16Å
840	G	36.2	Very low	41.7	Very low	62 Å²	62	79 Å²	79	64%	0.639	40%	0.402	S	S	*	.			trans	70.1	5.7	178.2	0	0	0	0	0	115.8
841	E	41.7	Very low	42.3	Very low	71 Å²	71	76.5 Å²	76.5	33%	0.332	39%	0.392	S	S	.	.			trans	-82.2	130.4	179.2	-50.5	-166.3	144.5	0	0	111.2	K813 N839	K813-E841 WeakPolarHBondContact CE-OE2 2.99Å; K813-E841 IonicContact NZ-OE1 2.68Å; K813-E841 PolarHBondContact NZ-OE1 2.62Å; K813-E841 IonicContact NZ-OE2 3.54Å; K813-E841 PolarHBondContact NZ-OE2 2.84Å; N839-E841 HydrophobicContact CB-CG 4.15Å; N839-E841 PolarHBondContact O-N 2.78Å; N839-E841 VanDerWaalsContact O-N 3.16Å
842	E	46	Very low	43.2	Very low	107 Å²	107	74.5 Å²	74.5	50%	0.5	39%	0.387	S	S	.	.			trans	-93.6	135.8	171.2	-57.5	-161.8	131.3	0	0	110.4	R835	R835-E842 IonicContact CZ-OE1 2.74Å; R835-E842 IonicContact NE-OE1 3.74Å; R835-E842 PolarHBondContact NE-OE1 2.95Å; R835-E842 IonicContact NH2-OE1 3.2Å; R835-E842 PolarHBondContact NH2-OE1 2.89Å
843	F	47.9	Very low	44	Very low	11 Å²	11	71.4 Å²	71.4	5%	0.048	38%	0.375	C	S	.	.			trans	-147.9	139.8	177.9	54.8	-85.1	0	0	0	109.1	I812 S834 N836 I845 W881 W884	I812-F843 WeakPolarHBondContact O-CA 2.98Å; I812-F843 WeakPolarHBondContact O-CB 3.29Å; S834-F843 WeakPolarHBondContact O-CE1 3.2Å; S834-F843 VanDerWaalsContact O-CZ 3.3Å; S834-F843 WeakPolarHBondContact O-CZ 3.48Å; S834-F843 WeakPolarHBondContact OG-CE2 3.49Å; S834-F843 WeakPolarHBondContact OG-CZ 3.41Å; N836-F843 HydrophobicContact CB-CE1 3.94Å; N836-F843 HydrophobicContact CB-CZ 4.22Å; F843-I845 HydrophobicContact CD2-CG1 4.16Å; F843-I845 HydrophobicContact CE2-CD1 4.1Å; F843-I845 HydrophobicContact CE2-CG1 4.08Å; F843-W881 HydrophobicContact CE2-CH2 4.01Å; F843-W881 HydrophobicContact CE2-CZ2 4.3Å; F843-W884 HydrophobicContact CB-CH2 4.08Å; F843-W884 HydrophobicContact CG-CH2 4.32Å
844	S	48	Very low	44.9	Very low	33 Å²	33	67.6 Å²	67.6	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.5	176	40.6	0	0	0	0	110.4	G811 I812	G811-S844 WeakPolarHBondContact CA-O 3.45Å; I812-S844 PolarHBondContact N-O 2.93Å; I812-S844 PolarHBondContact O-N 3.46Å; I812-S844 VanDerWaalsContact O-N 3.11Å
845	I	43.6	Very low	45.9	Very low	10 Å²	10	67.6 Å²	67.6	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	174.4	-61.9	178.7	0	0	0	108.6	Q809 L810 Y831 I832 S834 F843 W881	Q809-I845 HydrophobicContact CB-CG2 3.91Å; Q809-I845 HydrophobicContact CG-CG2 3.98Å; L810-I845 WeakPolarHBondContact O-CA 3.4Å; Y831-I845 WeakPolarHBondContact CD1-O 3.43Å; I832-I845 WeakPolarHBondContact O-CB 3.41Å; S834-I845 WeakPolarHBondContact OG-CD1 3.36Å; F843-I845 HydrophobicContact CD2-CG1 4.16Å; F843-I845 HydrophobicContact CE2-CD1 4.1Å; F843-I845 HydrophobicContact CE2-CG1 4.08Å; I845-W881 HydrophobicContact CD1-CH2 4.39Å
846	L	52.6	Low	46.7	Very low	17 Å²	17	63.6 Å²	63.6	9%	0.089	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-80	154.9	169.5	-83.2	150.6	0	0	0	111.3	L810 I812 Y831 F857 L862	L810-L846 HydrophobicContact CB-CB 4.25Å; L810-L846 HydrophobicContact CB-CD1 4.06Å; L810-L846 HydrophobicContact CD2-CD1 3.6Å; L810-L846 HydrophobicContact CG-CD1 4.38Å; L810-L846 PolarHBondContact O-N 3.26Å; I812-L846 HydrophobicContact CD1-CD1 3.76Å; I812-L846 HydrophobicContact CG1-CD1 4.35Å; Y831-L846 HydrophobicContact CE1-CD2 3.71Å; Y831-L846 HydrophobicContact CE1-CG 4.1Å; L846-F857 HydrophobicContact CD1-CE1 4.36Å; L846-F857 HydrophobicContact CD1-CZ 4.15Å; L846-L862 HydrophobicContact CD1-CD1 4.23Å; L846-L862 HydrophobicContact CD2-CD1 4.24Å; L846-L862 HydrophobicContact CD2-CD2 4.34Å
847	P	50	Low	47.7	Very low	57 Å²	57	61.5 Å²	61.5	37%	0.37	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-61.2	164.7	-179.5	26.6	-35.6	0	0	0	112.9	E830 I849	E830-P847 WeakPolarHBondContact OE2-CB 3.43Å; P847-I849 PolarHBondContact O-N 3.26Å
848	N	41.2	Very low	48.4	Very low	60 Å²	60	56.2 Å²	56.2	32%	0.321	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-58.8	118.8	-171.8	-65.2	-4.1	0	0	0	111.8	Y808 Q809 Y850	Y808-N848 CarbonylContact O-C 3.57Å; Y808-N848 WeakPolarHBondContact O-CA 3.19Å; Q809-N848 WeakPolarHBondContact CG-OD1 3.2Å; Q809-N848 PolarHBondContact NE2-OD1 2.69Å; N848-Y850 HydrophobicContact CB-CD2 4.44Å; N848-Y850 HydrophobicContact CB-CE2 3.76Å; N848-Y850 VanDerWaalsContact O-CD2 3.23Å; N848-Y850 WeakPolarHBondContact O-CD2 3.5Å; N848-Y850 WeakPolarHBondContact O-CE2 3.42Å
849	I	49.1	Very low	49.1	Very low	22 Å²	22	53.1 Å²	53.1	11%	0.113	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119	167.8	-59.2	161.9	0	0	0	106.6	W796 Y808 L810 P847 N852 I855 F857	W796-I849 HydrophobicContact CH2-CD1 4.47Å; Y808-I849 WeakPolarHBondContact CD2-O 3.46Å; Y808-I849 PolarHBondContact N-O 3.4Å; Y808-I849 PolarHBondContact O-N 2.91Å; L810-I849 HydrophobicContact CB-CD1 4.35Å; P847-I849 PolarHBondContact O-N 3.26Å; I849-N852 HydrophobicContact CG2-CB 3.96Å; I849-I855 HydrophobicContact CD1-CD1 3.82Å; I849-I855 HydrophobicContact CD1-CG2 4.46Å; I849-I855 HydrophobicContact CG1-CD1 4.12Å; I849-I855 HydrophobicContact CG2-CD1 4.47Å; I849-F857 HydrophobicContact CD1-CZ 4.41Å
850	Y	39.8	Very low	49.7	Very low	114 Å²	114	55.3 Å²	55.3	45%	0.447	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.4	-179.7	-62.5	-104.8	0	0	0	109.4	H807 N848 N852	H807-Y850 AromaticContact CD2-CD1 3.45Å; H807-Y850 VanDerWaalsContact CD2-CD1 3.45Å; H807-Y850 WeakPolarHBondContact CD2-CD1 3.49Å; H807-Y850 AromaticContact CD2-CE1 3.17Å; H807-Y850 WeakPolarHBondContact CD2-CE1 3.37Å; H807-Y850 AromaticContact CD2-CZ 3.98Å; H807-Y850 AromaticContact NE2-CD1 3.54Å; H807-Y850 AromaticContact NE2-CE1 3.28Å; H807-Y850 VanDerWaalsContact NE2-CE1 3.28Å; H807-Y850 WeakPolarHBondContact NE2-CE1 3.42Å; N848-Y850 HydrophobicContact CB-CD2 4.44Å; N848-Y850 HydrophobicContact CB-CE2 3.76Å; N848-Y850 VanDerWaalsContact O-CD2 3.23Å; N848-Y850 WeakPolarHBondContact O-CD2 3.5Å; N848-Y850 WeakPolarHBondContact O-CE2 3.42Å; Y850-N852 PolarHBondContact O-N 3.48Å; Y850-N852 PolarHBondContact O-ND2 3.02Å
851	D	45.8	Very low	50.2	Low	51 Å²	51	58.2 Å²	58.2	27%	0.273	30%	0.295	S	S	.	.	S	Bend	trans	58.7	-13.5	166.3	-58.6	-40.5	0	0	0	119.2	D86 E805 L806	D86-D851 HydrophobicContact CB-CB 4.02Å; E805-D851 WeakPolarHBondContact CA-OD1 3.34Å; E805-D851 WeakPolarHBondContact CB-OD1 3.45Å; L806-D851 PolarHBondContact N-OD1 3.39Å; L806-D851 WeakPolarHBondContact O-CA 3.45Å; L806-D851 PolarHBondContact O-N 3.26Å
852	N	52.2	Low	50.8	Low	43 Å²	43	56.2 Å²	56.2	23%	0.23	29%	0.286	C	S	.	.			trans	-81.6	126.3	-175.2	-80	-91.5	0	0	0	112.8	H84 D86 W796 Y808 I849 Y850 S854	H84-N852 PolarHBondContact CE1-OD1 2.9Å; D86-N852 PolarHBondContact OD2-ND2 3.32Å; W796-N852 WeakPolarHBondContact CZ2-O 3.45Å; Y808-N852 WeakPolarHBondContact CD2-O 3.41Å; Y808-N852 WeakPolarHBondContact CE2-O 3.29Å; I849-N852 HydrophobicContact CG2-CB 3.96Å; Y850-N852 PolarHBondContact O-N 3.48Å; Y850-N852 PolarHBondContact O-ND2 3.02Å; N852-S854 VanDerWaalsContact C-N 3.34Å
853	S	56.9	Low	51.7	Low	48 Å²	48	51.2 Å²	51.2	34%	0.336	26%	0.263	S	S	.	.	S	Bend	trans	-86.2	-3.2	172.8	65.6	0	0	0	0	113.9	K795 W796	K795-S853 CarbonylContact C-O 3.53Å; K795-S853 WeakPolarHBondContact CA-O 3.32Å; W796-S853 PolarHBondContact N-O 3.26Å; W796-S853 WeakPolarHBondContact O-CB 3.23Å
854	S	59.3	Low	52.4	Low	23 Å²	23	56.2 Å²	56.2	16%	0.161	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151	176.2	47	0	0	0	0	112.2	I794 N852	I794-S854 CarbonylContact O-C 3.56Å; I794-S854 WeakPolarHBondContact O-CA 3.49Å; I794-S854 WeakPolarHBondContact O-CB 3.47Å; N852-S854 VanDerWaalsContact C-N 3.34Å
855	I	62.9	Low	53.1	Low	39 Å²	39	55.7 Å²	55.7	20%	0.2	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	147.4	-177.7	-172.7	157.9	0	0	0	111.2	H793 I794 W796 I849 F857	H793-I855 PolarHBondContact CD2-O 3.26Å; I794-I855 HydrophobicContact CB-CG2 4.2Å; I794-I855 PolarHBondContact N-O 3.23Å; I794-I855 PolarHBondContact O-N 2.96Å; W796-I855 HydrophobicContact CH2-CG2 3.94Å; W796-I855 HydrophobicContact CZ3-CG2 3.93Å; I849-I855 HydrophobicContact CD1-CD1 3.82Å; I849-I855 HydrophobicContact CD1-CG2 4.46Å; I849-I855 HydrophobicContact CG1-CD1 4.12Å; I849-I855 HydrophobicContact CG2-CD1 4.47Å; I855-F857 HydrophobicContact CB-CE2 4.24Å; I855-F857 HydrophobicContact CD1-CE1 3.86Å; I855-F857 HydrophobicContact CD1-CE2 4Å; I855-F857 HydrophobicContact CD1-CZ 3.46Å; I855-F857 VanDerWaalsContact CD1-CZ 3.46Å; I855-F857 HydrophobicContact CG1-CD2 4.34Å; I855-F857 HydrophobicContact CG1-CE1 4.25Å; I855-F857 HydrophobicContact CG1-CE2 3.86Å; I855-F857 HydrophobicContact CG1-CZ 3.83Å; I855-F857 HydrophobicContact CG2-CD2 4.11Å; I855-F857 HydrophobicContact CG2-CE2 3.39Å; I855-F857 HydrophobicContact CG2-CZ 3.98Å
856	I	53.2	Low	54.1	Low	93 Å²	93	59.1 Å²	59.1	48%	0.477	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.3	174.4	-58.4	176	0	0	0	108.3	L785 V792 H793	L785-I856 HydrophobicContact CD1-CG2 4.18Å; V792-I856 WeakPolarHBondContact O-CA 3.29Å; H793-I856 HydrophobicContact CB-CG1 4.07Å
857	F	61.5	Low	54.9	Low	35 Å²	35	59.8 Å²	59.8	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	173.5	-64.1	-79.1	0	0	0	110.2	A791 V792 I794 L810 L846 I849 I855	A791-F857 CarbonylContact C-O 3.36Å; A791-F857 VanDerWaalsContact CA-O 3.27Å; A791-F857 WeakPolarHBondContact CA-O 3.3Å; V792-F857 PolarHBondContact N-O 3.09Å; V792-F857 PolarHBondContact O-N 3.47Å; I794-F857 HydrophobicContact CD1-CD2 3.96Å; I794-F857 HydrophobicContact CD1-CE2 4.02Å; L810-F857 HydrophobicContact CD2-CD2 4.4Å; L810-F857 HydrophobicContact CD2-CE2 3.56Å; L810-F857 HydrophobicContact CD2-CZ 3.97Å; L846-F857 HydrophobicContact CD1-CE1 4.36Å; L846-F857 HydrophobicContact CD1-CZ 4.15Å; I849-F857 HydrophobicContact CD1-CZ 4.41Å; I855-F857 HydrophobicContact CB-CE2 4.24Å; I855-F857 HydrophobicContact CD1-CE1 3.86Å; I855-F857 HydrophobicContact CD1-CE2 4Å; I855-F857 HydrophobicContact CD1-CZ 3.46Å; I855-F857 VanDerWaalsContact CD1-CZ 3.46Å; I855-F857 HydrophobicContact CG1-CD2 4.34Å; I855-F857 HydrophobicContact CG1-CE1 4.25Å; I855-F857 HydrophobicContact CG1-CE2 3.86Å; I855-F857 HydrophobicContact CG1-CZ 3.83Å; I855-F857 HydrophobicContact CG2-CD2 4.11Å; I855-F857 HydrophobicContact CG2-CE2 3.39Å; I855-F857 HydrophobicContact CG2-CZ 3.98Å
858	D	51.7	Low	56.1	Low	83 Å²	83	58 Å²	58	44%	0.444	29%	0.29	S	S	.	.			trans	-125.6	81.8	163.6	-171.7	21.4	0	0	0	109.3	A791	A791-D858 HydrophobicContact CB-CB 3.72Å; A791-D858 PolarHBondContact N-OD1 2.79Å
859	S	52.6	Low	57.9	Low	20 Å²	20	55.8 Å²	55.8	14%	0.14	28%	0.277	C	S	.	.			trans	-126.2	124	176.8	170.9	0	0	0	0	109.6	D861 L862	S859-D861 WeakPolarHBondContact OG-CA 3.43Å; S859-D861 WeakPolarHBondContact OG-CB 3.37Å; S859-D861 PolarHBondContact OG-N 2.63Å; S859-D861 PolarHBondContact OG-OD2 2.76Å; S859-L862 PolarHBondContact OG-N 3.18Å; S859-L862 VanDerWaalsContact OG-N 3.12Å
860	R	52.3	Low	59.3	Low	163 Å²	163	55 Å²	55	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.5	169.5	-47.2	-173.9	-168	178.3	1.6	111.9	M790 F863 N897	M790-R860 HydrophobicContact CE-CB 4.01Å; M790-R860 HydrophobicContact CE-CG 4.39Å; M790-R860 HydrophobicContact SD-CB 4.03Å; M790-R860 HydrophobicContact SD-CG 3.78Å; R860-F863 CarbonylContact C-O 3.52Å; R860-F863 VanDerWaalsContact O-O 3.13Å; R860-N897 PolarHBondContact NH1-OD1 2.9Å; R860-N897 VanDerWaalsContact NH1-OD1 3.1Å
861	D	45.2	Very low	61.3	Low	123 Å²	123	49.6 Å²	49.6	66%	0.658	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-27.5	-175.3	-30.5	-88.5	0	0	0	110.5	S859	S859-D861 WeakPolarHBondContact OG-CA 3.43Å; S859-D861 WeakPolarHBondContact OG-CB 3.37Å; S859-D861 PolarHBondContact OG-N 2.63Å; S859-D861 PolarHBondContact OG-OD2 2.76Å
862	L	55.1	Low	63	Low	28 Å²	28	48.3 Å²	48.3	15%	0.147	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-34.7	174.5	-71.5	173.8	0	0	0	113.9	I812 Y831 L846 S859	I812-L862 HydrophobicContact CD1-CB 4.44Å; I812-L862 HydrophobicContact CD1-CD1 4.46Å; I812-L862 HydrophobicContact CD1-CD2 3.95Å; Y831-L862 HydrophobicContact CE1-CD2 4Å; L846-L862 HydrophobicContact CD1-CD1 4.23Å; L846-L862 HydrophobicContact CD2-CD1 4.24Å; L846-L862 HydrophobicContact CD2-CD2 4.34Å; S859-L862 PolarHBondContact OG-N 3.18Å; S859-L862 VanDerWaalsContact OG-N 3.12Å
863	F	65	Low	64.2	Low	3 Å²	3	46.3 Å²	46.3	1%	0.013	23%	0.233	C	C	.	.	S	Bend	trans	-115	135.3	178.5	-54.5	-59.8	0	0	0	109.6	M790 V792 R860 Y869 F890	M790-F863 HydrophobicContact CE-CB 4.45Å; M790-F863 WeakPolarHBondContact CE-O 3.37Å; V792-F863 HydrophobicContact CB-CE2 4.21Å; V792-F863 HydrophobicContact CG2-CD2 4.44Å; V792-F863 HydrophobicContact CG2-CE2 3.88Å; V792-F863 HydrophobicContact CG2-CZ 4.31Å; R860-F863 CarbonylContact C-O 3.52Å; R860-F863 VanDerWaalsContact O-O 3.13Å; F863-Y869 HydrophobicContact CB-CD2 4.48Å; F863-Y869 HydrophobicContact CB-CE2 4.14Å; F863-Y869 HydrophobicContact CD1-CD1 4.03Å; F863-Y869 AromaticContact CD1-CD2 3.81Å; F863-Y869 HydrophobicContact CD1-CD2 3.81Å; F863-Y869 HydrophobicContact CD1-CE1 4.33Å; F863-Y869 HydrophobicContact CD1-CE2 4.13Å; F863-Y869 AromaticContact CD1-CG 3.75Å; F863-Y869 HydrophobicContact CD1-CG 3.75Å; F863-Y869 HydrophobicContact CE1-CD1 4.48Å; F863-Y869 HydrophobicContact CE1-CG 4.22Å; F863-F890 HydrophobicContact CB-CD2 4.33Å; F863-F890 HydrophobicContact CB-CE2 3.81Å; F863-F890 HydrophobicContact CB-CZ 4.17Å; F863-F890 AromaticContact CD1-CE2 3.96Å; F863-F890 HydrophobicContact CD1-CE2 3.96Å; F863-F890 HydrophobicContact CD1-CZ 4.45Å; F863-F890 HydrophobicContact CD2-CE2 4.41Å; F863-F890 HydrophobicContact CD2-CZ 4.16Å; F863-F890 AromaticContact CG-CE2 3.81Å; F863-F890 HydrophobicContact CG-CE2 3.81Å; F863-F890 HydrophobicContact CG-CZ 4.01Å
864	Q	62.4	Low	65.1	Low	115 Å²	115	44.9 Å²	44.9	54%	0.537	22%	0.222	S	C	.	.			trans	-99.7	148.5	172.7	-67.9	-176.8	-13.9	0	0	111	Y869	Q864-Y869 PolarHBondContact N-OH 2.72Å
865	P	62	Low	65.9	Low	23 Å²	23	43.8 Å²	43.8	15%	0.149	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	160.4	164.9	-22.7	35.4	0	0	0	111.7	M790 N867 M893 D895	M790-P865 HydrophobicContact CE-CG 4.19Å; P865-N867 PolarHBondContact O-N 2.82Å; P865-N867 PolarHBondContact O-ND2 2.97Å; P865-M893 HydrophobicContact CB-CB 3.99Å; P865-D895 HydrophobicContact CB-CB 4.48Å; P865-D895 HydrophobicContact CG-CB 4.03Å
866	Q	64.9	Low	66.2	Low	81 Å²	81	44.4 Å²	44.4	38%	0.379	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	29.5	178.7	-54.9	-162.3	-19.5	0	0	115.6	F890 M893	Q866-F890 PolarHBondContact N-O 3.25Å; Q866-F890 VanDerWaalsContact N-O 3.15Å; Q866-M893 WeakPolarHBondContact CG-O 3.43Å
867	N	69.7	Low	67.1	Low	32 Å²	32	43.3 Å²	43.3	17%	0.171	21%	0.211	C	C	.	.			trans	-141.4	153.9	-177.5	-74.1	-78.5	0	0	0	112.3	H814 P865 Y869 F890	H814-N867 PolarHBondContact NE2-OD1 2.88Å; P865-N867 PolarHBondContact O-N 2.82Å; P865-N867 PolarHBondContact O-ND2 2.97Å; N867-Y869 HydrophobicContact CB-CD2 4.49Å; N867-Y869 HydrophobicContact CB-CE2 3.72Å; N867-F890 WeakPolarHBondContact O-CB 3.41Å; N867-F890 WeakPolarHBondContact O-CD2 3.45Å; N867-F890 PolarHBondContact O-N 3.15Å
868	S	74.5	Confident	67.6	Low	18 Å²	18	43.9 Å²	43.9	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.1	171.5	-78.9	0	0	0	0	111.6	L815 V888 N889	L815-S868 WeakPolarHBondContact CB-O 3.34Å; L815-S868 PolarHBondContact N-O 3.11Å; S868-V888 WeakPolarHBondContact CA-O 3.33Å; S868-N889 PolarHBondContact OG-OD1 2.68Å
869	Y	79	Confident	68.6	Low	14 Å²	14	47.6 Å²	47.6	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.5	-178.3	-67.8	-94.2	0	0	0	112.2	I812 K813 H814 F863 Q864 N867 P887 V888 F890	I812-Y869 HydrophobicContact CG2-CD1 3.77Å; I812-Y869 HydrophobicContact CG2-CE1 4.39Å; K813-Y869 CarbonylContact O-C 3.57Å; K813-Y869 WeakPolarHBondContact O-CA 3.42Å; H814-Y869 HydrophobicContact CB-CD1 4.33Å; H814-Y869 HydrophobicContact CB-CE1 4.08Å; H814-Y869 AromaticContact CD2-CE1 3.81Å; H814-Y869 AromaticContact CD2-CZ 3.8Å; F863-Y869 HydrophobicContact CB-CD2 4.48Å; F863-Y869 HydrophobicContact CB-CE2 4.14Å; F863-Y869 HydrophobicContact CD1-CD1 4.03Å; F863-Y869 AromaticContact CD1-CD2 3.81Å; F863-Y869 HydrophobicContact CD1-CD2 3.81Å; F863-Y869 HydrophobicContact CD1-CE1 4.33Å; F863-Y869 HydrophobicContact CD1-CE2 4.13Å; F863-Y869 AromaticContact CD1-CG 3.75Å; F863-Y869 HydrophobicContact CD1-CG 3.75Å; F863-Y869 HydrophobicContact CE1-CD1 4.48Å; F863-Y869 HydrophobicContact CE1-CG 4.22Å; Q864-Y869 PolarHBondContact N-OH 2.72Å; N867-Y869 HydrophobicContact CB-CD2 4.49Å; N867-Y869 HydrophobicContact CB-CE2 3.72Å; Y869-P887 CarbonylContact O-C 3.35Å; Y869-P887 WeakPolarHBondContact O-CA 3.34Å; Y869-V888 PolarHBondContact N-O 2.89Å; Y869-V888 PolarHBondContact O-N 2.97Å; Y869-F890 AromaticContact CD2-CD2 3.83Å; Y869-F890 HydrophobicContact CD2-CD2 3.83Å; Y869-F890 AromaticContact CD2-CE2 3.83Å; Y869-F890 HydrophobicContact CD2-CE2 3.83Å; Y869-F890 HydrophobicContact CE2-CD2 4.16Å; Y869-F890 HydrophobicContact CE2-CE2 4.4Å
870	S	80.3	Confident	69.5	Low	7 Å²	7	49.4 Å²	49.4	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.9	169	-179.3	0	0	0	0	110	K813 T885	K813-S870 PolarHBondContact N-O 3.04Å; K813-S870 PolarHBondContact O-N 2.73Å; S870-T885 PolarHBondContact OG-N 2.94Å; S870-T885 PolarHBondContact OG-O 2.76Å
871	L	82	Confident	70.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.5	-168.1	-68.8	148.2	0	0	0	110	V782 I794 L810 G811 I812 W884 T885 V888	V782-L871 HydrophobicContact CG1-CD1 3.87Å; V782-L871 HydrophobicContact CG2-CD1 4.03Å; I794-L871 HydrophobicContact CD1-CD1 3.84Å; I794-L871 HydrophobicContact CD1-CD2 3.97Å; I794-L871 HydrophobicContact CD1-CG 4.37Å; I794-L871 HydrophobicContact CG1-CD1 4.4Å; L810-L871 HydrophobicContact CD2-CD2 3.89Å; L810-L871 HydrophobicContact CG-CD2 4.33Å; G811-L871 CarbonylContact O-C 3.5Å; G811-L871 WeakPolarHBondContact O-CA 3.4Å; I812-L871 HydrophobicContact CB-CD2 4.45Å; I812-L871 HydrophobicContact CG1-CD2 3.77Å; L871-W884 WeakPolarHBondContact O-CA 3.42Å; L871-T885 HydrophobicContact CB-CG2 3.94Å; L871-T885 PolarHBondContact N-OG1 3.36Å; L871-T885 WeakPolarHBondContact O-CG2 3.36Å; L871-T885 PolarHBondContact O-N 3.11Å; L871-V888 HydrophobicContact CD1-CG2 4.32Å
872	R	79.7	Confident	72.6	Confident	23 Å²	23	39.8 Å²	39.8	9%	0.087	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	166.9	170.3	66.9	177.2	177.4	150.8	2.6	111.4	L810 G811 W881 S882 W884	L810-R872 WeakPolarHBondContact CA-O 3.25Å; L810-R872 WeakPolarHBondContact CD1-O 3.32Å; G811-R872 PolarHBondContact N-O 2.76Å; G811-R872 PolarHBondContact O-N 3.16Å; R872-W881 VanDerWaalsContact CD-CE3 3.46Å; R872-W881 HydrophobicContact CG-CE3 3.71Å; R872-W881 HydrophobicContact CG-CZ3 3.75Å; R872-S882 WeakPolarHBondContact CA-OG 3.4Å; R872-S882 WeakPolarHBondContact CB-OG 3.29Å; R872-W884 HydrophobicContact CB-CD2 4.2Å; R872-W884 HydrophobicContact CB-CE3 3.81Å; R872-W884 HydrophobicContact CB-CZ3 4.08Å; R872-W884 HydrophobicContact CG-CD2 4.12Å; R872-W884 HydrophobicContact CG-CE3 3.73Å; R872-W884 HydrophobicContact CG-CH2 3.76Å; R872-W884 HydrophobicContact CG-CZ2 4.19Å; R872-W884 HydrophobicContact CG-CZ3 3.54Å
873	V	77.8	Confident	73.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.1	179.6	-179	0	0	0	0	109.8	P780 W796 Y808 Q809 L810 W881 S882	P780-V873 HydrophobicContact CG-CG2 4.18Å; W796-V873 HydrophobicContact CD2-CB 4.45Å; W796-V873 HydrophobicContact CD2-CG1 4.37Å; W796-V873 HydrophobicContact CD2-CG2 3.67Å; W796-V873 HydrophobicContact CE3-CG2 3.63Å; W796-V873 HydrophobicContact CG-CG2 4.21Å; W796-V873 HydrophobicContact CH2-CG2 4.14Å; W796-V873 HydrophobicContact CZ2-CG1 4.11Å; W796-V873 HydrophobicContact CZ2-CG2 4.16Å; W796-V873 HydrophobicContact CZ3-CG2 3.87Å; Y808-V873 HydrophobicContact CD1-CG1 3.69Å; Y808-V873 HydrophobicContact CG-CG1 4.19Å; Q809-V873 CarbonylContact O-C 3.59Å; Q809-V873 WeakPolarHBondContact O-CA 3.28Å; L810-V873 HydrophobicContact CD1-CG2 3.92Å; V873-W881 CarbonylContact O-C 3.51Å; V873-W881 WeakPolarHBondContact O-CA 3.46Å; V873-S882 PolarHBondContact N-OG 2.87Å; V873-S882 PolarHBondContact O-N 3.18Å
874	L	76.5	Confident	74.6	Confident	19 Å²	19	44.4 Å²	44.4	10%	0.099	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.4	164.1	170.6	60.1	0	0	0	108.9	Y808 Q809 L876 W881	Y808-L874 CarbonylContact C-O 3.32Å; Y808-L874 VanDerWaalsContact CA-O 3.25Å; Y808-L874 WeakPolarHBondContact CA-O 3.09Å; Q809-L874 HydrophobicContact CB-CB 4.21Å; Q809-L874 PolarHBondContact N-O 3.33Å; Q809-L874 PolarHBondContact O-N 2.93Å; L874-L876 HydrophobicContact CD2-CD2 3.76Å; L874-L876 HydrophobicContact CG-CD2 4.19Å; L874-L876 HydrophobicContact CG-CG 4.49Å; L874-W881 HydrophobicContact CB-CD2 3.8Å; L874-W881 HydrophobicContact CB-CE3 3.63Å; L874-W881 HydrophobicContact CB-CH2 3.84Å; L874-W881 HydrophobicContact CB-CZ2 3.99Å; L874-W881 HydrophobicContact CB-CZ3 3.65Å; L874-W881 HydrophobicContact CD1-CD2 4.09Å; L874-W881 HydrophobicContact CD1-CG 4.12Å; L874-W881 HydrophobicContact CD2-CH2 4.3Å; L874-W881 HydrophobicContact CD2-CZ2 3.86Å; L874-W881 HydrophobicContact CG-CD2 4.42Å; L874-W881 HydrophobicContact CG-CZ2 4.37Å
875	V	75.9	Confident	75.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.9	164.1	-172.6	0	0	0	0	108.1	V777 V798 L806 Y808 Q879 L880	V777-V875 HydrophobicContact CG1-CG2 4.32Å; V777-V875 HydrophobicContact CG2-CG2 3.57Å; V798-V875 HydrophobicContact CG2-CG2 3.94Å; L806-V875 HydrophobicContact CB-CG1 4.32Å; L806-V875 HydrophobicContact CD1-CG1 4.12Å; L806-V875 HydrophobicContact CD2-CG1 3.9Å; L806-V875 HydrophobicContact CG-CG1 4.35Å; Y808-V875 HydrophobicContact CD1-CG2 3.92Å; Y808-V875 HydrophobicContact CE1-CG1 4.46Å; Y808-V875 HydrophobicContact CE1-CG2 3.83Å; V875-Q879 CarbonylContact O-C 3.53Å; V875-Q879 VanDerWaalsContact O-CA 3.23Å; V875-Q879 WeakPolarHBondContact O-CA 3.42Å; V875-Q879 PolarHBondContact O-N 3.18Å; V875-L880 PolarHBondContact N-O 2.95Å; V875-L880 PolarHBondContact O-N 3.07Å
876	L	69.7	Low	76.2	Confident	52 Å²	52	44.5 Å²	44.5	27%	0.272	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-38.5	-166.2	-76.2	165	0	0	0	113.6	H807 Q809 L874 H878 Q879	H807-L876 HydrophobicContact CB-CB 4.18Å; H807-L876 HydrophobicContact CB-CD1 3.7Å; H807-L876 HydrophobicContact CB-CG 4.46Å; H807-L876 WeakPolarHBondContact O-CB 3.37Å; H807-L876 PolarHBondContact O-N 3.47Å; Q809-L876 HydrophobicContact CG-CD1 4.08Å; Q809-L876 HydrophobicContact CG-CD2 4.49Å; Q809-L876 HydrophobicContact CG-CG 4.48Å; L874-L876 HydrophobicContact CD2-CD2 3.76Å; L874-L876 HydrophobicContact CG-CD2 4.19Å; L874-L876 HydrophobicContact CG-CG 4.49Å; L876-H878 PolarHBondContact O-N 3.32Å; L876-Q879 WeakPolarHBondContact O-CG 3.31Å; L876-Q879 PolarHBondContact O-N 2.81Å
877	E	71.5	Confident	76.7	Confident	69 Å²	69	44.4 Å²	44.4	32%	0.322	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-42.6	-179.3	-63.7	74.5	-168	0	0	112	I803 L806 H807	I803-E877 HydrophobicContact CD1-CB 3.66Å; I803-E877 HydrophobicContact CD1-CG 3.91Å; L806-E877 WeakPolarHBondContact CA-OE1 3.37Å; L806-E877 HydrophobicContact CD2-CB 4.2Å; L806-E877 HydrophobicContact CD2-CG 4.08Å; L806-E877 WeakPolarHBondContact CD2-OE2 3.36Å; H807-E877 IonicContact CE1-OE1 2.59Å; H807-E877 IonicContact CG-OE1 2.66Å; H807-E877 PolarHBondContact N-OE1 3.29Å; H807-E877 PolarHBondContact N-OE2 2.96Å; H807-E877 VanDerWaalsContact N-OE2 3.12Å; H807-E877 IonicContact ND1-OE1 3.07Å; H807-E877 PolarHBondContact ND1-OE1 2.82Å
878	H	72	Confident	76.9	Confident	47 Å²	47	43.5 Å²	43.5	22%	0.218	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.7	-178.5	-58	-58	0	0	0	112.5	I775 S801 L876 L880	I775-H878 WeakPolarHBondContact CD1-CE1 3.46Å; S801-H878 PolarHBondContact OG-NE2 2.98Å; S801-H878 VanDerWaalsContact OG-NE2 3.09Å; L876-H878 PolarHBondContact O-N 3.32Å; H878-L880 HydrophobicContact CB-CB 3.97Å; H878-L880 HydrophobicContact CB-CD1 4.23Å; H878-L880 PolarHBondContact O-N 3.19Å; H878-L880 VanDerWaalsContact O-N 3.1Å
879	Q	72.4	Confident	76.7	Confident	162 Å²	162	45.9 Å²	45.9	76%	0.757	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.2	35.3	-170.4	-62.3	-166.2	-13.8	0	0	114.1	V875 L876	V875-Q879 CarbonylContact O-C 3.53Å; V875-Q879 VanDerWaalsContact O-CA 3.23Å; V875-Q879 WeakPolarHBondContact O-CA 3.42Å; V875-Q879 PolarHBondContact O-N 3.18Å; L876-Q879 WeakPolarHBondContact O-CG 3.31Å; L876-Q879 PolarHBondContact O-N 2.81Å
880	L	72.3	Confident	76.2	Confident	58 Å²	58	45.2 Å²	45.2	30%	0.304	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.1	-164.1	-131.2	160.1	0	0	0	110	I775 V777 V875 H878	I775-L880 HydrophobicContact CB-CD1 4.36Å; I775-L880 HydrophobicContact CG2-CD1 4.4Å; I775-L880 WeakPolarHBondContact O-CD1 3.49Å; V777-L880 HydrophobicContact CG2-CB 4.21Å; V777-L880 HydrophobicContact CG2-CD2 4.17Å; V875-L880 PolarHBondContact N-O 2.95Å; V875-L880 PolarHBondContact O-N 3.07Å; H878-L880 HydrophobicContact CB-CB 3.97Å; H878-L880 HydrophobicContact CB-CD1 4.23Å; H878-L880 PolarHBondContact O-N 3.19Å; H878-L880 VanDerWaalsContact O-N 3.1Å
881	W	78.7	Confident	75.4	Confident	78 Å²	78	48.1 Å²	48.1	30%	0.295	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.1	175.1	-72.9	96.4	0	0	0	111.4	F843 I845 R872 V873 L874	F843-W881 HydrophobicContact CE2-CH2 4.01Å; F843-W881 HydrophobicContact CE2-CZ2 4.3Å; I845-W881 HydrophobicContact CD1-CH2 4.39Å; R872-W881 VanDerWaalsContact CD-CE3 3.46Å; R872-W881 HydrophobicContact CG-CE3 3.71Å; R872-W881 HydrophobicContact CG-CZ3 3.75Å; V873-W881 CarbonylContact O-C 3.51Å; V873-W881 WeakPolarHBondContact O-CA 3.46Å; L874-W881 HydrophobicContact CB-CD2 3.8Å; L874-W881 HydrophobicContact CB-CE3 3.63Å; L874-W881 HydrophobicContact CB-CH2 3.84Å; L874-W881 HydrophobicContact CB-CZ2 3.99Å; L874-W881 HydrophobicContact CB-CZ3 3.65Å; L874-W881 HydrophobicContact CD1-CD2 4.09Å; L874-W881 HydrophobicContact CD1-CG 4.12Å; L874-W881 HydrophobicContact CD2-CH2 4.3Å; L874-W881 HydrophobicContact CD2-CZ2 3.86Å; L874-W881 HydrophobicContact CG-CD2 4.42Å; L874-W881 HydrophobicContact CG-CZ2 4.37Å
882	S	83	Confident	74.1	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.042	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67	157.5	163.5	81.8	0	0	0	0	111	S778 P780 R872 V873	S778-S882 WeakPolarHBondContact O-CB 3.31Å; P780-S882 WeakPolarHBondContact CD-OG 3.22Å; P780-S882 WeakPolarHBondContact CG-OG 3.35Å; R872-S882 WeakPolarHBondContact CA-OG 3.4Å; R872-S882 WeakPolarHBondContact CB-OG 3.29Å; V873-S882 PolarHBondContact N-OG 2.87Å; V873-S882 PolarHBondContact O-N 3.18Å
883	P	81.8	Confident	73	Confident	66 Å²	66	53 Å²	53	43%	0.429	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-56.5	152	160.5	-20.8	32.2	0	0	0	111.6	R779 P780	R779-P883 HydrophobicContact CB-CB 4.19Å; R779-P883 HydrophobicContact CB-CG 4.29Å; R779-P883 HydrophobicContact CG-CB 4.15Å; P780-P883 VanDerWaalsContact CD-O 3.25Å; P780-P883 WeakPolarHBondContact CD-O 3.47Å
884	W	80.1	Confident	71.8	Confident	62 Å²	62	54 Å²	54	24%	0.235	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.6	170	-75.4	115.1	0	0	0	111.3	R779 K813 F843 L871 R872	R779-W884 PolarHBondContact NE-O 2.95Å; R779-W884 PolarHBondContact NH2-O 2.91Å; K813-W884 HydrophobicContact CB-CE3 4.14Å; K813-W884 HydrophobicContact CB-CH2 3.4Å; K813-W884 VanDerWaalsContact CB-CH2 3.4Å; K813-W884 HydrophobicContact CB-CZ2 4.03Å; K813-W884 HydrophobicContact CB-CZ3 3.44Å; K813-W884 VanDerWaalsContact CB-CZ3 3.44Å; K813-W884 HydrophobicContact CD-CD2 4.48Å; K813-W884 HydrophobicContact CD-CH2 4.22Å; K813-W884 HydrophobicContact CD-CZ2 3.99Å; K813-W884 HydrophobicContact CG-CH2 4.43Å; F843-W884 HydrophobicContact CB-CH2 4.08Å; F843-W884 HydrophobicContact CG-CH2 4.32Å; L871-W884 WeakPolarHBondContact O-CA 3.42Å; R872-W884 HydrophobicContact CB-CD2 4.2Å; R872-W884 HydrophobicContact CB-CE3 3.81Å; R872-W884 HydrophobicContact CB-CZ3 4.08Å; R872-W884 HydrophobicContact CG-CD2 4.12Å; R872-W884 HydrophobicContact CG-CE3 3.73Å; R872-W884 HydrophobicContact CG-CH2 3.76Å; R872-W884 HydrophobicContact CG-CZ2 4.19Å; R872-W884 HydrophobicContact CG-CZ3 3.54Å
885	T	82.1	Confident	70.6	Confident	7 Å²	7	59 Å²	59	4%	0.043	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.2	169.8	175.5	68	0	0	0	0	111.6	P780 V782 S870 L871	P780-T885 HydrophobicContact CB-CG2 3.66Å; P780-T885 HydrophobicContact CG-CG2 3.89Å; P780-T885 WeakPolarHBondContact O-CG2 3.37Å; V782-T885 HydrophobicContact CG2-CG2 3.43Å; V782-T885 VanDerWaalsContact CG2-CG2 3.43Å; S870-T885 PolarHBondContact OG-N 2.94Å; S870-T885 PolarHBondContact OG-O 2.76Å; L871-T885 HydrophobicContact CB-CG2 3.94Å; L871-T885 PolarHBondContact N-OG1 3.36Å; L871-T885 WeakPolarHBondContact O-CG2 3.36Å; L871-T885 PolarHBondContact O-N 3.11Å
886	E	77.1	Confident	69.2	Low	132 Å²	132	60.7 Å²	60.7	62%	0.617	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-68.2	156.6	164.4	-57.3	-168.2	166.8	0	0	110.4	R779 V888	R779-E886 IonicContact CZ-OE1 3.34Å; R779-E886 VanDerWaalsContact NH1-CG 3.29Å; R779-E886 IonicContact NH1-OE1 2.65Å; R779-E886 PolarHBondContact NH1-OE1 2.94Å; E886-V888 PolarHBondContact O-N 3.23Å
887	P	74.8	Confident	68	Low	80 Å²	80	60.9 Å²	60.9	52%	0.519	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66.2	123.1	-178.5	-21	34.2	0	0	0	111.9	L815 Y869	L815-P887 HydrophobicContact CD1-CB 3.82Å; L815-P887 HydrophobicContact CD1-CG 3.81Å; Y869-P887 CarbonylContact O-C 3.35Å; Y869-P887 WeakPolarHBondContact O-CA 3.34Å
888	V	72.9	Confident	66.7	Low	13 Å²	13	58.4 Å²	58.4	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.9	162.7	-174.5	0	0	0	0	107.6	V782 R784 V792 S868 Y869 L871 E886 F890	V782-V888 HydrophobicContact CB-CG2 4.19Å; V782-V888 HydrophobicContact CG1-CG2 3.38Å; R784-V888 HydrophobicContact CG-CG1 3.64Å; V792-V888 HydrophobicContact CG2-CG1 4.28Å; S868-V888 WeakPolarHBondContact CA-O 3.33Å; Y869-V888 PolarHBondContact N-O 2.89Å; Y869-V888 PolarHBondContact O-N 2.97Å; L871-V888 HydrophobicContact CD1-CG2 4.32Å; E886-V888 PolarHBondContact O-N 3.23Å; V888-F890 HydrophobicContact CB-CE2 4.39Å; V888-F890 HydrophobicContact CB-CZ 4.5Å; V888-F890 HydrophobicContact CG1-CE1 4.09Å; V888-F890 HydrophobicContact CG1-CE2 3.85Å; V888-F890 HydrophobicContact CG1-CZ 3.56Å
889	N	71.1	Confident	65.4	Low	67 Å²	67	58 Å²	58	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.1	-175.7	-163.7	-9.6	0	0	0	112.5	R784 S868 D891	R784-N889 PolarHBondContact NH1-O 3.28Å; R784-N889 VanDerWaalsContact NH1-O 3.08Å; S868-N889 PolarHBondContact OG-OD1 2.68Å; N889-D891 PolarHBondContact ND2-OD2 2.81Å; N889-D891 VanDerWaalsContact OD1-CB 3.24Å; N889-D891 WeakPolarHBondContact OD1-CB 3.3Å; N889-D891 PolarHBondContact OD1-N 2.84Å; N889-D891 PolarHBondContact OD1-OD1 3.17Å; N889-D891 VanDerWaalsContact OD1-OD1 3.11Å; N889-D891 PolarHBondContact OD1-OD2 2.91Å; N889-D891 VanDerWaalsContact OD1-OD2 3.1Å
890	F	68.5	Low	64.2	Low	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.			trans	-117.4	14.9	173.9	-53.1	-76.2	0	0	0	113.6	R784 V792 F863 Q866 N867 Y869 V888 N892 M893	R784-F890 HydrophobicContact CG-CE1 4.07Å; V792-F890 HydrophobicContact CG2-CE1 4.49Å; V792-F890 HydrophobicContact CG2-CZ 3.91Å; F863-F890 HydrophobicContact CB-CD2 4.33Å; F863-F890 HydrophobicContact CB-CE2 3.81Å; F863-F890 HydrophobicContact CB-CZ 4.17Å; F863-F890 AromaticContact CD1-CE2 3.96Å; F863-F890 HydrophobicContact CD1-CE2 3.96Å; F863-F890 HydrophobicContact CD1-CZ 4.45Å; F863-F890 HydrophobicContact CD2-CE2 4.41Å; F863-F890 HydrophobicContact CD2-CZ 4.16Å; F863-F890 AromaticContact CG-CE2 3.81Å; F863-F890 HydrophobicContact CG-CE2 3.81Å; F863-F890 HydrophobicContact CG-CZ 4.01Å; Q866-F890 PolarHBondContact N-O 3.25Å; Q866-F890 VanDerWaalsContact N-O 3.15Å; N867-F890 WeakPolarHBondContact O-CB 3.41Å; N867-F890 WeakPolarHBondContact O-CD2 3.45Å; N867-F890 PolarHBondContact O-N 3.15Å; Y869-F890 AromaticContact CD2-CD2 3.83Å; Y869-F890 HydrophobicContact CD2-CD2 3.83Å; Y869-F890 AromaticContact CD2-CE2 3.83Å; Y869-F890 HydrophobicContact CD2-CE2 3.83Å; Y869-F890 HydrophobicContact CE2-CD2 4.16Å; Y869-F890 HydrophobicContact CE2-CE2 4.4Å; V888-F890 HydrophobicContact CB-CE2 4.39Å; V888-F890 HydrophobicContact CB-CZ 4.5Å; V888-F890 HydrophobicContact CG1-CE1 4.09Å; V888-F890 HydrophobicContact CG1-CE2 3.85Å; V888-F890 HydrophobicContact CG1-CZ 3.56Å; F890-N892 PolarHBondContact O-N 2.84Å; F890-N892 VanDerWaalsContact O-N 3.08Å; F890-M893 HydrophobicContact CB-CG 4.33Å; F890-M893 WeakPolarHBondContact O-CB 3.28Å; F890-M893 PolarHBondContact O-N 2.79Å
891	D	62.7	Low	63	Low	69 Å²	69	51.4 Å²	51.4	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-35.5	178.8	-73	-13.5	0	0	0	114.1	N889 M893	N889-D891 PolarHBondContact ND2-OD2 2.81Å; N889-D891 VanDerWaalsContact OD1-CB 3.24Å; N889-D891 WeakPolarHBondContact OD1-CB 3.3Å; N889-D891 PolarHBondContact OD1-N 2.84Å; N889-D891 PolarHBondContact OD1-OD1 3.17Å; N889-D891 VanDerWaalsContact OD1-OD1 3.11Å; N889-D891 PolarHBondContact OD1-OD2 2.91Å; N889-D891 VanDerWaalsContact OD1-OD2 3.1Å; D891-M893 VanDerWaalsContact C-N 3.27Å; D891-M893 PolarHBondContact O-N 2.84Å
892	N	56	Low	61.5	Low	109 Å²	109	48.7 Å²	48.7	58%	0.583	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.4	-177.4	-60.6	6.3	0	0	0	114	F890	F890-N892 PolarHBondContact O-N 2.84Å; F890-N892 VanDerWaalsContact O-N 3.08Å
893	M	55.3	Low	60.1	Low	16 Å²	16	49.4 Å²	49.4	8%	0.079	26%	0.264	C	S	.	.			trans	-92.8	141.4	-175.4	-59.3	-71.8	-61.7	0	0	111.6	F788 M790 P865 Q866 F890 D891	F788-M893 WeakPolarHBondContact O-CE 3.33Å; M790-M893 HydrophobicContact CG-CE 4.28Å; P865-M893 HydrophobicContact CB-CB 3.99Å; Q866-M893 WeakPolarHBondContact CG-O 3.43Å; F890-M893 HydrophobicContact CB-CG 4.33Å; F890-M893 WeakPolarHBondContact O-CB 3.28Å; F890-M893 PolarHBondContact O-N 2.79Å; D891-M893 VanDerWaalsContact C-N 3.27Å; D891-M893 PolarHBondContact O-N 2.84Å
894	L	54.1	Low	58.8	Low	21 Å²	21	49.7 Å²	49.7	11%	0.11	26%	0.264	C	S	.	.			trans	-103.2	142.7	171.9	-63.6	163.1	0	0	0	110.6	T896 I1014 V1016 Y1027 T1029	L894-T896 HydrophobicContact CB-CG2 4.34Å; L894-T896 PolarHBondContact O-N 3.06Å; L894-I1014 HydrophobicContact CD1-CG2 3.86Å; L894-V1016 HydrophobicContact CD1-CB 3.9Å; L894-V1016 HydrophobicContact CD1-CG2 3.41Å; L894-V1016 VanDerWaalsContact CD1-CG2 3.41Å; L894-Y1027 HydrophobicContact CD2-CG 4.29Å; L894-T1029 PolarHBondContact N-OG1 2.87Å
895	D	51.1	Low	57.5	Low	124 Å²	124	48.3 Å²	48.3	66%	0.663	26%	0.263	S	S	*	.			trans	-76.9	87	170.4	-172.2	18.6	0	0	0	110.4	P865	P865-D895 HydrophobicContact CB-CB 4.48Å; P865-D895 HydrophobicContact CG-CB 4.03Å
896	T	46.7	Very low	56.3	Low	37 Å²	37	51 Å²	51	23%	0.227	28%	0.282	C	S	.	.			trans	-139.8	126.5	178.7	51.4	0	0	0	0	110	L894	L894-T896 HydrophobicContact CB-CG2 4.34Å; L894-T896 PolarHBondContact O-N 3.06Å
897	N	43.6	Very low	55.4	Low	56 Å²	56	48 Å²	48	30%	0.299	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.2	172.5	-73.6	-65.6	0	0	0	109.1	R860	R860-N897 PolarHBondContact NH1-OD1 2.9Å; R860-N897 VanDerWaalsContact NH1-OD1 3.1Å
898	L	44.5	Very low	54.6	Low	16 Å²	16	47.3 Å²	47.3	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.1	171.9	-84	100.7	0	0	0	110.4	W915 I916 Y917 L1031	L898-W915 HydrophobicContact CD2-CE3 3.56Å; L898-W915 HydrophobicContact CD2-CZ3 3.63Å; L898-I916 WeakPolarHBondContact CD2-O 3.33Å; L898-Y917 HydrophobicContact CD1-CD2 3.71Å; L898-Y917 HydrophobicContact CD1-CE2 4.04Å; L898-Y917 HydrophobicContact CD2-CD2 3.98Å; L898-Y917 HydrophobicContact CD2-CG 4.48Å; L898-Y917 HydrophobicContact CG-CD2 4.21Å; L898-L1031 CarbonylContact C-O 3.56Å; L898-L1031 HydrophobicContact CB-CB 3.91Å; L898-L1031 HydrophobicContact CB-CD2 4.41Å; L898-L1031 HydrophobicContact CD1-CD1 4.22Å; L898-L1031 HydrophobicContact CD1-CD2 3.84Å; L898-L1031 HydrophobicContact CD1-CG 4.47Å; L898-L1031 HydrophobicContact CD2-CD1 3.84Å; L898-L1031 HydrophobicContact CG-CD1 4.43Å; L898-L1031 VanDerWaalsContact O-O 3.06Å
899	Q	45.4	Very low	53.9	Low	40 Å²	40	48.9 Å²	48.9	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.2	168.7	-80.3	102.3	-16.2	0	0	110.2	N662 W915	N662-Q899 HydrophobicContact CB-CG 4.19Å; N662-Q899 PolarHBondContact O-NE2 3.15Å; N662-Q899 PolarHBondContact O-OE1 2.88Å; N662-Q899 PolarHBondContact OD1-NE2 2.88Å; Q899-W915 WeakPolarHBondContact O-CB 3.46Å
900	I	46.5	Very low	53.2	Low	28 Å²	28	45.8 Å²	45.8	14%	0.144	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.3	154.3	-71.9	171.3	0	0	0	107.6	S902 I903 W915 V1012 S1032 V1035	I900-S902 WeakPolarHBondContact CG2-O 3.4Å; I900-I903 HydrophobicContact CD1-CD1 4.37Å; I900-I903 HydrophobicContact CG2-CG1 3.92Å; I900-W915 HydrophobicContact CG1-CB 4.46Å; I900-V1012 HydrophobicContact CD1-CG2 3.99Å; I900-V1012 HydrophobicContact CG1-CG2 4.09Å; I900-S1032 VanDerWaalsContact CD1-CB 3.41Å; I900-S1032 WeakPolarHBondContact CD1-OG 3.14Å; I900-V1035 HydrophobicContact CD1-CG2 4.34Å; I900-V1035 HydrophobicContact CG2-CG2 4.49Å
901	I	47.6	Very low	52.9	Low	53 Å²	53	45.8 Å²	45.8	27%	0.272	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-45.7	179.9	-70.6	163.9	0	0	0	110.1	E659 E914 I916	E659-I901 HydrophobicContact CG-CD1 4.29Å; E659-I901 HydrophobicContact CG-CG1 4.3Å; E659-I901 HydrophobicContact CG-CG2 3.86Å; I901-E914 PolarHBondContact N-O 3.47Å; I901-I916 HydrophobicContact CD1-CB 3.71Å; I901-I916 HydrophobicContact CD1-CD1 3.44Å; I901-I916 VanDerWaalsContact CD1-CD1 3.44Å; I901-I916 HydrophobicContact CD1-CG1 3.36Å
902	S	46.2	Very low	53	Low	20 Å²	20	44.8 Å²	44.8	14%	0.14	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.3	177.7	83.4	0	0	0	0	110.9	I900 E914	I900-S902 WeakPolarHBondContact CG2-O 3.4Å; S902-E914 WeakPolarHBondContact CB-OE2 3.29Å; S902-E914 PolarHBondContact N-O 3.02Å; S902-E914 PolarHBondContact O-N 2.92Å; S902-E914 WeakPolarHBondContact OG-CB 3.29Å; S902-E914 WeakPolarHBondContact OG-CG 3.11Å; S902-E914 PolarHBondContact OG-OE2 2.74Å
903	I	54.1	Low	53.3	Low	22 Å²	22	39.6 Å²	39.6	11%	0.113	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126	149	-59.4	-164.8	0	0	0	106.5	I900 L911 Y912 I913 V1010 V1035 Q1037	I900-I903 HydrophobicContact CD1-CD1 4.37Å; I900-I903 HydrophobicContact CG2-CG1 3.92Å; I903-L911 HydrophobicContact CG2-CD2 4.42Å; I903-Y912 CarbonylContact C-O 3.54Å; I903-Y912 VanDerWaalsContact CA-O 3.27Å; I903-Y912 WeakPolarHBondContact CA-O 3.36Å; I903-I913 HydrophobicContact CD1-CG1 4.22Å; I903-I913 HydrophobicContact CD1-CG2 4.48Å; I903-I913 HydrophobicContact CG1-CG1 4.23Å; I903-I913 HydrophobicContact CG1-CG2 4.28Å; I903-I913 HydrophobicContact CG2-CG1 4.44Å; I903-V1010 HydrophobicContact CD1-CB 3.79Å; I903-V1010 HydrophobicContact CD1-CG1 3.97Å; I903-V1010 HydrophobicContact CD1-CG2 4.44Å; I903-V1035 HydrophobicContact CB-CG1 4.05Å; I903-V1035 HydrophobicContact CD1-CB 3.67Å; I903-V1035 HydrophobicContact CD1-CG1 3.74Å; I903-V1035 HydrophobicContact CG1-CB 4.26Å; I903-V1035 HydrophobicContact CG1-CG1 3.91Å; I903-Q1037 HydrophobicContact CG2-CB 3.98Å; I903-Q1037 HydrophobicContact CG2-CG 4.21Å
904	V	53.4	Low	53.5	Low	71 Å²	71	41.4 Å²	41.4	43%	0.43	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.6	-175.5	-171.7	0	0	0	0	109.5	S906 Y912	V904-S906 PolarHBondContact O-N 2.93Å; V904-Y912 PolarHBondContact N-O 2.65Å; V904-Y912 WeakPolarHBondContact O-CB 3.44Å; V904-Y912 PolarHBondContact O-N 3.45Å
905	T	53.4	Low	53.6	Low	34 Å²	34	40.6 Å²	40.6	21%	0.209	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.7	168.9	41.6	0	0	0	0	110.2	L911 Q1037 K1038 L1040	T905-L911 HydrophobicContact CG2-CD2 3.75Å; T905-Q1037 HydrophobicContact CG2-CG 3.67Å; T905-K1038 WeakPolarHBondContact CG2-O 3.32Å; T905-L1040 VanDerWaalsContact CB-CD1 3.48Å; T905-L1040 HydrophobicContact CG2-CD1 4.03Å; T905-L1040 WeakPolarHBondContact OG1-CD1 3.37Å
906	S	56.5	Low	53.6	Low	64 Å²	64	35.4 Å²	35.4	45%	0.448	19%	0.193	S	C	.	.			trans	-88.3	-27.6	177.3	51.4	0	0	0	0	113.2	V904 C910	V904-S906 PolarHBondContact O-N 2.93Å; S906-C910 PolarHBondContact N-O 3.35Å; S906-C910 VanDerWaalsContact OG-CB 3.24Å; S906-C910 WeakPolarHBondContact OG-CB 3.21Å
907	N	60	Low	53.6	Low	67 Å²	67	37 Å²	37	36%	0.358	20%	0.195	S	C	.	.	S	Bend	trans	-157.7	-155.6	174	69	19.5	0	0	0	111.8	T909 C910	N907-T909 PolarHBondContact OD1-N 2.99Å; N907-T909 PolarHBondContact OD1-OG1 2.85Å; N907-C910 PolarHBondContact ND2-SG 2.97Å; N907-C910 WeakPolarHBondContact OD1-CB 3.45Å; N907-C910 PolarHBondContact OD1-N 2.92Å; N907-C910 PolarHBondContact OD1-SG 3.48Å
908	Q	57.5	Low	53.6	Low	67 Å²	67	36.2 Å²	36.2	31%	0.313	19%	0.191	S	C	.	.	S	Bend	trans	-76.5	-19.7	178.2	-67.3	175.7	11.9	0	0	114.9	P1004 T1039 L1040	Q908-P1004 HydrophobicContact CB-CB 4.27Å; Q908-P1004 WeakPolarHBondContact O-CA 3.39Å; Q908-P1004 WeakPolarHBondContact O-CB 3.3Å; Q908-T1039 WeakPolarHBondContact O-CB 3.37Å; Q908-L1040 HydrophobicContact CG-CB 4.08Å
909	T	58.1	Low	53.4	Low	46 Å²	46	40.7 Å²	40.7	28%	0.282	21%	0.211	S	C	.	.	S	Bend	trans	-125.2	-0.4	-174.6	57.6	0	0	0	0	114	N907 D1000 G1001 L1002	N907-T909 PolarHBondContact OD1-N 2.99Å; N907-T909 PolarHBondContact OD1-OG1 2.85Å; T909-D1000 PolarHBondContact OG1-OD1 3.42Å; T909-G1001 PolarHBondContact O-N 3.05Å; T909-L1002 WeakPolarHBondContact CA-O 3.46Å; T909-L1002 WeakPolarHBondContact CB-O 3.27Å; T909-L1002 WeakPolarHBondContact CG2-O 3.33Å; T909-L1002 VanDerWaalsContact O-CB 3.25Å; T909-L1002 WeakPolarHBondContact O-CB 3.32Å; T909-L1002 PolarHBondContact O-N 3.01Å
910	C	56.1	Low	53.2	Low	1 Å²	1	42.6 Å²	42.6	1%	0.007	23%	0.229	C	C	.	.			trans	-124.9	142.3	-170.6	-55.6	0	0	0	0	114.4	S906 N907 L998 L999 D1000	S906-C910 PolarHBondContact N-O 3.35Å; S906-C910 VanDerWaalsContact OG-CB 3.24Å; S906-C910 WeakPolarHBondContact OG-CB 3.21Å; N907-C910 PolarHBondContact ND2-SG 2.97Å; N907-C910 WeakPolarHBondContact OD1-CB 3.45Å; N907-C910 PolarHBondContact OD1-N 2.92Å; N907-C910 PolarHBondContact OD1-SG 3.48Å; C910-L998 HydrophobicContact CB-CD1 4.26Å; C910-L998 HydrophobicContact CB-CD2 4.26Å; C910-L998 HydrophobicContact CB-CG 4.23Å; C910-L999 CarbonylContact C-O 3.57Å; C910-L999 WeakPolarHBondContact CA-O 3.34Å; C910-L999 VanDerWaalsContact CB-O 3.31Å; C910-L999 WeakPolarHBondContact CB-O 3.27Å; C910-D1000 PolarHBondContact SG-OD1 3.23Å
911	L	62.4	Low	52.5	Low	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127	167.7	-70.2	176.9	0	0	0	109.6	I903 T905 L999 L1002 Y1008 V1010 Q1037	I903-L911 HydrophobicContact CG2-CD2 4.42Å; T905-L911 HydrophobicContact CG2-CD2 3.75Å; L911-L999 HydrophobicContact CB-CB 4.5Å; L911-L999 HydrophobicContact CB-CD1 4.46Å; L911-L999 PolarHBondContact N-O 2.65Å; L911-L999 PolarHBondContact O-N 3.17Å; L911-L1002 HydrophobicContact CB-CD1 4.06Å; L911-L1002 HydrophobicContact CD1-CD1 3.7Å; L911-L1002 HydrophobicContact CG-CD1 3.68Å; L911-Y1008 HydrophobicContact CD1-CD2 4.44Å; L911-V1010 HydrophobicContact CD1-CG2 4.17Å; L911-Q1037 HydrophobicContact CD2-CB 3.93Å; L911-Q1037 HydrophobicContact CD2-CG 3.54Å
912	Y	63.7	Low	51.9	Low	48 Å²	48	56.1 Å²	56.1	19%	0.188	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.9	171.9	-175	-123.7	0	0	0	109.9	I903 V904 E914 I988 Y997 L998	I903-Y912 CarbonylContact C-O 3.54Å; I903-Y912 VanDerWaalsContact CA-O 3.27Å; I903-Y912 WeakPolarHBondContact CA-O 3.36Å; V904-Y912 PolarHBondContact N-O 2.65Å; V904-Y912 WeakPolarHBondContact O-CB 3.44Å; V904-Y912 PolarHBondContact O-N 3.45Å; Y912-E914 HydrophobicContact CD1-CG 4.24Å; Y912-E914 HydrophobicContact CE1-CG 3.45Å; Y912-E914 VanDerWaalsContact CE1-CG 3.45Å; Y912-E914 HydrophobicContact CE2-CG 4.42Å; Y912-E914 PolarHBondContact OH-OE1 3.2Å; Y912-E914 VanDerWaalsContact OH-OE1 3.14Å; Y912-I988 HydrophobicContact CE2-CD1 3.69Å; Y912-I988 HydrophobicContact CE2-CG1 4.45Å; Y912-Y997 WeakPolarHBondContact CD2-O 3.25Å; Y912-L998 HydrophobicContact CD2-CB 4.26Å
913	I	62.6	Low	50.9	Low	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.9	-173.4	-55.3	160.4	0	0	0	108.9	I903 I940 G996 Y997 L999 V1010 V1012	I903-I913 HydrophobicContact CD1-CG1 4.22Å; I903-I913 HydrophobicContact CD1-CG2 4.48Å; I903-I913 HydrophobicContact CG1-CG1 4.23Å; I903-I913 HydrophobicContact CG1-CG2 4.28Å; I903-I913 HydrophobicContact CG2-CG1 4.44Å; I913-I940 HydrophobicContact CD1-CD1 4.32Å; I913-I940 HydrophobicContact CD1-CG2 4Å; I913-G996 WeakPolarHBondContact O-CA 3.23Å; I913-Y997 PolarHBondContact N-O 2.97Å; I913-Y997 PolarHBondContact O-N 3.42Å; I913-L999 HydrophobicContact CD1-CD1 3.71Å; I913-L999 HydrophobicContact CD1-CG 4.07Å; I913-V1010 HydrophobicContact CD1-CG1 3.74Å; I913-V1012 HydrophobicContact CG2-CG2 4.5Å
914	E	59.4	Low	49.7	Very low	54 Å²	54	66.2 Å²	66.2	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.5	174.7	-62.5	172.7	119.5	0	0	111.9	I901 S902 Y912	I901-E914 PolarHBondContact N-O 3.47Å; S902-E914 WeakPolarHBondContact CB-OE2 3.29Å; S902-E914 PolarHBondContact N-O 3.02Å; S902-E914 PolarHBondContact O-N 2.92Å; S902-E914 WeakPolarHBondContact OG-CB 3.29Å; S902-E914 WeakPolarHBondContact OG-CG 3.11Å; S902-E914 PolarHBondContact OG-OE2 2.74Å; Y912-E914 HydrophobicContact CD1-CG 4.24Å; Y912-E914 HydrophobicContact CE1-CG 3.45Å; Y912-E914 VanDerWaalsContact CE1-CG 3.45Å; Y912-E914 HydrophobicContact CE2-CG 4.42Å; Y912-E914 PolarHBondContact OH-OE1 3.2Å; Y912-E914 VanDerWaalsContact OH-OE1 3.14Å
915	W	57.7	Low	48.4	Very low	4 Å²	4	68.3 Å²	68.3	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	150.1	179.5	55.5	-78.9	0	0	0	110.9	L898 Q899 I900 F938 K995 Y997 V1012	L898-W915 HydrophobicContact CD2-CE3 3.56Å; L898-W915 HydrophobicContact CD2-CZ3 3.63Å; Q899-W915 WeakPolarHBondContact O-CB 3.46Å; I900-W915 HydrophobicContact CG1-CB 4.46Å; W915-F938 HydrophobicContact CH2-CB 3.94Å; W915-F938 AromaticContact CH2-CD1 3.09Å; W915-F938 HydrophobicContact CH2-CD1 3.09Å; W915-F938 AromaticContact CH2-CD2 3.89Å; W915-F938 HydrophobicContact CH2-CD2 3.89Å; W915-F938 AromaticContact CH2-CE1 3.35Å; W915-F938 HydrophobicContact CH2-CE1 3.35Å; W915-F938 HydrophobicContact CH2-CE2 4.12Å; W915-F938 AromaticContact CH2-CG 3.36Å; W915-F938 HydrophobicContact CH2-CG 3.36Å; W915-F938 AromaticContact CH2-CZ 3.86Å; W915-F938 HydrophobicContact CH2-CZ 3.86Å; W915-F938 HydrophobicContact CZ2-CB 3.95Å; W915-F938 AromaticContact CZ2-CD1 3.92Å; W915-F938 HydrophobicContact CZ2-CD1 3.92Å; W915-F938 AromaticContact CZ2-CG 3.91Å; W915-F938 HydrophobicContact CZ2-CG 3.91Å; W915-F938 AromaticContact CZ3-CD1 3.62Å; W915-F938 HydrophobicContact CZ3-CD1 3.62Å; W915-F938 AromaticContact CZ3-CE1 3.49Å; W915-F938 HydrophobicContact CZ3-CE1 3.49Å; W915-F938 VanDerWaalsContact CZ3-CE1 3.49Å; W915-F938 HydrophobicContact CZ3-CG 4.31Å; W915-F938 HydrophobicContact CZ3-CZ 4.12Å; W915-K995 HydrophobicContact CD2-CB 4.41Å; W915-K995 HydrophobicContact CH2-CB 4.46Å; W915-K995 HydrophobicContact CH2-CD 3.49Å; W915-K995 VanDerWaalsContact CH2-CD 3.49Å; W915-K995 HydrophobicContact CZ2-CB 3.92Å; W915-K995 HydrophobicContact CZ2-CD 3.51Å; W915-K995 HydrophobicContact CZ2-CG 4.36Å; W915-K995 HydrophobicContact CZ3-CD 4.29Å; W915-K995 PolarHBondContact N-O 3.43Å; W915-K995 PolarHBondContact O-N 3.25Å; W915-Y997 AromaticContact CZ2-CE2 3.93Å; W915-Y997 HydrophobicContact CZ2-CE2 3.93Å; W915-Y997 AromaticContact NE1-CD2 3.66Å; W915-Y997 AromaticContact NE1-CE2 3.68Å; W915-V1012 HydrophobicContact CD2-CG1 4.42Å
916	I	49.9	Very low	47.3	Very low	15 Å²	15	72.8 Å²	72.8	8%	0.077	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.9	176.2	-76.3	172.7	0	0	0	110.6	L898 I901 I918 T993 L994	L898-I916 WeakPolarHBondContact CD2-O 3.33Å; I901-I916 HydrophobicContact CD1-CB 3.71Å; I901-I916 HydrophobicContact CD1-CD1 3.44Å; I901-I916 VanDerWaalsContact CD1-CD1 3.44Å; I901-I916 HydrophobicContact CD1-CG1 3.36Å; I916-I918 HydrophobicContact CB-CD1 4.32Å; I916-I918 HydrophobicContact CG2-CD1 3.75Å; I916-I918 HydrophobicContact CG2-CG1 3.83Å; I916-T993 VanDerWaalsContact CA-O 3.24Å; I916-T993 WeakPolarHBondContact CA-O 3.12Å; I916-L994 HydrophobicContact CD1-CB 4.37Å; I916-L994 HydrophobicContact CD1-CD1 4.04Å; I916-L994 HydrophobicContact CD1-CG 4.04Å; I916-L994 HydrophobicContact CG1-CB 3.87Å; I916-L994 HydrophobicContact CG1-CD1 4.28Å; I916-L994 HydrophobicContact CG1-CG 3.7Å
917	Y	46.2	Very low	45.9	Very low	71 Å²	71	76.8 Å²	76.8	28%	0.278	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.7	164.8	-177.9	-90.5	0	0	0	110.3	L898 Q919 F938 T993	L898-Y917 HydrophobicContact CD1-CD2 3.71Å; L898-Y917 HydrophobicContact CD1-CE2 4.04Å; L898-Y917 HydrophobicContact CD2-CD2 3.98Å; L898-Y917 HydrophobicContact CD2-CG 4.48Å; L898-Y917 HydrophobicContact CG-CD2 4.21Å; Y917-Q919 HydrophobicContact CE1-CB 3.94Å; Y917-Q919 HydrophobicContact CE1-CG 4.48Å; Y917-F938 HydrophobicContact CD2-CZ 4.45Å; Y917-T993 PolarHBondContact N-O 3.41Å
918	I	44.3	Very low	44.5	Very low	40 Å²	40	78.1 Å²	78.1	21%	0.205	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.6	173.1	-58.7	97.5	0	0	0	109.7	K663 I916 S920	K663-I918 HydrophobicContact CD-CD1 4.27Å; K663-I918 HydrophobicContact CD-CG1 3.77Å; K663-I918 HydrophobicContact CG-CD1 3.91Å; K663-I918 HydrophobicContact CG-CG1 3.77Å; I916-I918 HydrophobicContact CB-CD1 4.32Å; I916-I918 HydrophobicContact CG2-CD1 3.75Å; I916-I918 HydrophobicContact CG2-CG1 3.83Å; I918-S920 PolarHBondContact O-N 2.85Å
919	Q	40.8	Very low	43.3	Very low	109 Å²	109	80.4 Å²	80.4	51%	0.509	41%	0.409	S	S	.	.			trans	-71.7	124.9	165	-162.2	168.2	6.5	0	0	109	Y917	Y917-Q919 HydrophobicContact CE1-CB 3.94Å; Y917-Q919 HydrophobicContact CE1-CG 4.48Å
920	S	40.1	Very low	42.3	Very low	81 Å²	81	83 Å²	83	57%	0.566	42%	0.42	S	S	*	.			trans	-68.5	140.9	178.2	89.4	0	0	0	0	110.1	I918	I918-S920 PolarHBondContact O-N 2.85Å
921	R	32.8	Very low	41.4	Very low	230 Å²	230	87.7 Å²	87.7	87%	0.868	45%	0.449	S	S	*	.			trans	-90.1	2.5	-179.2	-81.2	-170	174	-172.6	-0.2	114.1	H923	R921-H923 VanDerWaalsContact C-N 3.3Å; R921-H923 PolarHBondContact O-N 2.95Å
922	N	34.1	Very low	40.2	Very low	134 Å²	134	92.1 Å²	92.1	72%	0.717	47%	0.472	S	S	*	.			trans	-78.4	81.1	-179	-75.1	5.4	0	0	0	110.1	S924	N922-S924 PolarHBondContact O-N 3.39Å
923	H	26.5	Very low	39.1	Very low	188 Å²	188	92.5 Å²	92.5	87%	0.87	48%	0.475	S	S	*	.			trans	-70.2	55.3	171.1	-81.8	-68.6	0	0	0	112.4	R921	R921-H923 VanDerWaalsContact C-N 3.3Å; R921-H923 PolarHBondContact O-N 2.95Å
924	S	27.5	Very low	38.1	Very low	67 Å²	67	98.7 Å²	98.7	47%	0.469	51%	0.508	S	S	.	.			trans	-138.1	117.3	169.2	59.8	0	0	0	0	107.9	N922	N922-S924 PolarHBondContact O-N 3.39Å
925	F	26.5	Very low	37.4	Very low	114 Å²	114	99.6 Å²	99.6	50%	0.5	52%	0.515	S	S	.	.	S	Bend	trans	89.4	138.1	179.1	-68.7	-91.7	0	0	0	116.7	K822 I824	K822-F925 HydrophobicContact CB-CE1 4.12Å; K822-F925 HydrophobicContact CB-CZ 4.36Å; K822-F925 WeakPolarHBondContact O-CE1 3.38Å; I824-F925 HydrophobicContact CB-CD2 3.84Å; I824-F925 HydrophobicContact CB-CE2 3.53Å; I824-F925 HydrophobicContact CB-CZ 4.03Å; I824-F925 HydrophobicContact CD1-CD2 4.18Å; I824-F925 HydrophobicContact CD1-CE2 3.46Å; I824-F925 VanDerWaalsContact CD1-CE2 3.46Å; I824-F925 HydrophobicContact CD1-CZ 4.3Å; I824-F925 HydrophobicContact CG1-CD2 4.11Å; I824-F925 HydrophobicContact CG1-CE2 3.32Å; I824-F925 HydrophobicContact CG1-CZ 3.77Å; I824-F925 HydrophobicContact CG2-CD2 4.49Å
926	T	31.4	Very low	36.8	Very low	129 Å²	129	102.9 Å²	102.9	79%	0.791	53%	0.532	S	S	*	.			trans	56.5	101.2	-167.2	60.8	0	0	0	0	116.4	M928	T926-M928 VanDerWaalsContact C-N 3.27Å; T926-M928 PolarHBondContact O-N 3.18Å
927	T	26.5	Very low	36.9	Very low	148 Å²	148	102.4 Å²	102.4	91%	0.908	53%	0.53	S	S	*	.			trans	-73	82.3	155.7	48.5	0	0	0	0	109.5
928	M	29.7	Very low	37.2	Very low	95 Å²	95	99.8 Å²	99.8	47%	0.468	52%	0.52	S	S	.	.			trans	-113.4	121.8	152.1	-75.6	-165.7	178.1	0	0	107.7	T926 K1018	T926-M928 VanDerWaalsContact C-N 3.27Å; T926-M928 PolarHBondContact O-N 3.18Å; M928-K1018 PolarHBondContact SD-NZ 2.98Å
929	N	32.9	Very low	37.9	Very low	115 Å²	115	98 Å²	98	62%	0.615	51%	0.511	S	S	*	.			trans	-65.6	138.1	168.9	-72.3	-19.5	0	0	0	108.2	T931 D932	N929-T931 HydrophobicContact CB-CG2 4.24Å; N929-T931 WeakPolarHBondContact CB-OG1 2.87Å; N929-T931 PolarHBondContact O-N 3.44Å; N929-D932 PolarHBondContact O-N 2.97Å
930	I	37.1	Very low	38.7	Very low	101 Å²	101	93 Å²	93	52%	0.518	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-67.1	-2.7	173.8	-62.9	97.2	0	0	0	111.5	D932	I930-D932 VanDerWaalsContact C-N 3.26Å; I930-D932 PolarHBondContact O-N 2.72Å
931	T	37.1	Very low	39.8	Very low	99 Å²	99	90 Å²	90	61%	0.607	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22	174.5	51.8	0	0	0	0	114.8	N929 F933	N929-T931 HydrophobicContact CB-CG2 4.24Å; N929-T931 WeakPolarHBondContact CB-OG1 2.87Å; N929-T931 PolarHBondContact O-N 3.44Å; T931-F933 VanDerWaalsContact C-N 3.29Å; T931-F933 PolarHBondContact O-N 3.3Å
932	D	37.7	Very low	41.2	Very low	92 Å²	92	80.3 Å²	80.3	49%	0.492	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-91.2	7.8	-168.1	-61.7	13.2	0	0	0	112.8	N929 I930	N929-D932 PolarHBondContact O-N 2.97Å; I930-D932 VanDerWaalsContact C-N 3.26Å; I930-D932 PolarHBondContact O-N 2.72Å
933	F	41	Very low	42.6	Very low	57 Å²	57	76.3 Å²	76.3	25%	0.25	40%	0.404	C	S	.	.			trans	-111.1	88.7	176.6	-61.8	-64.5	0	0	0	110.1	T931 D935 V1016 K1018	T931-F933 VanDerWaalsContact C-N 3.29Å; T931-F933 PolarHBondContact O-N 3.3Å; F933-D935 VanDerWaalsContact C-N 3.34Å; F933-D935 PolarHBondContact O-N 3.34Å; F933-V1016 HydrophobicContact CD1-CG1 3.29Å; F933-V1016 HydrophobicContact CE1-CG1 3.54Å; F933-V1016 HydrophobicContact CG-CG1 4.16Å; F933-K1018 HydrophobicContact CD1-CG 4.44Å; F933-K1018 HydrophobicContact CE1-CD 3.99Å; F933-K1018 HydrophobicContact CE1-CG 4.13Å
934	N	40.3	Very low	44.5	Very low	130 Å²	130	69.1 Å²	69.1	70%	0.695	37%	0.372	S	S	*	.	S	Bend	trans	-63.7	-37.9	-179.6	-73.1	-5.5	0	0	0	112.9
935	D	45.7	Very low	46.2	Very low	73 Å²	73	66.9 Å²	66.9	39%	0.39	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.1	-177.6	-73.6	-69	0	0	0	112.1	F933	F933-D935 VanDerWaalsContact C-N 3.34Å; F933-D935 PolarHBondContact O-N 3.34Å
936	L	46	Very low	47.6	Very low	73 Å²	73	65 Å²	65	38%	0.382	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	88	172.2	-78	156.4	0	0	0	108	F938 I1014 V1016	L936-F938 HydrophobicContact CB-CE2 3.96Å; L936-F938 HydrophobicContact CB-CZ 4.46Å; L936-F938 VanDerWaalsContact O-CD2 3.23Å; L936-F938 WeakPolarHBondContact O-CD2 3.42Å; L936-F938 WeakPolarHBondContact O-CE2 3.05Å; L936-I1014 HydrophobicContact CD2-CD1 3.63Å; L936-I1014 HydrophobicContact CD2-CG1 4.44Å; L936-V1016 HydrophobicContact CD2-CG2 3.85Å
937	T	51.4	Low	48.5	Very low	5 Å²	5	65 Å²	65	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133	179.3	38.9	0	0	0	0	110.3	I963 N965 I1014 E1015	T937-I963 HydrophobicContact CG2-CG2 4.2Å; T937-N965 WeakPolarHBondContact CG2-OD1 3.45Å; T937-I1014 WeakPolarHBondContact O-CA 3.49Å; T937-E1015 PolarHBondContact N-O 2.9Å; T937-E1015 VanDerWaalsContact N-O 3.11Å; T937-E1015 PolarHBondContact O-N 3.35Å; T937-E1015 VanDerWaalsContact OG1-CB 3.27Å; T937-E1015 WeakPolarHBondContact OG1-CB 3.47Å; T937-E1015 WeakPolarHBondContact OG1-CG 3.24Å; T937-E1015 PolarHBondContact OG1-O 3.32Å; T937-E1015 VanDerWaalsContact OG1-O 3.12Å; T937-E1015 PolarHBondContact OG1-OE2 2.94Å
938	F	52.8	Low	49.3	Very low	15 Å²	15	64.7 Å²	64.7	7%	0.066	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	99.7	-177	-70.1	-82.8	0	0	0	109.2	W915 Y917 L936 F964 K995 Y1013 I1014 L1031	W915-F938 HydrophobicContact CH2-CB 3.94Å; W915-F938 AromaticContact CH2-CD1 3.09Å; W915-F938 HydrophobicContact CH2-CD1 3.09Å; W915-F938 AromaticContact CH2-CD2 3.89Å; W915-F938 HydrophobicContact CH2-CD2 3.89Å; W915-F938 AromaticContact CH2-CE1 3.35Å; W915-F938 HydrophobicContact CH2-CE1 3.35Å; W915-F938 HydrophobicContact CH2-CE2 4.12Å; W915-F938 AromaticContact CH2-CG 3.36Å; W915-F938 HydrophobicContact CH2-CG 3.36Å; W915-F938 AromaticContact CH2-CZ 3.86Å; W915-F938 HydrophobicContact CH2-CZ 3.86Å; W915-F938 HydrophobicContact CZ2-CB 3.95Å; W915-F938 AromaticContact CZ2-CD1 3.92Å; W915-F938 HydrophobicContact CZ2-CD1 3.92Å; W915-F938 AromaticContact CZ2-CG 3.91Å; W915-F938 HydrophobicContact CZ2-CG 3.91Å; W915-F938 AromaticContact CZ3-CD1 3.62Å; W915-F938 HydrophobicContact CZ3-CD1 3.62Å; W915-F938 AromaticContact CZ3-CE1 3.49Å; W915-F938 HydrophobicContact CZ3-CE1 3.49Å; W915-F938 VanDerWaalsContact CZ3-CE1 3.49Å; W915-F938 HydrophobicContact CZ3-CG 4.31Å; W915-F938 HydrophobicContact CZ3-CZ 4.12Å; Y917-F938 HydrophobicContact CD2-CZ 4.45Å; L936-F938 HydrophobicContact CB-CE2 3.96Å; L936-F938 HydrophobicContact CB-CZ 4.46Å; L936-F938 VanDerWaalsContact O-CD2 3.23Å; L936-F938 WeakPolarHBondContact O-CD2 3.42Å; L936-F938 WeakPolarHBondContact O-CE2 3.05Å; F938-F964 WeakPolarHBondContact O-CD2 3.44Å; F938-K995 VanDerWaalsContact CE2-NZ 3.28Å; F938-Y1013 CarbonylContact C-O 3.58Å; F938-Y1013 WeakPolarHBondContact CA-O 3.31Å; F938-I1014 HydrophobicContact CD1-CB 4.42Å; F938-I1014 HydrophobicContact CD1-CD1 4.2Å; F938-I1014 HydrophobicContact CD1-CG1 3.94Å; F938-I1014 HydrophobicContact CE1-CB 4.38Å; F938-I1014 HydrophobicContact CE1-CD1 3.44Å; F938-I1014 VanDerWaalsContact CE1-CD1 3.44Å; F938-I1014 HydrophobicContact CE1-CG1 3.7Å; F938-I1014 HydrophobicContact CZ-CD1 3.65Å; F938-I1014 HydrophobicContact CZ-CG1 4.16Å; F938-L1031 HydrophobicContact CD1-CD1 3.79Å; F938-L1031 HydrophobicContact CE1-CD1 3.79Å
939	N	57.2	Low	49.9	Very low	2 Å²	2	65.8 Å²	65.8	1%	0.011	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.3	-170.3	-59.3	-6.3	0	0	0	108.3	E961 Y1013	N939-E961 HydrophobicContact CB-CG 4.2Å; N939-E961 PolarHBondContact ND2-OE1 3.2Å; N939-Y1013 PolarHBondContact N-O 2.83Å; N939-Y1013 PolarHBondContact O-N 3.27Å
940	I	59.6	Low	50.2	Low	5 Å²	5	67.9 Å²	67.9	3%	0.026	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124	172.6	-57.6	177.5	0	0	0	106.5	I913 F964 Y997 L999 V1010	I913-I940 HydrophobicContact CD1-CD1 4.32Å; I913-I940 HydrophobicContact CD1-CG2 4Å; I940-F964 HydrophobicContact CD1-CE2 4.39Å; I940-F964 HydrophobicContact CD1-CZ 4.4Å; I940-F964 HydrophobicContact CG1-CE2 4.29Å; I940-Y997 HydrophobicContact CD1-CD1 4.43Å; I940-Y997 HydrophobicContact CD1-CD2 4.26Å; I940-Y997 HydrophobicContact CD1-CG 3.97Å; I940-L999 HydrophobicContact CG2-CD1 4.48Å; I940-V1010 HydrophobicContact CG2-CG1 4Å
941	I	61.7	Low	50.3	Low	17 Å²	17	71.4 Å²	71.4	9%	0.087	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.7	179.1	-41.4	-173.8	0	0	0	108.4	W959 T960 V1010 S1011 Y1013	I941-W959 HydrophobicContact CB-CE3 4.24Å; I941-W959 HydrophobicContact CG2-CB 3.64Å; I941-W959 HydrophobicContact CG2-CD2 3.89Å; I941-W959 HydrophobicContact CG2-CE3 3.41Å; I941-W959 VanDerWaalsContact CG2-CE3 3.41Å; I941-W959 HydrophobicContact CG2-CG 4.05Å; I941-W959 HydrophobicContact CG2-CZ3 4.25Å; I941-T960 WeakPolarHBondContact CG2-O 3.02Å; I941-V1010 WeakPolarHBondContact O-CA 3.26Å; I941-S1011 PolarHBondContact N-O 2.8Å; I941-S1011 PolarHBondContact O-N 3.38Å; I941-Y1013 HydrophobicContact CB-CD2 4.32Å; I941-Y1013 HydrophobicContact CB-CE2 4.23Å; I941-Y1013 HydrophobicContact CD1-CD1 4.44Å; I941-Y1013 HydrophobicContact CD1-CD2 3.45Å; I941-Y1013 VanDerWaalsContact CD1-CD2 3.45Å; I941-Y1013 HydrophobicContact CD1-CE2 3.59Å; I941-Y1013 HydrophobicContact CD1-CG 3.91Å; I941-Y1013 HydrophobicContact CG1-CD2 3.65Å; I941-Y1013 HydrophobicContact CG1-CE2 3.96Å; I941-Y1013 HydrophobicContact CG1-CG 4.43Å
942	Y	63.6	Low	50.4	Low	28 Å²	28	72.9 Å²	72.9	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.4	177.8	66.6	-83.4	0	0	0	111.7	T960 L983 L1002 Y1008 A1009	Y942-T960 PolarHBondContact O-OG1 3.45Å; Y942-L983 WeakPolarHBondContact OH-CD2 3.39Å; Y942-L1002 HydrophobicContact CD2-CD2 4.35Å; Y942-L1002 HydrophobicContact CE2-CD2 4.06Å; Y942-Y1008 AromaticContact CD2-CD1 3.95Å; Y942-Y1008 HydrophobicContact CD2-CD1 3.95Å; Y942-Y1008 HydrophobicContact CD2-CE1 4.21Å; Y942-Y1008 HydrophobicContact CE2-CE1 4.44Å; Y942-A1009 CarbonylContact C-O 3.56Å; Y942-A1009 VanDerWaalsContact CA-O 3.22Å; Y942-A1009 WeakPolarHBondContact CA-O 3.47Å
943	R	61.9	Low	50	Low	50 Å²	50	76.9 Å²	76.9	19%	0.189	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.7	173.1	59.5	178.5	173.1	123.2	-6	111.4	T108 L945 W959 Y1008 A1009 E1034	T108-R943 PolarHBondContact O-NH2 3.04Å; T108-R943 VanDerWaalsContact O-NH2 3.12Å; T108-R943 PolarHBondContact OG1-NH1 3.22Å; T108-R943 VanDerWaalsContact OG1-NH1 3.16Å; R943-L945 HydrophobicContact CG-CD2 4.24Å; R943-W959 HydrophobicContact CB-CE3 4.1Å; R943-W959 HydrophobicContact CB-CZ3 4.13Å; R943-W959 HydrophobicContact CG-CE3 4.15Å; R943-W959 HydrophobicContact CG-CH2 4.1Å; R943-W959 HydrophobicContact CG-CZ3 3.69Å; R943-Y1008 WeakPolarHBondContact O-CA 3.24Å; R943-A1009 HydrophobicContact CG-CB 3.78Å; R943-A1009 PolarHBondContact N-O 2.85Å; R943-A1009 PolarHBondContact O-N 2.81Å; R943-E1034 IonicContact CZ-OE2 2.71Å; R943-E1034 IonicContact NE-OE2 2.71Å; R943-E1034 IonicContact NH2-OE2 2.64Å; R943-E1034 PolarHBondContact NH2-OE2 3.13Å
944	N	66.5	Low	49.7	Very low	37 Å²	37	77 Å²	77	20%	0.198	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.8	169.4	-172.5	1.2	0	0	0	109.6	S946 E947 V1006 Y1008	N944-S946 PolarHBondContact ND2-OG 3.19Å; N944-S946 PolarHBondContact OD1-N 3.14Å; N944-S946 PolarHBondContact OD1-OG 3.02Å; N944-S946 VanDerWaalsContact OD1-OG 3.05Å; N944-E947 PolarHBondContact ND2-OE1 2.9Å; N944-V1006 WeakPolarHBondContact OD1-CG1 3.26Å; N944-Y1008 HydrophobicContact CB-CD1 4.49Å; N944-Y1008 HydrophobicContact CB-CE1 4.2Å
945	L	63.3	Low	49.4	Very low	20 Å²	20	78.6 Å²	78.6	11%	0.105	39%	0.394	C	S	.	.	S	Bend	trans	-104.8	-0.6	175.8	-60.4	-176.1	0	0	0	114.1	S106 R943 T1007 A1009 V1036	S106-L945 PolarHBondContact OG-O 2.89Å; R943-L945 HydrophobicContact CG-CD2 4.24Å; L945-T1007 WeakPolarHBondContact CB-O 3.36Å; L945-T1007 HydrophobicContact CD1-CG2 4.11Å; L945-T1007 PolarHBondContact N-O 3.36Å; L945-A1009 HydrophobicContact CD1-CB 4.21Å; L945-A1009 HydrophobicContact CD2-CB 4.31Å; L945-A1009 HydrophobicContact CG-CB 4.36Å; L945-V1036 HydrophobicContact CD1-CG1 3.8Å; L945-V1036 HydrophobicContact CD1-CG2 4.22Å
946	S	56.3	Low	48.8	Very low	73 Å²	73	82.1 Å²	82.1	51%	0.51	41%	0.413	S	S	.	.			trans	-99.4	-1.2	-173.7	76.2	0	0	0	0	115.9	N944	N944-S946 PolarHBondContact ND2-OG 3.19Å; N944-S946 PolarHBondContact OD1-N 3.14Å; N944-S946 PolarHBondContact OD1-OG 3.02Å; N944-S946 VanDerWaalsContact OD1-OG 3.05Å
947	E	49.9	Very low	48.1	Very low	129 Å²	129	85 Å²	85	60%	0.603	42%	0.424	S	S	*	.	S	Bend	trans	-83.8	153.2	-177.1	-83.9	157.7	-151.3	0	0	113.6	N944	N944-E947 PolarHBondContact ND2-OE1 2.9Å
948	N	43	Very low	47.2	Very low	143 Å²	143	89.7 Å²	89.7	77%	0.765	45%	0.448	S	S	*	.			trans	-71.8	147.2	-165.9	-117.8	-30.8	0	0	0	112.8	N950	N948-N950 PolarHBondContact O-N 3.36Å
949	L	42.4	Very low	46.5	Very low	117 Å²	117	93.4 Å²	93.4	61%	0.613	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.1	-171	-81.7	161.2	0	0	0	115.1	E951	L949-E951 PolarHBondContact O-N 2.89Å
950	N	39.5	Very low	45.7	Very low	160 Å²	160	96.6 Å²	96.6	86%	0.856	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-81.5	-10.7	-165.5	-65.4	11.4	0	0	0	115.1	N948	N948-N950 PolarHBondContact O-N 3.36Å
951	E	40.3	Very low	44.6	Very low	174 Å²	174	100.8 Å²	100.8	81%	0.813	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-97.6	4.2	-177.3	-61.7	-165	147.8	0	0	114.1	L949 K953	L949-E951 PolarHBondContact O-N 2.89Å; E951-K953 PolarHBondContact O-N 2.81Å
952	R	37.9	Very low	43.6	Very low	130 Å²	130	104.5 Å²	104.5	49%	0.491	52%	0.517	S	S	.	.			trans	-73	86.2	-175.2	-71.3	-172.5	175	-170.4	-0.9	114.1
953	K	29.4	Very low	42.4	Very low	177 Å²	177	106.6 Å²	106.6	77%	0.77	53%	0.529	S	S	*	.			trans	-79	123	151.9	-74	-179.3	178.8	174.6	0	109.8	E951	E951-K953 PolarHBondContact O-N 2.81Å
954	S	35.6	Very low	41.3	Very low	60 Å²	60	106.7 Å²	106.7	42%	0.42	53%	0.531	S	S	.	.			trans	52.3	161.6	178.1	99.9	0	0	0	0	117.9	L956 E957	S954-L956 PolarHBondContact OG-N 3.41Å; S954-E957 WeakPolarHBondContact CB-OE2 3.05Å; S954-E957 VanDerWaalsContact OG-CD 3.29Å; S954-E957 WeakPolarHBondContact OG-CG 3.38Å; S954-E957 PolarHBondContact OG-OE2 2.67Å
955	L	33.2	Very low	40	Very low	162 Å²	162	108.6 Å²	108.6	85%	0.848	54%	0.542	S	S	*	.	S	Bend	trans	-94.9	9	175.4	-89	164.8	0	0	0	113
956	L	32.3	Very low	38.5	Very low	148 Å²	148	113.8 Å²	113.8	78%	0.775	57%	0.569	S	S	*	*	S	Bend	trans	-113	-16.4	-175.9	-74.5	96.9	0	0	0	114.7	S954	S954-L956 PolarHBondContact OG-N 3.41Å
957	E	32.1	Very low	37.1	Very low	133 Å²	133	118.7 Å²	118.7	62%	0.621	58%	0.584	S	S	*	*	S	Bend	trans	-97	2.7	-162.5	-71.9	166.3	123.2	0	0	115.9	S954	S954-E957 WeakPolarHBondContact CB-OE2 3.05Å; S954-E957 VanDerWaalsContact OG-CD 3.29Å; S954-E957 WeakPolarHBondContact OG-CG 3.38Å; S954-E957 PolarHBondContact OG-OE2 2.67Å
958	L	32.5	Very low	36	Very low	104 Å²	104	121.8 Å²	121.8	55%	0.545	60%	0.595	S	S	.	*			trans	-112.6	43.3	-168.2	-69.9	171.4	0	0	0	115
959	W	37.5	Very low	35.1	Very low	92 Å²	92	123.6 Å²	123.6	35%	0.348	60%	0.599	S	S	.	*			trans	-127.2	114	176.9	-74.4	117.3	0	0	0	110.4	I941 R943 E1034	I941-W959 HydrophobicContact CB-CE3 4.24Å; I941-W959 HydrophobicContact CG2-CB 3.64Å; I941-W959 HydrophobicContact CG2-CD2 3.89Å; I941-W959 HydrophobicContact CG2-CE3 3.41Å; I941-W959 VanDerWaalsContact CG2-CE3 3.41Å; I941-W959 HydrophobicContact CG2-CG 4.05Å; I941-W959 HydrophobicContact CG2-CZ3 4.25Å; R943-W959 HydrophobicContact CB-CE3 4.1Å; R943-W959 HydrophobicContact CB-CZ3 4.13Å; R943-W959 HydrophobicContact CG-CE3 4.15Å; R943-W959 HydrophobicContact CG-CH2 4.1Å; R943-W959 HydrophobicContact CG-CZ3 3.69Å; W959-E1034 HydrophobicContact CH2-CG 4.39Å
960	T	40.9	Very low	34.4	Very low	70 Å²	70	126.7 Å²	126.7	43%	0.429	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.4	118	174.7	41.6	0	0	0	0	110.5	I941 Y942	I941-T960 WeakPolarHBondContact CG2-O 3.02Å; Y942-T960 PolarHBondContact O-OG1 3.45Å
961	E	36.6	Very low	33.7	Very low	93 Å²	93	124.3 Å²	124.3	44%	0.435	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	134.5	179.6	-177.9	167	-132	0	0	111.4	N939 I963	N939-E961 HydrophobicContact CB-CG 4.2Å; N939-E961 PolarHBondContact ND2-OE1 3.2Å; E961-I963 HydrophobicContact CG-CG1 4.2Å
962	F	40	Very low	33	Very low	94 Å²	94	124.1 Å²	124.1	41%	0.412	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.5	118.7	170.2	-122.5	-93.5	0	0	0	109.6	F964 I985	F962-F964 HydrophobicContact CB-CE2 4.44Å; F962-F964 WeakPolarHBondContact O-CD2 3.29Å; F962-I985 HydrophobicContact CD1-CD1 4.14Å; F962-I985 HydrophobicContact CG-CD1 4.33Å
963	I	39.5	Very low	32.6	Very low	73 Å²	73	123.4 Å²	123.4	37%	0.374	61%	0.611	S	S	.	*			trans	-93.3	134.1	-175.7	-56.2	174.9	0	0	0	109.9	T937 E961	T937-I963 HydrophobicContact CG2-CG2 4.2Å; E961-I963 HydrophobicContact CG-CG1 4.2Å
964	F	38.8	Very low	32.6	Very low	52 Å²	52	121.4 Å²	121.4	23%	0.228	61%	0.608	C	S	.	*			trans	-116.6	94	179.7	-64.8	-98.8	0	0	0	112.2	F938 I940 F962 I985 Y997	F938-F964 WeakPolarHBondContact O-CD2 3.44Å; I940-F964 HydrophobicContact CD1-CE2 4.39Å; I940-F964 HydrophobicContact CD1-CZ 4.4Å; I940-F964 HydrophobicContact CG1-CE2 4.29Å; F962-F964 HydrophobicContact CB-CE2 4.44Å; F962-F964 WeakPolarHBondContact O-CD2 3.29Å; F964-I985 HydrophobicContact CE1-CB 4.33Å; F964-I985 HydrophobicContact CE1-CD1 4.25Å; F964-I985 HydrophobicContact CE1-CG2 3.92Å; F964-I985 HydrophobicContact CE2-CD1 4.49Å; F964-I985 HydrophobicContact CZ-CB 4.43Å; F964-I985 HydrophobicContact CZ-CD1 3.61Å; F964-I985 HydrophobicContact CZ-CG2 3.93Å; F964-Y997 AromaticContact CD1-CE1 3.99Å; F964-Y997 HydrophobicContact CD1-CE1 3.99Å; F964-Y997 AromaticContact CE1-CD1 3.97Å; F964-Y997 HydrophobicContact CE1-CD1 3.97Å; F964-Y997 AromaticContact CE1-CE1 3.7Å; F964-Y997 HydrophobicContact CE1-CE1 3.7Å; F964-Y997 HydrophobicContact CZ-CD1 4.12Å; F964-Y997 HydrophobicContact CZ-CE1 4.1Å
965	N	39.7	Very low	32.2	Very low	77 Å²	77	122.9 Å²	122.9	41%	0.412	62%	0.618	S	S	.	*			trans	-92.3	130.4	163.9	-73.6	33.2	0	0	0	109.9	T937 E967	T937-N965 WeakPolarHBondContact CG2-OD1 3.45Å; N965-E967 PolarHBondContact O-N 3.3Å
966	N	31.8	Very low	32	Very low	128 Å²	128	123.1 Å²	123.1	68%	0.684	62%	0.615	S	S	*	*	S	Bend	trans	-71	123.5	157	-63.3	-58.5	0	0	0	106.6	R987	N966-R987 PolarHBondContact OD1-NH1 3Å; N966-R987 VanDerWaalsContact OD1-NH1 3.13Å
967	E	26.5	Very low	31.6	Very low	177 Å²	177	123.8 Å²	123.8	83%	0.827	62%	0.616	S	S	*	*	S	Bend	trans	69.9	92	176.8	-51.9	-163	-159.4	0	0	117.5	N965	N965-E967 PolarHBondContact O-N 3.3Å
968	K	26.2	Very low	31.3	Very low	193 Å²	193	124 Å²	124	84%	0.839	62%	0.622	S	S	*	*			trans	48.8	81.6	143.7	-59.9	176.3	-179.9	168.3	0	119
969	Q	25.1	Very low	31.2	Very low	181 Å²	181	128 Å²	128	85%	0.846	64%	0.637	S	S	*	*				-165.4	154.4	120.7	-112.1	170.2	-10.9	0	0	112.4
970	F	26.7	Very low	30.8	Very low	183 Å²	183	130.7 Å²	130.7	80%	0.803	66%	0.658	S	S	*	*			trans	-135.6	126.8	179.1	-114	-77.2	0	0	0	109.6
971	S	24.9	Very low	30.2	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	67%	0.667	S	S	*	*			trans	-162.7	107.3	152.4	54.4	0	0	0	0	107.2
972	M	26.5	Very low	30	Very low	170 Å²	170	131.8 Å²	131.8	84%	0.837	68%	0.678	S	S	*	*				76.6	139.8	82.7	-148.8	156.5	-173.3	0	0	110.4
973	D	28	Very low	29.6	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	67%	0.668	S	S	*	*			cis	-137.3	147.2	30.6	-162.5	8.5	0	0	0	114.9	S975	D973-S975 VanDerWaalsContact CG-CB 3.5Å; D973-S975 VanDerWaalsContact OD1-CA 3.32Å; D973-S975 WeakPolarHBondContact OD1-CA 3.29Å; D973-S975 WeakPolarHBondContact OD1-CB 3.44Å; D973-S975 VanDerWaalsContact OD2-CB 3.24Å; D973-S975 WeakPolarHBondContact OD2-CB 3.47Å
974	L	30.5	Very low	29.6	Very low	135 Å²	135	133.3 Å²	133.3	71%	0.707	68%	0.68	S	S	*	*			trans	-127.9	41.3	-170.8	-143.1	173.3	0	0	0	109.6	Q976 M977	L974-Q976 VanDerWaalsContact C-N 3.3Å; L974-Q976 PolarHBondContact O-N 3.23Å; L974-M977 HydrophobicContact CD2-CB 3.98Å; L974-M977 PolarHBondContact O-N 3.39Å
975	S	26.2	Very low	29.7	Very low	91 Å²	91	133 Å²	133	64%	0.636	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn		-65.2	-14.9	-124.9	66.3	0	0	0	0	118.7	D973	D973-S975 VanDerWaalsContact CG-CB 3.5Å; D973-S975 VanDerWaalsContact OD1-CA 3.32Å; D973-S975 WeakPolarHBondContact OD1-CA 3.29Å; D973-S975 WeakPolarHBondContact OD1-CB 3.44Å; D973-S975 VanDerWaalsContact OD2-CB 3.24Å; D973-S975 WeakPolarHBondContact OD2-CB 3.47Å
976	Q	29.1	Very low	29.6	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	20.7	-176.3	-63.7	-167.1	-5.2	0	0	115.8	L974	L974-Q976 VanDerWaalsContact C-N 3.3Å; L974-Q976 PolarHBondContact O-N 3.23Å
977	M	25.7	Very low	30	Very low	162 Å²	162	139 Å²	139	80%	0.798	69%	0.688	S	S	*	*			trans	-85.3	116.6	169.9	-99.4	-63.8	175.4	0	0	111.7	L974	L974-M977 HydrophobicContact CD2-CB 3.98Å; L974-M977 PolarHBondContact O-N 3.39Å
978	N	25.8	Very low	30.8	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	67%	0.67	S	S	*	*			trans	-98.8	135.5	-171.9	-76.7	-72.3	0	0	0	113
979	Q	29.5	Very low	31.3	Very low	186 Å²	186	131.9 Å²	131.9	87%	0.869	66%	0.664	S	S	*	*			trans	55.6	77.8	155.5	-62.5	-173.6	-15.2	0	0	118.2
980	L	28.7	Very low	31.9	Very low	149 Å²	149	125.7 Å²	125.7	78%	0.78	65%	0.648	S	S	*	*			trans	-119.2	132.3	135.7	-78.7	172	0	0	0	108.2
981	G	28.5	Very low	32.4	Very low	59 Å²	59	123.1 Å²	123.1	61%	0.608	64%	0.643	S	S	*	*			trans	-100.2	149.5	-174.7	0	0	0	0	0	113.1	L983	G981-L983 PolarHBondContact O-N 2.87Å; G981-L983 VanDerWaalsContact O-N 3.14Å
982	D	32.7	Very low	33.1	Very low	128 Å²	128	127.3 Å²	127.3	68%	0.684	65%	0.65	S	S	*	*			trans	49	43.2	155.6	-56.8	-7.4	0	0	0	117.3	Y984	D982-Y984 HydrophobicContact CB-CE2 3.95Å; D982-Y984 WeakPolarHBondContact O-CD2 3.24Å
983	L	31.7	Very low	33.8	Very low	38 Å²	38	123 Å²	123	20%	0.199	63%	0.633	C	S	.	*			trans	-70.4	130.1	155	-86.4	98.3	0	0	0	109.8	Y942 G981 D1000 L1002	Y942-L983 WeakPolarHBondContact OH-CD2 3.39Å; G981-L983 PolarHBondContact O-N 2.87Å; G981-L983 VanDerWaalsContact O-N 3.14Å; L983-D1000 WeakPolarHBondContact CA-O 3.3Å; L983-D1000 WeakPolarHBondContact CB-O 3.37Å; L983-D1000 WeakPolarHBondContact CD2-O 3.42Å; L983-D1000 VanDerWaalsContact CG-O 3.25Å; L983-D1000 WeakPolarHBondContact CG-O 3.24Å; L983-L1002 HydrophobicContact CD2-CD2 4.02Å
984	Y	39.7	Very low	34.3	Very low	160 Å²	160	120 Å²	120	63%	0.627	62%	0.618	S	S	*	*			trans	-116.7	141.4	174.8	-69.4	-77.4	0	0	0	110.5	D982 D1000	D982-Y984 HydrophobicContact CB-CE2 3.95Å; D982-Y984 WeakPolarHBondContact O-CD2 3.24Å; Y984-D1000 PolarHBondContact N-O 2.86Å; Y984-D1000 WeakPolarHBondContact O-CB 3.21Å; Y984-D1000 PolarHBondContact O-N 2.81Å
985	I	39.7	Very low	35.3	Very low	45 Å²	45	116.5 Å²	116.5	23%	0.231	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.9	116.4	176.7	-52.5	-177.8	0	0	0	109.6	F962 F964 Y997 L998 L999	F962-I985 HydrophobicContact CD1-CD1 4.14Å; F962-I985 HydrophobicContact CG-CD1 4.33Å; F964-I985 HydrophobicContact CE1-CB 4.33Å; F964-I985 HydrophobicContact CE1-CD1 4.25Å; F964-I985 HydrophobicContact CE1-CG2 3.92Å; F964-I985 HydrophobicContact CE2-CD1 4.49Å; F964-I985 HydrophobicContact CZ-CB 4.43Å; F964-I985 HydrophobicContact CZ-CD1 3.61Å; F964-I985 HydrophobicContact CZ-CG2 3.93Å; I985-Y997 HydrophobicContact CG2-CD1 3.98Å; I985-L998 WeakPolarHBondContact CA-O 3.45Å; I985-L998 WeakPolarHBondContact CG2-O 3.33Å; I985-L999 HydrophobicContact CD1-CD2 3.68Å; I985-L999 HydrophobicContact CG1-CD2 4.01Å
986	R	37.7	Very low	36.7	Very low	199 Å²	199	112.3 Å²	112.3	75%	0.751	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.2	114.6	177.8	-158.8	175.1	-170.3	-178.1	3.2	109.9	L998	R986-L998 PolarHBondContact N-O 3.21Å; R986-L998 PolarHBondContact O-N 2.84Å
987	R	41.2	Very low	38.2	Very low	134 Å²	134	105.1 Å²	105.1	51%	0.506	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.4	169.3	175.9	176.9	170.2	174.2	-0.9	109.3	N966 N989	N966-R987 PolarHBondContact OD1-NH1 3Å; N966-R987 VanDerWaalsContact OD1-NH1 3.13Å; R987-N989 PolarHBondContact NE-OD1 2.03Å
988	I	42.8	Very low	39.4	Very low	87 Å²	87	99.2 Å²	99.2	45%	0.446	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.1	166.6	-53.1	-171.2	0	0	0	107.4	Y912 G990 G996	Y912-I988 HydrophobicContact CE2-CD1 3.69Å; Y912-I988 HydrophobicContact CE2-CG1 4.45Å; I988-G990 PolarHBondContact O-N 2.87Å; I988-G996 PolarHBondContact N-O 2.91Å; I988-G996 VanDerWaalsContact N-O 3.11Å
989	N	36.5	Very low	41.2	Very low	132 Å²	132	92.8 Å²	92.8	71%	0.706	47%	0.471	S	S	*	.			trans	-85.1	106.6	178.7	-76.5	-16.2	0	0	0	110	R987	R987-N989 PolarHBondContact NE-OD1 2.03Å
990	G	38.2	Very low	42.4	Very low	51 Å²	51	86.8 Å²	86.8	53%	0.526	45%	0.445	S	S	.	.			trans	-105.3	-173.5	161.1	0	0	0	0	0	111.4	I988	I988-G990 PolarHBondContact O-N 2.87Å
991	D	37.3	Very low	43.9	Very low	130 Å²	130	81.6 Å²	81.6	70%	0.695	43%	0.427	S	S	*	.			trans	-57.8	158.2	175.5	-81.4	-45	0	0	0	113	T993 L994	D991-T993 PolarHBondContact O-N 2.94Å; D991-L994 PolarHBondContact O-N 2.97Å
992	H	38.5	Very low	45.7	Very low	196 Å²	196	79.1 Å²	79.1	91%	0.907	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.7	-174	-68.9	-83.2	0	0	0	115.7
993	T	41.3	Very low	47.1	Very low	79 Å²	79	78 Å²	78	49%	0.485	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-20.8	178.9	49.5	0	0	0	0	114.5	I916 Y917 D991	I916-T993 VanDerWaalsContact CA-O 3.24Å; I916-T993 WeakPolarHBondContact CA-O 3.12Å; Y917-T993 PolarHBondContact N-O 3.41Å; D991-T993 PolarHBondContact O-N 2.94Å
994	L	39	Very low	48.7	Very low	54 Å²	54	78.6 Å²	78.6	28%	0.283	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.5	-165.1	-162	168.6	0	0	0	110.2	I916 D991	I916-L994 HydrophobicContact CD1-CB 4.37Å; I916-L994 HydrophobicContact CD1-CD1 4.04Å; I916-L994 HydrophobicContact CD1-CG 4.04Å; I916-L994 HydrophobicContact CG1-CB 3.87Å; I916-L994 HydrophobicContact CG1-CD1 4.28Å; I916-L994 HydrophobicContact CG1-CG 3.7Å; D991-L994 PolarHBondContact O-N 2.97Å
995	K	51.9	Low	50	Low	60 Å²	60	74.6 Å²	74.6	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.2	-176.6	-70.7	177.3	176.5	178.6	0	111.5	W915 F938 Y997	W915-K995 HydrophobicContact CD2-CB 4.41Å; W915-K995 HydrophobicContact CH2-CB 4.46Å; W915-K995 HydrophobicContact CH2-CD 3.49Å; W915-K995 VanDerWaalsContact CH2-CD 3.49Å; W915-K995 HydrophobicContact CZ2-CB 3.92Å; W915-K995 HydrophobicContact CZ2-CD 3.51Å; W915-K995 HydrophobicContact CZ2-CG 4.36Å; W915-K995 HydrophobicContact CZ3-CD 4.29Å; W915-K995 PolarHBondContact N-O 3.43Å; W915-K995 PolarHBondContact O-N 3.25Å; F938-K995 VanDerWaalsContact CE2-NZ 3.28Å; K995-Y997 HydrophobicContact CB-CD2 4.44Å; K995-Y997 HydrophobicContact CB-CE2 3.84Å; K995-Y997 HydrophobicContact CD-CE2 4.39Å
996	G	54.5	Low	51	Low	4 Å²	4	73 Å²	73	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.2	173.6	0	0	0	0	0	112.1	I913 I988	I913-G996 WeakPolarHBondContact O-CA 3.23Å; I988-G996 PolarHBondContact N-O 2.91Å; I988-G996 VanDerWaalsContact N-O 3.11Å
997	Y	61.8	Low	52.3	Low	16 Å²	16	64.3 Å²	64.3	6%	0.063	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.8	176.7	-67.5	-96.8	0	0	0	110.5	Y912 I913 W915 I940 F964 I985 K995	Y912-Y997 WeakPolarHBondContact CD2-O 3.25Å; I913-Y997 PolarHBondContact N-O 2.97Å; I913-Y997 PolarHBondContact O-N 3.42Å; W915-Y997 AromaticContact CZ2-CE2 3.93Å; W915-Y997 HydrophobicContact CZ2-CE2 3.93Å; W915-Y997 AromaticContact NE1-CD2 3.66Å; W915-Y997 AromaticContact NE1-CE2 3.68Å; I940-Y997 HydrophobicContact CD1-CD1 4.43Å; I940-Y997 HydrophobicContact CD1-CD2 4.26Å; I940-Y997 HydrophobicContact CD1-CG 3.97Å; F964-Y997 AromaticContact CD1-CE1 3.99Å; F964-Y997 HydrophobicContact CD1-CE1 3.99Å; F964-Y997 AromaticContact CE1-CD1 3.97Å; F964-Y997 HydrophobicContact CE1-CD1 3.97Å; F964-Y997 AromaticContact CE1-CE1 3.7Å; F964-Y997 HydrophobicContact CE1-CE1 3.7Å; F964-Y997 HydrophobicContact CZ-CD1 4.12Å; F964-Y997 HydrophobicContact CZ-CE1 4.1Å; I985-Y997 HydrophobicContact CG2-CD1 3.98Å; K995-Y997 HydrophobicContact CB-CD2 4.44Å; K995-Y997 HydrophobicContact CB-CE2 3.84Å; K995-Y997 HydrophobicContact CD-CE2 4.39Å
998	L	51.2	Low	53.5	Low	39 Å²	39	58.8 Å²	58.8	20%	0.204	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.2	170.4	-179.5	139.1	0	0	0	109.4	C910 Y912 I985 R986 D1000	C910-L998 HydrophobicContact CB-CD1 4.26Å; C910-L998 HydrophobicContact CB-CD2 4.26Å; C910-L998 HydrophobicContact CB-CG 4.23Å; Y912-L998 HydrophobicContact CD2-CB 4.26Å; I985-L998 WeakPolarHBondContact CA-O 3.45Å; I985-L998 WeakPolarHBondContact CG2-O 3.33Å; R986-L998 PolarHBondContact N-O 3.21Å; R986-L998 PolarHBondContact O-N 2.84Å; L998-D1000 HydrophobicContact CD2-CB 3.96Å
999	L	63.5	Low	54.3	Low	3 Å²	3	54.6 Å²	54.6	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.5	164.8	-63.9	172	0	0	0	108.2	C910 L911 I913 I940 I985 L1002	C910-L999 CarbonylContact C-O 3.57Å; C910-L999 WeakPolarHBondContact CA-O 3.34Å; C910-L999 VanDerWaalsContact CB-O 3.31Å; C910-L999 WeakPolarHBondContact CB-O 3.27Å; L911-L999 HydrophobicContact CB-CB 4.5Å; L911-L999 HydrophobicContact CB-CD1 4.46Å; L911-L999 PolarHBondContact N-O 2.65Å; L911-L999 PolarHBondContact O-N 3.17Å; I913-L999 HydrophobicContact CD1-CD1 3.71Å; I913-L999 HydrophobicContact CD1-CG 4.07Å; I940-L999 HydrophobicContact CG2-CD1 4.48Å; I985-L999 HydrophobicContact CD1-CD2 3.68Å; I985-L999 HydrophobicContact CG1-CD2 4.01Å; L999-L1002 HydrophobicContact CB-CD1 4.21Å
1000	D	54.1	Low	55.6	Low	60 Å²	60	48.3 Å²	48.3	32%	0.321	27%	0.272	S	S	.	.			trans	-123.1	158.4	171.2	-158.8	-16.9	0	0	0	110.1	T909 C910 L983 Y984 L998	T909-D1000 PolarHBondContact OG1-OD1 3.42Å; C910-D1000 PolarHBondContact SG-OD1 3.23Å; L983-D1000 WeakPolarHBondContact CA-O 3.3Å; L983-D1000 WeakPolarHBondContact CB-O 3.37Å; L983-D1000 WeakPolarHBondContact CD2-O 3.42Å; L983-D1000 VanDerWaalsContact CG-O 3.25Å; L983-D1000 WeakPolarHBondContact CG-O 3.24Å; Y984-D1000 PolarHBondContact N-O 2.86Å; Y984-D1000 WeakPolarHBondContact O-CB 3.21Å; Y984-D1000 PolarHBondContact O-N 2.81Å; L998-D1000 HydrophobicContact CD2-CB 3.96Å
1001	G	60.2	Low	56.4	Low	39 Å²	39	45.9 Å²	45.9	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	91.6	12.2	-177.4	0	0	0	0	0	115.1	T909	T909-G1001 PolarHBondContact O-N 3.05Å
1002	L	67.2	Low	57.4	Low	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-77.8	154.1	176	-56.4	170.8	0	0	0	111.5	T909 L911 Y942 L983 L999 Y1008 T1039	T909-L1002 WeakPolarHBondContact CA-O 3.46Å; T909-L1002 WeakPolarHBondContact CB-O 3.27Å; T909-L1002 WeakPolarHBondContact CG2-O 3.33Å; T909-L1002 VanDerWaalsContact O-CB 3.25Å; T909-L1002 WeakPolarHBondContact O-CB 3.32Å; T909-L1002 PolarHBondContact O-N 3.01Å; L911-L1002 HydrophobicContact CB-CD1 4.06Å; L911-L1002 HydrophobicContact CD1-CD1 3.7Å; L911-L1002 HydrophobicContact CG-CD1 3.68Å; Y942-L1002 HydrophobicContact CD2-CD2 4.35Å; Y942-L1002 HydrophobicContact CE2-CD2 4.06Å; L983-L1002 HydrophobicContact CD2-CD2 4.02Å; L999-L1002 HydrophobicContact CB-CD1 4.21Å; L1002-Y1008 HydrophobicContact CB-CE2 3.78Å; L1002-Y1008 HydrophobicContact CD1-CD2 4.32Å; L1002-Y1008 HydrophobicContact CD1-CE2 4.33Å; L1002-Y1008 HydrophobicContact CD2-CD1 4.46Å; L1002-Y1008 HydrophobicContact CD2-CE1 4.02Å; L1002-Y1008 HydrophobicContact CD2-CE2 4.18Å; L1002-Y1008 HydrophobicContact CG-CE2 4.33Å; L1002-T1039 HydrophobicContact CB-CG2 4.16Å; L1002-T1039 HydrophobicContact CD1-CG2 4.4Å
1003	Q	62.1	Low	58.5	Low	104 Å²	104	32 Å²	32	49%	0.486	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-71.7	141.4	176.9	-69	-175.5	5.1	0	0	111.1	V1006 Y1008 T1039	Q1003-V1006 HydrophobicContact CB-CB 4.17Å; Q1003-V1006 HydrophobicContact CB-CG2 3.65Å; Q1003-Y1008 PolarHBondContact N-OH 3.36Å; Q1003-Y1008 VanDerWaalsContact N-OH 3.08Å; Q1003-T1039 PolarHBondContact O-OG1 3.27Å
1004	P	64	Low	59.2	Low	51 Å²	51	28.3 Å²	28.3	33%	0.331	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	150.4	176.9	31.1	-35.7	0	0	0	112.5	Q908 V1006 T1039	Q908-P1004 HydrophobicContact CB-CB 4.27Å; Q908-P1004 WeakPolarHBondContact O-CA 3.39Å; Q908-P1004 WeakPolarHBondContact O-CB 3.3Å; P1004-V1006 PolarHBondContact O-N 3.44Å; P1004-T1039 WeakPolarHBondContact CA-OG1 3.48Å
1005	N	68.2	Low	60	Low	76 Å²	76	26.1 Å²	26.1	41%	0.406	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	14.9	-175.4	-157	46	0	0	0	115.3	K1038 T1039 L1040 P1041	N1005-K1038 WeakPolarHBondContact O-CE 3.39Å; N1005-K1038 WeakPolarHBondContact OD1-CE 3.27Å; N1005-K1038 PolarHBondContact OD1-NZ 2.87Å; N1005-T1039 WeakPolarHBondContact CA-O 3.42Å; N1005-T1039 PolarHBondContact N-O 3.17Å; N1005-T1039 PolarHBondContact N-OG1 2.97Å; N1005-T1039 VanDerWaalsContact N-OG1 3.08Å; N1005-L1040 PolarHBondContact N-O 2.81Å; N1005-P1041 HydrophobicContact CB-CB 4.43Å
1006	V	60.6	Low	60.1	Low	12 Å²	12	23.5 Å²	23.5	7%	0.073	13%	0.132	C	C	.	.			trans	-104.2	142.3	-175.7	173.9	0	0	0	0	110.9	N944 Q1003 P1004 Y1008 K1038 T1039	N944-V1006 WeakPolarHBondContact OD1-CG1 3.26Å; Q1003-V1006 HydrophobicContact CB-CB 4.17Å; Q1003-V1006 HydrophobicContact CB-CG2 3.65Å; P1004-V1006 PolarHBondContact O-N 3.44Å; V1006-Y1008 HydrophobicContact CB-CE2 3.8Å; V1006-Y1008 HydrophobicContact CG1-CD2 4.15Å; V1006-Y1008 HydrophobicContact CG1-CE1 4.24Å; V1006-Y1008 HydrophobicContact CG1-CE2 3.57Å; V1006-K1038 CarbonylContact O-C 3.53Å; V1006-K1038 WeakPolarHBondContact O-CA 3.43Å; V1006-T1039 PolarHBondContact N-OG1 2.95Å; V1006-T1039 PolarHBondContact O-N 3.22Å; V1006-T1039 PolarHBondContact O-OG1 2.91Å
1007	T	65.2	Low	60	Low	17 Å²	17	24.7 Å²	24.7	10%	0.104	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.5	-178.8	-50.5	0	0	0	0	110.4	Y105 L945 V1036 K1038	Y105-T1007 HydrophobicContact CD1-CG2 4.15Å; Y105-T1007 HydrophobicContact CE1-CG2 4.23Å; Y105-T1007 WeakPolarHBondContact CE1-OG1 3.47Å; L945-T1007 WeakPolarHBondContact CB-O 3.36Å; L945-T1007 HydrophobicContact CD1-CG2 4.11Å; L945-T1007 PolarHBondContact N-O 3.36Å; T1007-V1036 HydrophobicContact CG2-CG1 3.43Å; T1007-V1036 VanDerWaalsContact CG2-CG1 3.43Å; T1007-K1038 HydrophobicContact CG2-CB 4.39Å
1008	Y	64.7	Low	59.2	Low	17 Å²	17	24.5 Å²	24.5	7%	0.067	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.3	178.8	-66.3	-84.6	0	0	0	110.7	L911 Y942 R943 N944 L1002 Q1003 V1006 V1036 Q1037 T1039	L911-Y1008 HydrophobicContact CD1-CD2 4.44Å; Y942-Y1008 AromaticContact CD2-CD1 3.95Å; Y942-Y1008 HydrophobicContact CD2-CD1 3.95Å; Y942-Y1008 HydrophobicContact CD2-CE1 4.21Å; Y942-Y1008 HydrophobicContact CE2-CE1 4.44Å; R943-Y1008 WeakPolarHBondContact O-CA 3.24Å; N944-Y1008 HydrophobicContact CB-CD1 4.49Å; N944-Y1008 HydrophobicContact CB-CE1 4.2Å; L1002-Y1008 HydrophobicContact CB-CE2 3.78Å; L1002-Y1008 HydrophobicContact CD1-CD2 4.32Å; L1002-Y1008 HydrophobicContact CD1-CE2 4.33Å; L1002-Y1008 HydrophobicContact CD2-CD1 4.46Å; L1002-Y1008 HydrophobicContact CD2-CE1 4.02Å; L1002-Y1008 HydrophobicContact CD2-CE2 4.18Å; L1002-Y1008 HydrophobicContact CG-CE2 4.33Å; Q1003-Y1008 PolarHBondContact N-OH 3.36Å; Q1003-Y1008 VanDerWaalsContact N-OH 3.08Å; V1006-Y1008 HydrophobicContact CB-CE2 3.8Å; V1006-Y1008 HydrophobicContact CG1-CD2 4.15Å; V1006-Y1008 HydrophobicContact CG1-CE1 4.24Å; V1006-Y1008 HydrophobicContact CG1-CE2 3.57Å; Y1008-V1036 WeakPolarHBondContact O-CA 3.17Å; Y1008-Q1037 PolarHBondContact N-O 2.61Å; Y1008-Q1037 PolarHBondContact O-N 2.88Å; Y1008-T1039 HydrophobicContact CD2-CG2 4.2Å; Y1008-T1039 HydrophobicContact CE2-CG2 4.1Å
1009	A	60.3	Low	59	Low	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.9	162.2	0	0	0	0	0	109	Y942 R943 L945 V1036	Y942-A1009 CarbonylContact C-O 3.56Å; Y942-A1009 VanDerWaalsContact CA-O 3.22Å; Y942-A1009 WeakPolarHBondContact CA-O 3.47Å; R943-A1009 HydrophobicContact CG-CB 3.78Å; R943-A1009 PolarHBondContact N-O 2.85Å; R943-A1009 PolarHBondContact O-N 2.81Å; L945-A1009 HydrophobicContact CD1-CB 4.21Å; L945-A1009 HydrophobicContact CD2-CB 4.31Å; L945-A1009 HydrophobicContact CG-CB 4.36Å; A1009-V1036 HydrophobicContact CB-CG2 3.8Å
1010	V	63.3	Low	58.1	Low	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.5	-176.4	-178.1	0	0	0	0	109.6	I903 L911 I913 I940 I941 E1034 V1035	I903-V1010 HydrophobicContact CD1-CB 3.79Å; I903-V1010 HydrophobicContact CD1-CG1 3.97Å; I903-V1010 HydrophobicContact CD1-CG2 4.44Å; L911-V1010 HydrophobicContact CD1-CG2 4.17Å; I913-V1010 HydrophobicContact CD1-CG1 3.74Å; I940-V1010 HydrophobicContact CG2-CG1 4Å; I941-V1010 WeakPolarHBondContact O-CA 3.26Å; V1010-E1034 WeakPolarHBondContact O-CA 3.32Å; V1010-V1035 PolarHBondContact N-O 3.44Å; V1010-V1035 PolarHBondContact O-N 3.16Å
1011	S	55.3	Low	57.4	Low	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.4	172.9	179.2	0	0	0	0	110.5	I941 Y1013 S1032	I941-S1011 PolarHBondContact N-O 2.8Å; I941-S1011 PolarHBondContact O-N 3.38Å; S1011-Y1013 VanDerWaalsContact OG-CE2 3.28Å; S1011-Y1013 WeakPolarHBondContact OG-CE2 3.4Å; S1011-S1032 PolarHBondContact OG-OG 2.93Å
1012	V	59.3	Low	56.7	Low	1 Å²	1	48.7 Å²	48.7	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.4	177.5	178.6	0	0	0	0	109.4	I900 I913 W915 L1031 S1032	I900-V1012 HydrophobicContact CD1-CG2 3.99Å; I900-V1012 HydrophobicContact CG1-CG2 4.09Å; I913-V1012 HydrophobicContact CG2-CG2 4.5Å; W915-V1012 HydrophobicContact CD2-CG1 4.42Å; V1012-L1031 HydrophobicContact CG1-CB 4.37Å; V1012-L1031 HydrophobicContact CG1-CD1 4.1Å; V1012-L1031 WeakPolarHBondContact O-CB 3.46Å; V1012-L1031 PolarHBondContact O-N 2.72Å; V1012-S1032 PolarHBondContact N-OG 2.92Å
1013	Y	60.8	Low	55.4	Low	33 Å²	33	55 Å²	55	13%	0.129	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.8	178.6	-69.7	-107.3	0	0	0	109.9	F938 N939 I941 S1011 R1030	F938-Y1013 CarbonylContact C-O 3.58Å; F938-Y1013 WeakPolarHBondContact CA-O 3.31Å; N939-Y1013 PolarHBondContact N-O 2.83Å; N939-Y1013 PolarHBondContact O-N 3.27Å; I941-Y1013 HydrophobicContact CB-CD2 4.32Å; I941-Y1013 HydrophobicContact CB-CE2 4.23Å; I941-Y1013 HydrophobicContact CD1-CD1 4.44Å; I941-Y1013 HydrophobicContact CD1-CD2 3.45Å; I941-Y1013 VanDerWaalsContact CD1-CD2 3.45Å; I941-Y1013 HydrophobicContact CD1-CE2 3.59Å; I941-Y1013 HydrophobicContact CD1-CG 3.91Å; I941-Y1013 HydrophobicContact CG1-CD2 3.65Å; I941-Y1013 HydrophobicContact CG1-CE2 3.96Å; I941-Y1013 HydrophobicContact CG1-CG 4.43Å; S1011-Y1013 VanDerWaalsContact OG-CE2 3.28Å; S1011-Y1013 WeakPolarHBondContact OG-CE2 3.4Å; Y1013-R1030 HydrophobicContact CD1-CB 3.87Å; Y1013-R1030 HydrophobicContact CD1-CG 4.43Å; Y1013-R1030 HydrophobicContact CE1-CB 3.6Å; Y1013-R1030 HydrophobicContact CE1-CG 3.98Å; Y1013-R1030 HydrophobicContact CE2-CG 4.49Å
1014	I	55.7	Low	54.8	Low	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.5	163.3	-150.6	168.2	0	0	0	108.5	L894 L936 T937 F938 V1016 F1028 T1029 L1031	L894-I1014 HydrophobicContact CD1-CG2 3.86Å; L936-I1014 HydrophobicContact CD2-CD1 3.63Å; L936-I1014 HydrophobicContact CD2-CG1 4.44Å; T937-I1014 WeakPolarHBondContact O-CA 3.49Å; F938-I1014 HydrophobicContact CD1-CB 4.42Å; F938-I1014 HydrophobicContact CD1-CD1 4.2Å; F938-I1014 HydrophobicContact CD1-CG1 3.94Å; F938-I1014 HydrophobicContact CE1-CB 4.38Å; F938-I1014 HydrophobicContact CE1-CD1 3.44Å; F938-I1014 VanDerWaalsContact CE1-CD1 3.44Å; F938-I1014 HydrophobicContact CE1-CG1 3.7Å; F938-I1014 HydrophobicContact CZ-CD1 3.65Å; F938-I1014 HydrophobicContact CZ-CG1 4.16Å; I1014-V1016 HydrophobicContact CD1-CG2 4.02Å; I1014-V1016 HydrophobicContact CG1-CG2 3.97Å; I1014-V1016 HydrophobicContact CG2-CG2 4.14Å; I1014-F1028 WeakPolarHBondContact O-CA 3.31Å; I1014-T1029 PolarHBondContact N-O 2.79Å; I1014-T1029 PolarHBondContact O-N 2.88Å; I1014-L1031 HydrophobicContact CB-CD1 3.67Å; I1014-L1031 HydrophobicContact CB-CD2 3.88Å; I1014-L1031 HydrophobicContact CB-CG 3.93Å; I1014-L1031 HydrophobicContact CG1-CD1 4.42Å; I1014-L1031 HydrophobicContact CG2-CD1 4.49Å; I1014-L1031 HydrophobicContact CG2-CD2 3.75Å; I1014-L1031 HydrophobicContact CG2-CG 4.31Å
1015	E	57.1	Low	54	Low	8 Å²	8	56.1 Å²	56.1	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.8	159.3	165.8	-174.2	-125.7	0	0	106.6	T937 K1026 Y1027 F1028	T937-E1015 PolarHBondContact N-O 2.9Å; T937-E1015 VanDerWaalsContact N-O 3.11Å; T937-E1015 PolarHBondContact O-N 3.35Å; T937-E1015 VanDerWaalsContact OG1-CB 3.27Å; T937-E1015 WeakPolarHBondContact OG1-CB 3.47Å; T937-E1015 WeakPolarHBondContact OG1-CG 3.24Å; T937-E1015 PolarHBondContact OG1-O 3.32Å; T937-E1015 VanDerWaalsContact OG1-O 3.12Å; T937-E1015 PolarHBondContact OG1-OE2 2.94Å; E1015-K1026 WeakPolarHBondContact OE1-CD 3.26Å; E1015-K1026 WeakPolarHBondContact OE1-CE 3.27Å; E1015-K1026 IonicContact OE1-NZ 2.92Å; E1015-K1026 PolarHBondContact OE1-NZ 2.88Å; E1015-Y1027 WeakPolarHBondContact CA-O 3.39Å; E1015-F1028 HydrophobicContact CB-CD1 4.27Å; E1015-F1028 HydrophobicContact CB-CE1 4.21Å; E1015-F1028 HydrophobicContact CG-CE1 4.15Å
1016	V	53.6	Low	53.2	Low	5 Å²	5	57.7 Å²	57.7	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.7	175	-177.6	0	0	0	0	107.9	L894 F933 L936 I1014 K1018 Y1027	L894-V1016 HydrophobicContact CD1-CB 3.9Å; L894-V1016 HydrophobicContact CD1-CG2 3.41Å; L894-V1016 VanDerWaalsContact CD1-CG2 3.41Å; F933-V1016 HydrophobicContact CD1-CG1 3.29Å; F933-V1016 HydrophobicContact CE1-CG1 3.54Å; F933-V1016 HydrophobicContact CG-CG1 4.16Å; L936-V1016 HydrophobicContact CD2-CG2 3.85Å; I1014-V1016 HydrophobicContact CD1-CG2 4.02Å; I1014-V1016 HydrophobicContact CG1-CG2 3.97Å; I1014-V1016 HydrophobicContact CG2-CG2 4.14Å; V1016-K1018 PolarHBondContact O-N 3.32Å; V1016-Y1027 PolarHBondContact N-O 3.27Å; V1016-Y1027 PolarHBondContact O-N 3.38Å
1017	T	51.5	Low	52.6	Low	29 Å²	29	58.9 Å²	58.9	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	102.4	178.4	-57.4	0	0	0	0	108.8	I1019	T1017-I1019 HydrophobicContact CG2-CG1 4.35Å
1018	K	45.7	Very low	51.9	Low	12 Å²	12	63 Å²	63	5%	0.052	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.6	176.3	-149.8	176	-167.2	-172.2	0	109.8	M928 F933 V1016 Y1020 Q1025 Y1027	M928-K1018 PolarHBondContact SD-NZ 2.98Å; F933-K1018 HydrophobicContact CD1-CG 4.44Å; F933-K1018 HydrophobicContact CE1-CD 3.99Å; F933-K1018 HydrophobicContact CE1-CG 4.13Å; V1016-K1018 PolarHBondContact O-N 3.32Å; K1018-Y1020 HydrophobicContact CD-CE2 3.75Å; K1018-Y1020 WeakPolarHBondContact CE-OH 3.18Å; K1018-Y1020 HydrophobicContact CG-CE2 4.25Å; K1018-Y1020 PolarHBondContact NZ-OH 2.82Å; K1018-Q1025 PolarHBondContact N-O 2.88Å; K1018-Q1025 PolarHBondContact O-N 2.69Å; K1018-Y1027 HydrophobicContact CB-CD2 4.21Å; K1018-Y1027 HydrophobicContact CB-CE2 3.83Å; K1018-Y1027 HydrophobicContact CD-CE2 4.37Å
1019	I	47.3	Very low	51.1	Low	109 Å²	109	62.6 Å²	62.6	56%	0.559	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	100.6	179.7	-55.2	175.9	0	0	0	108.3	T1017	T1017-I1019 HydrophobicContact CG2-CG1 4.35Å
1020	Y	43.3	Very low	50.4	Low	122 Å²	122	65.3 Å²	65.3	48%	0.478	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	156.6	157.5	-72.7	-64	0	0	0	108.6	K1018 Y1022 Q1023	K1018-Y1020 HydrophobicContact CD-CE2 3.75Å; K1018-Y1020 WeakPolarHBondContact CE-OH 3.18Å; K1018-Y1020 HydrophobicContact CG-CE2 4.25Å; K1018-Y1020 PolarHBondContact NZ-OH 2.82Å; Y1020-Y1022 PolarHBondContact O-N 2.92Å; Y1020-Q1023 PolarHBondContact N-O 3.32Å; Y1020-Q1023 PolarHBondContact O-N 3.47Å; Y1020-Q1023 VanDerWaalsContact O-O 3.04Å
1021	H	39.7	Very low	49.9	Very low	186 Å²	186	65.7 Å²	65.7	86%	0.861	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	109.9	-170.5	-73.1	-66.2	0	0	0	113	Q1023	H1021-Q1023 PolarHBondContact O-N 2.78Å
1022	Y	45.7	Very low	49.7	Very low	232 Å²	232	66.3 Å²	66.3	91%	0.91	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	9.8	179	-51.8	-79.1	0	0	0	118.2	Y1020	Y1020-Y1022 PolarHBondContact O-N 2.92Å
1023	Q	40.7	Very low	49	Very low	138 Å²	138	70 Å²	70	65%	0.645	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	124	166.5	-73.7	-170.6	-20.7	0	0	112.5	Y1020 H1021	Y1020-Q1023 PolarHBondContact N-O 3.32Å; Y1020-Q1023 PolarHBondContact O-N 3.47Å; Y1020-Q1023 VanDerWaalsContact O-O 3.04Å; H1021-Q1023 PolarHBondContact O-N 2.78Å
1024	S	48.4	Very low	48.6	Very low	86 Å²	86	69.3 Å²	69.3	60%	0.601	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.2	168.8	43.4	0	0	0	0	110.2
1025	Q	48.2	Very low	48.3	Very low	93 Å²	93	71.2 Å²	71.2	44%	0.435	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.2	170.9	-72.8	-177.2	-24.7	0	0	109.3	K1018 Y1027	K1018-Q1025 PolarHBondContact N-O 2.88Å; K1018-Q1025 PolarHBondContact O-N 2.69Å; Q1025-Y1027 HydrophobicContact CB-CD2 4.49Å; Q1025-Y1027 HydrophobicContact CB-CE2 3.78Å; Q1025-Y1027 PolarHBondContact OE1-OH 2.88Å; Q1025-Y1027 VanDerWaalsContact OE1-OH 3.1Å
1026	K	50	Low	48.4	Very low	110 Å²	110	72.5 Å²	72.5	48%	0.478	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.2	176.3	-70.4	179.9	161.6	-143.2	0	109.3	E1015 F1028	E1015-K1026 WeakPolarHBondContact OE1-CD 3.26Å; E1015-K1026 WeakPolarHBondContact OE1-CE 3.27Å; E1015-K1026 IonicContact OE1-NZ 2.92Å; E1015-K1026 PolarHBondContact OE1-NZ 2.88Å; K1026-F1028 HydrophobicContact CB-CE2 3.73Å; K1026-F1028 HydrophobicContact CB-CZ 3.76Å; K1026-F1028 HydrophobicContact CD-CZ 4.17Å
1027	Y	48.4	Very low	48.8	Very low	36 Å²	36	75.1 Å²	75.1	14%	0.141	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.6	174.7	-64.8	-93.6	0	0	0	109.5	L894 E1015 V1016 K1018 Q1025	L894-Y1027 HydrophobicContact CD2-CG 4.29Å; E1015-Y1027 WeakPolarHBondContact CA-O 3.39Å; V1016-Y1027 PolarHBondContact N-O 3.27Å; V1016-Y1027 PolarHBondContact O-N 3.38Å; K1018-Y1027 HydrophobicContact CB-CD2 4.21Å; K1018-Y1027 HydrophobicContact CB-CE2 3.83Å; K1018-Y1027 HydrophobicContact CD-CE2 4.37Å; Q1025-Y1027 HydrophobicContact CB-CD2 4.49Å; Q1025-Y1027 HydrophobicContact CB-CE2 3.78Å; Q1025-Y1027 PolarHBondContact OE1-OH 2.88Å; Q1025-Y1027 VanDerWaalsContact OE1-OH 3.1Å
1028	F	51.1	Low	49.2	Very low	105 Å²	105	75.7 Å²	75.7	46%	0.461	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124	-176.1	-60.8	-84.1	0	0	0	109.6	I1014 E1015 K1026	I1014-F1028 WeakPolarHBondContact O-CA 3.31Å; E1015-F1028 HydrophobicContact CB-CD1 4.27Å; E1015-F1028 HydrophobicContact CB-CE1 4.21Å; E1015-F1028 HydrophobicContact CG-CE1 4.15Å; K1026-F1028 HydrophobicContact CB-CE2 3.73Å; K1026-F1028 HydrophobicContact CB-CZ 3.76Å; K1026-F1028 HydrophobicContact CD-CZ 4.17Å
1029	T	47.3	Very low	50.1	Low	7 Å²	7	75.2 Å²	75.2	4%	0.043	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.3	173.6	-66.2	0	0	0	0	110.2	L894 I1014 L1031	L894-T1029 PolarHBondContact N-OG1 2.87Å; I1014-T1029 PolarHBondContact N-O 2.79Å; I1014-T1029 PolarHBondContact O-N 2.88Å; T1029-L1031 HydrophobicContact CG2-CD2 4.34Å; T1029-L1031 PolarHBondContact O-N 2.93Å
1030	R	46.7	Very low	50.7	Low	57 Å²	57	73.6 Å²	73.6	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	114.7	175.7	174.7	168.7	148.4	167.6	-7.9	108.6	Y1013 S1032 E1034	Y1013-R1030 HydrophobicContact CD1-CB 3.87Å; Y1013-R1030 HydrophobicContact CD1-CG 4.43Å; Y1013-R1030 HydrophobicContact CE1-CB 3.6Å; Y1013-R1030 HydrophobicContact CE1-CG 3.98Å; Y1013-R1030 HydrophobicContact CE2-CG 4.49Å; R1030-S1032 WeakPolarHBondContact CG-O 3.48Å; R1030-S1032 PolarHBondContact NE-O 3.19Å; R1030-E1034 IonicContact CZ-OE1 3.34Å; R1030-E1034 IonicContact NH1-OE1 3.71Å; R1030-E1034 PolarHBondContact NH1-OE1 3.15Å; R1030-E1034 VanDerWaalsContact NH2-N 3.18Å; R1030-E1034 IonicContact NH2-OE1 3.16Å; R1030-E1034 PolarHBondContact NH2-OE1 2.9Å; R1030-E1034 VanDerWaalsContact NH2-OE1 3.14Å
1031	L	51.5	Low	51.1	Low	8 Å²	8	71.3 Å²	71.3	4%	0.042	35%	0.345	C	S	.	.			trans	-87.2	-7.2	-171.9	-59.9	-174.1	0	0	0	113.7	L898 F938 V1012 I1014 T1029	L898-L1031 CarbonylContact C-O 3.56Å; L898-L1031 HydrophobicContact CB-CB 3.91Å; L898-L1031 HydrophobicContact CB-CD2 4.41Å; L898-L1031 HydrophobicContact CD1-CD1 4.22Å; L898-L1031 HydrophobicContact CD1-CD2 3.84Å; L898-L1031 HydrophobicContact CD1-CG 4.47Å; L898-L1031 HydrophobicContact CD2-CD1 3.84Å; L898-L1031 HydrophobicContact CG-CD1 4.43Å; L898-L1031 VanDerWaalsContact O-O 3.06Å; F938-L1031 HydrophobicContact CD1-CD1 3.79Å; F938-L1031 HydrophobicContact CE1-CD1 3.79Å; V1012-L1031 HydrophobicContact CG1-CB 4.37Å; V1012-L1031 HydrophobicContact CG1-CD1 4.1Å; V1012-L1031 WeakPolarHBondContact O-CB 3.46Å; V1012-L1031 PolarHBondContact O-N 2.72Å; I1014-L1031 HydrophobicContact CB-CD1 3.67Å; I1014-L1031 HydrophobicContact CB-CD2 3.88Å; I1014-L1031 HydrophobicContact CB-CG 3.93Å; I1014-L1031 HydrophobicContact CG1-CD1 4.42Å; I1014-L1031 HydrophobicContact CG2-CD1 4.49Å; I1014-L1031 HydrophobicContact CG2-CD2 3.75Å; I1014-L1031 HydrophobicContact CG2-CG 4.31Å; T1029-L1031 HydrophobicContact CG2-CD2 4.34Å; T1029-L1031 PolarHBondContact O-N 2.93Å
1032	S	51.3	Low	51.4	Low	13 Å²	13	70 Å²	70	9%	0.091	34%	0.337	C	S	.	.	S	Bend	trans	-139.7	165.7	-173.1	73	0	0	0	0	113.3	I900 S1011 V1012 R1030	I900-S1032 VanDerWaalsContact CD1-CB 3.41Å; I900-S1032 WeakPolarHBondContact CD1-OG 3.14Å; S1011-S1032 PolarHBondContact OG-OG 2.93Å; V1012-S1032 PolarHBondContact N-OG 2.92Å; R1030-S1032 WeakPolarHBondContact CG-O 3.48Å; R1030-S1032 PolarHBondContact NE-O 3.19Å
1033	N	45.9	Very low	51.3	Low	80 Å²	80	65.9 Å²	65.9	43%	0.428	33%	0.33	S	S	.	.			trans	-65.7	157	153.5	-42.5	-68.4	0	0	0	107.9	K669	K669-N1033 PolarHBondContact NZ-OD1 2.63Å
1034	E	51	Low	51.2	Low	17 Å²	17	66.6 Å²	66.6	8%	0.079	34%	0.336	C	S	.	.			trans	-66.2	136.8	158.1	-79.7	158.6	-90.7	0	0	107.6	F109 R943 W959 V1010 R1030	F109-E1034 WeakPolarHBondContact CE1-O 3.44Å; R943-E1034 IonicContact CZ-OE2 2.71Å; R943-E1034 IonicContact NE-OE2 2.71Å; R943-E1034 IonicContact NH2-OE2 2.64Å; R943-E1034 PolarHBondContact NH2-OE2 3.13Å; W959-E1034 HydrophobicContact CH2-CG 4.39Å; V1010-E1034 WeakPolarHBondContact O-CA 3.32Å; R1030-E1034 IonicContact CZ-OE1 3.34Å; R1030-E1034 IonicContact NH1-OE1 3.71Å; R1030-E1034 PolarHBondContact NH1-OE1 3.15Å; R1030-E1034 VanDerWaalsContact NH2-N 3.18Å; R1030-E1034 IonicContact NH2-OE1 3.16Å; R1030-E1034 PolarHBondContact NH2-OE1 2.9Å; R1030-E1034 VanDerWaalsContact NH2-OE1 3.14Å
1035	V	50.7	Low	50.6	Low	43 Å²	43	67.1 Å²	67.1	26%	0.261	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.6	175.1	177.6	0	0	0	0	107	I900 I903 V1010	I900-V1035 HydrophobicContact CD1-CG2 4.34Å; I900-V1035 HydrophobicContact CG2-CG2 4.49Å; I903-V1035 HydrophobicContact CB-CG1 4.05Å; I903-V1035 HydrophobicContact CD1-CB 3.67Å; I903-V1035 HydrophobicContact CD1-CG1 3.74Å; I903-V1035 HydrophobicContact CG1-CB 4.26Å; I903-V1035 HydrophobicContact CG1-CG1 3.91Å; V1010-V1035 PolarHBondContact N-O 3.44Å; V1010-V1035 PolarHBondContact O-N 3.16Å
1036	V	58.9	Low	49.6	Very low	35 Å²	35	70.8 Å²	70.8	21%	0.212	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.2	-172.6	176.6	0	0	0	0	109.1	F109 L945 T1007 Y1008 A1009	F109-V1036 HydrophobicContact CD2-CG2 4.37Å; F109-V1036 HydrophobicContact CE2-CB 4Å; F109-V1036 HydrophobicContact CE2-CG2 3.41Å; F109-V1036 VanDerWaalsContact CE2-CG2 3.41Å; F109-V1036 HydrophobicContact CZ-CB 4.09Å; F109-V1036 HydrophobicContact CZ-CG2 3.52Å; L945-V1036 HydrophobicContact CD1-CG1 3.8Å; L945-V1036 HydrophobicContact CD1-CG2 4.22Å; T1007-V1036 HydrophobicContact CG2-CG1 3.43Å; T1007-V1036 VanDerWaalsContact CG2-CG1 3.43Å; Y1008-V1036 WeakPolarHBondContact O-CA 3.17Å; A1009-V1036 HydrophobicContact CB-CG2 3.8Å
1037	Q	61.4	Low	48.8	Very low	59 Å²	59	70.4 Å²	70.4	28%	0.276	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.6	-177.7	-170	67.5	11	0	0	110.2	I903 T905 L911 Y1008	I903-Q1037 HydrophobicContact CG2-CB 3.98Å; I903-Q1037 HydrophobicContact CG2-CG 4.21Å; T905-Q1037 HydrophobicContact CG2-CG 3.67Å; L911-Q1037 HydrophobicContact CD2-CB 3.93Å; L911-Q1037 HydrophobicContact CD2-CG 3.54Å; Y1008-Q1037 PolarHBondContact N-O 2.61Å; Y1008-Q1037 PolarHBondContact O-N 2.88Å
1038	K	60.6	Low	48	Very low	42 Å²	42	76.5 Å²	76.5	18%	0.183	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.3	178.1	-177.6	-178.1	176	-162.5	0	110.9	E103 Y105 T905 N1005 V1006 T1007	E103-K1038 IonicContact OE1-NZ 2.7Å; E103-K1038 PolarHBondContact OE1-NZ 3.27Å; E103-K1038 IonicContact OE2-NZ 3.55Å; E103-K1038 PolarHBondContact OE2-NZ 3.03Å; Y105-K1038 HydrophobicContact CE1-CD 3.97Å; Y105-K1038 WeakPolarHBondContact OH-CD 3.4Å; Y105-K1038 PolarHBondContact OH-NZ 3.06Å; T905-K1038 WeakPolarHBondContact CG2-O 3.32Å; N1005-K1038 WeakPolarHBondContact O-CE 3.39Å; N1005-K1038 WeakPolarHBondContact OD1-CE 3.27Å; N1005-K1038 PolarHBondContact OD1-NZ 2.87Å; V1006-K1038 CarbonylContact O-C 3.53Å; V1006-K1038 WeakPolarHBondContact O-CA 3.43Å; T1007-K1038 HydrophobicContact CG2-CB 4.39Å
1039	T	63.6	Low	46.9	Very low	1 Å²	1	78.2 Å²	78.2	1%	0.006	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.1	175.5	52.9	0	0	0	0	111.4	Q908 L1002 Q1003 P1004 N1005 V1006 Y1008	Q908-T1039 WeakPolarHBondContact O-CB 3.37Å; L1002-T1039 HydrophobicContact CB-CG2 4.16Å; L1002-T1039 HydrophobicContact CD1-CG2 4.4Å; Q1003-T1039 PolarHBondContact O-OG1 3.27Å; P1004-T1039 WeakPolarHBondContact CA-OG1 3.48Å; N1005-T1039 WeakPolarHBondContact CA-O 3.42Å; N1005-T1039 PolarHBondContact N-O 3.17Å; N1005-T1039 PolarHBondContact N-OG1 2.97Å; N1005-T1039 VanDerWaalsContact N-OG1 3.08Å; V1006-T1039 PolarHBondContact N-OG1 2.95Å; V1006-T1039 PolarHBondContact O-N 3.22Å; V1006-T1039 PolarHBondContact O-OG1 2.91Å; Y1008-T1039 HydrophobicContact CD2-CG2 4.2Å; Y1008-T1039 HydrophobicContact CE2-CG2 4.1Å
1040	L	60.9	Low	46.1	Very low	76 Å²	76	87.3 Å²	87.3	40%	0.398	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-61.8	144.5	-175.1	-92.4	73.5	0	0	0	112.1	T905 Q908 N1005	T905-L1040 VanDerWaalsContact CB-CD1 3.48Å; T905-L1040 HydrophobicContact CG2-CD1 4.03Å; T905-L1040 WeakPolarHBondContact OG1-CD1 3.37Å; Q908-L1040 HydrophobicContact CG-CB 4.08Å; N1005-L1040 PolarHBondContact N-O 2.81Å
1041	P	51.7	Low	45.2	Very low	74 Å²	74	91.3 Å²	91.3	48%	0.481	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65.7	146.8	172.1	28.5	-34.4	0	0	0	111.2	N1005 L1043	N1005-P1041 HydrophobicContact CB-CB 4.43Å; P1041-L1043 PolarHBondContact O-N 3.06Å
1042	K	45.8	Very low	44.1	Very low	157 Å²	157	98.1 Å²	98.1	68%	0.683	52%	0.519	S	S	*	.			trans	-72.8	114.1	177.9	-169.3	169	-171.3	173.5	0	110	I1044	K1042-I1044 PolarHBondContact O-N 3.15Å
1043	L	42.5	Very low	43	Very low	146 Å²	146	105 Å²	105	76%	0.764	55%	0.548	S	S	*	.			trans	-60.3	122.9	179.2	-117.6	83.8	0	0	0	110.9	P1041	P1041-L1043 PolarHBondContact O-N 3.06Å
1044	I	38.8	Very low	42.2	Very low	154 Å²	154	109.4 Å²	109.4	79%	0.79	56%	0.564	S	S	*	*			trans	-92.2	100.8	166.4	-59	176.8	0	0	0	107.2	K1042 L1046	K1042-I1044 PolarHBondContact O-N 3.15Å; I1044-L1046 PolarHBondContact O-N 3.39Å
1045	S	36.3	Very low	41.2	Very low	96 Å²	96	113.8 Å²	113.8	67%	0.671	59%	0.591	S	S	*	*			trans	-68.6	111.3	175.9	53.7	0	0	0	0	110.8	S1047	S1045-S1047 VanDerWaalsContact C-N 3.26Å; S1045-S1047 PolarHBondContact O-N 3.25Å
1046	L	27.5	Very low	40.1	Very low	171 Å²	171	120 Å²	120	90%	0.895	62%	0.615	S	S	*	*			trans	-74	77.6	170.8	-82.5	161.2	0	0	0	110.5	I1044 I1048	I1044-L1046 PolarHBondContact O-N 3.39Å; L1046-I1048 PolarHBondContact O-N 3.14Å
1047	S	31.9	Very low	38.7	Very low	101 Å²	101	125 Å²	125	71%	0.706	64%	0.64	S	S	*	*			trans	-80.2	104.3	171.9	56.8	0	0	0	0	110.7	S1045	S1045-S1047 VanDerWaalsContact C-N 3.26Å; S1045-S1047 PolarHBondContact O-N 3.25Å
1048	I	33.4	Very low	37	Very low	164 Å²	164	126.5 Å²	126.5	84%	0.841	66%	0.657	S	S	*	*			trans	-85.5	134	160	-64.8	176.5	0	0	0	107.4	L1046	L1046-I1048 PolarHBondContact O-N 3.14Å
1049	N	27.2	Very low	35.6	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	69%	0.686	S	S	*	*			trans	-71	142.3	177.5	-71.7	-26	0	0	0	111.4
1050	E	31.4	Very low	33.9	Very low	197 Å²	197	137 Å²	137	92%	0.921	72%	0.721	S	S	*	*				-160.8	174.8	115.1	-108.3	169.5	-154	0	0	110.8
1051	N	27	Very low	32.5	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	74%	0.738	S	S	*	*			trans	-145.8	153.9	-141	-141.6	-19.4	0	0	0	114.7
1052	Q	28.4	Very low	31.3	Very low	151 Å²	151	144.7 Å²	144.7	71%	0.706	75%	0.753	S	S	*	*			trans	70.8	147.6	172.7	-48.1	168.8	-9.8	0	0	114.7
1053	F	28.3	Very low	30.7	Very low	158 Å²	158	144.5 Å²	144.5	69%	0.693	76%	0.757	S	S	*	*			cis	-155	135.5	40.7	-107.8	-100.6	0	0	0	114
1054	F	29.7	Very low	30.1	Very low	173 Å²	173	145 Å²	145	76%	0.759	76%	0.761	S	S	*	*			trans	58	152.4	135.8	-79.1	-121	0	0	0	123.3
1055	V	29.1	Very low	29.6	Very low	109 Å²	109	147.1 Å²	147.1	66%	0.661	77%	0.767	S	S	*	*			cis	-170	143.9	-29.6	104	0	0	0	0	114.2
1056	K	28.5	Very low	29.1	Very low	173 Å²	173	150.4 Å²	150.4	75%	0.752	78%	0.776	S	S	*	*			trans	67.2	136.4	152.8	-76.3	-178.1	177.8	178.2	0	126.3
1057	N	29.3	Very low	29.1	Very low	139 Å²	139	149.3 Å²	149.3	74%	0.743	77%	0.769	S	S	*	*			trans	73.2	147.8	137.4	-70	21.3	0	0	0	121.2
1058	S	25.5	Very low	28.7	Very low	91 Å²	91	152.2 Å²	152.2	64%	0.636	77%	0.773	S	S	*	*			cis	-171.5	172.9	-18.4	51.9	0	0	0	0	112.5
1059	T	31.5	Very low	28.4	Very low	128 Å²	128	149.9 Å²	149.9	79%	0.785	77%	0.766	S	S	*	*			trans	73.9	123.5	162.8	56.2	0	0	0	0	121.5
1060	N	27.5	Very low	28.3	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	77%	0.766	S	S	*	*			trans	2.7	154.9	146.7	-60	23.6	0	0	0	120.2
1061	E	30.5	Very low	28	Very low	164 Å²	164	146.3 Å²	146.3	77%	0.766	76%	0.763	S	S	*	*			cis	-150.8	174.8	26.8	-149.7	142.8	-99	0	0	115.1
1062	N	27.9	Very low	27.8	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	77%	0.766	S	S	*	*			trans	-52.2	144.1	-165.9	-58.1	-55.9	0	0	0	118.1
1063	I	31.8	Very low	27.8	Very low	152 Å²	152	147.2 Å²	147.2	78%	0.779	77%	0.768	S	S	*	*				-163	131.7	115.8	-99.3	155.5	0	0	0	110.9
1064	N	30.3	Very low	27.7	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	78%	0.776	S	S	*	*			trans	40.8	95	163.9	-59.4	-8.1	0	0	0	119.3
1065	Q	28	Very low	27.4	Very low	200 Å²	200	144.1 Å²	144.1	94%	0.935	77%	0.767	S	S	*	*			trans	-89.5	157.7	171.2	-72.1	179.8	-35.1	0	0	113.9
1066	L	25.8	Very low	27.2	Very low	164 Å²	164	145 Å²	145	86%	0.859	77%	0.773	S	S	*	*			trans	-140.7	139.7	172.8	-162.4	82.1	0	0	0	109.6
1067	M	27.5	Very low	27	Very low	149 Å²	149	141.2 Å²	141.2	73%	0.734	77%	0.769	S	S	*	*			trans	71.5	106.1	163.9	-63	-106.7	-79.9	0	0	121.1
1068	M	24.9	Very low	26.9	Very low	161 Å²	161	141.2 Å²	141.2	79%	0.793	77%	0.769	S	S	*	*				66.9	128.7	122.8	-73.2	-171.2	167.9	0	0	124.6
1069	V	26	Very low	26.9	Very low	116 Å²	116	145.1 Å²	145.1	70%	0.703	78%	0.779	S	S	*	*			trans	71.4	135	131.9	171.1	0	0	0	0	118.5
1070	D	24.8	Very low	26.5	Very low	142 Å²	142	147.9 Å²	147.9	76%	0.759	78%	0.78	S	S	*	*			cis	-164.4	152.9	-16.7	-103.4	-14.5	0	0	0	109.1
1071	S	24.9	Very low	26.5	Very low	121 Å²	121	146.7 Å²	146.7	85%	0.846	78%	0.782	S	S	*	*			trans	-160.8	126.6	157.5	66.4	0	0	0	0	116.2
1072	F	24.7	Very low	26.3	Very low	188 Å²	188	147.1 Å²	147.1	83%	0.825	78%	0.782	S	S	*	*			trans	-42.7	136.8	172.3	-83.8	-116.7	0	0	0	115.8
1073	V	27	Very low	26.1	Very low	124 Å²	124	147.5 Å²	147.5	75%	0.752	78%	0.78	S	S	*	*				77.3	105.4	72.8	171.8	0	0	0	0	115.2
1074	Q	26.3	Very low	25.7	Very low	184 Å²	184	146.5 Å²	146.5	86%	0.86	78%	0.781	S	S	*	*			trans	171.3	153.2	142.3	-99	-175.4	-8.4	0	0	109.6
1075	S	24.4	Very low	25.6	Very low	82 Å²	82	142.4 Å²	142.4	57%	0.573	78%	0.776	S	S	*	*			cis	-174.1	150.9	-31.1	45.8	0	0	0	0	110.3
1076	T	23.9	Very low	25.6	Very low	126 Å²	126	141.7 Å²	141.7	77%	0.773	77%	0.773	S	S	*	*			trans	45.1	121.1	147.3	57.9	0	0	0	0	119.1
1077	S	24.3	Very low	25.7	Very low	95 Å²	95	139.3 Å²	139.3	66%	0.664	77%	0.765	S	S	*	*				167.1	174.9	62.9	47.2	0	0	0	0	111.4
1078	N	27.4	Very low	25.8	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	77%	0.767	S	S	*	*			trans	74.3	141.7	165.5	-63.3	-37.9	0	0	0	117.4
1079	M	26.3	Very low	26.1	Very low	172 Å²	172	134.6 Å²	134.6	85%	0.847	76%	0.764	S	S	*	*			cis	-143.2	156.6	3.2	-136.1	172.4	-161	0	0	113.8
1080	K	23.2	Very low	26.3	Very low	187 Å²	187	136.7 Å²	136.7	81%	0.813	77%	0.771	S	S	*	*			trans	-75.1	153.3	169	-73.3	177.1	175.2	174.2	0	110.9
1081	S	27.3	Very low	26.3	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	78%	0.776	S	S	*	*			trans	76.1	158.7	158.4	87.5	0	0	0	0	116.4
1082	K	25.1	Very low	26.5	Very low	173 Å²	173	141 Å²	141	75%	0.752	78%	0.775	S	S	*	*			cis	-153.8	131.9	8.1	-150.2	168.3	179.2	-175.9	0	113.6
1083	M	23.5	Very low	26.6	Very low	154 Å²	154	138.1 Å²	138.1	76%	0.759	77%	0.769	S	S	*	*			trans	41.6	122.8	142.5	-64.3	171.8	142.6	0	0	123.1
1084	T	24.1	Very low	26.8	Very low	131 Å²	131	140.1 Å²	140.1	80%	0.804	77%	0.774	S	S	*	*				68.8	115.1	129.7	61	0	0	0	0	123.2
1085	G	29.1	Very low	26.9	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	78%	0.776	S	S	*	*				-151	120.1	124.3	0	0	0	0	0	107.9
1086	Q	26.6	Very low	27	Very low	186 Å²	186	137.2 Å²	137.2	87%	0.869	77%	0.768	S	S	*	*				70.1	131.3	63.4	-75.8	-164.5	-15.7	0	0	113
1087	V	27.8	Very low	27.2	Very low	114 Å²	114	141 Å²	141	69%	0.691	77%	0.774	S	S	*	*			cis	-137.5	153.9	4.2	-177.7	0	0	0	0	110
1088	G	31	Very low	27.4	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	79%	0.785	S	S	*	*			trans	-174.6	75.4	172.1	0	0	0	0	0	112.5	N1090	G1088-N1090 PolarHBondContact O-N 3.25Å
1089	N	30.9	Very low	27.4	Very low	135 Å²	135	143.2 Å²	143.2	72%	0.722	78%	0.781	S	S	*	*			trans	-75	123.4	-165.9	-62	-22.7	0	0	0	113.6
1090	N	30.4	Very low	27.3	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	78%	0.781	S	S	*	*				-168.5	136.3	101.2	-92.9	-20.1	0	0	0	111.9	G1088	G1088-N1090 PolarHBondContact O-N 3.25Å
1091	K	24.8	Very low	27.6	Very low	196 Å²	196	142.4 Å²	142.4	85%	0.852	78%	0.78	S	S	*	*			trans	-102.6	133.8	165.5	-67.8	177.9	178.2	178.7	0	108.1
1092	N	27.7	Very low	27.7	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	79%	0.787	S	S	*	*			trans	175.9	151.7	141.2	-85.5	-13.6	0	0	0	108.6
1093	D	28.2	Very low	27.8	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	78%	0.782	S	S	*	*			trans	19.4	103.5	168.4	-72.9	-61.5	0	0	0	120.5	S1096	D1093-S1096 PolarHBondContact OD1-OG 2.92Å
1094	L	30.8	Very low	28.2	Very low	166 Å²	166	147 Å²	147	87%	0.869	78%	0.781	S	S	*	*				-156.3	37.1	128.1	-142.3	70.6	0	0	0	116.9
1095	T	27.6	Very low	29	Very low	146 Å²	146	147.5 Å²	147.5	90%	0.896	78%	0.779	S	S	*	*	S	Bend	trans	-106.8	47.1	156.6	54.6	0	0	0	0	110.1
1096	S	27	Very low	29.7	Very low	58 Å²	58	148 Å²	148	41%	0.406	77%	0.771	S	S	.	*			trans	-128.8	46.9	-163.3	44.5	0	0	0	0	112.8	D1093	D1093-S1096 PolarHBondContact OD1-OG 2.92Å
1097	K	27.3	Very low	30.5	Very low	207 Å²	207	146.8 Å²	146.8	90%	0.9	76%	0.76	S	S	*	*	S	Bend	trans	-146.2	28.9	178.2	-137.6	173	-173.5	177.5	0	117.5
1098	L	29.4	Very low	32	Very low	172 Å²	172	145.6 Å²	145.6	90%	0.901	75%	0.753	S	S	*	*	S	Bend	trans	-148.3	16.4	167.4	-115.2	157.4	0	0	0	114.4
1099	T	26.8	Very low	33.2	Very low	108 Å²	108	147 Å²	147	66%	0.663	74%	0.742	S	S	*	*			trans	-127.6	63	-179.8	42.5	0	0	0	0	111.3
1100	K	25.9	Very low	34.7	Very low	195 Å²	195	145.8 Å²	145.8	85%	0.848	73%	0.734	S	S	*	*			trans	-144	140.2	165	-96.9	-176.7	177.7	177.6	0	109.8
1101	N	27.5	Very low	36.7	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	72%	0.719	S	S	*	*	S	Bend	trans	83.7	140.4	-167.3	-53.3	-9.3	0	0	0	113.5
1102	Y	30.5	Very low	39.3	Very low	234 Å²	234	137.4 Å²	137.4	92%	0.918	70%	0.7	S	S	*	*	S	Bend	trans	61.1	41.2	-171.4	-56.7	-70	0	0	0	116.7
1103	Q	27.9	Very low	41.5	Very low	140 Å²	140	134.7 Å²	134.7	65%	0.654	69%	0.685	S	S	*	*			trans	-146.6	61.4	169.2	-157.5	173.3	15.9	0	0	113.3
1104	H	31.7	Very low	43.9	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.745	68%	0.676	S	S	*	*	S	Bend	trans	-142.1	-42.6	164.6	-101.4	-55.9	0	0	0	114.9	S1106	H1104-S1106 PolarHBondContact O-N 2.81Å
1105	D	40.7	Very low	46.4	Very low	142 Å²	142	126.1 Å²	126.1	76%	0.759	66%	0.657	S	S	*	*	H	α-helix	trans	-71.7	-33.6	-172.5	-53.9	-53.1	0	0	0	113.9	Y1107 V1108 L1109	D1105-Y1107 PolarHBondContact O-N 3.15Å; D1105-V1108 PolarHBondContact O-N 3.13Å; D1105-L1109 PolarHBondContact O-N 2.87Å
1106	S	42.5	Very low	49.1	Very low	79 Å²	79	123.9 Å²	123.9	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-34.5	-176.8	-44.4	0	0	0	0	113.5	H1104 L1109 I1110	H1104-S1106 PolarHBondContact O-N 2.81Å; S1106-L1109 PolarHBondContact O-N 3.44Å; S1106-I1110 VanDerWaalsContact O-CG1 3.3Å; S1106-I1110 WeakPolarHBondContact O-CG1 3.39Å; S1106-I1110 PolarHBondContact O-N 2.87Å
1107	Y	45.3	Very low	51.5	Low	162 Å²	162	123.9 Å²	123.9	64%	0.635	64%	0.642	S	S	*	*	H	α-helix	trans	-72.4	-36.2	-179.4	-113.8	-83.2	0	0	0	112	D1105 I1110 V1111	D1105-Y1107 PolarHBondContact O-N 3.15Å; Y1107-I1110 PolarHBondContact O-N 2.88Å; Y1107-V1111 WeakPolarHBondContact O-CB 3.39Å; Y1107-V1111 VanDerWaalsContact O-CG2 3.32Å; Y1107-V1111 WeakPolarHBondContact O-CG2 3.28Å; Y1107-V1111 PolarHBondContact O-N 3.14Å
1108	V	57.7	Low	54.3	Low	89 Å²	89	115.5 Å²	115.5	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-64.3	-43.4	173.3	177.8	0	0	0	0	110	D1105 V1111 I1112	D1105-V1108 PolarHBondContact O-N 3.13Å; V1108-V1111 PolarHBondContact O-N 3.49Å; V1108-I1112 HydrophobicContact CG1-CD1 3.71Å; V1108-I1112 HydrophobicContact CG1-CG1 4.37Å; V1108-I1112 WeakPolarHBondContact O-CB 3.43Å; V1108-I1112 VanDerWaalsContact O-CG1 3.27Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; V1108-I1112 PolarHBondContact O-N 2.78Å
1109	L	56.9	Low	57.1	Low	106 Å²	106	111 Å²	111	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-63.2	-43.4	176.8	-161.2	77.9	0	0	0	112.3	D1105 S1106 I1112 L1113	D1105-L1109 PolarHBondContact O-N 2.87Å; S1106-L1109 PolarHBondContact O-N 3.44Å; L1109-I1112 PolarHBondContact O-N 3.02Å; L1109-L1113 HydrophobicContact CD2-CD1 4.22Å; L1109-L1113 HydrophobicContact CG-CD1 3.96Å; L1109-L1113 HydrophobicContact CG-CG 4.45Å; L1109-L1113 WeakPolarHBondContact O-CB 3.26Å; L1109-L1113 VanDerWaalsContact O-CG 3.27Å; L1109-L1113 WeakPolarHBondContact O-CG 3.2Å; L1109-L1113 PolarHBondContact O-N 2.91Å
1110	I	62.5	Low	59.9	Low	109 Å²	109	110.8 Å²	110.8	56%	0.559	59%	0.589	S	S	*	*	H	α-helix	trans	-65	-41	177.6	-70.6	165.6	0	0	0	111.5	S1106 Y1107 G1114	S1106-I1110 VanDerWaalsContact O-CG1 3.3Å; S1106-I1110 WeakPolarHBondContact O-CG1 3.39Å; S1106-I1110 PolarHBondContact O-N 2.87Å; Y1107-I1110 PolarHBondContact O-N 2.88Å; I1110-G1114 PolarHBondContact O-N 3.24Å
1111	V	72.9	Confident	62.8	Low	88 Å²	88	106.6 Å²	106.6	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-67.6	-39.1	175.6	170.8	0	0	0	0	111.3	Y1107 V1108 S1115	Y1107-V1111 WeakPolarHBondContact O-CB 3.39Å; Y1107-V1111 VanDerWaalsContact O-CG2 3.32Å; Y1107-V1111 WeakPolarHBondContact O-CG2 3.28Å; Y1107-V1111 PolarHBondContact O-N 3.14Å; V1108-V1111 PolarHBondContact O-N 3.49Å; V1111-S1115 VanDerWaalsContact O-CB 3.26Å; V1111-S1115 WeakPolarHBondContact O-CB 3.44Å; V1111-S1115 PolarHBondContact O-N 2.84Å; V1111-S1115 PolarHBondContact O-OG 2.77Å
1112	I	77.9	Confident	65.7	Low	91 Å²	91	104.6 Å²	104.6	47%	0.467	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-47.2	175.3	-72.5	170.9	0	0	0	110.5	V1108 L1109 S1115 L1116	V1108-I1112 HydrophobicContact CG1-CD1 3.71Å; V1108-I1112 HydrophobicContact CG1-CG1 4.37Å; V1108-I1112 WeakPolarHBondContact O-CB 3.43Å; V1108-I1112 VanDerWaalsContact O-CG1 3.27Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; V1108-I1112 PolarHBondContact O-N 2.78Å; L1109-I1112 PolarHBondContact O-N 3.02Å; I1112-S1115 CarbonylContact O-C 3.57Å; I1112-S1115 WeakPolarHBondContact O-CB 3.5Å; I1112-S1115 PolarHBondContact O-N 2.93Å; I1112-L1116 WeakPolarHBondContact O-CB 3.46Å; I1112-L1116 PolarHBondContact O-N 2.8Å
1113	L	74.4	Confident	68.5	Low	99 Å²	99	97.4 Å²	97.4	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-40.9	179.4	-72.7	169.7	0	0	0	112.1	L1109 L1116 A1117	L1109-L1113 HydrophobicContact CD2-CD1 4.22Å; L1109-L1113 HydrophobicContact CG-CD1 3.96Å; L1109-L1113 HydrophobicContact CG-CG 4.45Å; L1109-L1113 WeakPolarHBondContact O-CB 3.26Å; L1109-L1113 VanDerWaalsContact O-CG 3.27Å; L1109-L1113 WeakPolarHBondContact O-CG 3.2Å; L1109-L1113 PolarHBondContact O-N 2.91Å; L1113-L1116 PolarHBondContact O-N 3.34Å; L1113-A1117 WeakPolarHBondContact O-CB 3.47Å; L1113-A1117 PolarHBondContact O-N 3.45Å
1114	G	79.2	Confident	71.5	Confident	47 Å²	47	97.3 Å²	97.3	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-38.7	172.6	0	0	0	0	0	112.7	I1110 G1118	I1110-G1114 PolarHBondContact O-N 3.24Å; G1114-G1118 PolarHBondContact O-N 2.76Å
1115	S	84	Confident	74.3	Confident	69 Å²	69	94 Å²	94	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-41.5	171.9	-57.9	0	0	0	0	111.6	V1111 I1112 G1118 V1119	V1111-S1115 VanDerWaalsContact O-CB 3.26Å; V1111-S1115 WeakPolarHBondContact O-CB 3.44Å; V1111-S1115 PolarHBondContact O-N 2.84Å; V1111-S1115 PolarHBondContact O-OG 2.77Å; I1112-S1115 CarbonylContact O-C 3.57Å; I1112-S1115 WeakPolarHBondContact O-CB 3.5Å; I1112-S1115 PolarHBondContact O-N 2.93Å; S1115-G1118 PolarHBondContact O-N 3.25Å; S1115-V1119 WeakPolarHBondContact O-CB 3.22Å; S1115-V1119 VanDerWaalsContact O-CG2 3.31Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.37Å; S1115-V1119 PolarHBondContact O-N 2.73Å
1116	L	82.6	Confident	76.6	Confident	99 Å²	99	91.1 Å²	91.1	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177.8	-139.1	88.4	0	0	0	110.9	I1112 L1113 V1119 L1120	I1112-L1116 WeakPolarHBondContact O-CB 3.46Å; I1112-L1116 PolarHBondContact O-N 2.8Å; L1113-L1116 PolarHBondContact O-N 3.34Å; L1116-V1119 PolarHBondContact O-N 3.49Å; L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.31Å; L1116-L1120 VanDerWaalsContact O-CG 3.24Å; L1116-L1120 WeakPolarHBondContact O-CG 3.45Å; L1116-L1120 PolarHBondContact O-N 3.23Å
1117	A	79.2	Confident	78.9	Confident	57 Å²	57	91.8 Å²	91.8	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-41.9	175.1	0	0	0	0	0	111.7	L1113 L1120 L1121	L1113-A1117 WeakPolarHBondContact O-CB 3.47Å; L1113-A1117 PolarHBondContact O-N 3.45Å; A1117-L1120 PolarHBondContact O-N 2.84Å; A1117-L1121 VanDerWaalsContact O-CB 3.24Å; A1117-L1121 WeakPolarHBondContact O-CB 3.39Å; A1117-L1121 PolarHBondContact O-N 3.27Å
1118	G	85.1	Confident	80.9	Confident	31 Å²	31	87.8 Å²	87.8	32%	0.32	50%	0.497	S	S	.	.	H	α-helix	trans	-62.1	-45.4	173.3	0	0	0	0	0	112.8	G1114 S1115 L1121 I1122	G1114-G1118 PolarHBondContact O-N 2.76Å; S1115-G1118 PolarHBondContact O-N 3.25Å; G1118-L1121 PolarHBondContact O-N 2.77Å; G1118-I1122 WeakPolarHBondContact O-CB 3.46Å; G1118-I1122 VanDerWaalsContact O-CG1 3.26Å; G1118-I1122 WeakPolarHBondContact O-CG1 3.31Å; G1118-I1122 PolarHBondContact O-N 2.8Å
1119	V	88.3	Confident	82.3	Confident	79 Å²	79	87.1 Å²	87.1	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.4	167.9	0	0	0	0	111.3	S1115 L1116 I1122 I1123	S1115-V1119 WeakPolarHBondContact O-CB 3.22Å; S1115-V1119 VanDerWaalsContact O-CG2 3.31Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.37Å; S1115-V1119 PolarHBondContact O-N 2.73Å; L1116-V1119 PolarHBondContact O-N 3.49Å; V1119-I1122 PolarHBondContact O-N 2.91Å; V1119-I1123 HydrophobicContact CG1-CD1 3.74Å; V1119-I1123 HydrophobicContact CG1-CG1 4.4Å; V1119-I1123 WeakPolarHBondContact O-CB 3.43Å; V1119-I1123 VanDerWaalsContact O-CG1 3.25Å; V1119-I1123 WeakPolarHBondContact O-CG1 3.36Å; V1119-I1123 PolarHBondContact O-N 3.3Å
1120	L	85.5	Confident	83.7	Confident	103 Å²	103	87 Å²	87	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-39.8	175.2	-75.4	168.7	0	0	0	111.9	L1116 A1117 I1123 F1124	L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.31Å; L1116-L1120 VanDerWaalsContact O-CG 3.24Å; L1116-L1120 WeakPolarHBondContact O-CG 3.45Å; L1116-L1120 PolarHBondContact O-N 3.23Å; A1117-L1120 PolarHBondContact O-N 2.84Å; L1120-I1123 PolarHBondContact O-N 3.37Å; L1120-F1124 WeakPolarHBondContact O-CB 3.44Å; L1120-F1124 PolarHBondContact O-N 2.76Å
1121	L	87.1	Confident	84.5	Confident	107 Å²	107	85.4 Å²	85.4	56%	0.56	49%	0.486	S	S	*	.	H	α-helix	trans	-67.1	-39.6	175.2	-174.6	149.3	0	0	0	111.4	A1117 G1118 F1124 I1125	A1117-L1121 VanDerWaalsContact O-CB 3.24Å; A1117-L1121 WeakPolarHBondContact O-CB 3.39Å; A1117-L1121 PolarHBondContact O-N 3.27Å; G1118-L1121 PolarHBondContact O-N 2.77Å; L1121-F1124 PolarHBondContact O-N 3.24Å; L1121-I1125 HydrophobicContact CD2-CD1 3.63Å; L1121-I1125 HydrophobicContact CD2-CG1 4.39Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.43Å; L1121-I1125 PolarHBondContact O-N 3.4Å
1122	I	88.6	Confident	85	Confident	105 Å²	105	85.8 Å²	85.8	54%	0.538	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-45.3	172	-70.2	164.4	0	0	0	110.6	G1118 V1119 F1124 I1125 V1126	G1118-I1122 WeakPolarHBondContact O-CB 3.46Å; G1118-I1122 VanDerWaalsContact O-CG1 3.26Å; G1118-I1122 WeakPolarHBondContact O-CG1 3.31Å; G1118-I1122 PolarHBondContact O-N 2.8Å; V1119-I1122 PolarHBondContact O-N 2.91Å; I1122-F1124 VanDerWaalsContact C-N 3.29Å; I1122-F1124 PolarHBondContact O-N 2.82Å; I1122-I1125 PolarHBondContact O-N 3.42Å; I1122-V1126 HydrophobicContact CG2-CG2 4.33Å; I1122-V1126 WeakPolarHBondContact O-CB 3.06Å; I1122-V1126 VanDerWaalsContact O-CG2 3.29Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.36Å; I1122-V1126 PolarHBondContact O-N 2.81Å
1123	I	89.5	Confident	85.2	Confident	82 Å²	82	87.5 Å²	87.5	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-40.2	174.8	-71.3	165.5	0	0	0	110.5	V1119 L1120 V1126 L1127	V1119-I1123 HydrophobicContact CG1-CD1 3.74Å; V1119-I1123 HydrophobicContact CG1-CG1 4.4Å; V1119-I1123 WeakPolarHBondContact O-CB 3.43Å; V1119-I1123 VanDerWaalsContact O-CG1 3.25Å; V1119-I1123 WeakPolarHBondContact O-CG1 3.36Å; V1119-I1123 PolarHBondContact O-N 3.3Å; L1120-I1123 PolarHBondContact O-N 3.37Å; I1123-V1126 CarbonylContact O-C 3.59Å; I1123-V1126 PolarHBondContact O-N 2.85Å; I1123-L1127 HydrophobicContact CG2-CD1 3.94Å; I1123-L1127 HydrophobicContact CG2-CG 4.34Å; I1123-L1127 WeakPolarHBondContact O-CB 3.35Å; I1123-L1127 VanDerWaalsContact O-CG 3.31Å; I1123-L1127 WeakPolarHBondContact O-CG 3.29Å; I1123-L1127 PolarHBondContact O-N 2.9Å
1124	F	89.9	Confident	85.3	Confident	138 Å²	138	88.9 Å²	88.9	61%	0.605	48%	0.484	S	S	*	.	H	α-helix	trans	-67.8	-39	177.7	-157.8	-108.4	0	0	0	112.1	L1120 L1121 I1122 L1127 I1128	L1120-F1124 WeakPolarHBondContact O-CB 3.44Å; L1120-F1124 PolarHBondContact O-N 2.76Å; L1121-F1124 PolarHBondContact O-N 3.24Å; I1122-F1124 VanDerWaalsContact C-N 3.29Å; I1122-F1124 PolarHBondContact O-N 2.82Å; F1124-L1127 PolarHBondContact O-N 2.76Å; F1124-I1128 HydrophobicContact CD1-CD1 3.63Å; F1124-I1128 HydrophobicContact CD1-CG1 4.45Å; F1124-I1128 HydrophobicContact CE1-CD1 3.58Å; F1124-I1128 HydrophobicContact CE1-CG1 4.42Å; F1124-I1128 HydrophobicContact CZ-CD1 4.43Å; F1124-I1128 WeakPolarHBondContact O-CB 3.42Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; F1124-I1128 PolarHBondContact O-N 2.85Å
1125	I	89.6	Confident	84.7	Confident	91 Å²	91	96.3 Å²	96.3	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-67.2	-38	171.5	-68.5	175.7	0	0	0	111.1	L1121 I1122 I1128 T1129	L1121-I1125 HydrophobicContact CD2-CD1 3.63Å; L1121-I1125 HydrophobicContact CD2-CG1 4.39Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.43Å; L1121-I1125 PolarHBondContact O-N 3.4Å; I1122-I1125 PolarHBondContact O-N 3.42Å; I1125-I1128 PolarHBondContact O-N 3.14Å; I1125-T1129 HydrophobicContact CG2-CG2 4.31Å; I1125-T1129 WeakPolarHBondContact O-CB 3.26Å; I1125-T1129 WeakPolarHBondContact O-CG2 3.28Å; I1125-T1129 PolarHBondContact O-N 2.79Å; I1125-T1129 PolarHBondContact O-OG1 2.99Å
1126	V	89.4	Confident	83.7	Confident	83 Å²	83	98.4 Å²	98.4	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-38.7	174.4	168.2	0	0	0	0	110.5	I1122 I1123 T1129 F1130	I1122-V1126 HydrophobicContact CG2-CG2 4.33Å; I1122-V1126 WeakPolarHBondContact O-CB 3.06Å; I1122-V1126 VanDerWaalsContact O-CG2 3.29Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.36Å; I1122-V1126 PolarHBondContact O-N 2.81Å; I1123-V1126 CarbonylContact O-C 3.59Å; I1123-V1126 PolarHBondContact O-N 2.85Å; V1126-T1129 WeakPolarHBondContact CA-OG1 3.49Å; V1126-T1129 PolarHBondContact O-OG1 2.78Å; V1126-F1130 WeakPolarHBondContact O-CA 3.06Å; V1126-F1130 WeakPolarHBondContact O-CB 3.47Å; V1126-F1130 PolarHBondContact O-N 2.82Å
1127	L	90.6	Very high	82.5	Confident	93 Å²	93	97.5 Å²	97.5	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-71.1	-39.2	175.4	-74.4	171.5	0	0	0	112.2	I1123 F1124 F1130 C1131	I1123-L1127 HydrophobicContact CG2-CD1 3.94Å; I1123-L1127 HydrophobicContact CG2-CG 4.34Å; I1123-L1127 WeakPolarHBondContact O-CB 3.35Å; I1123-L1127 VanDerWaalsContact O-CG 3.31Å; I1123-L1127 WeakPolarHBondContact O-CG 3.29Å; I1123-L1127 PolarHBondContact O-N 2.9Å; F1124-L1127 PolarHBondContact O-N 2.76Å; L1127-F1130 PolarHBondContact O-N 2.86Å; L1127-C1131 VanDerWaalsContact O-CB 3.31Å; L1127-C1131 WeakPolarHBondContact O-CB 3.39Å; L1127-C1131 PolarHBondContact O-N 3.28Å; L1127-C1131 PolarHBondContact O-SG 2.85Å
1128	I	88.4	Confident	81.1	Confident	77 Å²	77	100 Å²	100	40%	0.395	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-47.1	173.3	-74.1	169.5	0	0	0	110.6	F1124 I1125 F1130 C1131 I1132	F1124-I1128 HydrophobicContact CD1-CD1 3.63Å; F1124-I1128 HydrophobicContact CD1-CG1 4.45Å; F1124-I1128 HydrophobicContact CE1-CD1 3.58Å; F1124-I1128 HydrophobicContact CE1-CG1 4.42Å; F1124-I1128 HydrophobicContact CZ-CD1 4.43Å; F1124-I1128 WeakPolarHBondContact O-CB 3.42Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; F1124-I1128 PolarHBondContact O-N 2.85Å; I1125-I1128 PolarHBondContact O-N 3.14Å; I1128-F1130 VanDerWaalsContact C-N 3.33Å; I1128-F1130 PolarHBondContact O-N 2.92Å; I1128-C1131 PolarHBondContact O-N 2.87Å; I1128-I1132 HydrophobicContact CG2-CD1 3.71Å; I1128-I1132 HydrophobicContact CG2-CG1 4.46Å; I1128-I1132 WeakPolarHBondContact O-CB 3.39Å; I1128-I1132 VanDerWaalsContact O-CG1 3.28Å; I1128-I1132 WeakPolarHBondContact O-CG1 3.31Å; I1128-I1132 PolarHBondContact O-N 3.21Å
1129	T	86.1	Confident	78.9	Confident	75 Å²	75	107.4 Å²	107.4	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-32.5	177.9	53.3	0	0	0	0	111.6	I1125 V1126 W1133	I1125-T1129 HydrophobicContact CG2-CG2 4.31Å; I1125-T1129 WeakPolarHBondContact O-CB 3.26Å; I1125-T1129 WeakPolarHBondContact O-CG2 3.28Å; I1125-T1129 PolarHBondContact O-N 2.79Å; I1125-T1129 PolarHBondContact O-OG1 2.99Å; V1126-T1129 WeakPolarHBondContact CA-OG1 3.49Å; V1126-T1129 PolarHBondContact O-OG1 2.78Å; T1129-W1133 WeakPolarHBondContact O-CA 3.25Å; T1129-W1133 WeakPolarHBondContact O-CB 3.26Å; T1129-W1133 PolarHBondContact O-N 3.13Å
1130	F	86.1	Confident	76.3	Confident	105 Å²	105	107 Å²	107	46%	0.461	53%	0.525	S	S	.	.	H	α-helix	trans	-68.4	-39	169.5	-173.6	-96.3	0	0	0	111.9	V1126 L1127 I1128 W1133 Y1134	V1126-F1130 WeakPolarHBondContact O-CA 3.06Å; V1126-F1130 WeakPolarHBondContact O-CB 3.47Å; V1126-F1130 PolarHBondContact O-N 2.82Å; L1127-F1130 PolarHBondContact O-N 2.86Å; I1128-F1130 VanDerWaalsContact C-N 3.33Å; I1128-F1130 PolarHBondContact O-N 2.92Å; F1130-W1133 AromaticContact CD2-CE3 3.96Å; F1130-W1133 HydrophobicContact CD2-CE3 3.96Å; F1130-W1133 HydrophobicContact CD2-CZ3 4.28Å; F1130-W1133 AromaticContact CE2-CE3 3.87Å; F1130-W1133 HydrophobicContact CE2-CE3 3.87Å; F1130-W1133 AromaticContact CE2-CZ3 3.75Å; F1130-W1133 HydrophobicContact CE2-CZ3 3.75Å; F1130-W1133 HydrophobicContact CZ-CZ3 4.42Å; F1130-W1133 PolarHBondContact O-N 3.26Å; F1130-Y1134 WeakPolarHBondContact O-CA 3.45Å; F1130-Y1134 WeakPolarHBondContact O-CB 3.47Å; F1130-Y1134 PolarHBondContact O-N 3.41Å
1131	C	81	Confident	73.8	Confident	75 Å²	75	109.3 Å²	109.3	51%	0.507	53%	0.533	S	S	.	.	H	α-helix	trans	-68	-38.3	174.5	-73	0	0	0	0	112.4	L1127 I1128 R1135	L1127-C1131 VanDerWaalsContact O-CB 3.31Å; L1127-C1131 WeakPolarHBondContact O-CB 3.39Å; L1127-C1131 PolarHBondContact O-N 3.28Å; L1127-C1131 PolarHBondContact O-SG 2.85Å; I1128-C1131 PolarHBondContact O-N 2.87Å; C1131-R1135 WeakPolarHBondContact O-CB 3.42Å; C1131-R1135 WeakPolarHBondContact O-CG 3.42Å; C1131-R1135 PolarHBondContact O-N 2.95Å
1132	I	81.9	Confident	71	Confident	95 Å²	95	115 Å²	115	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-46.9	174	-69.8	167.8	0	0	0	109.9	I1128 R1135 L1136	I1128-I1132 HydrophobicContact CG2-CD1 3.71Å; I1128-I1132 HydrophobicContact CG2-CG1 4.46Å; I1128-I1132 WeakPolarHBondContact O-CB 3.39Å; I1128-I1132 VanDerWaalsContact O-CG1 3.28Å; I1128-I1132 WeakPolarHBondContact O-CG1 3.31Å; I1128-I1132 PolarHBondContact O-N 3.21Å; I1132-R1135 PolarHBondContact O-N 3.47Å; I1132-L1136 HydrophobicContact CG2-CD1 3.86Å; I1132-L1136 WeakPolarHBondContact O-CB 3.44Å; I1132-L1136 VanDerWaalsContact O-CG 3.26Å; I1132-L1136 WeakPolarHBondContact O-CG 3.47Å; I1132-L1136 PolarHBondContact O-N 3.39Å
1133	W	82.1	Confident	68.3	Low	128 Å²	128	115.8 Å²	115.8	49%	0.485	56%	0.56	S	S	.	*	H	α-helix	trans	-60.3	-47.7	175.6	179.6	80.2	0	0	0	111.1	T1129 F1130 R1135 L1136 H1137	T1129-W1133 WeakPolarHBondContact O-CA 3.25Å; T1129-W1133 WeakPolarHBondContact O-CB 3.26Å; T1129-W1133 PolarHBondContact O-N 3.13Å; F1130-W1133 AromaticContact CD2-CE3 3.96Å; F1130-W1133 HydrophobicContact CD2-CE3 3.96Å; F1130-W1133 HydrophobicContact CD2-CZ3 4.28Å; F1130-W1133 AromaticContact CE2-CE3 3.87Å; F1130-W1133 HydrophobicContact CE2-CE3 3.87Å; F1130-W1133 AromaticContact CE2-CZ3 3.75Å; F1130-W1133 HydrophobicContact CE2-CZ3 3.75Å; F1130-W1133 HydrophobicContact CZ-CZ3 4.42Å; F1130-W1133 PolarHBondContact O-N 3.26Å; W1133-R1135 PolarHBondContact O-N 3.34Å; W1133-L1136 CarbonylContact O-C 3.48Å; W1133-L1136 WeakPolarHBondContact O-CA 3.45Å; W1133-L1136 WeakPolarHBondContact O-CB 3.5Å; W1133-L1136 PolarHBondContact O-N 2.88Å; W1133-H1137 AromaticContact CE2-CD2 3.42Å; W1133-H1137 VanDerWaalsContact CE2-CD2 3.42Å; W1133-H1137 AromaticContact CE2-NE2 3.92Å; W1133-H1137 AromaticContact CZ2-CD2 3.47Å; W1133-H1137 VanDerWaalsContact CZ2-CD2 3.47Å; W1133-H1137 WeakPolarHBondContact CZ2-CD2 3.19Å; W1133-H1137 AromaticContact CZ2-CG 3.91Å; W1133-H1137 AromaticContact CZ2-NE2 3.59Å; W1133-H1137 AromaticContact NE1-CD2 3.41Å; W1133-H1137 PolarHBondContact NE1-CD2 2.72Å; W1133-H1137 AromaticContact NE1-NE2 3.92Å; W1133-H1137 WeakPolarHBondContact O-CB 3.42Å; W1133-H1137 PolarHBondContact O-N 3.22Å
1134	Y	77.4	Confident	65.3	Low	127 Å²	127	124.2 Å²	124.2	50%	0.498	59%	0.587	S	S	.	*	H	α-helix	trans	-61.7	-41.4	176.8	-173.1	-112	0	0	0	111.9	F1130 L1136 H1137 L1138	F1130-Y1134 WeakPolarHBondContact O-CA 3.45Å; F1130-Y1134 WeakPolarHBondContact O-CB 3.47Å; F1130-Y1134 PolarHBondContact O-N 3.41Å; Y1134-L1136 VanDerWaalsContact C-N 3.31Å; Y1134-L1136 PolarHBondContact O-N 2.87Å; Y1134-H1137 PolarHBondContact O-N 3.1Å; Y1134-L1138 HydrophobicContact CD1-CD1 3.75Å; Y1134-L1138 HydrophobicContact CE1-CD1 3.48Å; Y1134-L1138 VanDerWaalsContact CE1-CD1 3.48Å; Y1134-L1138 HydrophobicContact CE1-CG 4.43Å; Y1134-L1138 HydrophobicContact CE2-CD1 4.34Å; Y1134-L1138 HydrophobicContact CE2-CG 4.48Å; Y1134-L1138 HydrophobicContact CG-CD1 4.29Å; Y1134-L1138 VanDerWaalsContact O-CB 3.27Å; Y1134-L1138 WeakPolarHBondContact O-CB 3.35Å; Y1134-L1138 WeakPolarHBondContact O-CG 3.44Å; Y1134-L1138 PolarHBondContact O-N 3.28Å
1135	R	66.3	Low	62.3	Low	203 Å²	203	120.5 Å²	120.5	77%	0.766	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-25.7	171.3	-80.4	-164.4	-179.3	-123.4	6	114	C1131 I1132 W1133	C1131-R1135 WeakPolarHBondContact O-CB 3.42Å; C1131-R1135 WeakPolarHBondContact O-CG 3.42Å; C1131-R1135 PolarHBondContact O-N 2.95Å; I1132-R1135 PolarHBondContact O-N 3.47Å; W1133-R1135 PolarHBondContact O-N 3.34Å
1136	L	63.3	Low	59.4	Low	113 Å²	113	126.9 Å²	126.9	59%	0.592	61%	0.607	S	S	*	*	H	α-helix	trans	-82.1	-36.4	173.2	-71.8	167.1	0	0	0	111.9	I1132 W1133 Y1134 K1139 S1140	I1132-L1136 HydrophobicContact CG2-CD1 3.86Å; I1132-L1136 WeakPolarHBondContact O-CB 3.44Å; I1132-L1136 VanDerWaalsContact O-CG 3.26Å; I1132-L1136 WeakPolarHBondContact O-CG 3.47Å; I1132-L1136 PolarHBondContact O-N 3.39Å; W1133-L1136 CarbonylContact O-C 3.48Å; W1133-L1136 WeakPolarHBondContact O-CA 3.45Å; W1133-L1136 WeakPolarHBondContact O-CB 3.5Å; W1133-L1136 PolarHBondContact O-N 2.88Å; Y1134-L1136 VanDerWaalsContact C-N 3.31Å; Y1134-L1136 PolarHBondContact O-N 2.87Å; L1136-K1139 CarbonylContact O-C 3.17Å; L1136-K1139 WeakPolarHBondContact O-CA 3.18Å; L1136-K1139 WeakPolarHBondContact O-CB 3.41Å; L1136-K1139 PolarHBondContact O-N 3.16Å; L1136-K1139 VanDerWaalsContact O-N 3.1Å; L1136-S1140 PolarHBondContact O-N 3.16Å; L1136-S1140 VanDerWaalsContact O-N 3.16Å
1137	H	58.2	Low	56.5	Low	80 Å²	80	133.6 Å²	133.6	37%	0.37	63%	0.63	S	S	.	*	H	α-helix	trans	-75.5	-37.1	179.6	-123.2	-95	0	0	0	112.2	W1133 Y1134 K1139 S1140 Q1141	W1133-H1137 AromaticContact CE2-CD2 3.42Å; W1133-H1137 VanDerWaalsContact CE2-CD2 3.42Å; W1133-H1137 AromaticContact CE2-NE2 3.92Å; W1133-H1137 AromaticContact CZ2-CD2 3.47Å; W1133-H1137 VanDerWaalsContact CZ2-CD2 3.47Å; W1133-H1137 WeakPolarHBondContact CZ2-CD2 3.19Å; W1133-H1137 AromaticContact CZ2-CG 3.91Å; W1133-H1137 AromaticContact CZ2-NE2 3.59Å; W1133-H1137 AromaticContact NE1-CD2 3.41Å; W1133-H1137 PolarHBondContact NE1-CD2 2.72Å; W1133-H1137 AromaticContact NE1-NE2 3.92Å; W1133-H1137 WeakPolarHBondContact O-CB 3.42Å; W1133-H1137 PolarHBondContact O-N 3.22Å; Y1134-H1137 PolarHBondContact O-N 3.1Å; H1137-K1139 PolarHBondContact O-N 3.43Å; H1137-S1140 WeakPolarHBondContact CA-OG 3.33Å; H1137-S1140 PolarHBondContact O-N 3.03Å; H1137-S1140 PolarHBondContact O-OG 3.38Å; H1137-Q1141 PolarHBondContact O-N 3.46Å
1138	L	49.1	Very low	53.5	Low	111 Å²	111	132.4 Å²	132.4	58%	0.581	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	165.4	-77	169.9	0	0	0	112.6	Y1134	Y1134-L1138 HydrophobicContact CD1-CD1 3.75Å; Y1134-L1138 HydrophobicContact CE1-CD1 3.48Å; Y1134-L1138 VanDerWaalsContact CE1-CD1 3.48Å; Y1134-L1138 HydrophobicContact CE1-CG 4.43Å; Y1134-L1138 HydrophobicContact CE2-CD1 4.34Å; Y1134-L1138 HydrophobicContact CE2-CG 4.48Å; Y1134-L1138 HydrophobicContact CG-CD1 4.29Å; Y1134-L1138 VanDerWaalsContact O-CB 3.27Å; Y1134-L1138 WeakPolarHBondContact O-CB 3.35Å; Y1134-L1138 WeakPolarHBondContact O-CG 3.44Å; Y1134-L1138 PolarHBondContact O-N 3.28Å
1139	K	38.9	Very low	50.7	Low	185 Å²	185	131.7 Å²	131.7	80%	0.804	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	3.5	169.5	-77.4	-170.4	170.9	-169.8	0	114	L1136 H1137	L1136-K1139 CarbonylContact O-C 3.17Å; L1136-K1139 WeakPolarHBondContact O-CA 3.18Å; L1136-K1139 WeakPolarHBondContact O-CB 3.41Å; L1136-K1139 PolarHBondContact O-N 3.16Å; L1136-K1139 VanDerWaalsContact O-N 3.1Å; H1137-K1139 PolarHBondContact O-N 3.43Å
1140	S	34.3	Very low	48	Very low	71 Å²	71	136.9 Å²	136.9	50%	0.497	68%	0.676	S	S	.	*	S	Bend	trans	-119.8	18.2	178.2	78.1	0	0	0	0	114.1	L1136 H1137	L1136-S1140 PolarHBondContact O-N 3.16Å; L1136-S1140 VanDerWaalsContact O-N 3.16Å; H1137-S1140 WeakPolarHBondContact CA-OG 3.33Å; H1137-S1140 PolarHBondContact O-N 3.03Å; H1137-S1140 PolarHBondContact O-OG 3.38Å
1141	Q	31.4	Very low	45.2	Very low	152 Å²	152	139 Å²	139	71%	0.71	69%	0.692	S	S	*	*	S	Bend	trans	-126.1	41.7	174.4	-84	-165.5	-35.9	0	0	114.4	H1137	H1137-Q1141 PolarHBondContact O-N 3.46Å
1142	Y	29	Very low	42.6	Very low	226 Å²	226	143.6 Å²	143.6	89%	0.886	71%	0.711	S	S	*	*	S	Bend	trans	-135	141	143.8	-83.1	-73.6	0	0	0	109.6
1143	P	32.1	Very low	40.1	Very low	121 Å²	121	144 Å²	144	79%	0.786	72%	0.723	S	S	*	*			trans	-79.8	160.2	-167.2	31.9	-36	0	0	0	113.4	G1145	P1143-G1145 PolarHBondContact O-N 2.87Å
1144	R	26.1	Very low	37.7	Very low	259 Å²	259	146.1 Å²	146.1	98%	0.977	74%	0.738	S	S	*	*			trans	-61.7	121.7	171.5	-70.7	175	172.6	161.6	-4.4	110.9
1145	G	26.6	Very low	35.3	Very low	60 Å²	60	147 Å²	147	62%	0.619	75%	0.751	S	S	*	*			trans	-175.3	149.4	169.3	0	0	0	0	0	110.3	P1143	P1143-G1145 PolarHBondContact O-N 2.87Å
1146	Y	29.6	Very low	33.3	Very low	226 Å²	226	142.8 Å²	142.8	89%	0.886	75%	0.748	S	S	*	*			trans	59.9	50.9	174.9	-57.8	-73.8	0	0	0	117.4
1147	F	28.4	Very low	31.8	Very low	224 Å²	224	146.7 Å²	146.7	98%	0.982	76%	0.763	S	S	*	*			trans	-110.8	110.7	131.3	-97.2	-85.9	0	0	0	107.4
1148	G	28	Very low	30.3	Very low	67 Å²	67	148.6 Å²	148.6	69%	0.691	78%	0.78	S	S	*	*			trans	136.8	97.3	-167.8	0	0	0	0	0	110.9
1149	G	29.7	Very low	29.6	Very low	62 Å²	62	148.4 Å²	148.4	64%	0.639	79%	0.785	S	S	*	*			cis	-172.9	172.9	-5.5	0	0	0	0	0	113.6
1150	L	28.9	Very low	29.1	Very low	184 Å²	184	148.5 Å²	148.5	96%	0.963	79%	0.786	S	S	*	*	S	Bend	trans	-72	132.6	143.6	-83	160.3	0	0	0	106.5
1151	N	26.8	Very low	28.7	Very low	150 Å²	150	153 Å²	153	80%	0.802	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.3	137.8	-175.7	-70.1	-28.2	0	0	0	111.5	S1153	N1151-S1153 PolarHBondContact O-N 2.73Å
1152	D	26.3	Very low	28.6	Very low	171 Å²	171	156.9 Å²	156.9	91%	0.914	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.1	150.3	-74.2	-48.2	0	0	0	108.6	Q1154	D1152-Q1154 PolarHBondContact O-N 3.48Å
1153	S	30.7	Very low	28.4	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	80%	0.797	S	S	*	*			trans	-87.2	108.5	174	59	0	0	0	0	110.7	N1151	N1151-S1153 PolarHBondContact O-N 2.73Å
1154	Q	30.2	Very low	28.1	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	80%	0.797	S	S	*	*			trans	70.4	105.8	157	-66.8	178.8	-23	0	0	115.8	D1152	D1152-Q1154 PolarHBondContact O-N 3.48Å
1155	L	28.4	Very low	28.1	Very low	146 Å²	146	147.1 Å²	147.1	76%	0.764	79%	0.791	S	S	*	*				89.3	93.1	87.1	-104.2	75.2	0	0	0	113.4
1156	T	24.2	Very low	28	Very low	114 Å²	114	152.6 Å²	152.6	70%	0.699	80%	0.8	S	S	*	*				55.9	109.5	120.1	59	0	0	0	0	119.8
1157	E	30.1	Very low	27.6	Very low	195 Å²	195	152.5 Å²	152.5	91%	0.911	80%	0.799	S	S	*	*				-140.7	157.9	118.2	-126	173.4	-148	0	0	111.2
1158	T	27.2	Very low	27.5	Very low	120 Å²	120	148.6 Å²	148.6	74%	0.736	78%	0.783	S	S	*	*			trans	-151.9	-171.8	-163.9	65.7	0	0	0	0	109.5
1159	P	34.6	Very low	27.3	Very low	106 Å²	106	150.9 Å²	150.9	69%	0.688	78%	0.78	S	S	*	*			cis	-129.2	168.7	-40.7	28.1	-9.9	0	0	0	113.3
1160	K	28.7	Very low	27.1	Very low	188 Å²	188	156.2 Å²	156.2	82%	0.817	79%	0.786	S	S	*	*			trans	-175.9	118	137.5	-99.9	148.1	-173.4	172.4	0	109.6
1161	Q	26.6	Very low	26.8	Very low	166 Å²	166	155 Å²	155	78%	0.776	78%	0.775	S	S	*	*				57.2	126.4	98.1	-74.9	-171.7	-12	0	0	113.6
1162	R	28.6	Very low	26.9	Very low	233 Å²	233	154.4 Å²	154.4	88%	0.879	78%	0.777	S	S	*	*				-155.6	-178.9	50.9	-131.9	172.4	-163	176.7	2.9	114.8
1163	T	25.1	Very low	26.9	Very low	110 Å²	110	154.8 Å²	154.8	68%	0.675	77%	0.773	S	S	*	*			trans	-118.7	156.2	-175.7	50.3	0	0	0	0	112.4
1164	I	26.1	Very low	27	Very low	152 Å²	152	154.5 Å²	154.5	78%	0.779	77%	0.769	S	S	*	*			trans	62.5	109.1	154.3	-59.6	152.1	0	0	0	117.5
1165	T	24.8	Very low	26.7	Very low	139 Å²	139	153.2 Å²	153.2	85%	0.853	77%	0.766	S	S	*	*				-174.3	165.4	113.2	34.1	0	0	0	0	110.7
1166	E	24.7	Very low	26.5	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.813	76%	0.76	S	S	*	*			trans	-101.7	162	176.1	-63.7	173.1	121.9	0	0	111.9
1167	W	22.5	Very low	26.5	Very low	225 Å²	225	151 Å²	151	85%	0.852	76%	0.759	S	S	*	*			trans	19.4	127.9	142.3	-63.8	58	0	0	0	117.1
1168	E	25.6	Very low	26.3	Very low	142 Å²	142	146.6 Å²	146.6	66%	0.664	75%	0.746	S	S	*	*			cis	-171.2	165.8	41.7	-129.9	-174.3	-146.4	0	0	113.3
1169	N	24.8	Very low	26.6	Very low	115 Å²	115	146.8 Å²	146.8	62%	0.615	74%	0.742	S	S	*	*			trans	30.9	128.9	149.9	-57.5	-36.7	0	0	0	121.2
1170	F	24.4	Very low	26.2	Very low	173 Å²	173	148.5 Å²	148.5	76%	0.759	75%	0.745	S	S	*	*				-166.2	160.4	68.3	-115.2	-93.7	0	0	0	114.2
1171	Q	23.7	Very low	26.2	Very low	159 Å²	159	146.9 Å²	146.9	74%	0.743	74%	0.74	S	S	*	*			trans	3.7	132.4	161.5	-63.8	168.5	-2.9	0	0	119.5
1172	T	27.6	Very low	26.4	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	74%	0.738	S	S	*	*				-166	171.4	67.8	33.1	0	0	0	0	113.2
1173	Q	26.4	Very low	26.6	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	73%	0.734	S	S	*	*			trans	-84.7	-176.8	166.4	-48.4	-178.8	-28.2	0	0	110.8
1174	P	33.3	Very low	26.5	Very low	98 Å²	98	145.1 Å²	145.1	64%	0.636	74%	0.741	S	S	*	*			cis	-132.2	-157.1	-6.2	36.9	-15.3	0	0	0	112.5
1175	I	23.6	Very low	26.7	Very low	146 Å²	146	142.6 Å²	142.6	75%	0.749	74%	0.735	S	S	*	*			trans	71.2	139.9	154	-75.2	172.6	0	0	0	115.5
1176	T	24.9	Very low	26.8	Very low	102 Å²	102	146.7 Å²	146.7	63%	0.626	73%	0.734	S	S	*	*			cis	-162.8	149	-11.3	28.2	0	0	0	0	110.7
1177	T	24.1	Very low	26.8	Very low	111 Å²	111	143.5 Å²	143.5	68%	0.681	73%	0.727	S	S	*	*			trans	56.9	176.9	140.4	64.3	0	0	0	0	122
1178	T	25.2	Very low	26.8	Very low	103 Å²	103	136.6 Å²	136.6	63%	0.632	72%	0.718	S	S	*	*			trans	58	127.2	140.6	49.8	0	0	0	0	119.5
1179	D	33.7	Very low	26.6	Very low	123 Å²	123	136.4 Å²	136.4	66%	0.658	72%	0.721	S	S	*	*			cis	-151.8	154.9	-0.7	-78.8	-44.7	0	0	0	109.3
1180	N	25.3	Very low	26.6	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	73%	0.725	S	S	*	*			cis	80.9	51.7	7.6	-153.7	38.7	0	0	0	119.2
1181	H	29.5	Very low	26.7	Very low	153 Å²	153	135.5 Å²	135.5	71%	0.708	72%	0.723	S	S	*	*			trans	-158.7	145.5	158.8	-88.2	-24.1	0	0	0	108.7
1182	Q	31.4	Very low	26.8	Very low	156 Å²	156	134.1 Å²	134.1	73%	0.729	72%	0.721	S	S	*	*	S	Bend	cis	-155.9	149.7	5	-104.2	152.3	30.3	0	0	106.8
1183	T	31.5	Very low	26.8	Very low	130 Å²	130	136.6 Å²	136.6	80%	0.798	72%	0.72	S	S	*	*			cis	-143.9	122.2	10.5	25.3	0	0	0	0	112.9
1184	F	24.5	Very low	26.6	Very low	186 Å²	186	131.9 Å²	131.9	82%	0.816	71%	0.712	S	S	*	*			trans	-74.2	173.3	130.2	-91.2	-88	0	0	0	107.9
1185	P	30	Very low	26.2	Very low	100 Å²	100	133 Å²	133	65%	0.649	72%	0.717	S	S	*	*			cis	-138.3	-162.4	29.4	34.3	-7.8	0	0	0	112.5	T1187	P1185-T1187 HydrophobicContact CB-CG2 4.45Å
1186	R	26.8	Very low	26.3	Very low	224 Å²	224	133.6 Å²	133.6	85%	0.845	72%	0.721	S	S	*	*			cis	-134.7	141.1	11	-67.2	174.2	171.3	145.5	-3	108.9
1187	T	23.3	Very low	26.4	Very low	108 Å²	108	135.6 Å²	135.6	66%	0.663	72%	0.723	S	S	*	*			cis	74.9	138.9	37	73.5	0	0	0	0	116.2	P1185	P1185-T1187 HydrophobicContact CB-CG2 4.45Å
1188	A	22.9	Very low	26.5	Very low	79 Å²	79	137.2 Å²	137.2	65%	0.653	72%	0.723	S	S	*	*			trans	91.7	108.2	156.2	0	0	0	0	0	118.7
1189	D	22.6	Very low	26.9	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	73%	0.726	S	S	*	*				85.7	132.7	111.4	-68.1	-0.9	0	0	0	123.8
1190	I	24.5	Very low	26.7	Very low	136 Å²	136	136.6 Å²	136.6	70%	0.697	73%	0.725	S	S	*	*			trans	79.2	137.4	133.4	-72.8	168.5	0	0	0	119
1191	N	25.3	Very low	26.9	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	72%	0.716	S	S	*	*			trans	68.8	125.2	166.6	-67.1	-20.8	0	0	0	119.7
1192	N	25.5	Very low	26.7	Very low	130 Å²	130	138.1 Å²	138.1	70%	0.695	72%	0.72	S	S	*	*			trans	64.5	145.9	148.7	-49.5	-20.7	0	0	0	116.4
1193	F	28.7	Very low	26.5	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.833	72%	0.72	S	S	*	*			cis	-143	147.2	31.4	-96.1	-92.2	0	0	0	112.9
1194	A	22.7	Very low	26.3	Very low	81 Å²	81	139.3 Å²	139.3	67%	0.669	72%	0.719	S	S	*	*			trans	-92.1	131.8	161.1	0	0	0	0	0	110.6
1195	T	23.3	Very low	26.5	Very low	121 Å²	121	138.3 Å²	138.3	74%	0.742	72%	0.717	S	S	*	*			trans	36.3	119.2	142.5	59.3	0	0	0	0	121.1
1196	L	27.6	Very low	26.4	Very low	158 Å²	158	138.1 Å²	138.1	83%	0.827	72%	0.718	S	S	*	*				-141.9	119	124.4	-86.4	128.1	0	0	0	105.9
1197	Q	26.2	Very low	26.4	Very low	145 Å²	145	136 Å²	136	68%	0.678	72%	0.718	S	S	*	*				66.4	137.4	68.2	-69.5	-166.5	-22.6	0	0	112.8
1198	H	26.6	Very low	26.6	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.667	73%	0.727	S	S	*	*			cis	-161.1	-166.8	-10.4	-124	-33.6	0	0	0	107.2
1199	P	33	Very low	27.2	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	73%	0.73	S	S	*	*	S	Bend	cis	-123.4	179.2	17.2	12.2	16.3	0	0	0	114.3
1200	T	29.8	Very low	27.2	Very low	104 Å²	104	139.5 Å²	139.5	64%	0.638	73%	0.734	S	S	*	*			cis	-149.9	138	0.2	4.6	0	0	0	0	110.8
1201	Q	28.5	Very low	27.4	Very low	124 Å²	124	139.8 Å²	139.8	58%	0.579	73%	0.732	S	S	*	*			trans	59.9	136.7	146.1	-57.2	173.9	-60.6	0	0	120.6
1202	W	26.6	Very low	27.5	Very low	205 Å²	205	142.8 Å²	142.8	78%	0.777	73%	0.734	S	S	*	*			cis	-156.9	128.1	-13.5	-97	-25.4	0	0	0	108.8
1203	I	27.6	Very low	27.7	Very low	142 Å²	142	146.1 Å²	146.1	73%	0.728	74%	0.742	S	S	*	*				62.3	121.1	98.4	-59.2	178.5	0	0	0	114.6
1204	Q	27	Very low	27.6	Very low	169 Å²	169	142.8 Å²	142.8	79%	0.79	74%	0.741	S	S	*	*			cis	97.5	152.1	2.7	-140.5	-154.5	33.8	0	0	119.8
1205	Q	27.7	Very low	27.8	Very low	164 Å²	164	149.8 Å²	149.8	77%	0.766	75%	0.75	S	S	*	*			trans	100.3	152.5	166.2	-59.1	-170.3	-5.2	0	0	117.6
1206	S	27.5	Very low	27.9	Very low	97 Å²	97	151.4 Å²	151.4	68%	0.678	75%	0.754	S	S	*	*			cis	-157.4	134.6	4.7	38.5	0	0	0	0	110.9
1207	Q	27.5	Very low	27.9	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	76%	0.756	S	S	*	*				83.3	149.9	79.4	-69.1	-170.1	-25.9	0	0	119.4
1208	I	28.4	Very low	27.6	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	77%	0.766	S	S	*	*			trans	123.8	142.8	155	-66.4	173.9	0	0	0	116.7
1209	P	34	Very low	27.4	Very low	109 Å²	109	150.5 Å²	150.5	71%	0.708	77%	0.77	S	S	*	*			trans	-137.1	-166.8	-149.9	44.4	-25.5	0	0	0	119.7
1210	C	23.7	Very low	27.1	Very low	122 Å²	122	153 Å²	153	82%	0.824	78%	0.777	S	S	*	*			trans	92.6	159.8	166.1	-64.2	0	0	0	0	118
1211	E	27.8	Very low	26.9	Very low	143 Å²	143	155.1 Å²	155.1	67%	0.668	78%	0.784	S	S	*	*			cis	-141.8	-122.9	10.4	-152.3	-149.2	-133.9	0	0	116.5
1212	R	28.2	Very low	26.8	Very low	194 Å²	194	158.3 Å²	158.3	73%	0.732	80%	0.799	S	S	*	*			trans	-95.1	137.9	-164.3	-66.3	166.1	-177.3	113.7	-7.6	117.6
1213	K	28.8	Very low	26.8	Very low	201 Å²	201	154.4 Å²	154.4	87%	0.874	80%	0.798	S	S	*	*				170.1	145.8	105	-99.7	-174.6	178.6	175.7	0	113.9
1214	C	27.7	Very low	26.6	Very low	120 Å²	120	155 Å²	155	81%	0.811	80%	0.802	S	S	*	*			trans	-93.2	166.3	173.3	-49	0	0	0	0	110.9
1215	R	26.9	Very low	26.5	Very low	227 Å²	227	155.2 Å²	155.2	86%	0.857	80%	0.8	S	S	*	*			cis	-156.9	175.6	3.4	-143.1	175.9	-167.5	175.2	2.5	108.7
1216	N	25.9	Very low	26.2	Very low	155 Å²	155	152.9 Å²	152.9	83%	0.829	80%	0.797	S	S	*	*			trans	73.7	86.2	175.1	-52.7	-0.5	0	0	0	114.2
1217	S	26.4	Very low	26	Very low	125 Å²	125	158.9 Å²	158.9	87%	0.874	81%	0.806	S	S	*	*			trans	-115.6	141.1	-174.9	51.4	0	0	0	0	112.8
1218	M	20.7	Very low	25.6	Very low	180 Å²	180	161.6 Å²	161.6	89%	0.887	81%	0.809	S	S	*	*			trans	-139.7	155	168.4	-167.7	177.5	-177.8	0	0	107.8
1219	V	22.2	Very low	25.7	Very low	124 Å²	124	158.4 Å²	158.4	75%	0.752	80%	0.8	S	S	*	*			trans	75.8	104.4	176.3	-171.4	0	0	0	0	116.3
1220	L	25.7	Very low	25.1	Very low	162 Å²	162	160 Å²	160	85%	0.848	80%	0.801	S	S	*	*				-170.8	166.4	114.8	-111.5	153.8	0	0	0	111.5
1221	D	25.6	Very low	25	Very low	147 Å²	147	160.9 Å²	160.9	79%	0.786	80%	0.796	S	S	*	*			trans	-77.2	150.6	-169.4	-68.6	-77.9	0	0	0	115.7
1222	E	27.4	Very low	24.9	Very low	192 Å²	192	161.2 Å²	161.2	90%	0.897	80%	0.802	S	S	*	*			trans	-130.2	148.4	158.8	-73.4	-167.5	149.2	0	0	110.2
1223	T	25.7	Very low	24.7	Very low	123 Å²	123	156.6 Å²	156.6	76%	0.755	80%	0.8	S	S	*	*			trans	-139.6	127.7	175.6	47.4	0	0	0	0	112.8
1224	L	24.5	Very low	24.5	Very low	155 Å²	155	154 Å²	154	81%	0.812	80%	0.795	S	S	*	*			trans	68.4	142.2	162.9	-56.8	163.4	0	0	0	115.3
1225	K	24.7	Very low	24.5	Very low	173 Å²	173	155.1 Å²	155.1	75%	0.752	79%	0.793	S	S	*	*			cis	-161.4	145.7	19.7	-134.7	163.9	-172.7	177.3	0	112.2
1226	T	21.4	Very low	24.3	Very low	114 Å²	114	148.4 Å²	148.4	70%	0.699	79%	0.786	S	S	*	*			trans	53.6	124.6	151.4	48.1	0	0	0	0	122.5
1227	Y	22.5	Very low	24.3	Very low	223 Å²	223	150.7 Å²	150.7	88%	0.875	79%	0.789	S	S	*	*				-163	-178.3	110.8	-108.3	-70.9	0	0	0	111.6
1228	W	19.2	Very low	24.3	Very low	237 Å²	237	150.2 Å²	150.2	90%	0.898	78%	0.78	S	S	*	*			trans	-97.4	-158.4	-168.9	-69.4	18.2	0	0	0	113.5
1229	P	29.8	Very low	24.4	Very low	101 Å²	101	146.3 Å²	146.3	66%	0.656	77%	0.767	S	S	*	*				-128.6	-162.8	-90.9	40.7	-22	0	0	0	114.9
1230	I	22.2	Very low	24.5	Very low	143 Å²	143	148.7 Å²	148.7	73%	0.733	77%	0.767	S	S	*	*			trans	96.1	105.6	155.6	-70.6	163	0	0	0	120.6
1231	I	22.8	Very low	24.5	Very low	140 Å²	140	147.7 Å²	147.7	72%	0.718	76%	0.76	S	S	*	*				68.1	122.8	129.8	-58.9	-178.7	0	0	0	123.3
1232	N	24.1	Very low	24.6	Very low	149 Å²	149	148.6 Å²	148.6	80%	0.797	76%	0.757	S	S	*	*			trans	90.5	134.8	146.1	-79.9	1.9	0	0	0	126.8
1233	S	25.2	Very low	24.6	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	74%	0.741	S	S	*	*			trans	74.6	104.2	140.7	62.6	0	0	0	0	124.1
1234	N	24.8	Very low	24.8	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	74%	0.739	S	S	*	*				80.3	138.4	124.4	-64.8	21.6	0	0	0	124.7
1235	D	26.4	Very low	25	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	73%	0.726	S	S	*	*			trans	73.8	77.1	145.9	-62.6	-32.3	0	0	0	124.4
1236	A	24.2	Very low	25.3	Very low	86 Å²	86	143 Å²	143	71%	0.711	73%	0.727	S	S	*	*				65.7	155.4	106.4	0	0	0	0	0	124.6
1237	K	25.1	Very low	25.7	Very low	202 Å²	202	140.8 Å²	140.8	88%	0.878	73%	0.727	S	S	*	*			trans	78.8	144.7	162	-71.7	179.3	-177.5	172.7	0	117.5
1238	V	25.9	Very low	26.1	Very low	115 Å²	115	136.5 Å²	136.5	70%	0.697	72%	0.719	S	S	*	*			cis	-159.5	135.3	-4.4	95.8	0	0	0	0	115.3
1239	T	23.8	Very low	26.4	Very low	98 Å²	98	131.4 Å²	131.4	60%	0.601	71%	0.708	S	S	*	*			trans	29.3	160.2	145.8	57.1	0	0	0	0	127.2
1240	F	23.8	Very low	26.1	Very low	174 Å²	174	136.8 Å²	136.8	76%	0.763	72%	0.721	S	S	*	*			trans	107.5	142	150.5	-69	-57	0	0	0	119.1
1241	M	24.8	Very low	26.4	Very low	142 Å²	142	139 Å²	139	70%	0.7	73%	0.728	S	S	*	*			cis	-170.5	172.3	-12.9	-151.7	-177.2	-164.4	0	0	113.8
1242	K	27.6	Very low	26.5	Very low	165 Å²	165	136.2 Å²	136.2	72%	0.717	73%	0.733	S	S	*	*			trans	80.2	156.1	153.6	-75.6	-179.4	178.7	171	0	119.2
1243	N	27.3	Very low	26.4	Very low	105 Å²	105	134.6 Å²	134.6	56%	0.561	73%	0.734	S	S	*	*			cis	-152.7	168.3	5.5	-123.3	-0.3	0	0	0	109.7
1244	H	31.6	Very low	26.8	Very low	153 Å²	153	135 Å²	135	71%	0.708	73%	0.734	S	S	*	*			cis	-174.7	-162.4	45.8	-106.2	-39.2	0	0	0	109.4
1245	N	28.5	Very low	26.7	Very low	101 Å²	101	135.8 Å²	135.8	54%	0.54	74%	0.737	S	S	.	*				-162.7	133.3	-67.7	-103.5	45.9	0	0	0	113.3
1246	H	29.7	Very low	26.4	Very low	166 Å²	166	136.1 Å²	136.1	77%	0.769	74%	0.738	S	S	*	*			trans	64.1	160.6	156.1	-60	-62.4	0	0	0	121.9
1247	G	29.8	Very low	26.7	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	73%	0.732	S	S	*	*			cis	-164.1	-154.4	7	0	0	0	0	0	110.9
1248	N	30.7	Very low	26.6	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	72%	0.724	S	S	*	*			cis	-178.6	165.8	-15.4	-88.2	-5.3	0	0	0	107.2
1249	I	26	Very low	26.6	Very low	131 Å²	131	135.3 Å²	135.3	67%	0.672	72%	0.72	S	S	*	*			cis	-166.1	142.2	-19.9	-96.2	164.9	0	0	0	108
1250	K	24.4	Very low	26.6	Very low	213 Å²	213	138.7 Å²	138.7	93%	0.926	73%	0.727	S	S	*	*			trans	-163.2	156.7	153.7	-121.9	-177.9	-175.9	-177.3	0	111.9
1251	H	28	Very low	27	Very low	191 Å²	191	133.4 Å²	133.4	88%	0.884	71%	0.707	S	S	*	*			trans	-115.4	154.5	-165.6	-79.2	-96.8	0	0	0	115.7
1252	G	25	Very low	27.1	Very low	80 Å²	80	136.1 Å²	136.1	83%	0.825	71%	0.71	S	S	*	*			trans	179.8	145.4	164.3	0	0	0	0	0	113
1253	S	21.4	Very low	27.1	Very low	116 Å²	116	133 Å²	133	81%	0.811	70%	0.701	S	S	*	*			trans	-132	175.2	170.3	64.2	0	0	0	0	108.1
1254	P	33	Very low	26.9	Very low	105 Å²	105	133.7 Å²	133.7	68%	0.682	70%	0.704	S	S	*	*			cis	-133.1	-160.2	-0.6	41.9	-23.2	0	0	0	113.2
1255	L	23	Very low	26.5	Very low	163 Å²	163	134.2 Å²	134.2	85%	0.853	70%	0.704	S	S	*	*			trans	69.6	159.5	152	-75.5	171.9	0	0	0	121.7
1256	L	21.7	Very low	26.2	Very low	151 Å²	151	136.6 Å²	136.6	79%	0.791	71%	0.712	S	S	*	*			trans	-55.5	175.3	152.5	-102.6	74.5	0	0	0	112.3
1257	P	30.1	Very low	26	Very low	90 Å²	90	133.3 Å²	133.3	58%	0.584	71%	0.714	S	S	*	*			cis	-145.5	-169.8	-20.3	34.8	-12.2	0	0	0	115
1258	I	22.7	Very low	25.7	Very low	136 Å²	136	139.1 Å²	139.1	70%	0.697	72%	0.72	S	S	*	*			trans	67.4	129.3	134	-82.2	161.8	0	0	0	121.5
1259	Y	24.7	Very low	25.5	Very low	160 Å²	160	139.7 Å²	139.7	63%	0.627	72%	0.718	S	S	*	*			trans	34.3	141.9	140.6	-66.8	-125.5	0	0	0	121	L1264	Y1259-L1264 HydrophobicContact CE1-CD1 4.29Å
1260	K	25.3	Very low	25.4	Very low	170 Å²	170	141.4 Å²	141.4	74%	0.739	72%	0.723	S	S	*	*				-174.5	161.4	96.6	-97.7	-166.7	162.4	-141	0	111.5
1261	D	31	Very low	25.4	Very low	63 Å²	63	135.9 Å²	135.9	34%	0.337	71%	0.711	S	S	.	*	S	Bend	cis	-150.2	162.6	-11.1	-128	-5	0	0	0	106.1	L1263	D1261-L1263 WeakPolarHBondContact OD1-CD1 3.45Å; D1261-L1263 VanDerWaalsContact OD1-CG 3.32Å; D1261-L1263 WeakPolarHBondContact OD1-CG 3.37Å
1262	Y	27.4	Very low	25.4	Very low	198 Å²	198	133.5 Å²	133.5	78%	0.776	70%	0.704	S	S	*	*			cis	-118.1	148.7	8.5	-78.9	-101.5	0	0	0	108.5
1263	L	27.1	Very low	25.4	Very low	99 Å²	99	137.4 Å²	137.4	52%	0.518	71%	0.705	S	S	.	*				73.4	116.5	58.4	-62.1	166.5	0	0	0	113.4	D1261	D1261-L1263 WeakPolarHBondContact OD1-CD1 3.45Å; D1261-L1263 VanDerWaalsContact OD1-CG 3.32Å; D1261-L1263 WeakPolarHBondContact OD1-CG 3.37Å
1264	L	22.8	Very low	25.7	Very low	121 Å²	121	135.1 Å²	135.1	63%	0.634	70%	0.7	S	S	*	*			cis	85.5	129.8	32.2	-75.4	163.2	0	0	0	117.5	Y1259	Y1259-L1264 HydrophobicContact CE1-CD1 4.29Å
1265	K	23.1	Very low	25.5	Very low	163 Å²	163	136 Å²	136	71%	0.709	70%	0.704	S	S	*	*			trans	94.8	116.9	139.8	-85.5	-176.1	166.4	-156.2	0	123.2
1266	Q	23.5	Very low	25.8	Very low	151 Å²	151	135.8 Å²	135.8	71%	0.706	70%	0.703	S	S	*	*				67.7	97.3	122.4	-69.8	175.1	-41.5	0	0	121.2
1267	A	25.5	Very low	26.2	Very low	97 Å²	97	132.8 Å²	132.8	80%	0.802	70%	0.695	S	S	*	*				46.3	119.5	114.5	0	0	0	0	0	121.1
1268	K	23.2	Very low	26.2	Very low	190 Å²	190	136 Å²	136	83%	0.826	71%	0.707	S	S	*	*				-169.8	151.3	128.2	-106.9	176.7	-179.5	-177.7	0	111.9
1269	H	26.7	Very low	26.6	Very low	145 Å²	145	132.2 Å²	132.2	67%	0.671	70%	0.702	S	S	*	*			trans	40.6	139.1	157.3	-70.3	-84.7	0	0	0	122.9
1270	Q	24	Very low	26.8	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	72%	0.718	S	S	*	*				11.7	137.1	127.8	-67.2	154.3	-43.3	0	0	117.6
1271	S	24.2	Very low	27	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	72%	0.721	S	S	*	*			cis	-174.6	-173.6	10.8	45.3	0	0	0	0	112
1272	I	27	Very low	26.8	Very low	141 Å²	141	135.6 Å²	135.6	72%	0.723	74%	0.744	S	S	*	*			trans	88.2	116.4	160.8	-59.6	162.6	0	0	0	117.4
1273	N	27.1	Very low	26.8	Very low	161 Å²	161	132.4 Å²	132.4	86%	0.861	74%	0.741	S	S	*	*			trans	59.7	142.5	164.5	-55.1	-11.5	0	0	0	116.4
1274	G	26.5	Very low	26.6	Very low	68 Å²	68	134.8 Å²	134.8	70%	0.701	75%	0.75	S	S	*	*			cis	114.4	133.1	29.1	0	0	0	0	0	107.8
1275	T	29	Very low	26.7	Very low	124 Å²	124	138.1 Å²	138.1	76%	0.761	76%	0.759	S	S	*	*			cis	-166.4	148	19.9	45	0	0	0	0	111.9
1276	L	29.1	Very low	26.8	Very low	158 Å²	158	134 Å²	134	83%	0.827	76%	0.763	S	S	*	*			trans	61.7	157.4	161.8	-83.5	80.5	0	0	0	117
1277	S	30	Very low	27	Very low	89 Å²	89	132.2 Å²	132.2	62%	0.622	77%	0.767	S	S	*	*			cis	179.4	154.8	-19.8	53.5	0	0	0	0	107.9
1278	D	30.7	Very low	26.9	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	76%	0.764	S	S	*	*			cis	-170.1	167.7	-19.5	-105.8	-72	0	0	0	106
1279	G	29.9	Very low	26.9	Very low	57 Å²	57	132.7 Å²	132.7	59%	0.588	77%	0.765	S	S	*	*			cis	172.3	176.3	-0.8	0	0	0	0	0	111.1
1280	Q	29.5	Very low	27	Very low	207 Å²	207	129.1 Å²	129.1	97%	0.967	77%	0.767	S	S	*	*			trans	56.2	138.7	164.9	-59.8	-179.4	-6.1	0	0	119.8
1281	G	29.7	Very low	27.1	Very low	78 Å²	78	129 Å²	129	80%	0.804	77%	0.77	S	S	*	*			cis	-156.3	138.9	3	0	0	0	0	0	114
1282	E	26.3	Very low	27	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	78%	0.778	S	S	*	*			trans	-83.6	171.7	176.3	-77.3	-171	169.4	0	0	112.2
1283	N	28.5	Very low	26.8	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	78%	0.784	S	S	*	*			cis	-152.2	173	1.8	-133.9	-37.1	0	0	0	112
1284	Q	22.6	Very low	26.7	Very low	150 Å²	150	135 Å²	135	70%	0.701	78%	0.781	S	S	*	*			trans	-146.1	147.3	171.2	-146.2	-178.4	27.1	0	0	112.8
1285	F	24.4	Very low	26.8	Very low	191 Å²	191	138.2 Å²	138.2	84%	0.838	78%	0.781	S	S	*	*			trans	75.9	150.9	166	-71.3	-69.3	0	0	0	121.9
1286	G	25.6	Very low	26.7	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	78%	0.783	S	S	*	*			trans	122.7	120.8	178.1	0	0	0	0	0	111.7
1287	S	27.4	Very low	26.4	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	78%	0.784	S	S	*	*			cis	-158.4	172	-1.1	-178.4	0	0	0	0	111.1
1288	L	23.9	Very low	26.2	Very low	140 Å²	140	136.9 Å²	136.9	73%	0.733	79%	0.789	S	S	*	*			trans	-54.8	166.4	162.2	-55.9	74.8	0	0	0	111.6
1289	D	24	Very low	26	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	79%	0.79	S	S	*	*			cis	-157.2	166.4	19.2	-125.5	-31.9	0	0	0	110.8
1290	G	27.2	Very low	25.7	Very low	70 Å²	70	144.6 Å²	144.6	72%	0.722	81%	0.805	S	S	*	*			trans	-171	141.5	175.8	0	0	0	0	0	116.4
1291	I	26.3	Very low	25.5	Very low	163 Å²	163	144.5 Å²	144.5	84%	0.836	80%	0.802	S	S	*	*			trans	-114.3	153.5	-171.1	-70.9	174.5	0	0	0	112.4
1292	F	22.9	Very low	25.4	Very low	195 Å²	195	148.9 Å²	148.9	86%	0.855	81%	0.807	S	S	*	*			trans	-30.7	124.5	169.5	-70.4	-99.4	0	0	0	116.3
1293	Q	23.1	Very low	25.4	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	80%	0.803	S	S	*	*				169.4	131.9	104.1	-93.2	-169.1	-47.1	0	0	110.9
1294	D	25.1	Very low	25.5	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	80%	0.803	S	S	*	*			trans	168.9	152.7	146.8	-94.5	-10	0	0	0	108.9
1295	I	28.7	Very low	25.8	Very low	135 Å²	135	141.8 Å²	141.8	69%	0.692	81%	0.808	S	S	*	*			cis	-141.6	146.1	-2.4	-131.2	154.5	0	0	0	109.9
1296	T	25	Very low	26	Very low	132 Å²	132	141 Å²	141	81%	0.81	81%	0.805	S	S	*	*			trans	-78.1	133.2	165.4	43.8	0	0	0	0	110.3	G1298	T1296-G1298 PolarHBondContact O-N 3.34Å
1297	V	24.6	Very low	26.1	Very low	140 Å²	140	144.6 Å²	144.6	85%	0.848	81%	0.805	S	S	*	*			trans	-64.1	118.8	172.1	178.6	0	0	0	0	109.7
1298	G	26	Very low	26.2	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	80%	0.796	S	S	*	*			trans	-135.8	116.4	166.7	0	0	0	0	0	108.8	T1296	T1296-G1298 PolarHBondContact O-N 3.34Å
1299	E	24.9	Very low	26.4	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	80%	0.799	S	S	*	*			trans	-76.6	130.2	179.8	-61.9	-176.3	125.9	0	0	111.3
1300	Q	25.3	Very low	26.7	Very low	192 Å²	192	144.9 Å²	144.9	90%	0.897	80%	0.796	S	S	*	*			trans	-154.9	110.6	143.8	-119.5	173.6	30	0	0	112.3
1301	F	23.5	Very low	26.8	Very low	206 Å²	206	147 Å²	147	90%	0.904	79%	0.791	S	S	*	*			trans	-82.7	126.4	166	-98.9	-92.5	0	0	0	110.4
1302	N	27.4	Very low	27	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	79%	0.788	S	S	*	*			trans	175.5	134.9	152.9	-91	-43.2	0	0	0	106.4
1303	G	28.1	Very low	27.2	Very low	73 Å²	73	144.2 Å²	144.2	75%	0.753	78%	0.78	S	S	*	*			cis	159.9	158.9	4.2	0	0	0	0	0	107
1304	A	28.8	Very low	27.4	Very low	84 Å²	84	142 Å²	142	69%	0.694	77%	0.774	S	S	*	*			cis	-165.6	-175.6	1.7	0	0	0	0	0	109.7
1305	N	29	Very low	27.4	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	77%	0.766	S	S	*	*			trans	79.3	142.5	162.3	-61.8	-49.7	0	0	0	117.4
1306	K	28.6	Very low	27.4	Very low	176 Å²	176	139.8 Å²	139.8	77%	0.765	77%	0.767	S	S	*	*			cis	-159.3	154	15.3	-135.4	-179.9	-178.1	-180	0	113
1307	L	29	Very low	27.5	Very low	151 Å²	151	139 Å²	139	79%	0.791	76%	0.758	S	S	*	*			trans	66.4	146.5	169.2	-82.6	69.3	0	0	0	117.5
1308	S	28.5	Very low	27.7	Very low	86 Å²	86	140.1 Å²	140.1	60%	0.601	75%	0.754	S	S	*	*			cis	-166.7	138.6	-14	50.5	0	0	0	0	115.5
1309	N	28.1	Very low	27.7	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	75%	0.75	S	S	*	*			trans	70.1	146.5	141.8	-64.7	3.6	0	0	0	122.9
1310	K	30.4	Very low	27.7	Very low	180 Å²	180	137 Å²	137	78%	0.783	74%	0.741	S	S	*	*			trans	79.9	140.6	165.8	-56.1	-155.9	163.8	-158.9	0	118.4
1311	D	29.7	Very low	27.6	Very low	115 Å²	115	132.5 Å²	132.5	62%	0.615	73%	0.731	S	S	*	*			cis	-169	148.3	-22.1	-99.5	-25	0	0	0	107.5
1312	I	30.9	Very low	27.7	Very low	149 Å²	149	129.7 Å²	129.7	76%	0.764	72%	0.724	S	S	*	*			trans	66.1	147.9	155.4	-65.2	164.1	0	0	0	116.9
1313	Q	27.7	Very low	27.6	Very low	149 Å²	149	131.7 Å²	131.7	70%	0.696	72%	0.72	S	S	*	*			cis	-168.3	153.4	-36.3	-108.8	178.2	-39	0	0	106.8
1314	L	26.5	Very low	27.4	Very low	135 Å²	135	132.4 Å²	132.4	71%	0.707	71%	0.713	S	S	*	*			trans	43.6	140.5	139.5	-52.1	170.4	0	0	0	120.2
1315	T	25.7	Very low	27.4	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	72%	0.721	S	S	*	*			cis	-172.4	160.3	9.7	6.7	0	0	0	0	111.8
1316	N	27.7	Very low	27.3	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	72%	0.717	S	S	*	*			trans	71.3	141.6	156.4	-59.6	12.2	0	0	0	119
1317	D	27.8	Very low	27.2	Very low	116 Å²	116	134.8 Å²	134.8	62%	0.62	72%	0.715	S	S	*	*			cis	-157.9	170.3	-17.9	-118.9	-45.3	0	0	0	114.1
1318	Q	28	Very low	27.2	Very low	164 Å²	164	132.5 Å²	132.5	77%	0.766	71%	0.712	S	S	*	*			trans	-34.9	173.3	171.2	-69.1	163.1	63.2	0	0	120.8
1319	S	25.6	Very low	27.1	Very low	91 Å²	91	135.8 Å²	135.8	64%	0.636	72%	0.723	S	S	*	*			cis	-175.5	150.6	-35.1	63	0	0	0	0	112.1
1320	S	24.7	Very low	27.1	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	72%	0.717	S	S	*	*			trans	16.2	111.2	151.3	58.6	0	0	0	0	123.9
1321	S	24.4	Very low	27	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	72%	0.719	S	S	*	*				55.8	118.8	120.4	68.5	0	0	0	0	125.5
1322	I	24.2	Very low	26.9	Very low	148 Å²	148	131.1 Å²	131.1	76%	0.759	72%	0.723	S	S	*	*			trans	80.6	139.6	130.8	-57.8	166.1	0	0	0	120.6
1323	Y	25.9	Very low	26.7	Very low	212 Å²	212	129.9 Å²	129.9	83%	0.831	72%	0.718	S	S	*	*			trans	62.6	147.2	178.7	-74.1	-75.2	0	0	0	115.9
1324	S	23.9	Very low	26.7	Very low	87 Å²	87	129.9 Å²	129.9	61%	0.608	72%	0.718	S	S	*	*			cis	-174	168.6	-29.8	48.5	0	0	0	0	111.4
1325	H	27.9	Very low	26.8	Very low	183 Å²	183	130.1 Å²	130.1	85%	0.847	72%	0.719	S	S	*	*			trans	77.8	111	166.8	-81.5	-81.3	0	0	0	120
1326	I	28	Very low	26.7	Very low	142 Å²	142	129.4 Å²	129.4	73%	0.728	72%	0.718	S	S	*	*			trans	-58.7	144	146.6	-83.1	165.1	0	0	0	109.5
1327	D	26	Very low	26.6	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	72%	0.72	S	S	*	*			cis	-161.4	-177	2.4	-115.4	-0.7	0	0	0	113
1328	S	29.6	Very low	26.7	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	73%	0.73	S	S	*	*			trans	95.1	93.8	159.1	68.7	0	0	0	0	120.7
1329	D	25.8	Very low	26.6	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	73%	0.73	S	S	*	*			trans	34.4	122	131.2	-54.6	-20.4	0	0	0	119.6
1330	S	27.9	Very low	26.7	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	74%	0.735	S	S	*	*				174.3	136.5	57.8	36.2	0	0	0	0	113.5
1331	T	28.8	Very low	26.8	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	74%	0.738	S	S	*	*			trans	61.7	151.2	150.2	60.8	0	0	0	0	120.6
1332	V	27.1	Very low	26.9	Very low	115 Å²	115	143 Å²	143	70%	0.697	74%	0.74	S	S	*	*			cis	-166.4	144.6	-16.9	126.5	0	0	0	0	108.6
1333	N	27.8	Very low	27.2	Very low	123 Å²	123	143.2 Å²	143.2	66%	0.658	74%	0.735	S	S	*	*			trans	64.1	156.2	163.2	-71.3	14.7	0	0	0	119.4
1334	E	28.3	Very low	27.1	Very low	150 Å²	150	139.8 Å²	139.8	70%	0.701	73%	0.731	S	S	*	*			cis	-162.6	165.2	-4.1	-118.8	168.4	-166.7	0	0	114.4
1335	L	27	Very low	27.3	Very low	139 Å²	139	139.9 Å²	139.9	73%	0.728	73%	0.732	S	S	*	*			trans	59.8	88.1	145.6	-68.3	162.6	0	0	0	124.9
1336	S	24.2	Very low	27.3	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	73%	0.726	S	S	*	*				44.2	150.7	111.3	73.5	0	0	0	0	126.9
1337	Q	26.7	Very low	27.4	Very low	161 Å²	161	138.1 Å²	138.1	75%	0.752	73%	0.734	S	S	*	*			trans	83.6	135.8	159.9	-49.6	-178.1	-5.7	0	0	117.5
1338	F	28.6	Very low	27.4	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.833	74%	0.735	S	S	*	*				-164.4	-174.3	51.8	-122.3	-77.2	0	0	0	113.9
1339	H	26.9	Very low	27.7	Very low	166 Å²	166	137.1 Å²	137.1	77%	0.769	74%	0.735	S	S	*	*			trans	-114.9	140.1	-172.5	-111.5	-99	0	0	0	116
1340	L	26.4	Very low	27.9	Very low	140 Å²	140	135.2 Å²	135.2	73%	0.733	73%	0.729	S	S	*	*			trans	25.6	129.1	142.6	-92.2	161.1	0	0	0	122.9
1341	N	28	Very low	28	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	73%	0.732	S	S	*	*			trans	140.5	160.9	140	-80.8	-66.1	0	0	0	112.4
1342	R	26.7	Very low	28	Very low	191 Å²	191	137.5 Å²	137.5	72%	0.721	73%	0.732	S	S	*	*			cis	-177.4	166.4	-32	-171.6	170.1	179.4	-178.9	2.5	109.1
1343	F	28.9	Very low	28.2	Very low	152 Å²	152	135.5 Å²	135.5	67%	0.667	72%	0.723	S	S	*	*			trans	94.4	120.3	158.6	-68.1	-71	0	0	0	121.4
1344	N	25.6	Very low	28.3	Very low	139 Å²	139	135.1 Å²	135.1	74%	0.743	72%	0.721	S	S	*	*				46.6	147	115.8	-67.4	22.7	0	0	0	121.6
1345	S	27.5	Very low	28.5	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	73%	0.725	S	S	*	*			cis	-171.4	-177.1	-2	47.5	0	0	0	0	113.1
1346	T	26.8	Very low	28.8	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	73%	0.729	S	S	*	*			trans	86.7	133.6	139.8	26.7	0	0	0	0	122.4
1347	L	30.6	Very low	29.1	Very low	171 Å²	171	135 Å²	135	90%	0.895	73%	0.729	S	S	*	*			trans	82.1	135.1	148.9	-67.8	162.1	0	0	0	120.4
1348	S	25.9	Very low	29.3	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	74%	0.739	S	S	*	*			trans	-136.2	154.1	-179.2	56.3	0	0	0	0	109.7
1349	P	36.2	Very low	29.3	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	73%	0.734	S	S	*	*			trans	-132.8	153.1	159.6	38	-25	0	0	0	115.3
1350	T	29.8	Very low	29.4	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	74%	0.737	S	S	*	*			trans	56.3	114	148.5	52.4	0	0	0	0	119.7
1351	T	29.2	Very low	29.6	Very low	120 Å²	120	133 Å²	133	74%	0.736	75%	0.745	S	S	*	*				65.3	146.4	66	68.5	0	0	0	0	114.7
1352	L	29.4	Very low	29.5	Very low	159 Å²	159	132.8 Å²	132.8	83%	0.832	74%	0.742	S	S	*	*			cis	-149.8	179.3	6	-143.1	66.3	0	0	0	106.3
1353	S	30.9	Very low	29.4	Very low	73 Å²	73	130.4 Å²	130.4	51%	0.51	74%	0.743	S	S	.	*			cis	-155.6	173.2	5.2	67.9	0	0	0	0	111.9
1354	D	31.1	Very low	29.4	Very low	116 Å²	116	129.9 Å²	129.9	62%	0.62	75%	0.747	S	S	*	*			trans	63.2	161.8	146.4	-64	-35.5	0	0	0	120
1355	Y	32.6	Very low	29.6	Very low	200 Å²	200	127.9 Å²	127.9	78%	0.784	74%	0.744	S	S	*	*			cis	-133.3	158.6	-19.8	-84.5	-41.9	0	0	0	106.6
1356	S	31.8	Very low	29.6	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	75%	0.751	S	S	*	*			cis	-168.9	166.5	-20.5	59.3	0	0	0	0	106.3
1357	G	30.6	Very low	29.7	Very low	61 Å²	61	132.9 Å²	132.9	63%	0.629	75%	0.753	S	S	*	*			cis	170.4	168.8	-5.1	0	0	0	0	0	110.2
1358	I	32.1	Very low	29.6	Very low	190 Å²	190	130.6 Å²	130.6	97%	0.974	74%	0.742	S	S	*	*			trans	69.2	129	174.8	-46.5	172.5	0	0	0	114.7
1359	G	29.3	Very low	29.8	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	74%	0.738	S	S	*	*			cis	-175.5	146	-5.4	0	0	0	0	0	110.9
1360	K	27.4	Very low	29.4	Very low	187 Å²	187	132.4 Å²	132.4	81%	0.813	74%	0.737	S	S	*	*			trans	-90.2	161.5	-179.3	-66	177.3	178.7	175.1	0	111.8
1361	N	30.3	Very low	29.4	Very low	169 Å²	169	133.1 Å²	133.1	90%	0.904	74%	0.736	S	S	*	*			trans	-152.3	167.6	131.1	-107.8	-22.2	0	0	0	112.1
1362	I	26.5	Very low	29.3	Very low	132 Å²	132	133.9 Å²	133.9	68%	0.677	74%	0.736	S	S	*	*			trans	-141.6	156.9	-163.4	-45.3	177.6	0	0	0	109.7
1363	L	25.5	Very low	29.2	Very low	141 Å²	141	133.2 Å²	133.2	74%	0.738	73%	0.733	S	S	*	*			trans	95	135.8	147.2	-140.7	75.7	0	0	0	118.8
1364	N	27.5	Very low	28.9	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	74%	0.744	S	S	*	*			trans	67.2	146.1	161.5	-67.5	-17.5	0	0	0	118.8
1365	S	30	Very low	28.7	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	75%	0.749	S	S	*	*			cis	-164.7	144.7	-9.5	46	0	0	0	0	113.5
1366	L	27.8	Very low	28.5	Very low	147 Å²	147	135.5 Å²	135.5	77%	0.77	75%	0.75	S	S	*	*			trans	48.9	123.5	146.2	-70.1	164.2	0	0	0	122.3
1367	Q	28.8	Very low	28.2	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	75%	0.754	S	S	*	*			trans	68	144.6	148.2	-65.9	169.4	-42.4	0	0	117.5
1368	N	28.6	Very low	28	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	76%	0.759	S	S	*	*			cis	-151.9	149.8	9.7	-135.3	9.6	0	0	0	113.2
1369	N	29.7	Very low	27.7	Very low	125 Å²	125	144.1 Å²	144.1	67%	0.668	75%	0.745	S	S	*	*			trans	61.2	126.4	154.8	-67.4	-3.8	0	0	0	124.1
1370	N	29.3	Very low	27.5	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	75%	0.745	S	S	*	*			trans	87.3	100	136.9	-64.1	5.4	0	0	0	122.9
1371	N	28.5	Very low	27.3	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	75%	0.745	S	S	*	*				84.4	116.1	123	-68.9	10.7	0	0	0	122.9
1372	N	27.3	Very low	27	Very low	135 Å²	135	148.7 Å²	148.7	72%	0.722	74%	0.742	S	S	*	*			trans	93.8	122.7	133.3	-63.5	1	0	0	0	121.5
1373	N	26.9	Very low	26.8	Very low	145 Å²	145	148 Å²	148	78%	0.775	74%	0.74	S	S	*	*			trans	92.6	125.8	136.3	-80.4	5.2	0	0	0	122.9
1374	M	25	Very low	26.7	Very low	149 Å²	149	149.2 Å²	149.2	73%	0.734	75%	0.746	S	S	*	*			trans	83.5	107.8	143.9	-63.4	-66.9	-118.6	0	0	121.8
1375	N	27.9	Very low	26.5	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	74%	0.744	S	S	*	*				81.9	123.2	129	-61.5	-9.6	0	0	0	122.8
1376	N	26.9	Very low	26.3	Very low	152 Å²	152	151.8 Å²	151.8	81%	0.813	75%	0.754	S	S	*	*			trans	-102.2	170.5	156.4	-86.3	-66	0	0	0	108.3
1377	R	26.7	Very low	26.2	Very low	233 Å²	233	149.8 Å²	149.8	88%	0.879	75%	0.75	S	S	*	*			cis	-159.9	-178.7	7	-134.3	171.7	-171.1	-175.8	1	110
1378	K	26.3	Very low	26	Very low	169 Å²	169	148.6 Å²	148.6	74%	0.735	75%	0.754	S	S	*	*			trans	-137.1	132.9	168.9	-109.7	-177	171.5	-102.7	0	113.7
1379	E	25	Very low	25.7	Very low	145 Å²	145	147.4 Å²	147.4	68%	0.678	76%	0.756	S	S	*	*			trans	54.8	137.5	135.4	-74.8	168.5	151.4	0	0	125.6
1380	I	25.9	Very low	25.3	Very low	146 Å²	146	147.7 Å²	147.7	75%	0.749	76%	0.757	S	S	*	*			trans	91.4	98.8	148	-67	160.7	0	0	0	121.6
1381	L	22.7	Very low	25	Very low	154 Å²	154	145.6 Å²	145.6	81%	0.806	75%	0.752	S	S	*	*			trans	37.4	124.5	133.4	-69.5	149.7	0	0	0	123.4
1382	R	24.5	Very low	24.7	Very low	223 Å²	223	147 Å²	147	84%	0.842	75%	0.749	S	S	*	*				-166.9	147.2	99.6	-105.4	-170.8	-173	-152.6	5.5	114.8
1383	D	22.4	Very low	24.4	Very low	118 Å²	118	146.9 Å²	146.9	63%	0.631	75%	0.752	S	S	*	*			trans	29.3	108	149.8	-43.7	-30.5	0	0	0	121.4
1384	L	22.5	Very low	24.3	Very low	167 Å²	167	143.7 Å²	143.7	87%	0.874	75%	0.747	S	S	*	*				178.5	150.6	116	-103.4	150	0	0	0	114.9
1385	S	23.7	Very low	24.2	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	75%	0.75	S	S	*	*			trans	84.7	135.6	152.6	80.2	0	0	0	0	122.5
1386	Q	25.4	Very low	23.9	Very low	190 Å²	190	142.4 Å²	142.4	89%	0.888	75%	0.751	S	S	*	*			trans	73.8	155.7	149.7	-71.9	-172.8	-0.9	0	0	122.2
1387	P	26.8	Very low	23.8	Very low	105 Å²	105	142.1 Å²	142.1	68%	0.682	75%	0.748	S	S	*	*			trans	-135.8	-153.5	-152.5	39.6	-16.6	0	0	0	114.4
1388	T	24.3	Very low	23.6	Very low	141 Å²	141	141.8 Å²	141.8	87%	0.865	75%	0.748	S	S	*	*			trans	78	162.8	162.9	50.7	0	0	0	0	119.6
1389	S	21.4	Very low	23.6	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	74%	0.739	S	S	*	*			trans	-118.3	175.2	-170.7	52.1	0	0	0	0	111.5
1390	L	22	Very low	23.5	Very low	131 Å²	131	140.7 Å²	140.7	69%	0.686	75%	0.75	S	S	*	*			trans	75.1	101.3	162.1	-73.1	158.3	0	0	0	119.6	I229	I229-L1390 HydrophobicContact CD1-CD2 4.46Å
1391	S	22.5	Very low	23.3	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	75%	0.748	S	S	*	*				114.2	142.6	104.3	76.6	0	0	0	0	120.4
1392	Y	22.4	Very low	23.5	Very low	161 Å²	161	140.7 Å²	140.7	63%	0.631	75%	0.748	S	S	*	*			trans	60.1	157.2	170.7	-59.2	-76.5	0	0	0	116.3	N228	N228-Y1392 HydrophobicContact CB-CE2 3.97Å; N228-Y1392 WeakPolarHBondContact CB-OH 3.02Å; N228-Y1392 WeakPolarHBondContact ND2-CE2 3.46Å
1393	V	21.3	Very low	23.3	Very low	132 Å²	132	136 Å²	136	80%	0.8	73%	0.734	S	S	*	*			cis	-133.7	150.7	12.3	-171.3	0	0	0	0	106.4
1394	A	24	Very low	23.5	Very low	79 Å²	79	136.3 Å²	136.3	65%	0.653	74%	0.742	S	S	*	*				175.9	164.6	72.6	0	0	0	0	0	113.8
1395	N	22.7	Very low	23.7	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	74%	0.737	S	S	*	*			trans	14.6	149.6	137.1	-55	-8.9	0	0	0	120.2
1396	S	22.2	Very low	23.8	Very low	105 Å²	105	138 Å²	138	73%	0.734	75%	0.745	S	S	*	*			cis	-169	-179.9	-5.4	43.1	0	0	0	0	106.6
1397	I	25.8	Very low	23.7	Very low	147 Å²	147	137.3 Å²	137.3	75%	0.754	75%	0.746	S	S	*	*			cis	-160	131.3	43.2	-71.6	-179.4	0	0	0	109.7
1398	Y	20.9	Very low	23.6	Very low	225 Å²	225	138 Å²	138	88%	0.882	75%	0.748	S	S	*	*			trans	-95.6	160.5	140.5	-102.2	-92.7	0	0	0	106.5
1399	P	27	Very low	23.5	Very low	85 Å²	85	136.6 Å²	136.6	55%	0.552	74%	0.744	S	S	*	*			cis	-140.7	-171.9	15.9	42.9	-24.9	0	0	0	115.3
1400	F	23.4	Very low	23.5	Very low	206 Å²	206	139 Å²	139	90%	0.904	75%	0.748	S	S	*	*				-131.3	106.8	124.3	-110.4	-77.4	0	0	0	109.4
1401	M	22.2	Very low	23.7	Very low	141 Å²	141	138 Å²	138	70%	0.695	75%	0.749	S	S	*	*			trans	-109.2	142.6	161.6	-73.8	-175.3	69	0	0	107.4
1402	I	26.1	Very low	23.8	Very low	159 Å²	159	142.3 Å²	142.3	82%	0.815	77%	0.765	S	S	*	*			trans	-110.2	107.1	164.8	-65.5	172.9	0	0	0	107.7
1403	K	21.5	Very low	23.9	Very low	124 Å²	124	142.3 Å²	142.3	54%	0.539	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-101.8	145.6	148	-80.3	-176.4	170.1	-172.6	0	107.7
1404	P	24.7	Very low	24.1	Very low	126 Å²	126	139.3 Å²	139.3	82%	0.818	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-77.1	128.7	147.9	32.4	-27.9	0	0	0	108.6
1405	D	26.9	Very low	24.2	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-90.8	166.2	178.4	-72.2	-44.5	0	0	0	112.7
1406	D	25.5	Very low	24.4	Very low	163 Å²	163	144.3 Å²	144.3	87%	0.872	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69.8	141.7	-176.6	-82.3	-61.3	0	0	0	114	V1408	D1406-V1408 PolarHBondContact O-N 3.47Å; D1406-V1408 VanDerWaalsContact O-N 3.15Å
1407	L	24	Very low	24.5	Very low	174 Å²	174	146 Å²	146	91%	0.911	78%	0.78	S	S	*	*			trans	-78.2	89.7	172.5	-87.1	156.8	0	0	0	111.6
1408	V	24.3	Very low	24.6	Very low	120 Å²	120	144.5 Å²	144.5	73%	0.727	78%	0.78	S	S	*	*			trans	-131.7	97.3	151.7	-174	0	0	0	0	110.4	D1406 L1410	D1406-V1408 PolarHBondContact O-N 3.47Å; D1406-V1408 VanDerWaalsContact O-N 3.15Å; V1408-L1410 HydrophobicContact CG1-CD1 4.28Å
1409	S	23.1	Very low	24.8	Very low	111 Å²	111	141 Å²	141	78%	0.776	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.4	167.6	54.3	0	0	0	0	111.3
1410	L	21.7	Very low	24.7	Very low	151 Å²	151	145.1 Å²	145.1	79%	0.791	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-100.4	157.8	152.6	-94.7	100.4	0	0	0	109.8	V1408	V1408-L1410 HydrophobicContact CG1-CD1 4.28Å
1411	P	25.2	Very low	24.8	Very low	109 Å²	109	145.1 Å²	145.1	71%	0.708	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.6	143.5	-150.5	30.2	-36.2	0	0	0	115.2
1412	L	24.1	Very low	25	Very low	178 Å²	178	142.8 Å²	142.8	93%	0.932	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.2	124.1	156.6	-74	142.2	0	0	0	109.4
1413	I	25.3	Very low	25.1	Very low	160 Å²	160	141.9 Å²	141.9	82%	0.821	78%	0.775	S	S	*	*			trans	-138.1	134.8	158.3	-64.3	-174.3	0	0	0	108.3
1414	G	25.8	Very low	25.3	Very low	69 Å²	69	144.2 Å²	144.2	71%	0.711	79%	0.788	S	S	*	*			trans	126.9	100.1	178.4	0	0	0	0	0	113.1
1415	N	26.1	Very low	25.4	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	78%	0.784	S	S	*	*			cis	-159.8	134.4	-8.8	-112	-3.5	0	0	0	108.7
1416	Q	27.3	Very low	25.4	Very low	195 Å²	195	140 Å²	140	91%	0.911	78%	0.784	S	S	*	*			trans	-171.7	106.2	156	-112.5	170.9	19.6	0	0	111.1
1417	D	22.9	Very low	25.4	Very low	142 Å²	142	140 Å²	140	76%	0.759	78%	0.783	S	S	*	*			trans	-81.1	162.1	168	-53.1	-72.2	0	0	0	110.5
1418	P	28	Very low	25.6	Very low	114 Å²	114	138.3 Å²	138.3	74%	0.74	77%	0.773	S	S	*	*				-147.4	130.6	82.7	34.6	-15.1	0	0	0	117.4
1419	I	25.8	Very low	25.6	Very low	152 Å²	152	138.2 Å²	138.2	78%	0.779	77%	0.773	S	S	*	*				53.5	112.3	126.2	-51.5	163.6	0	0	0	119.2
1420	Q	25.4	Very low	25.8	Very low	172 Å²	172	137.6 Å²	137.6	80%	0.804	77%	0.769	S	S	*	*				-144.6	132	128.8	-88.7	-160.3	-17.4	0	0	111.1
1421	Y	26.1	Very low	26	Very low	206 Å²	206	137 Å²	137	81%	0.808	77%	0.767	S	S	*	*			trans	24.8	136	157.5	-57.9	-82.3	0	0	0	121.3
1422	S	25.8	Very low	26	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	76%	0.761	S	S	*	*			cis	-173	150.5	0	50.9	0	0	0	0	114.8
1423	I	27.4	Very low	26	Very low	141 Å²	141	135.4 Å²	135.4	72%	0.723	76%	0.756	S	S	*	*			trans	78.2	104.4	144	-71	162.9	0	0	0	119.7
1424	Q	26.5	Very low	26	Very low	173 Å²	173	133 Å²	133	81%	0.808	75%	0.754	S	S	*	*			trans	64.3	145.5	130.2	-64.4	178.9	-27	0	0	122.1
1425	S	27.5	Very low	25.8	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	76%	0.755	S	S	*	*			cis	-170.2	126.4	-15.2	49.7	0	0	0	0	114.3
1426	G	26.9	Very low	25.7	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	76%	0.757	S	S	*	*			trans	70.1	171.5	155.5	0	0	0	0	0	118.7
1427	L	24.5	Very low	25.5	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	75%	0.749	S	S	*	*			cis	-169.7	165.2	-20.7	-124	172.4	0	0	0	109.7
1428	I	27.3	Very low	25.4	Very low	137 Å²	137	136.1 Å²	136.1	70%	0.703	75%	0.749	S	S	*	*			trans	80.7	91.9	162.9	-59.9	162.5	0	0	0	118.7
1429	T	24.6	Very low	25.2	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	76%	0.755	S	S	*	*			trans	45.6	152.2	130.8	66.6	0	0	0	0	125.6
1430	S	27.3	Very low	25.4	Very low	98 Å²	98	135.5 Å²	135.5	69%	0.685	75%	0.751	S	S	*	*			trans	74.9	139.5	141.6	57.7	0	0	0	0	120.9
1431	D	25.7	Very low	25.5	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	75%	0.748	S	S	*	*			cis	-166.1	168.4	-25.2	-126.3	-49.1	0	0	0	113.8
1432	T	26.7	Very low	25.4	Very low	97 Å²	97	130.8 Å²	130.8	60%	0.595	75%	0.751	S	S	*	*			trans	50.3	122.9	152.3	56.1	0	0	0	0	122.8
1433	N	24.2	Very low	25.2	Very low	155 Å²	155	136.1 Å²	136.1	83%	0.829	76%	0.757	S	S	*	*				63.9	151.4	124.2	-55	-19.2	0	0	0	120.5
1434	S	25.3	Very low	25.1	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	75%	0.753	S	S	*	*			cis	-150.8	160.2	14.1	47.1	0	0	0	0	113.3
1435	F	21.6	Very low	24.9	Very low	168 Å²	168	133.4 Å²	133.4	74%	0.737	74%	0.744	S	S	*	*			trans	-73.1	149.1	153.8	-61.9	-122.8	0	0	0	107.6
1436	Y	23.4	Very low	24.6	Very low	201 Å²	201	132.5 Å²	132.5	79%	0.788	73%	0.728	S	S	*	*				-176.6	179.2	60.7	-94.7	-70.9	0	0	0	105.6
1437	T	22.9	Very low	24.4	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	73%	0.726	S	S	*	*			cis	-156	168.4	22.8	-22.3	0	0	0	0	111.1
1438	T	21.4	Very low	24.9	Very low	122 Å²	122	132.6 Å²	132.6	75%	0.748	70%	0.703	S	S	*	*			trans	-57	138.2	172.3	49.2	0	0	0	0	116.1
1439	V	22.7	Very low	24.8	Very low	144 Å²	144	132.2 Å²	132.2	87%	0.873	70%	0.697	S	S	*	*			trans	-140.2	110.1	150.8	-177.3	0	0	0	0	110.5
1440	P	29.6	Very low	24.9	Very low	108 Å²	108	132 Å²	132	70%	0.701	69%	0.691	S	S	*	*			trans	-132.3	173	134.5	38.9	-29.1	0	0	0	110.1
1441	P	27.7	Very low	24.9	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	69%	0.692	S	S	*	*			cis	-138.2	179.9	16.6	43.4	-26.8	0	0	0	116.1
1442	L	24.9	Very low	24.9	Very low	166 Å²	166	126.6 Å²	126.6	87%	0.869	67%	0.671	S	S	*	*				-162	166.7	129.8	-107.4	165.7	0	0	0	112
1443	R	22.1	Very low	25	Very low	202 Å²	202	129.2 Å²	129.2	76%	0.762	68%	0.68	S	S	*	*			trans	-90.8	174.5	-167.3	-49.1	168	-179.4	174.1	-3.8	110.9
1444	H	23.5	Very low	25.4	Very low	136 Å²	136	124.3 Å²	124.3	63%	0.63	66%	0.657	S	S	*	*			cis	-162.1	153.4	26.7	-99.6	-71.3	0	0	0	111.6
1445	L	22.9	Very low	25.6	Very low	121 Å²	121	127.5 Å²	127.5	63%	0.634	66%	0.662	S	S	*	*			trans	50.9	147.7	142.5	-52.2	166.8	0	0	0	120.6
1446	Q	22.1	Very low	25.7	Very low	88 Å²	88	126.6 Å²	126.6	41%	0.411	67%	0.665	S	S	.	*			cis	-156.4	-147.7	-3.7	-118.4	177.1	12.5	0	0	111.5	T1513	Q1446-T1513 HydrophobicContact CB-CG2 4.29Å; Q1446-T1513 WeakPolarHBondContact CB-OG1 3.32Å; Q1446-T1513 VanDerWaalsContact OE1-CG2 3.29Å; Q1446-T1513 PolarHBondContact OE1-OG1 3.19Å
1447	Y	23	Very low	25.9	Very low	180 Å²	180	122.8 Å²	122.8	71%	0.706	67%	0.667	S	S	*	*			trans	-142.9	174.9	-163.1	-102.2	-47.2	0	0	0	112.9	S1512 T1513	Y1447-S1512 VanDerWaalsContact C-CA 3.44Å; Y1447-S1512 VanDerWaalsContact C-CB 3.43Å; Y1447-S1512 CarbonylContact O-C 3.58Å; Y1447-S1512 WeakPolarHBondContact O-CA 3.44Å; Y1447-S1512 WeakPolarHBondContact O-CB 3.47Å; Y1447-T1513 VanDerWaalsContact O-CG2 3.27Å; Y1447-T1513 WeakPolarHBondContact O-CG2 3.11Å; Y1447-T1513 PolarHBondContact O-N 3.41Å
1448	P	34.8	Very low	26	Very low	57 Å²	57	124.1 Å²	124.1	37%	0.37	67%	0.669	S	S	.	*				-132.2	-179.3	-72.6	24.7	1	0	0	0	118.6	L1511	P1448-L1511 CarbonylContact C-O 3.54Å
1449	F	24.9	Very low	26.3	Very low	130 Å²	130	125.7 Å²	125.7	57%	0.57	67%	0.673	S	S	*	*			trans	88.9	150.7	159.6	-57	-75.2	0	0	0	118.5	T1509 L1511	F1449-T1509 HydrophobicContact CD1-CG2 3.59Å; F1449-T1509 HydrophobicContact CE1-CG2 3.46Å; F1449-T1509 VanDerWaalsContact CE1-CG2 3.46Å; F1449-L1511 PolarHBondContact N-O 3.32Å
1450	N	25.4	Very low	26.4	Very low	113 Å²	113	126 Å²	126	60%	0.604	67%	0.665	S	S	*	*			cis	-168.3	154.6	0.8	-118.5	-9.9	0	0	0	110.8	S1508 T1509	N1450-S1508 CarbonylContact C-O 3.45Å; N1450-S1508 WeakPolarHBondContact CA-O 3.35Å; N1450-S1508 PolarHBondContact OD1-O 3.49Å; N1450-T1509 WeakPolarHBondContact OD1-CA 3.48Å; N1450-T1509 PolarHBondContact OD1-N 3.31Å
1451	G	27.4	Very low	26.1	Very low	68 Å²	68	127.8 Å²	127.8	70%	0.701	67%	0.669	S	S	*	*			trans	150.1	91.7	155.5	0	0	0	0	0	120.8	S1508	G1451-S1508 PolarHBondContact N-O 2.91Å
1452	N	27.1	Very low	26	Very low	56 Å²	56	127.3 Å²	127.3	30%	0.299	68%	0.675	S	S	.	*			trans	-77.3	178.7	-172.9	-162.4	-107.9	0	0	0	118.8	Y1506 I1507 S1508	N1452-Y1506 WeakPolarHBondContact CB-O 3.39Å; N1452-I1507 HydrophobicContact CB-CB 4.02Å; N1452-I1507 HydrophobicContact CB-CG1 4.5Å; N1452-S1508 VanDerWaalsContact CB-OG 3.31Å; N1452-S1508 WeakPolarHBondContact CB-OG 3.27Å; N1452-S1508 WeakPolarHBondContact ND2-CB 3.47Å; N1452-S1508 PolarHBondContact ND2-OG 3.19Å
1453	L	28.8	Very low	25.9	Very low	152 Å²	152	127.4 Å²	127.4	80%	0.796	68%	0.675	S	S	*	*			trans	-154.4	148.2	133.8	-103.9	165.7	0	0	0	112.5
1454	P	32.7	Very low	26	Very low	53 Å²	53	124.9 Å²	124.9	34%	0.344	68%	0.676	S	S	.	*			trans	-125.9	178.9	-173.6	43.8	-32.2	0	0	0	116
1455	M	28.2	Very low	26	Very low	176 Å²	176	126 Å²	126	87%	0.867	68%	0.682	S	S	*	*			trans	-156.5	167.8	157.3	-112.7	-56.7	177.8	0	0	114
1456	N	23.4	Very low	26.1	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	69%	0.688	S	S	*	*			trans	-115.8	160.1	-167.4	-58.1	-58.1	0	0	0	114.9
1457	S	28.7	Very low	26.1	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	70%	0.701	S	S	*	*			trans	-150.4	159.9	145.8	64.5	0	0	0	0	112.9
1458	L	25.7	Very low	26	Very low	150 Å²	150	128.8 Å²	128.8	79%	0.785	70%	0.702	S	S	*	*			trans	-52.2	160.4	178.2	-102	60.8	0	0	0	114.4
1459	D	25.7	Very low	25.4	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	72%	0.724	S	S	*	*				-155	176.8	68.6	-128.2	-26.7	0	0	0	118.3
1460	Q	25.3	Very low	25.3	Very low	151 Å²	151	130.8 Å²	130.8	71%	0.706	73%	0.728	S	S	*	*			trans	-120.8	157	-175.8	-68.6	-170.3	-9.5	0	0	115.4
1461	N	23.3	Very low	25.1	Very low	145 Å²	145	131.3 Å²	131.3	78%	0.775	73%	0.731	S	S	*	*			trans	54.9	108.8	147.3	-66.4	-30.5	0	0	0	121.6
1462	A	25.6	Very low	25.1	Very low	104 Å²	104	135.1 Å²	135.1	86%	0.86	73%	0.73	S	S	*	*				179.8	162.4	124.9	0	0	0	0	0	111.5
1463	L	23.7	Very low	25	Very low	168 Å²	168	140 Å²	140	88%	0.88	75%	0.751	S	S	*	*			cis	-163.1	152.7	-45.6	-173.2	63	0	0	0	108
1464	N	22.8	Very low	24.8	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	75%	0.748	S	S	*	*			trans	-86.3	136.1	177.7	-84.6	-29.6	0	0	0	114.6
1465	Q	25.4	Very low	24.5	Very low	160 Å²	160	144.7 Å²	144.7	75%	0.748	76%	0.761	S	S	*	*			trans	173.6	156.5	137.3	-97.8	166.6	83.5	0	0	109.5
1466	L	23.1	Very low	24.5	Very low	144 Å²	144	142.1 Å²	142.1	75%	0.754	75%	0.751	S	S	*	*			cis	-133.1	155.1	33.4	-70.3	158.8	0	0	0	110.5
1467	K	22.4	Very low	24.7	Very low	158 Å²	158	142.3 Å²	142.3	69%	0.687	75%	0.747	S	S	*	*				55.4	137.3	66.4	-76.6	-169.8	175.2	-178.6	0	114.2
1468	M	21.4	Very low	24.6	Very low	146 Å²	146	141 Å²	141	72%	0.719	74%	0.735	S	S	*	*			cis	-170.1	153.8	-5.3	-127.6	173.1	76.6	0	0	111.1	V1470	M1468-V1470 HydrophobicContact CE-CG2 3.95Å
1469	S	22	Very low	24.5	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	73%	0.731	S	S	*	*			trans	-162.3	168.3	148	67.8	0	0	0	0	111.3
1470	V	22.3	Very low	24.5	Very low	107 Å²	107	139 Å²	139	65%	0.648	72%	0.722	S	S	*	*			trans	-148.8	156.1	-149.2	164.3	0	0	0	0	114.1	M1468	M1468-V1470 HydrophobicContact CE-CG2 3.95Å
1471	N	22.8	Very low	24.3	Very low	125 Å²	125	137.8 Å²	137.8	67%	0.668	72%	0.716	S	S	*	*			trans	99.6	135.3	153.7	-96.7	1.4	0	0	0	122.9
1472	H	25.6	Very low	24.3	Very low	147 Å²	147	139 Å²	139	68%	0.681	72%	0.717	S	S	*	*			trans	62.1	147.7	157.9	-58.8	-49.2	0	0	0	119.2
1473	Q	25.6	Very low	24.3	Very low	159 Å²	159	139 Å²	139	74%	0.743	71%	0.711	S	S	*	*			cis	-150.6	144.3	1.7	-140	163.2	-39.4	0	0	112.2
1474	Y	25.4	Very low	24.3	Very low	185 Å²	185	138 Å²	138	73%	0.725	71%	0.706	S	S	*	*			trans	37.5	112.3	145.1	-82.1	-112.5	0	0	0	120
1475	N	26.7	Very low	24.4	Very low	118 Å²	118	137.2 Å²	137.2	63%	0.631	70%	0.702	S	S	*	*				100.4	146.7	89.8	-86.2	47.6	0	0	0	110.7
1476	D	28.3	Very low	24.4	Very low	123 Å²	123	135.5 Å²	135.5	66%	0.658	70%	0.696	S	S	*	*			cis	-129.4	138.3	0.5	-78.9	-53.3	0	0	0	108.2
1477	E	26	Very low	24.4	Very low	153 Å²	153	136.7 Å²	136.7	72%	0.715	70%	0.696	S	S	*	*				56.4	139.2	90.3	-63.5	-152.1	171.9	0	0	115.9
1478	T	27.2	Very low	24.8	Very low	94 Å²	94	136.8 Å²	136.8	58%	0.577	70%	0.703	S	S	*	*			cis	-155.8	156	-0.3	15.4	0	0	0	0	108.5
1479	I	24	Very low	24.8	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	70%	0.7	S	S	*	*			cis	75.5	138.2	30.5	-69.1	176.5	0	0	0	112.5
1480	I	24.7	Very low	25.2	Very low	128 Å²	128	138.5 Å²	138.5	66%	0.656	70%	0.7	S	S	*	*			cis	-165.1	136.9	-26	-123.3	167.9	0	0	0	104.9
1481	Q	22.9	Very low	25.3	Very low	124 Å²	124	139.3 Å²	139.3	58%	0.579	70%	0.7	S	S	*	*				60.4	119.4	90.4	-155.1	-178.3	-36.9	0	0	117.3
1482	Q	22.8	Very low	25.5	Very low	170 Å²	170	140.9 Å²	140.9	79%	0.794	70%	0.701	S	S	*	*			trans	68.3	171.1	149.5	-80	175.1	-57.4	0	0	122.3
1483	S	24.3	Very low	25.7	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	70%	0.7	S	S	*	*			trans	-118.1	156.6	-162.8	54.6	0	0	0	0	113.1
1484	D	25.7	Very low	25.7	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	70%	0.7	S	S	*	*			trans	-170.2	163.1	161.1	-120	12.9	0	0	0	108.9
1485	L	24.4	Very low	25.7	Very low	133 Å²	133	139.2 Å²	139.2	70%	0.696	70%	0.7	S	S	*	*			cis	-161.8	-170	-5.3	-141.1	-176.7	0	0	0	108.6
1486	I	24.5	Very low	25.8	Very low	123 Å²	123	143 Å²	143	63%	0.631	71%	0.713	S	S	*	*			trans	85.3	108.4	145.7	-78.8	161.7	0	0	0	121.4
1487	K	22.9	Very low	25.6	Very low	170 Å²	170	140.1 Å²	140.1	74%	0.739	71%	0.713	S	S	*	*			trans	46.7	126.4	135.8	-51	174.3	-174.3	172.3	0	121.4
1488	N	30.4	Very low	25.5	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	72%	0.717	S	S	*	*				-160.6	-172.8	102	-99.9	-30.1	0	0	0	115.2
1489	L	23	Very low	25.4	Very low	122 Å²	122	147.5 Å²	147.5	64%	0.639	73%	0.731	S	S	*	*			trans	-162	115.4	-131	-170.6	-179	0	0	0	113.9	L1491	L1489-L1491 HydrophobicContact CD2-CD1 4.11Å
1490	Q	28.9	Very low	25.6	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	73%	0.731	S	S	*	*			trans	-176	135.8	159.5	-103.1	161.4	29.8	0	0	108.5
1491	L	25.3	Very low	25.8	Very low	124 Å²	124	144.1 Å²	144.1	65%	0.649	74%	0.742	S	S	*	*			cis	70.4	135.5	32.5	-64.8	166.9	0	0	0	113.5	L1489	L1489-L1491 HydrophobicContact CD2-CD1 4.11Å
1492	F	27.8	Very low	25.9	Very low	157 Å²	157	145.5 Å²	145.5	69%	0.689	75%	0.753	S	S	*	*			cis	-130.4	174.8	18.6	-80.4	-92.6	0	0	0	111.7
1493	N	28.3	Very low	26.6	Very low	123 Å²	123	141.7 Å²	141.7	66%	0.658	74%	0.743	S	S	*	*			cis	-161.3	174.9	42	-75.1	-84.6	0	0	0	108
1494	R	26.8	Very low	26.6	Very low	200 Å²	200	143.8 Å²	143.8	76%	0.755	75%	0.745	S	S	*	*			cis	-174.7	159.7	-17.3	-99.1	179.9	-162.5	-139.8	-0.7	105.3
1495	N	25.6	Very low	26.5	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	73%	0.731	S	S	*	*			cis	-161.4	175	-10.6	-124.8	10	0	0	0	110.8
1496	Q	27.8	Very low	26.5	Very low	197 Å²	197	143 Å²	143	92%	0.921	73%	0.73	S	S	*	*			trans	95.5	146.2	161.5	-59	-162.4	-17	0	0	119.7
1497	G	23.5	Very low	26.4	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	73%	0.727	S	S	*	*			trans	-176.2	-160.6	173.6	0	0	0	0	0	108.5
1498	F	24.5	Very low	26.5	Very low	181 Å²	181	135.8 Å²	135.8	79%	0.794	70%	0.702	S	S	*	*			trans	82.6	138	170.7	-84.3	-80.1	0	0	0	121.1
1499	Y	26.2	Very low	26.6	Very low	220 Å²	220	132.3 Å²	132.3	86%	0.863	69%	0.687	S	S	*	*			trans	67.7	128.7	163.6	-62	-63.3	0	0	0	120.8
1500	G	27	Very low	27.2	Very low	69 Å²	69	130.7 Å²	130.7	71%	0.711	68%	0.684	S	S	*	*			trans	160.3	75.3	175.2	0	0	0	0	0	114.3
1501	S	29	Very low	26.9	Very low	124 Å²	124	127.2 Å²	127.2	87%	0.867	67%	0.671	S	S	*	*			trans	34.5	89	160.7	56.3	0	0	0	0	120.1
1502	N	24.9	Very low	26.9	Very low	154 Å²	154	124 Å²	124	82%	0.824	66%	0.659	S	S	*	*			trans	-64.2	-175.7	140.7	-121	1.4	0	0	0	110.2
1503	P	38	Very low	26.8	Very low	89 Å²	89	119.9 Å²	119.9	58%	0.578	65%	0.646	S	S	*	*			cis	-147.8	-167.4	-22.9	35.4	-12.2	0	0	0	115.9
1504	L	23.8	Very low	26.5	Very low	150 Å²	150	121.5 Å²	121.5	79%	0.785	64%	0.644	S	S	*	*			trans	70.3	152.6	157.5	-54.5	175.8	0	0	0	117
1505	N	23.8	Very low	26.3	Very low	91 Å²	91	115.7 Å²	115.7	49%	0.487	64%	0.639	S	S	.	*			cis	-160.4	169.4	-2.2	-112.4	0.3	0	0	0	108.1
1506	Y	24.2	Very low	26.3	Very low	170 Å²	170	116.9 Å²	116.9	67%	0.667	65%	0.646	S	S	*	*			cis	-177.6	153.4	-33.6	-165.4	27.7	0	0	0	108.2	N1452	N1452-Y1506 WeakPolarHBondContact CB-O 3.39Å
1507	I	23.8	Very low	26	Very low	110 Å²	110	111.5 Å²	111.5	56%	0.564	63%	0.629	S	S	*	*			trans	54.2	-172.2	172.4	-2.4	179.6	0	0	0	114.8	N1452	N1452-I1507 HydrophobicContact CB-CB 4.02Å; N1452-I1507 HydrophobicContact CB-CG1 4.5Å
1508	S	23.4	Very low	25.9	Very low	33 Å²	33	115.5 Å²	115.5	23%	0.231	64%	0.635	C	S	.	*			cis	-153.5	158.4	-10.9	57.8	0	0	0	0	110.1	N1450 G1451 N1452	N1450-S1508 CarbonylContact C-O 3.45Å; N1450-S1508 WeakPolarHBondContact CA-O 3.35Å; N1450-S1508 PolarHBondContact OD1-O 3.49Å; G1451-S1508 PolarHBondContact N-O 2.91Å; N1452-S1508 VanDerWaalsContact CB-OG 3.31Å; N1452-S1508 WeakPolarHBondContact CB-OG 3.27Å; N1452-S1508 WeakPolarHBondContact ND2-CB 3.47Å; N1452-S1508 PolarHBondContact ND2-OG 3.19Å
1509	T	33.6	Very low	26	Very low	85 Å²	85	113.4 Å²	113.4	52%	0.521	64%	0.637	S	S	.	*			trans	-84	-174.1	-178.8	75.2	0	0	0	0	112	F1449 N1450	F1449-T1509 HydrophobicContact CD1-CG2 3.59Å; F1449-T1509 HydrophobicContact CE1-CG2 3.46Å; F1449-T1509 VanDerWaalsContact CE1-CG2 3.46Å; N1450-T1509 WeakPolarHBondContact OD1-CA 3.48Å; N1450-T1509 PolarHBondContact OD1-N 3.31Å
1510	P	34.8	Very low	25.9	Very low	88 Å²	88	107 Å²	107	57%	0.571	63%	0.629	S	S	*	*			cis	-133.7	-162.7	-5.3	40.9	-21.1	0	0	0	114.1
1511	L	23.6	Very low	25.9	Very low	110 Å²	110	110.1 Å²	110.1	58%	0.576	64%	0.635	S	S	*	*			trans	60.1	163.6	179.1	-90.5	74.6	0	0	0	115.9	P1448 F1449	P1448-L1511 CarbonylContact C-O 3.54Å; F1449-L1511 PolarHBondContact N-O 3.32Å
1512	S	25	Very low	25.7	Very low	57 Å²	57	111.6 Å²	111.6	40%	0.399	63%	0.633	S	S	.	*				-161	147.3	-57.7	47.4	0	0	0	0	112.2	Y1447	Y1447-S1512 VanDerWaalsContact C-CA 3.44Å; Y1447-S1512 VanDerWaalsContact C-CB 3.43Å; Y1447-S1512 CarbonylContact O-C 3.58Å; Y1447-S1512 WeakPolarHBondContact O-CA 3.44Å; Y1447-S1512 WeakPolarHBondContact O-CB 3.47Å
1513	T	24.8	Very low	25.9	Very low	70 Å²	70	111.4 Å²	111.4	43%	0.429	64%	0.637	S	S	.	*			trans	-5.1	134.8	164.1	52.9	0	0	0	0	119.2	Q1446 Y1447	Q1446-T1513 HydrophobicContact CB-CG2 4.29Å; Q1446-T1513 WeakPolarHBondContact CB-OG1 3.32Å; Q1446-T1513 VanDerWaalsContact OE1-CG2 3.29Å; Q1446-T1513 PolarHBondContact OE1-OG1 3.19Å; Y1447-T1513 VanDerWaalsContact O-CG2 3.27Å; Y1447-T1513 WeakPolarHBondContact O-CG2 3.11Å; Y1447-T1513 PolarHBondContact O-N 3.41Å
1514	Y	22.9	Very low	25.3	Very low	156 Å²	156	114.4 Å²	114.4	61%	0.612	65%	0.647	S	S	*	*				-164.6	172.5	91.7	-116.9	-85.2	0	0	0	110.9
1515	A	22.8	Very low	25.3	Very low	79 Å²	79	115.8 Å²	115.8	65%	0.653	65%	0.65	S	S	*	*			trans	-74.1	155.6	163.6	0	0	0	0	0	109.8
1516	D	24.6	Very low	25.4	Very low	158 Å²	158	120.3 Å²	120.3	85%	0.845	67%	0.668	S	S	*	*				-162.4	170.8	107.9	-124.2	-35.7	0	0	0	115.1
1517	S	21.4	Very low	25.4	Very low	83 Å²	83	124.1 Å²	124.1	58%	0.58	68%	0.681	S	S	*	*			trans	-79.9	166.9	174.9	64.1	0	0	0	0	114.1
1518	L	22.4	Very low	25.4	Very low	149 Å²	149	126.6 Å²	126.6	78%	0.78	69%	0.694	S	S	*	*			trans	47.2	109	146.7	-67.7	162.2	0	0	0	117.1
1519	T	25.4	Very low	25.5	Very low	136 Å²	136	133.6 Å²	133.6	83%	0.834	72%	0.723	S	S	*	*				171.4	168.1	81.3	37.3	0	0	0	0	109.6
1520	A	24.2	Very low	25.1	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	74%	0.737	S	S	*	*			cis	-169.4	126.1	-33.7	0	0	0	0	0	109.4
1521	T	27.6	Very low	24.6	Very low	135 Å²	135	141.7 Å²	141.7	83%	0.828	75%	0.749	S	S	*	*			trans	-154.9	94.3	154.7	18.4	0	0	0	0	110.4
1522	L	24.5	Very low	24.6	Very low	156 Å²	156	142 Å²	142	82%	0.817	76%	0.76	S	S	*	*				46.4	102.5	123.3	-73	157.4	0	0	0	118.6
1523	T	29.9	Very low	24.5	Very low	149 Å²	149	149 Å²	149	91%	0.914	78%	0.784	S	S	*	*				-150.1	142.7	113.3	4.1	0	0	0	0	110.5
1524	L	23.9	Very low	24.8	Very low	153 Å²	153	150.9 Å²	150.9	80%	0.801	80%	0.797	S	S	*	*			trans	-101.2	92.1	-162.7	173.3	118.7	0	0	0	111.6
1525	Q	24.8	Very low	24.9	Very low	178 Å²	178	151.7 Å²	151.7	83%	0.832	81%	0.806	S	S	*	*			trans	-157.4	150.8	165.5	-137	97.6	30.9	0	0	112.1
1526	Q	26.6	Very low	25	Very low	186 Å²	186	154.3 Å²	154.3	87%	0.869	81%	0.808	S	S	*	*	S	Bend	trans	64.7	37.5	160.9	-60.4	-175	-29.4	0	0	119.6
1527	W	23.7	Very low	25.1	Very low	250 Å²	250	152 Å²	152	95%	0.947	80%	0.8	S	S	*	*			trans	-140.8	36.2	156.7	-133.1	63.4	0	0	0	114.5
1528	I	24.3	Very low	25.4	Very low	163 Å²	163	156.1 Å²	156.1	84%	0.836	81%	0.808	S	S	*	*			trans	-125.8	80	166.5	-56.6	178.3	0	0	0	108
1529	E	24.7	Very low	25.5	Very low	179 Å²	179	155.6 Å²	155.6	84%	0.836	81%	0.806	S	S	*	*			trans	-167	137.1	158.5	-112.5	166.2	-156.5	0	0	107.1
1530	H	25.5	Very low	25.7	Very low	176 Å²	176	156.1 Å²	156.1	82%	0.815	80%	0.802	S	S	*	*	S	Bend	trans	65.2	128.6	-168.6	-67.3	-93.3	0	0	0	115.9
1531	M	23.7	Very low	25.8	Very low	168 Å²	168	158.2 Å²	158.2	83%	0.828	80%	0.801	S	S	*	*			cis	-152.1	143.1	-3.6	-77.1	-139.6	-75	0	0	112.6
1532	S	23.6	Very low	25.8	Very low	115 Å²	115	157.7 Å²	157.7	80%	0.804	79%	0.792	S	S	*	*			trans	-162.2	56.7	164.4	51.5	0	0	0	0	117.6
1533	K	23.8	Very low	25.9	Very low	206 Å²	206	158.5 Å²	158.5	90%	0.896	79%	0.789	S	S	*	*			trans	68.1	176.7	159.3	-59.8	179.2	177.5	-179.8	0	116.5
1534	P	31.4	Very low	25.8	Very low	109 Å²	109	158.7 Å²	158.7	71%	0.708	78%	0.784	S	S	*	*				-132.3	162.5	-51.5	36.2	-21.5	0	0	0	115.9
1535	E	24	Very low	26	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.804	78%	0.776	S	S	*	*			trans	65.7	121.7	143.8	-74.3	-174	-179.3	0	0	125.7
1536	L	24.5	Very low	26.2	Very low	134 Å²	134	155.8 Å²	155.8	70%	0.702	77%	0.773	S	S	*	*			trans	89.7	122.4	131.9	-99.9	74.5	0	0	0	124.6
1537	T	26.3	Very low	26.3	Very low	109 Å²	109	154.6 Å²	154.6	67%	0.669	77%	0.768	S	S	*	*			trans	74.5	148.8	147.5	61.4	0	0	0	0	119.9
1538	K	28	Very low	26.5	Very low	171 Å²	171	146 Å²	146	74%	0.743	76%	0.758	S	S	*	*			cis	-157.1	133.1	3.5	-126.2	158	-172	170.3	0	113.9
1539	N	26.2	Very low	26.6	Very low	137 Å²	137	148 Å²	148	73%	0.733	76%	0.756	S	S	*	*				65.7	167.8	126.9	-75.6	36.8	0	0	0	125.1
1540	I	28.5	Very low	26.8	Very low	147 Å²	147	148.9 Å²	148.9	75%	0.754	76%	0.757	S	S	*	*			trans	88.5	95.9	170.1	-54.6	-179.7	0	0	0	112.7
1541	D	26.9	Very low	26.9	Very low	130 Å²	130	148.9 Å²	148.9	70%	0.695	76%	0.755	S	S	*	*				92.9	146.9	63.7	-75.8	-30.7	0	0	0	111.7
1542	I	27.7	Very low	27.1	Very low	123 Å²	123	146.9 Å²	146.9	63%	0.631	75%	0.746	S	S	*	*			cis	-163.9	144.4	4.8	-121.7	170.7	0	0	0	114.7
1543	K	25.7	Very low	27.3	Very low	173 Å²	173	148.3 Å²	148.3	75%	0.752	74%	0.744	S	S	*	*			trans	64.6	158.8	145.8	-72.8	-178.4	-174.9	173.2	0	127.1
1544	L	29	Very low	27.7	Very low	154 Å²	154	143.5 Å²	143.5	81%	0.806	74%	0.737	S	S	*	*			trans	90.6	142.7	149.5	-66.6	126.2	0	0	0	119.4
1545	S	27.5	Very low	27.5	Very low	92 Å²	92	149.3 Å²	149.3	64%	0.643	75%	0.745	S	S	*	*			cis	177	144.9	-33.8	51.2	0	0	0	0	111.7
1546	K	28.3	Very low	27.7	Very low	177 Å²	177	145.5 Å²	145.5	77%	0.77	74%	0.737	S	S	*	*			trans	174.2	120.6	136.2	-98.3	178.4	172.9	-178.8	0	110.6
1547	E	28.2	Very low	27.9	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.752	74%	0.741	S	S	*	*				76.9	138.2	88.1	-70.4	-172.6	133.6	0	0	114.6
1548	G	29.3	Very low	27.9	Very low	71 Å²	71	148.9 Å²	148.9	73%	0.732	75%	0.751	S	S	*	*			cis	-155	-140.9	14.9	0	0	0	0	0	117.6
1549	Y	26.8	Very low	27.8	Very low	203 Å²	203	148.8 Å²	148.8	80%	0.796	75%	0.75	S	S	*	*			trans	-114.3	154.4	-139	-89.1	-100.3	0	0	0	119.7
1550	K	28.3	Very low	27.7	Very low	199 Å²	199	148 Å²	148	87%	0.865	74%	0.742	S	S	*	*			trans	153.6	143.1	139	-80.8	146.2	-162.4	166.9	0	109.1
1551	K	28.2	Very low	27.7	Very low	176 Å²	176	149.8 Å²	149.8	77%	0.765	74%	0.741	S	S	*	*			cis	-122.7	176.9	-9.9	-93.7	-160.2	175.2	-168.3	0	108.2
1552	I	26.4	Very low	27.5	Very low	126 Å²	126	149.6 Å²	149.6	65%	0.646	74%	0.74	S	S	*	*			cis	93.2	132.8	13	-56.2	175.2	0	0	0	116.5
1553	D	29.1	Very low	27.6	Very low	144 Å²	144	152.2 Å²	152.2	77%	0.77	75%	0.754	S	S	*	*			trans	65.5	132.7	-177.4	-55.5	-41.5	0	0	0	117.8
1554	S	31.1	Very low	27.6	Very low	105 Å²	105	152.5 Å²	152.5	73%	0.734	76%	0.758	S	S	*	*			cis	-135.2	147	-1.4	66.9	0	0	0	0	111.3
1555	R	27.2	Very low	27.4	Very low	232 Å²	232	152.3 Å²	152.3	88%	0.875	76%	0.757	S	S	*	*				24	138.2	100.5	-77	-178.1	170.8	167.3	-4	116.2
1556	S	28.8	Very low	27.3	Very low	91 Å²	91	155.1 Å²	155.1	64%	0.636	77%	0.765	S	S	*	*			cis	-175.6	138.5	-8.7	43.6	0	0	0	0	111.6
1557	N	28.4	Very low	27.3	Very low	149 Å²	149	156.3 Å²	156.3	80%	0.797	77%	0.77	S	S	*	*				-178.8	135.4	128.2	-93.4	-15.5	0	0	0	114.4
1558	L	27.1	Very low	27.2	Very low	166 Å²	166	154.9 Å²	154.9	87%	0.869	77%	0.772	S	S	*	*			trans	49	81.8	152.4	-67.7	162	0	0	0	119.8
1559	K	24.3	Very low	27.2	Very low	168 Å²	168	159.2 Å²	159.2	73%	0.73	77%	0.774	S	S	*	*			trans	-76.5	135.6	140.7	-94.5	-170.4	168.1	-144.2	0	109.1
1560	Q	25	Very low	27.3	Very low	121 Å²	121	156 Å²	156	57%	0.565	77%	0.766	S	S	*	*				95	167.4	79	-162.7	174.8	-3.5	0	0	111.2
1561	Y	27.9	Very low	27.3	Very low	185 Å²	185	153.2 Å²	153.2	73%	0.725	76%	0.756	S	S	*	*			trans	80.1	127.5	-176.1	-54.9	-76	0	0	0	113.4
1562	D	23.5	Very low	27.4	Very low	126 Å²	126	150.8 Å²	150.8	67%	0.674	75%	0.752	S	S	*	*			cis	123.3	168.9	15.6	-88.7	-42.5	0	0	0	108.2
1563	L	29.8	Very low	27.5	Very low	178 Å²	178	151.7 Å²	151.7	93%	0.932	76%	0.756	S	S	*	*			trans	81.7	145.9	179.8	-60	161.7	0	0	0	115.7
1564	Q	24.8	Very low	27.5	Very low	179 Å²	179	149.7 Å²	149.7	84%	0.836	75%	0.752	S	S	*	*			trans	-100.4	160.3	-165.8	-64.2	173.3	-59.5	0	0	112.3
1565	L	26.3	Very low	27.4	Very low	149 Å²	149	150.3 Å²	150.3	78%	0.78	75%	0.747	S	S	*	*			trans	9.9	125.2	156.5	-76.3	73.9	0	0	0	117.5
1566	N	24.1	Very low	27.5	Very low	151 Å²	151	146 Å²	146	81%	0.807	74%	0.737	S	S	*	*				-155.5	153.5	97.3	-110.6	-29.6	0	0	0	114.5
1567	K	29.4	Very low	27.6	Very low	202 Å²	202	146.1 Å²	146.1	88%	0.878	73%	0.731	S	S	*	*			trans	-79.7	145.1	156.1	-69.3	-179.1	177.2	-178.7	0	108
1568	T	25.3	Very low	27.7	Very low	131 Å²	131	146.7 Å²	146.7	80%	0.804	73%	0.726	S	S	*	*			trans	-145.2	167.6	163.1	-17.5	0	0	0	0	109.9
1569	E	28.9	Very low	27.8	Very low	163 Å²	163	148 Å²	148	76%	0.762	72%	0.719	S	S	*	*			trans	83.3	121.1	-170.6	-53.3	-138.1	113.7	0	0	114.7
1570	Q	28.9	Very low	28	Very low	136 Å²	136	146.3 Å²	146.3	64%	0.636	71%	0.714	S	S	*	*			cis	-150.6	159.1	-8.9	-98.1	179.4	28.8	0	0	106.1
1571	Q	29.8	Very low	28.2	Very low	139 Å²	139	147.2 Å²	147.2	65%	0.65	72%	0.718	S	S	*	*			cis	-163	150.9	16.6	-127.5	177.2	53	0	0	110.3
1572	N	29.3	Very low	28.2	Very low	126 Å²	126	147.4 Å²	147.4	67%	0.674	72%	0.722	S	S	*	*			trans	62.9	146	145.1	-62.4	-12.7	0	0	0	121.4
1573	I	29.6	Very low	28.6	Very low	145 Å²	145	146.5 Å²	146.5	74%	0.744	73%	0.726	S	S	*	*			cis	-151.4	160.4	4.1	-122	160.1	0	0	0	112.6
1574	C	27.6	Very low	29	Very low	101 Å²	101	144.2 Å²	144.2	68%	0.682	72%	0.722	S	S	*	*			trans	-19.3	161.6	166.5	-60.2	0	0	0	0	121.3
1575	N	29.1	Very low	29.1	Very low	118 Å²	118	145.9 Å²	145.9	63%	0.631	72%	0.72	S	S	*	*			cis	-166.1	160.5	-3.7	-116.6	24.6	0	0	0	112.6
1576	E	30.7	Very low	29.2	Very low	142 Å²	142	144.8 Å²	144.8	66%	0.664	71%	0.711	S	S	*	*			trans	65.6	155	146.9	-72.4	176.3	-102.7	0	0	120.1
1577	N	29.8	Very low	29.4	Very low	94 Å²	94	143.5 Å²	143.5	50%	0.503	70%	0.704	S	S	.	*			cis	-161.2	137.4	-1.6	-120.9	-26.6	0	0	0	112.3
1578	K	30.3	Very low	29.4	Very low	160 Å²	160	140.9 Å²	140.9	70%	0.696	70%	0.699	S	S	*	*			trans	57.4	156.7	142.3	-63.3	158.3	-171.7	142.9	0	120.3
1579	R	29.2	Very low	29.4	Very low	193 Å²	193	139.3 Å²	139.3	73%	0.728	69%	0.694	S	S	*	*			cis	-176.8	158.9	-22.9	-106.6	178.7	176.2	-158.4	6.1	109
1580	H	29.9	Very low	29.3	Very low	134 Å²	134	137 Å²	137	62%	0.62	70%	0.696	S	S	*	*			trans	66.8	158	159.9	-58.4	-54.3	0	0	0	117.7
1581	H	28.8	Very low	29.2	Very low	139 Å²	139	134.4 Å²	134.4	64%	0.644	69%	0.692	S	S	*	*			cis	-162.9	151.7	-19.2	-115.4	-38.5	0	0	0	112.8
1582	K	27.8	Very low	29.3	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.826	70%	0.701	S	S	*	*			trans	64.4	145.1	147.1	-67.1	176.1	-179.9	-178.6	0	121.1
1583	S	31.2	Very low	29.6	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	70%	0.699	S	S	*	*			trans	-100.8	173.2	158.6	57.8	0	0	0	0	111.1
1584	P	38.2	Very low	29.9	Very low	131 Å²	131	134.6 Å²	134.6	85%	0.851	70%	0.701	S	S	*	*				-135	-149.8	117.6	39.8	-29	0	0	0	112.8
1585	R	26.5	Very low	30.3	Very low	214 Å²	214	134.9 Å²	134.9	81%	0.808	70%	0.704	S	S	*	*			trans	-139.6	161.5	-152.5	-145.4	-178.9	178.8	-145.7	13.3	112.8
1586	E	29.7	Very low	30.5	Very low	126 Å²	126	132.5 Å²	132.5	59%	0.589	71%	0.708	S	S	*	*			trans	85.6	131.5	149.7	-90.3	165.3	-117.7	0	0	123.3
1587	N	28.7	Very low	30.7	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	71%	0.712	S	S	*	*			trans	87.6	103.4	142.7	-60.6	-21.8	0	0	0	123.5
1588	L	28.1	Very low	30.5	Very low	148 Å²	148	134 Å²	134	78%	0.775	72%	0.724	S	S	*	*				76.9	108.5	122.4	-71.1	168	0	0	0	122.2
1589	S	24.9	Very low	30.8	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	73%	0.727	S	S	*	*				76.5	144.5	127.3	72.6	0	0	0	0	120.7
1590	S	27.1	Very low	31	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	73%	0.729	S	S	*	*			trans	65.7	151.6	170.8	76.9	0	0	0	0	116
1591	S	27.9	Very low	31	Very low	80 Å²	80	130.1 Å²	130.1	56%	0.559	74%	0.736	S	S	*	*			cis	-169	172.4	-24.8	46.5	0	0	0	0	108.6
1592	F	31.4	Very low	31.2	Very low	191 Å²	191	129.5 Å²	129.5	84%	0.838	74%	0.742	S	S	*	*			trans	70.3	148.6	177.5	-51.1	-76.1	0	0	0	115.2
1593	A	35.4	Very low	31.4	Very low	76 Å²	76	124.8 Å²	124.8	63%	0.628	73%	0.733	S	S	*	*			cis	-134.7	153.7	-0.1	0	0	0	0	0	111.3
1594	D	36.5	Very low	31.6	Very low	148 Å²	148	126.9 Å²	126.9	79%	0.791	74%	0.736	S	S	*	*			trans	35.1	137.1	131.9	-48.6	-18.7	0	0	0	119.8
1595	S	35.1	Very low	31.2	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	73%	0.728	S	S	*	*			cis	-162.5	155.4	-3.4	47	0	0	0	0	107.1
1596	G	33.5	Very low	31.4	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	73%	0.726	S	S	*	*				80.7	162.4	52.8	0	0	0	0	0	109.9
1597	V	35.7	Very low	31.7	Very low	126 Å²	126	123.9 Å²	123.9	76%	0.764	74%	0.736	S	S	*	*			cis	-151.9	131.3	4.4	174.9	0	0	0	0	104.3
1598	D	25.3	Very low	31.6	Very low	140 Å²	140	124.9 Å²	124.9	75%	0.749	74%	0.741	S	S	*	*			cis	79.6	86.4	36.4	-125.8	22.9	0	0	0	115
1599	L	35.3	Very low	31.8	Very low	144 Å²	144	124.1 Å²	124.1	75%	0.754	74%	0.737	S	S	*	*			trans	67.9	175.1	169.1	-67.1	103.5	0	0	0	115.7
1600	P	34.8	Very low	32.3	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	74%	0.737	S	S	*	*			cis	-129.7	-175.4	2.6	43.2	-26.9	0	0	0	116.4
1601	N	28.9	Very low	32.6	Very low	144 Å²	144	128 Å²	128	77%	0.77	73%	0.734	S	S	*	*			trans	-79.6	145.1	168.5	-57.9	-52.3	0	0	0	111.6
1602	T	32.5	Very low	32.9	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	74%	0.738	S	S	*	*				172.1	133.2	94.7	43	0	0	0	0	114.7
1603	S	33.9	Very low	33	Very low	91 Å²	91	127 Å²	127	64%	0.636	73%	0.727	S	S	*	*			trans	61.7	116.8	144.5	63.5	0	0	0	0	123.7
1604	N	33.9	Very low	33	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	73%	0.728	S	S	*	*			trans	76.6	150	134.4	-55.5	1.1	0	0	0	118.6
1605	L	31.3	Very low	32.8	Very low	129 Å²	129	128 Å²	128	68%	0.675	72%	0.721	S	S	*	*			cis	-146.5	155	10.8	-160.8	77.9	0	0	0	111.7
1606	E	30.2	Very low	32.7	Very low	164 Å²	164	130.5 Å²	130.5	77%	0.766	72%	0.718	S	S	*	*			trans	45.3	138.5	152.8	-82.3	161.4	-165.7	0	0	123.5
1607	S	34.4	Very low	32.6	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	71%	0.713	S	S	*	*			trans	-77.9	127.6	142	54.9	0	0	0	0	107.8
1608	D	27.3	Very low	32.4	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	71%	0.708	S	S	*	*				-85.5	162.7	68	-108.8	-36.2	0	0	0	119.1
1609	I	33.5	Very low	32.4	Very low	132 Å²	132	130.9 Å²	130.9	68%	0.677	71%	0.708	S	S	*	*			trans	70.7	94.6	149.5	-68.4	168.9	0	0	0	119.8
1610	I	34.3	Very low	32.9	Very low	134 Å²	134	129 Å²	129	69%	0.687	71%	0.705	S	S	*	*				78	122.9	116	-76.1	169.9	0	0	0	122.3
1611	E	33.1	Very low	32.7	Very low	159 Å²	159	130.6 Å²	130.6	74%	0.743	71%	0.705	S	S	*	*			trans	70.4	149.8	147.2	-75.6	-179.7	-150.7	0	0	121.8
1612	H	34.4	Very low	32.7	Very low	138 Å²	138	131.5 Å²	131.5	64%	0.639	71%	0.705	S	S	*	*			cis	-165.4	149	-18.5	-127.1	-20.9	0	0	0	111.7
1613	N	34.3	Very low	32.6	Very low	113 Å²	113	131 Å²	131	60%	0.604	70%	0.696	S	S	*	*			trans	66.5	155.1	140	-66.4	-14	0	0	0	121.5
1614	L	34.4	Very low	32.3	Very low	124 Å²	124	136.2 Å²	136.2	65%	0.649	70%	0.702	S	S	*	*			cis	-165.4	138.5	-9.2	-108.4	165.8	0	0	0	111.9
1615	N	32.9	Very low	32.2	Very low	121 Å²	121	134.1 Å²	134.1	65%	0.647	70%	0.695	S	S	*	*			trans	50.7	159.7	136.8	-75.3	6.9	0	0	0	124.6
1616	K	33.5	Very low	32.2	Very low	158 Å²	158	138 Å²	138	69%	0.687	70%	0.7	S	S	*	*			cis	-174.6	158.4	-21.4	-108.3	-174.1	-176.2	-175.5	0	113.9
1617	N	31.8	Very low	32.3	Very low	112 Å²	112	137 Å²	137	60%	0.599	70%	0.699	S	S	*	*			trans	72.4	126.2	137.8	-72.3	36.8	0	0	0	127
1618	D	30.9	Very low	32.2	Very low	124 Å²	124	136 Å²	136	66%	0.663	69%	0.692	S	S	*	*				76.7	109.7	121.5	-55.6	-17.2	0	0	0	126.7
1619	S	25.8	Very low	32.5	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	69%	0.69	S	S	*	*				46.5	162.9	93.1	-50.5	0	0	0	0	122.5
1620	P	44.5	Very low	32.5	Very low	105 Å²	105	135.7 Å²	135.7	68%	0.682	69%	0.69	S	S	*	*			cis	-144.6	-156	-43.2	41.1	-20.8	0	0	0	114.5
1621	I	31	Very low	32.5	Very low	152 Å²	152	136.6 Å²	136.6	78%	0.779	70%	0.695	S	S	*	*			trans	76.1	160	162.5	-69.9	160.8	0	0	0	116.9
1622	E	30	Very low	32.1	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	70%	0.7	S	S	*	*				-157.9	-155	-53.8	-82	-153	88.6	0	0	106.9
1623	I	28.5	Very low	32.6	Very low	116 Å²	116	138.3 Å²	138.3	60%	0.595	70%	0.703	S	S	*	*			cis	-165	166.3	3.4	-153.4	175	0	0	0	113.1
1624	R	29.2	Very low	32.5	Very low	200 Å²	200	139.3 Å²	139.3	76%	0.755	71%	0.707	S	S	*	*			trans	91.1	106.8	148.6	-89	175.6	-173.6	180	3	125.9
1625	T	31.5	Very low	32.5	Very low	106 Å²	106	139.7 Å²	139.7	65%	0.65	71%	0.705	S	S	*	*				70.5	162.9	126.4	56.4	0	0	0	0	121.6
1626	R	30.9	Very low	32.4	Very low	210 Å²	210	143.1 Å²	143.1	79%	0.792	71%	0.709	S	S	*	*			cis	-148.3	137.9	13.6	-122.1	132.6	-173.2	-119.8	2.1	109.6
1627	I	31.2	Very low	32.5	Very low	144 Å²	144	141.7 Å²	141.7	74%	0.738	71%	0.713	S	S	*	*				63.1	132.5	93.1	-65.8	-177.9	0	0	0	114.4
1628	S	32.4	Very low	32.6	Very low	94 Å²	94	140.7 Å²	140.7	66%	0.657	72%	0.716	S	S	*	*			cis	-149.6	-140.5	-10.7	44.8	0	0	0	0	108.7
1629	N	33.9	Very low	33	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	72%	0.722	S	S	*	*			cis	-167.2	177.7	5	-134.9	3.5	0	0	0	106.9
1630	I	33.6	Very low	33.5	Very low	134 Å²	134	138.2 Å²	138.2	69%	0.687	72%	0.718	S	S	*	*			cis	-157.6	151	-7.9	-152.7	176	0	0	0	106
1631	I	34.3	Very low	33.5	Very low	153 Å²	153	143.1 Å²	143.1	79%	0.785	75%	0.75	S	S	*	*				-157.9	149.9	87.7	-73.2	176.1	0	0	0	108.1
1632	R	26.1	Very low	33.7	Very low	223 Å²	223	142.7 Å²	142.7	84%	0.842	75%	0.749	S	S	*	*			trans	-144.3	-149.4	174.6	-56.8	177.4	168.2	-177.8	-4.9	108
1633	P	43.9	Very low	33.9	Very low	109 Å²	109	141.7 Å²	141.7	71%	0.708	75%	0.748	S	S	*	*			cis	-118.7	-162.7	-33.4	20.7	4.7	0	0	0	111.1
1634	I	33.1	Very low	34.2	Very low	134 Å²	134	143.1 Å²	143.1	69%	0.687	76%	0.757	S	S	*	*				-169.7	121.9	55.6	-79.4	177	0	0	0	108.4
1635	E	33.3	Very low	34.4	Very low	133 Å²	133	139.8 Å²	139.8	62%	0.621	76%	0.757	S	S	*	*				68.1	153.3	103.1	-50.6	-161.7	113.3	0	0	117.2
1636	R	31.4	Very low	34.6	Very low	192 Å²	192	141.9 Å²	141.9	73%	0.725	76%	0.763	S	S	*	*			cis	-165.1	160.1	5.8	-132	173.8	-134.8	174.5	11.8	112.3
1637	V	34.5	Very low	34.9	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	76%	0.761	S	S	*	*			trans	38.8	138.7	136.5	157.9	0	0	0	0	121.2
1638	S	34.9	Very low	35.1	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	76%	0.763	S	S	*	*			cis	-174.6	-173.7	-10.4	63.4	0	0	0	0	112.9
1639	S	39.9	Very low	35.4	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	77%	0.771	S	S	*	*			trans	74.7	141.6	152.8	36.8	0	0	0	0	121.7
1640	G	35.9	Very low	35.5	Very low	65 Å²	65	140.5 Å²	140.5	67%	0.67	78%	0.775	S	S	*	*			trans	-93.1	-145.1	176.9	0	0	0	0	0	114.2
1641	P	45	Very low	35.7	Very low	208 Å²	208	141.1 Å²	141.1	100%	1.351	78%	0.783	S	S	*	*			cis	-74.2	0	21.3	31	-37.9	0	0	0	115.7

Retrieved 1,641 of 1,641 residues in 1476 ms (Link to these results)

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