A0A096LXT7_POEFO Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A096LXT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,250 aa.

						>A0A096LXT7_POEFO|A0A096LXT7
MTVKEEQKLFLQPRAPDASSPPLLHPTLHPPATDMTLGTMSGSESSSAVSFCSCCGAKMVPYFNDDAVVSKNQINQFISESFLTVKGAALFLPRGKSPTSNSAPRISQRRNKHTGDLQKHLQTMFTVLRPEDTIRLAVRLESAYPQVTRYMVVVSTNGRQDTEESIVLGIDFISSDSCCTVGLVLPLWSDTLIHLDGDGGFSVSTVNRVHVFKPVSVQAMWSALQSLHKACEVARCHNYYPGSLFLTWVSYYQSRVSSSQFCVNEWNAMQDVESHRANSPILFTDLPTERERIERLIKMRLREIMMQKDLENVTSKEIRTELEMQMACNLREFKEFIDNEMIVILGQMDSPTEIFDHVFLGSEWNASNLEELQNSGVRYILNVTREIDNFFPGMFEYHNIRVYDEEATNLLEYWNDTYKFITKAKKAGAKCLVHCKMGVSRSASTVIAYAMKEYGWDLDTAFDYVKERRTVTKPNPSFMKQLEEYQGILLASKQRHNKLWRSHSDSDLSDRPDSMCKPSSPMLRRADSHNNNTTSSPSLHHFLGVAVLQALGAEPSAKSRSSDLHALSNGIGESPLQEGPRLPLPRPRAATVIPEEKLDSWASIAVTVPAALPHPPPSLHILPPTPELHRRAPSTLQSDSEKCKPVEPSLSFPGTHSSEEISALNRGSGDDSDALQESPSDSSGEQTPLCPAAAATAHPLPLTLSDDNNNPSEPLTGSASDSSPNHSPSDGSSNHSSDSIDFFSAREKFVGLAQEPEQLQQRLAPAQEGDAQVKGEEEPEDGRSQSEDGSDQTRLYHHDNGISVRHIVIEIEAISHSAFPPSSSTSSSSSSSSSLPSSSLSSQPVQQDHQAEPEPPLLPLSSSPPSSPSWLPGDRQAGSVRRATKQLEQKLRLELEQAVAQRSPLHSPGTEPPPLRPAPSSLTPELPPLLDSRDLAEQTLTQEENMAKEAKEPNGCPDTHISRVPADIMLTSSLTSTAELQSSLHTSARSSRLDHPNSQSTQRPAALNLDGVTAEETETDGCPQDGCPQDGCGRRCGPGCDAQSRLTRSSRELDRIQRTLRELQAFLQDGVGQDGLTDTMDTKLGRPRGSEAARQRRKEKAESRGLGAPPSWQRTLELEARMRQAGLTPPSLMKRSASLAKLDCLELSANDLCDLDLTPPSSSSSSSCQDSSHPDDTWKKQKVLSLNPSPADSPSPPSHSSSSRDSEGAETDGLSSGASPSSQQGRGHSSRRRKASAERRRAVALLYNTM
					

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Loading PAE data...

(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	31.5	Very low	29.6	Very low	241 Å²	241	158.5 Å²	158.5	100%	1.187	78%	0.783	S	S	*	*				0	124.8	0	-75.5	176.6	176.2	0	0	108
2	T	24.8	Very low	29.4	Very low	133 Å²	133	159.9 Å²	159.9	82%	0.816	79%	0.786	S	S	*	*			cis	-153.8	149	-11.4	-47.5	0	0	0	0	108.2
3	V	33.8	Very low	30.7	Very low	127 Å²	127	155.7 Å²	155.7	77%	0.77	78%	0.778	S	S	*	*			trans	-87.8	145.4	-179.2	172.2	0	0	0	0	111
4	K	28.3	Very low	30.2	Very low	147 Å²	147	162.2 Å²	162.2	64%	0.639	79%	0.789	S	S	*	*				-166.5	143.3	130	-97.3	-176	168	-73.1	0	109.7	E6	K4-E6 IonicContact NZ-OE2 3.51Å; K4-E6 PolarHBondContact NZ-OE2 3.49Å
5	E	35.4	Very low	30.2	Very low	144 Å²	144	157 Å²	157	67%	0.673	78%	0.783	S	S	*	*			cis	71.3	145.2	47.3	-128.7	-173.2	-171.6	0	0	110.5
6	E	32.8	Very low	30.8	Very low	130 Å²	130	155.1 Å²	155.1	61%	0.607	79%	0.785	S	S	*	*			cis	-153.2	167.2	25.9	-83.1	176.1	68.4	0	0	109.5	K4	K4-E6 IonicContact NZ-OE2 3.51Å; K4-E6 PolarHBondContact NZ-OE2 3.49Å
7	Q	28.5	Very low	30.5	Very low	124 Å²	124	155.4 Å²	155.4	58%	0.579	79%	0.789	S	S	*	*			cis	-177.5	142	-18.8	-174.2	-166.1	139.2	0	0	110.3
8	K	30.9	Very low	30.3	Very low	170 Å²	170	151.9 Å²	151.9	74%	0.739	79%	0.788	S	S	*	*			trans	67.6	145.9	157.3	-92.6	174.4	-170.2	141.7	0	123.2
9	L	25.6	Very low	30	Very low	166 Å²	166	150.6 Å²	150.6	87%	0.869	79%	0.793	S	S	*	*				-168.1	174.3	97.7	-112.8	166	0	0	0	113.7
10	F	28.4	Very low	29.9	Very low	191 Å²	191	148.7 Å²	148.7	84%	0.838	79%	0.793	S	S	*	*			trans	-144	145.5	-165.7	-136.5	-87.8	0	0	0	108.9
11	L	25.2	Very low	30.9	Very low	171 Å²	171	146.9 Å²	146.9	90%	0.895	79%	0.79	S	S	*	*			trans	175.2	160.7	147	-99.5	160.9	0	0	0	114.3
12	Q	27	Very low	31.3	Very low	175 Å²	175	141 Å²	141	82%	0.818	77%	0.769	S	S	*	*			trans	-129.7	177.8	170.7	-124	-174.9	9.9	0	0	106.3
13	P	47.4	Very low	31.4	Very low	105 Å²	105	141.8 Å²	141.8	68%	0.682	77%	0.768	S	S	*	*			cis	-139.1	-159.7	-3.6	38.1	-15.8	0	0	0	114.2
14	R	23.4	Very low	31	Very low	247 Å²	247	144 Å²	144	93%	0.932	77%	0.774	S	S	*	*			trans	90.4	150.8	147.8	-139	174.4	-165.6	161.7	3.8	118.8
15	A	30.7	Very low	31	Very low	84 Å²	84	144.1 Å²	144.1	69%	0.694	78%	0.777	S	S	*	*			trans	-114.9	167	179.4	0	0	0	0	0	112
16	P	38.5	Very low	31.1	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	78%	0.783	S	S	*	*			trans	-134	173.5	149.4	39.5	-26.5	0	0	0	114.1
17	D	25.7	Very low	30.8	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	78%	0.782	S	S	*	*			trans	-92.1	158.6	-169.2	-60.2	-83.6	0	0	0	117.2
18	A	26.9	Very low	30.7	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	80%	0.797	S	S	*	*			trans	38.8	125.9	141.6	0	0	0	0	0	123.1
19	S	25.3	Very low	30.5	Very low	128 Å²	128	143.9 Å²	143.9	90%	0.895	80%	0.8	S	S	*	*				-166.5	153.3	127.8	19.4	0	0	0	0	112.6
20	S	27.3	Very low	31.4	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	79%	0.79	S	S	*	*			trans	-130.4	-175.2	-175.7	-26.6	0	0	0	0	109.6
21	P	51.3	Low	31.6	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	79%	0.79	S	S	*	*			cis	-122.6	-147.1	-15.9	38.8	-17.2	0	0	0	109.7
22	P	40.8	Very low	31.7	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	78%	0.784	S	S	*	*				-139.2	143	51.8	36.7	-16	0	0	0	118.1
23	L	25.7	Very low	31.8	Very low	149 Å²	149	132 Å²	132	78%	0.78	78%	0.783	S	S	*	*			trans	24.2	127.6	137	-58.8	167.4	0	0	0	121
24	L	26.5	Very low	30.7	Very low	173 Å²	173	134.2 Å²	134.2	91%	0.906	79%	0.789	S	S	*	*				-164.5	148.9	101.8	-102.3	168.3	0	0	0	113.4
25	H	27.9	Very low	30.7	Very low	150 Å²	150	131 Å²	131	69%	0.694	79%	0.787	S	S	*	*			trans	-93.6	163	173.9	-101	-95.7	0	0	0	109.8	T27	H25-T27 PolarHBondContact ND1-OG1 3.2Å
26	P	38.2	Very low	30.5	Very low	122 Å²	122	132.6 Å²	132.6	79%	0.792	79%	0.788	S	S	*	*			cis	-131.8	158.5	49.5	38.1	-20.5	0	0	0	114.9
27	T	25.2	Very low	29.7	Very low	96 Å²	96	134.4 Å²	134.4	59%	0.589	79%	0.79	S	S	*	*			cis	72.2	104.7	47.1	-41	0	0	0	0	115.1	H25	H25-T27 PolarHBondContact ND1-OG1 3.2Å
28	L	26.2	Very low	29.7	Very low	174 Å²	174	130.4 Å²	130.4	91%	0.911	79%	0.787	S	S	*	*			trans	-157.1	151	142.6	-110.9	167.3	0	0	0	109.7
29	H	28.1	Very low	29.5	Very low	171 Å²	171	131.8 Å²	131.8	79%	0.792	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-103.8	164.4	-168.7	-113.6	-120.1	0	0	0	112.5
30	P	44.4	Very low	29.4	Very low	101 Å²	101	133.5 Å²	133.5	66%	0.656	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-86.2	168.6	178.6	37.5	-36.1	0	0	0	112.5
31	P	32.2	Very low	29.3	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.2	131.2	157.8	34.2	-27.4	0	0	0	111.3
32	A	27.9	Very low	28	Very low	92 Å²	92	132 Å²	132	76%	0.76	79%	0.786	S	S	*	*			trans	-135.3	129	163.2	0	0	0	0	0	108.9
33	T	28.5	Very low	27.2	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	79%	0.788	S	S	*	*			trans	-154	109	171.8	48	0	0	0	0	106.2
34	D	24.7	Very low	27.1	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	80%	0.795	S	S	*	*				51.6	103.7	80.9	-79.4	-23	0	0	0	114.4
35	M	23.5	Very low	27.1	Very low	180 Å²	180	131 Å²	131	89%	0.887	79%	0.787	S	S	*	*				-168	130.5	95	-96.8	-158.3	-69.2	0	0	115.2
36	T	25.5	Very low	26.9	Very low	117 Å²	117	128.8 Å²	128.8	72%	0.718	79%	0.788	S	S	*	*			trans	-17.9	156.5	157.3	-15.6	0	0	0	0	122.3
37	L	22.8	Very low	26.4	Very low	164 Å²	164	128 Å²	128	86%	0.859	79%	0.785	S	S	*	*			trans	83.5	121.4	145.4	-94.5	155.9	0	0	0	120.9
38	G	23.9	Very low	26.3	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	80%	0.799	S	S	*	*			trans	173.7	122.7	166.2	0	0	0	0	0	111.8
39	T	24.2	Very low	26.3	Very low	122 Å²	122	126 Å²	126	75%	0.748	79%	0.791	S	S	*	*			trans	-118.9	174.9	-174.6	-21.5	0	0	0	0	111.5
40	M	23.5	Very low	26.1	Very low	163 Å²	163	123.6 Å²	123.6	80%	0.803	79%	0.793	S	S	*	*			trans	83.8	123.6	-176.3	-50.6	-81.5	79.4	0	0	112.5
41	S	23.8	Very low	25.1	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	80%	0.802	S	S	*	*			cis	83.1	114.4	49.3	-174.9	0	0	0	0	112.4
42	G	24.7	Very low	24.7	Very low	76 Å²	76	127.7 Å²	127.7	78%	0.784	80%	0.802	S	S	*	*			trans	152.7	119.9	177.9	0	0	0	0	0	111.8
43	S	24.8	Very low	24.6	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	80%	0.796	S	S	*	*			trans	-82.5	138.6	163.5	52.1	0	0	0	0	109.7
44	E	23.5	Very low	24.5	Very low	198 Å²	198	127.7 Å²	127.7	93%	0.925	80%	0.801	S	S	*	*			trans	-163.1	177.9	139.9	-120.8	167.3	-151.1	0	0	113.5
45	S	24.7	Very low	24.8	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	81%	0.805	S	S	*	*			trans	-101.8	157.6	-165.1	55.8	0	0	0	0	114
46	S	25.2	Very low	24.9	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	80%	0.802	S	S	*	*			trans	73.9	128.1	154.1	-157	0	0	0	0	120.1
47	S	27.3	Very low	24.9	Very low	104 Å²	104	121.4 Å²	121.4	73%	0.727	81%	0.808	S	S	*	*			trans	49.8	99.8	141.3	62.5	0	0	0	0	119.8
48	A	23.6	Very low	25	Very low	106 Å²	106	123.3 Å²	123.3	88%	0.876	81%	0.81	S	S	*	*			trans	-124.3	113.4	149.7	0	0	0	0	0	109.6
49	V	25.1	Very low	25	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	82%	0.815	S	S	*	*			trans	-97.5	130.5	171.1	177.7	0	0	0	0	108.1	F51	V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE2 4.29Å
50	S	23.8	Very low	24.9	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	81%	0.812	S	S	*	*			trans	-114	143.8	166.3	57.2	0	0	0	0	110
51	F	24.2	Very low	25	Very low	189 Å²	189	124.5 Å²	124.5	83%	0.829	80%	0.801	S	S	*	*			trans	-133.6	134	-166.9	-125	-78.1	0	0	0	110.7	V49	V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE2 4.29Å
52	C	22.9	Very low	25.1	Very low	127 Å²	127	129 Å²	129	86%	0.858	80%	0.802	S	S	*	*			trans	-151.8	89.7	163.9	-173.7	0	0	0	0	107.8
53	S	26.2	Very low	25.1	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	80%	0.799	S	S	*	*				86.5	77.7	62.5	-173.1	0	0	0	0	114.1
54	C	26.3	Very low	25.1	Very low	133 Å²	133	133.9 Å²	133.9	90%	0.899	79%	0.793	S	S	*	*			trans	-150.6	144.7	135	-99.7	0	0	0	0	108
55	C	31.5	Very low	25.2	Very low	134 Å²	134	131.7 Å²	131.7	91%	0.905	79%	0.788	S	S	*	*			trans	-108.6	158	-161.1	-54.9	0	0	0	0	113.5
56	G	25.3	Very low	25.4	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	79%	0.792	S	S	*	*			cis	155.8	143.2	-9.8	0	0	0	0	0	113.7
57	A	25.9	Very low	25.6	Very low	102 Å²	102	132.6 Å²	132.6	84%	0.843	79%	0.787	S	S	*	*			trans	-146.3	123.5	166.3	0	0	0	0	0	108.8
58	K	23.7	Very low	26	Very low	205 Å²	205	133.5 Å²	133.5	89%	0.891	79%	0.788	S	S	*	*			trans	-87.3	109.9	178.7	-75.5	-175.5	176.9	-179.3	0	110.2
59	M	23.9	Very low	27	Very low	185 Å²	185	131.3 Å²	131.3	91%	0.911	76%	0.764	S	S	*	*			trans	-113.3	113.8	147.1	-77.4	-157.5	-69.8	0	0	108.4
60	V	23.4	Very low	27.8	Very low	114 Å²	114	127.8 Å²	127.8	69%	0.691	74%	0.744	S	S	*	*			trans	-88.1	118.3	164.3	176.5	0	0	0	0	106.1	Y62	V60-Y62 PolarHBondContact O-N 2.81Å
61	P	25.4	Very low	28.7	Very low	88 Å²	88	128.7 Å²	128.7	57%	0.571	73%	0.733	S	S	*	*			trans	-67.9	116.7	167.4	28.3	-31.2	0	0	0	108.2	F63	P61-F63 HydrophobicContact CB-CE2 4.26Å; P61-F63 HydrophobicContact CG-CD2 4.42Å; P61-F63 HydrophobicContact CG-CE2 3.81Å; P61-F63 HydrophobicContact CG-CZ 4.37Å; P61-F63 PolarHBondContact O-N 3.3Å; P61-F63 VanDerWaalsContact O-N 3.14Å
62	Y	24.8	Very low	29.3	Very low	210 Å²	210	125.7 Å²	125.7	82%	0.824	73%	0.726	S	S	*	*			trans	-68.5	105.4	162.1	-99.5	-97.6	0	0	0	107.5	V60 N64	V60-Y62 PolarHBondContact O-N 2.81Å; Y62-N64 PolarHBondContact O-N 2.87Å
63	F	25.1	Very low	30.4	Very low	164 Å²	164	124.2 Å²	124.2	72%	0.719	71%	0.706	S	S	*	*			trans	-74.2	118.1	163.3	-70.1	-85.4	0	0	0	107.9	P61	P61-F63 HydrophobicContact CB-CE2 4.26Å; P61-F63 HydrophobicContact CG-CD2 4.42Å; P61-F63 HydrophobicContact CG-CE2 3.81Å; P61-F63 HydrophobicContact CG-CZ 4.37Å; P61-F63 PolarHBondContact O-N 3.3Å; P61-F63 VanDerWaalsContact O-N 3.14Å
64	N	26	Very low	31.6	Very low	130 Å²	130	120.6 Å²	120.6	70%	0.695	68%	0.68	S	S	*	*			trans	-95.6	110.1	160.3	-81.9	1	0	0	0	106.7	Y62 D66	Y62-N64 PolarHBondContact O-N 2.87Å; N64-D66 PolarHBondContact O-N 3.29Å
65	D	24.8	Very low	32.5	Very low	153 Å²	153	117.9 Å²	117.9	82%	0.818	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-6.5	-175.9	-71.8	-56.7	0	0	0	114.3
66	D	29	Very low	33	Very low	151 Å²	151	116.6 Å²	116.6	81%	0.807	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	30.1	-179.1	-79.9	-56.3	0	0	0	114.6	N64 V68	N64-D66 PolarHBondContact O-N 3.29Å; D66-V68 PolarHBondContact O-N 2.67Å
67	A	30.2	Very low	33.9	Very low	76 Å²	76	118.1 Å²	118.1	63%	0.628	62%	0.622	S	S	*	*			trans	-77.7	42.1	176	0	0	0	0	0	113.8	V69	A67-V69 PolarHBondContact O-N 3.24Å; A67-V69 VanDerWaalsContact O-N 3.09Å
68	V	35.3	Very low	35	Very low	124 Å²	124	113.5 Å²	113.5	75%	0.752	58%	0.583	S	S	*	*			trans	-69.7	105.5	179.3	-178.5	0	0	0	0	110	D66 S70	D66-V68 PolarHBondContact O-N 2.67Å; V68-S70 PolarHBondContact O-N 3.31Å; V68-S70 VanDerWaalsContact O-N 3.12Å
69	V	43.4	Very low	35.9	Very low	59 Å²	59	107.9 Å²	107.9	36%	0.358	57%	0.569	S	S	.	*			trans	-57.3	118.3	177.7	-176.8	0	0	0	0	109.4	A67 Q73 I74	A67-V69 PolarHBondContact O-N 3.24Å; A67-V69 VanDerWaalsContact O-N 3.09Å; V69-Q73 HydrophobicContact CG1-CB 4.02Å; V69-I74 HydrophobicContact CG1-CG1 3.9Å
70	S	43.6	Very low	36.6	Very low	50 Å²	50	103.9 Å²	103.9	35%	0.35	55%	0.548	S	S	.	.			trans	-64	143.5	-171.2	67.6	0	0	0	0	111.6	V68 N72 Q73 I74	V68-S70 PolarHBondContact O-N 3.31Å; V68-S70 VanDerWaalsContact O-N 3.12Å; S70-N72 PolarHBondContact O-N 3.01Å; S70-Q73 WeakPolarHBondContact O-CA 3.41Å; S70-Q73 WeakPolarHBondContact O-CB 3.45Å; S70-Q73 PolarHBondContact O-N 2.74Å; S70-Q73 WeakPolarHBondContact OG-CG 3.3Å; S70-Q73 PolarHBondContact OG-N 3.25Å; S70-Q73 PolarHBondContact OG-OE1 2.86Å; S70-I74 PolarHBondContact O-N 3.16Å
71	K	40.8	Very low	37.7	Very low	139 Å²	139	101.9 Å²	101.9	60%	0.604	54%	0.539	S	S	*	.	H	α-helix	trans	-55.1	-27.4	177.7	-166.8	167.4	-174.6	169.2	0	112.7	N75	K71-N75 WeakPolarHBondContact O-CB 3.41Å; K71-N75 PolarHBondContact O-N 3.21Å; K71-N75 PolarHBondContact O-ND2 3.34Å
72	N	38	Very low	38.5	Very low	126 Å²	126	100.4 Å²	100.4	67%	0.674	52%	0.524	S	S	*	.	H	α-helix	trans	-72.3	-38.8	174.5	-67.5	-13.1	0	0	0	113	S70 N75 Q76	S70-N72 PolarHBondContact O-N 3.01Å; N72-N75 PolarHBondContact O-N 3.03Å; N72-Q76 WeakPolarHBondContact O-CB 3.15Å; N72-Q76 PolarHBondContact O-N 3.45Å
73	Q	45.6	Very low	39.5	Very low	96 Å²	96	95.2 Å²	95.2	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-42.1	170.7	-77.8	164	-46.2	0	0	111.4	V69 S70 N75 Q76 F77	V69-Q73 HydrophobicContact CG1-CB 4.02Å; S70-Q73 WeakPolarHBondContact O-CA 3.41Å; S70-Q73 WeakPolarHBondContact O-CB 3.45Å; S70-Q73 PolarHBondContact O-N 2.74Å; S70-Q73 WeakPolarHBondContact OG-CG 3.3Å; S70-Q73 PolarHBondContact OG-N 3.25Å; S70-Q73 PolarHBondContact OG-OE1 2.86Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 3.15Å; Q73-Q76 WeakPolarHBondContact O-CA 3.24Å; Q73-Q76 WeakPolarHBondContact O-CB 3.37Å; Q73-Q76 PolarHBondContact O-N 2.73Å; Q73-F77 HydrophobicContact CB-CE2 4.33Å; Q73-F77 WeakPolarHBondContact O-CD2 3.39Å; Q73-F77 PolarHBondContact O-N 2.74Å
74	I	51.9	Low	40.8	Very low	15 Å²	15	90.3 Å²	90.3	8%	0.077	49%	0.493	C	S	.	.	H	α-helix	trans	-62	-43.1	175.7	-54.8	175.8	0	0	0	110.4	V69 S70 Q76 F77 I78 Q122 F125	V69-I74 HydrophobicContact CG1-CG1 3.9Å; S70-I74 PolarHBondContact O-N 3.16Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 2.67Å; I74-F77 PolarHBondContact O-N 2.91Å; I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 VanDerWaalsContact O-CG1 3.32Å; I74-I78 WeakPolarHBondContact O-CG1 3.44Å; I74-I78 PolarHBondContact O-N 2.9Å; I74-Q122 HydrophobicContact CG2-CB 4.45Å; I74-Q122 HydrophobicContact CG2-CG 4.07Å; I74-F125 HydrophobicContact CG2-CB 4.24Å; I74-F125 HydrophobicContact CG2-CD2 4.17Å; I74-F125 HydrophobicContact CG2-CG 4.49Å
75	N	44.2	Very low	42	Very low	76 Å²	76	85.5 Å²	85.5	41%	0.406	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-37	172.5	-71.6	-19.2	0	0	0	112.2	K71 N72 Q73 I78 S79 Q122	K71-N75 WeakPolarHBondContact O-CB 3.41Å; K71-N75 PolarHBondContact O-N 3.21Å; K71-N75 PolarHBondContact O-ND2 3.34Å; N72-N75 PolarHBondContact O-N 3.03Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 3.15Å; N75-I78 PolarHBondContact O-N 3.4Å; N75-S79 WeakPolarHBondContact O-CB 3.09Å; N75-S79 PolarHBondContact O-N 3.4Å; N75-S79 PolarHBondContact O-OG 2.92Å; N75-Q122 PolarHBondContact OD1-NE2 2.92Å
76	Q	42.2	Very low	43.2	Very low	107 Å²	107	82 Å²	82	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-68.2	-47.3	176.8	-170	169.5	3.2	0	0	111.9	N72 Q73 I74 I78 S79 E80	N72-Q76 WeakPolarHBondContact O-CB 3.15Å; N72-Q76 PolarHBondContact O-N 3.45Å; Q73-Q76 WeakPolarHBondContact O-CA 3.24Å; Q73-Q76 WeakPolarHBondContact O-CB 3.37Å; Q73-Q76 PolarHBondContact O-N 2.73Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 2.67Å; Q76-I78 PolarHBondContact O-N 2.92Å; Q76-S79 WeakPolarHBondContact CA-OG 3.43Å; Q76-S79 PolarHBondContact O-N 3.4Å; Q76-S79 PolarHBondContact O-OG 3.18Å; Q76-E80 VanDerWaalsContact CG-OE1 3.3Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.26Å; Q76-E80 PolarHBondContact NE2-OE1 2.99Å; Q76-E80 PolarHBondContact O-N 3.47Å
77	F	45.8	Very low	44.5	Very low	111 Å²	111	75.5 Å²	75.5	49%	0.487	42%	0.415	S	S	.	.	H	α-helix	trans	-58	-34.4	173.5	-73.6	-61.3	0	0	0	112.9	Q73 I74	Q73-F77 HydrophobicContact CB-CE2 4.33Å; Q73-F77 WeakPolarHBondContact O-CD2 3.39Å; Q73-F77 PolarHBondContact O-N 2.74Å; I74-F77 PolarHBondContact O-N 2.91Å
78	I	48.6	Very low	46.1	Very low	4 Å²	4	72 Å²	72	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-76.4	-33.7	173.7	-66.9	168.6	0	0	0	111.3	I74 N75 Q76 E80 F82 Q118 Q122 F125	I74-I78 HydrophobicContact CG2-CD1 3.94Å; I74-I78 VanDerWaalsContact O-CG1 3.32Å; I74-I78 WeakPolarHBondContact O-CG1 3.44Å; I74-I78 PolarHBondContact O-N 2.9Å; N75-I78 PolarHBondContact O-N 3.4Å; Q76-I78 PolarHBondContact O-N 2.92Å; I78-E80 VanDerWaalsContact C-N 3.33Å; I78-F82 HydrophobicContact CG2-CE1 3.91Å; I78-F82 HydrophobicContact CG2-CZ 4Å; I78-F82 WeakPolarHBondContact O-CD1 3.35Å; I78-F82 WeakPolarHBondContact O-CE1 3.45Å; I78-Q118 HydrophobicContact CG2-CG 4.11Å; I78-Q122 HydrophobicContact CD1-CB 3.78Å; I78-F125 HydrophobicContact CG1-CE2 4.23Å
79	S	42	Very low	47.7	Very low	87 Å²	87	66.1 Å²	66.1	61%	0.608	35%	0.35	S	S	*	.	H	α-helix	trans	-73	-23.9	177.6	72.3	0	0	0	0	113.9	N75 Q76	N75-S79 WeakPolarHBondContact O-CB 3.09Å; N75-S79 PolarHBondContact O-N 3.4Å; N75-S79 PolarHBondContact O-OG 2.92Å; Q76-S79 WeakPolarHBondContact CA-OG 3.43Å; Q76-S79 PolarHBondContact O-N 3.4Å; Q76-S79 PolarHBondContact O-OG 3.18Å
80	E	38.2	Very low	48.3	Very low	101 Å²	101	66 Å²	66	47%	0.472	35%	0.347	S	S	.	.	S	Bend	trans	-103.4	91.8	-176	-69.6	-179.7	-154	0	0	112	Q76 I78	Q76-E80 VanDerWaalsContact CG-OE1 3.3Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.26Å; Q76-E80 PolarHBondContact NE2-OE1 2.99Å; Q76-E80 PolarHBondContact O-N 3.47Å; I78-E80 VanDerWaalsContact C-N 3.33Å
81	S	46.2	Very low	49.3	Very low	72 Å²	72	64.9 Å²	64.9	50%	0.503	34%	0.336	S	S	.	.	S	Bend	trans	78.8	52.7	157.9	-42.7	0	0	0	0	118.7	L92	S81-L92 PolarHBondContact O-N 3.23Å
82	F	43.6	Very low	49.6	Very low	57 Å²	57	62.8 Å²	62.8	25%	0.25	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.2	160	80.2	-55.9	0	0	0	112.2	I78 T84 A89 L90 F91 L121	I78-F82 HydrophobicContact CG2-CE1 3.91Å; I78-F82 HydrophobicContact CG2-CZ 4Å; I78-F82 WeakPolarHBondContact O-CD1 3.35Å; I78-F82 WeakPolarHBondContact O-CE1 3.45Å; F82-T84 HydrophobicContact CD2-CG2 3.64Å; F82-T84 HydrophobicContact CE2-CG2 3.25Å; F82-T84 HydrophobicContact CZ-CG2 3.99Å; F82-A89 HydrophobicContact CD2-CB 4.3Å; F82-L90 CarbonylContact C-O 3.6Å; F82-L90 WeakPolarHBondContact CA-O 3.43Å; F82-F91 HydrophobicContact CB-CD1 3.81Å; F82-F91 HydrophobicContact CB-CE1 3.83Å; F82-F91 HydrophobicContact CB-CG 4.24Å; F82-F91 HydrophobicContact CB-CZ 4.26Å; F82-F91 HydrophobicContact CG-CE1 4.44Å; F82-L121 HydrophobicContact CD2-CD1 4.02Å; F82-L121 HydrophobicContact CE2-CD1 3.81Å
83	L	44.7	Very low	49.6	Very low	101 Å²	101	61.1 Å²	61.1	53%	0.529	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.3	173.1	-174.3	81.7	0	0	0	108.8	A89 L90	L83-A89 WeakPolarHBondContact O-CA 3.33Å; L83-L90 PolarHBondContact N-O 3.02Å; L83-L90 PolarHBondContact O-N 3.12Å
84	T	52.1	Low	49.2	Very low	61 Å²	61	66.9 Å²	66.9	37%	0.374	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.9	173.5	55.8	0	0	0	0	111.6	F82 L117	F82-T84 HydrophobicContact CD2-CG2 3.64Å; F82-T84 HydrophobicContact CE2-CG2 3.25Å; F82-T84 HydrophobicContact CZ-CG2 3.99Å; T84-L117 HydrophobicContact CG2-CD2 4.35Å
85	V	51.5	Low	48.1	Very low	29 Å²	29	69.2 Å²	69.2	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	157.9	161.6	161.2	0	0	0	0	108.6	G87 A88 Q218	V85-G87 PolarHBondContact O-N 2.91Å; V85-A88 CarbonylContact C-O 3.27Å; V85-A88 HydrophobicContact CB-CB 4.24Å; V85-A88 HydrophobicContact CG1-CB 4.38Å; V85-A88 PolarHBondContact N-O 3.4Å; V85-A88 PolarHBondContact O-N 3.49Å; V85-Q218 HydrophobicContact CG1-CB 4.08Å; V85-Q218 VanDerWaalsContact CG1-CD 3.47Å; V85-Q218 HydrophobicContact CG1-CG 3.75Å; V85-Q218 VanDerWaalsContact CG1-OE1 3.31Å
86	K	50.4	Low	47.3	Very low	81 Å²	81	76.1 Å²	76.1	35%	0.352	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	100	176.6	-161.3	-171	179.8	-161.1	0	110.4	S216 N312	K86-S216 PolarHBondContact O-OG 3.19Å; K86-S216 VanDerWaalsContact O-OG 3.11Å; K86-N312 WeakPolarHBondContact CD-OD1 3.3Å; K86-N312 WeakPolarHBondContact CE-OD1 3.47Å; K86-N312 PolarHBondContact NZ-OD1 3.43Å
87	G	57.4	Low	46.6	Very low	14 Å²	14	75.4 Å²	75.4	14%	0.144	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.5	-3.9	-176.3	0	0	0	0	0	115.4	V85 R139	V85-G87 PolarHBondContact O-N 2.91Å; G87-R139 PolarHBondContact O-N 3.11Å
88	A	62.3	Low	46.1	Very low	2 Å²	2	76.2 Å²	76.2	2%	0.017	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.4	-180	0	0	0	0	0	113.1	V85 A137 V138 A219	V85-A88 CarbonylContact C-O 3.27Å; V85-A88 HydrophobicContact CB-CB 4.24Å; V85-A88 HydrophobicContact CG1-CB 4.38Å; V85-A88 PolarHBondContact N-O 3.4Å; V85-A88 PolarHBondContact O-N 3.49Å; A88-A137 CarbonylContact C-O 3.25Å; A88-A137 WeakPolarHBondContact CA-O 3.37Å; A88-V138 HydrophobicContact CB-CG2 3.79Å; A88-A219 HydrophobicContact CB-CB 4.04Å
89	A	68.6	Low	45.2	Very low	0 Å²	0	81.8 Å²	81.8	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.2	174	0	0	0	0	0	110	F82 L83 F91 L117 L121 L136 A137	F82-A89 HydrophobicContact CD2-CB 4.3Å; L83-A89 WeakPolarHBondContact O-CA 3.33Å; A89-F91 HydrophobicContact CB-CE2 4.48Å; A89-L117 HydrophobicContact CB-CD2 4.4Å; A89-L121 HydrophobicContact CB-CD1 3.85Å; A89-L121 HydrophobicContact CB-CD2 4.37Å; A89-L136 CarbonylContact O-C 3.58Å; A89-L136 WeakPolarHBondContact O-CA 3.29Å; A89-A137 PolarHBondContact N-O 3.43Å; A89-A137 PolarHBondContact O-N 3.34Å
90	L	57.3	Low	44.9	Very low	58 Å²	58	82.7 Å²	82.7	30%	0.304	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.4	178.5	-178.9	74.2	0	0	0	109.8	F82 L83 L136	F82-L90 CarbonylContact C-O 3.6Å; F82-L90 WeakPolarHBondContact CA-O 3.43Å; L83-L90 PolarHBondContact N-O 3.02Å; L83-L90 PolarHBondContact O-N 3.12Å; L90-L136 HydrophobicContact CB-CD1 4.12Å; L90-L136 HydrophobicContact CD1-CB 4.45Å; L90-L136 HydrophobicContact CD1-CD1 4Å
91	F	64.4	Low	44.5	Very low	25 Å²	25	85.1 Å²	85.1	11%	0.11	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.4	178.2	-70.8	-97.9	0	0	0	110.4	F82 A89 L121 F125 I134 R135	F82-F91 HydrophobicContact CB-CD1 3.81Å; F82-F91 HydrophobicContact CB-CE1 3.83Å; F82-F91 HydrophobicContact CB-CG 4.24Å; F82-F91 HydrophobicContact CB-CZ 4.26Å; F82-F91 HydrophobicContact CG-CE1 4.44Å; A89-F91 HydrophobicContact CB-CE2 4.48Å; F91-L121 HydrophobicContact CE2-CD2 4Å; F91-L121 HydrophobicContact CZ-CD1 4.37Å; F91-L121 HydrophobicContact CZ-CD2 4.02Å; F91-F125 HydrophobicContact CE1-CE2 4.35Å; F91-F125 HydrophobicContact CE1-CZ 4.04Å; F91-F125 HydrophobicContact CZ-CE2 4.25Å; F91-F125 HydrophobicContact CZ-CZ 4.15Å; F91-I134 VanDerWaalsContact CB-O 3.26Å; F91-I134 WeakPolarHBondContact CB-O 3.19Å; F91-I134 HydrophobicContact CD2-CB 3.94Å; F91-I134 HydrophobicContact CD2-CG2 3.62Å; F91-I134 HydrophobicContact CE2-CB 3.92Å; F91-I134 HydrophobicContact CE2-CG2 3.59Å; F91-R135 PolarHBondContact N-O 3.33Å
92	L	45.8	Very low	43.7	Very low	96 Å²	96	87.3 Å²	87.3	50%	0.503	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-81.1	140.3	-177.7	-59.5	176.7	0	0	0	110.8	S81 R94	S81-L92 PolarHBondContact O-N 3.23Å; L92-R94 PolarHBondContact O-N 3.36Å
93	P	38.1	Very low	43	Very low	91 Å²	91	89.2 Å²	89.2	59%	0.591	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.2	131.4	177.5	-25	35	0	0	0	112.8	G95	P93-G95 PolarHBondContact O-N 3.13Å
94	R	37.2	Very low	42.4	Very low	217 Å²	217	89.6 Å²	89.6	82%	0.819	53%	0.529	S	S	*	.			trans	-63.5	104.2	179	-171.9	-179.9	-169.5	173.8	6	111.6	L92	L92-R94 PolarHBondContact O-N 3.36Å
95	G	29.8	Very low	41.4	Very low	64 Å²	64	98.6 Å²	98.6	66%	0.66	56%	0.556	S	S	*	*			trans	-62.7	132.7	170.1	0	0	0	0	0	111.3	P93 S97	P93-G95 PolarHBondContact O-N 3.13Å; G95-S97 PolarHBondContact O-N 3.28Å
96	K	27.7	Very low	40.4	Very low	221 Å²	221	104.3 Å²	104.3	96%	0.961	58%	0.584	S	S	*	*			trans	-78.9	83.8	177.5	-68.9	-178.5	179.7	176.7	0	110.5
97	S	27.6	Very low	39.3	Very low	91 Å²	91	105.5 Å²	105.5	64%	0.636	60%	0.603	S	S	*	*			trans	-141	129.2	168.6	-171.9	0	0	0	0	111.4	G95 T99	G95-S97 PolarHBondContact O-N 3.28Å; S97-T99 PolarHBondContact O-N 3.45Å
98	P	34.3	Very low	38.3	Very low	129 Å²	129	113.3 Å²	113.3	84%	0.838	64%	0.635	S	S	*	*			trans	-97	80.1	-178.1	36.8	-32.9	0	0	0	112.5
99	T	30.3	Very low	36.7	Very low	120 Å²	120	124.7 Å²	124.7	74%	0.736	68%	0.678	S	S	*	*			trans	-135.3	107.4	169.1	50.6	0	0	0	0	111.1	S97	S97-T99 PolarHBondContact O-N 3.45Å
100	S	35.8	Very low	34.8	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	72%	0.719	S	S	*	*			trans	-71.9	162.9	166.9	-170.3	0	0	0	0	110.8
101	N	30.6	Very low	33.9	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	73%	0.725	S	S	*	*			trans	83	62.2	166.7	-51.4	-4.5	0	0	0	118
102	S	28.5	Very low	32.7	Very low	119 Å²	119	144.2 Å²	144.2	83%	0.832	76%	0.758	S	S	*	*			trans	-158.8	102.1	133.4	47.6	0	0	0	0	111.9	P104	S102-P104 WeakPolarHBondContact O-CD 3.41Å
103	A	29.1	Very low	32.6	Very low	96 Å²	96	145 Å²	145	79%	0.793	76%	0.759	S	S	*	*			trans	-81	120.5	173.3	0	0	0	0	0	110.2	R105	A103-R105 PolarHBondContact O-N 3.39Å
104	P	31.6	Very low	33.1	Very low	109 Å²	109	143.6 Å²	143.6	71%	0.708	75%	0.748	S	S	*	*			trans	-70.3	128.4	176.4	28.6	-33.3	0	0	0	110.4	S102 I106	S102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-I106 VanDerWaalsContact C-N 3.34Å; P104-I106 PolarHBondContact O-N 2.86Å
105	R	30.6	Very low	34	Very low	250 Å²	250	134.9 Å²	134.9	94%	0.943	73%	0.726	S	S	*	*			trans	-75.5	83.5	176.5	-67.9	-177.8	-178.6	170.5	0.7	110.6	A103 S107	A103-R105 PolarHBondContact O-N 3.39Å; R105-S107 PolarHBondContact O-N 3.29Å
106	I	31.2	Very low	35.6	Very low	150 Å²	150	135.1 Å²	135.1	77%	0.769	71%	0.713	S	S	*	*			trans	-61.4	124	171.5	-64.5	176.3	0	0	0	109.1	P104	P104-I106 VanDerWaalsContact C-N 3.34Å; P104-I106 PolarHBondContact O-N 2.86Å
107	S	27.9	Very low	37.7	Very low	105 Å²	105	125.4 Å²	125.4	73%	0.734	67%	0.671	S	S	*	*			trans	-76.4	126.5	-178	46.9	0	0	0	0	111.3	R105 R109	R105-S107 PolarHBondContact O-N 3.29Å; S107-R109 PolarHBondContact O-N 2.91Å
108	Q	34.9	Very low	39.6	Very low	178 Å²	178	125.8 Å²	125.8	83%	0.832	66%	0.663	S	S	*	*			trans	-77.1	78.9	-174.4	-67.3	-173	-4.7	0	0	113.2	R110	Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.32Å; Q108-R110 VanDerWaalsContact O-N 3.16Å
109	R	29.5	Very low	41.6	Very low	242 Å²	242	125.4 Å²	125.4	91%	0.913	65%	0.648	S	S	*	*			trans	-78.4	88.1	154.7	-80.7	-164.4	171.8	-149.3	-0.9	109.1	S107 N111	S107-R109 PolarHBondContact O-N 2.91Å; R109-N111 PolarHBondContact O-N 3.03Å
110	R	29.6	Very low	44.1	Very low	226 Å²	226	121.4 Å²	121.4	85%	0.853	62%	0.621	S	S	*	*			trans	-75.4	78.9	-169.5	-165.6	178.9	-172	-179.8	2.7	112.9	Q108	Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.32Å; Q108-R110 VanDerWaalsContact O-N 3.16Å
111	N	36.7	Very low	46.3	Very low	81 Å²	81	116.3 Å²	116.3	43%	0.433	59%	0.585	S	S	.	*			trans	-65.5	132.8	169.7	-168	-26.6	0	0	0	109.9	R109 H113 T114	R109-N111 PolarHBondContact O-N 3.03Å; N111-H113 PolarHBondContact O-N 3.5Å; N111-H113 VanDerWaalsContact O-N 3.15Å; N111-H113 PolarHBondContact OD1-ND1 3.44Å; N111-T114 PolarHBondContact O-N 2.8Å
112	K	41.1	Very low	48.6	Very low	185 Å²	185	111.3 Å²	111.3	80%	0.804	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-39.1	-173	-75.3	-175.7	176.1	179	0	112.6	T114	K112-T114 PolarHBondContact O-N 2.98Å
113	H	42	Very low	51.3	Low	113 Å²	113	106.7 Å²	106.7	52%	0.523	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.8	-173.1	-55	94.4	0	0	0	114.8	N111 G115	N111-H113 PolarHBondContact O-N 3.5Å; N111-H113 VanDerWaalsContact O-N 3.15Å; N111-H113 PolarHBondContact OD1-ND1 3.44Å; H113-G115 VanDerWaalsContact C-N 3.34Å
114	T	49.5	Very low	54	Low	61 Å²	61	102.1 Å²	102.1	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-72.4	-30.5	-177.9	-49	0	0	0	0	111.9	N111 K112 D116 Q118	N111-T114 PolarHBondContact O-N 2.8Å; K112-T114 PolarHBondContact O-N 2.98Å; T114-D116 VanDerWaalsContact C-N 3.33Å; T114-D116 PolarHBondContact O-N 3.41Å; T114-Q118 PolarHBondContact O-N 3.19Å
115	G	55.3	Low	56.5	Low	34 Å²	34	99.1 Å²	99.1	35%	0.351	46%	0.462	S	S	.	.	H	α-helix	trans	-65.7	-32.4	-177	0	0	0	0	0	114	H113 K119	H113-G115 VanDerWaalsContact C-N 3.34Å; G115-K119 WeakPolarHBondContact O-CG 3.29Å
116	D	64.7	Low	59	Low	70 Å²	70	92 Å²	92	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-85.5	-36.4	-179.1	-57.6	-45	0	0	0	111.8	T114 Q118 K119 H120	T114-D116 VanDerWaalsContact C-N 3.33Å; T114-D116 PolarHBondContact O-N 3.41Å; D116-Q118 VanDerWaalsContact C-N 3.26Å; D116-Q118 PolarHBondContact O-N 2.9Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 VanDerWaalsContact O-N 3.14Å; D116-K119 WeakPolarHBondContact OD1-CE 3.28Å; D116-K119 IonicContact OD1-NZ 3.44Å; D116-K119 PolarHBondContact OD1-NZ 3.47Å; D116-H120 WeakPolarHBondContact O-CB 3.37Å; D116-H120 PolarHBondContact O-CD2 3.25Å; D116-H120 PolarHBondContact O-N 2.97Å
117	L	70.1	Confident	61.5	Low	16 Å²	16	86.6 Å²	86.6	8%	0.084	42%	0.42	C	S	.	.	H	α-helix	trans	-55.5	-41.7	170	179.9	61.7	0	0	0	111.7	T84 A89 H120 L121 Y150	T84-L117 HydrophobicContact CG2-CD2 4.35Å; A89-L117 HydrophobicContact CB-CD2 4.4Å; L117-H120 PolarHBondContact O-N 3.18Å; L117-L121 HydrophobicContact CD1-CD1 4.4Å; L117-L121 HydrophobicContact CD1-CG 4.34Å; L117-L121 HydrophobicContact CG-CD1 4.17Å; L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.14Å; L117-Y150 HydrophobicContact CD1-CE1 3.62Å
118	Q	69.3	Low	64.3	Low	99 Å²	99	82.3 Å²	82.3	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-38.2	178	-167.3	178.6	7	0	0	112.8	I78 T114 D116 Q122	I78-Q118 HydrophobicContact CG2-CG 4.11Å; T114-Q118 PolarHBondContact O-N 3.19Å; D116-Q118 VanDerWaalsContact C-N 3.26Å; D116-Q118 PolarHBondContact O-N 2.9Å; Q118-Q122 PolarHBondContact O-N 2.86Å; Q118-Q122 VanDerWaalsContact O-N 3.1Å
119	K	74.7	Confident	66.8	Low	121 Å²	121	76.2 Å²	76.2	53%	0.526	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-44.3	173.3	-62.9	166.8	-163.8	165.5	0	111.4	G115 D116 Q122 T123	G115-K119 WeakPolarHBondContact O-CG 3.29Å; D116-K119 PolarHBondContact O-N 3.22Å; D116-K119 VanDerWaalsContact O-N 3.14Å; D116-K119 WeakPolarHBondContact OD1-CE 3.28Å; D116-K119 IonicContact OD1-NZ 3.44Å; D116-K119 PolarHBondContact OD1-NZ 3.47Å; K119-Q122 PolarHBondContact O-N 3.49Å; K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 3.48Å
120	H	83.4	Confident	69.1	Low	37 Å²	37	69.3 Å²	69.3	17%	0.171	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-45.3	179.3	-64.5	167.1	0	0	0	110.5	D116 L117 Q122 T123 M124 Y150 F172	D116-H120 WeakPolarHBondContact O-CB 3.37Å; D116-H120 PolarHBondContact O-CD2 3.25Å; D116-H120 PolarHBondContact O-N 2.97Å; L117-H120 PolarHBondContact O-N 3.18Å; H120-Q122 PolarHBondContact O-N 3.37Å; H120-T123 CarbonylContact O-C 3.39Å; H120-T123 WeakPolarHBondContact O-CA 3.37Å; H120-T123 WeakPolarHBondContact O-CB 3.36Å; H120-T123 PolarHBondContact O-N 3.19Å; H120-M124 HydrophobicContact CB-CE 4.48Å; H120-M124 WeakPolarHBondContact O-CG 3.34Å; H120-M124 PolarHBondContact O-N 2.93Å; H120-Y150 HydrophobicContact CB-CE2 4.01Å; H120-Y150 AromaticContact ND1-CE2 3.52Å; H120-Y150 AromaticContact ND1-CZ 3.64Å; H120-Y150 PolarHBondContact ND1-OH 2.96Å; H120-F172 HydrophobicContact CB-CD1 4.37Å; H120-F172 HydrophobicContact CB-CE1 3.74Å; H120-F172 HydrophobicContact CB-CE2 4.03Å; H120-F172 HydrophobicContact CB-CZ 3.55Å; H120-F172 AromaticContact CD2-CD1 3.53Å; H120-F172 AromaticContact CD2-CE1 3.58Å; H120-F172 AromaticContact CG-CD1 3.94Å; H120-F172 AromaticContact CG-CE1 3.78Å; H120-F172 WeakPolarHBondContact O-CZ 3.5Å
121	L	82.3	Confident	71.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-45.1	172.7	-71.5	169.4	0	0	0	112.5	F82 A89 F91 L117 T123 M124 F125 I134 A137	F82-L121 HydrophobicContact CD2-CD1 4.02Å; F82-L121 HydrophobicContact CE2-CD1 3.81Å; A89-L121 HydrophobicContact CB-CD1 3.85Å; A89-L121 HydrophobicContact CB-CD2 4.37Å; F91-L121 HydrophobicContact CE2-CD2 4Å; F91-L121 HydrophobicContact CZ-CD1 4.37Å; F91-L121 HydrophobicContact CZ-CD2 4.02Å; L117-L121 HydrophobicContact CD1-CD1 4.4Å; L117-L121 HydrophobicContact CD1-CG 4.34Å; L117-L121 HydrophobicContact CG-CD1 4.17Å; L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.14Å; L121-T123 PolarHBondContact O-N 2.85Å; L121-M124 HydrophobicContact CD2-SD 3.91Å; L121-M124 PolarHBondContact O-N 3.29Å; L121-F125 WeakPolarHBondContact O-CD2 3.3Å; L121-F125 PolarHBondContact O-N 3.36Å; L121-I134 HydrophobicContact CD2-CD1 4.46Å; L121-A137 HydrophobicContact CD2-CB 3.89Å
122	Q	79.7	Confident	74.2	Confident	46 Å²	46	60.9 Å²	60.9	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-32.4	174.6	172.7	151.2	91.3	0	0	112.7	I74 N75 I78 Q118 K119 H120	I74-Q122 HydrophobicContact CG2-CB 4.45Å; I74-Q122 HydrophobicContact CG2-CG 4.07Å; N75-Q122 PolarHBondContact OD1-NE2 2.92Å; I78-Q122 HydrophobicContact CD1-CB 3.78Å; Q118-Q122 PolarHBondContact O-N 2.86Å; Q118-Q122 VanDerWaalsContact O-N 3.1Å; K119-Q122 PolarHBondContact O-N 3.49Å; H120-Q122 PolarHBondContact O-N 3.37Å
123	T	83.3	Confident	76.4	Confident	21 Å²	21	55.2 Å²	55.2	13%	0.129	29%	0.294	C	S	.	.	H	α-helix	trans	-79.3	-36.5	176.2	-50.2	0	0	0	0	112.1	K119 H120 L121 F125 T126 F172 S177 C179	K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 3.48Å; H120-T123 CarbonylContact O-C 3.39Å; H120-T123 WeakPolarHBondContact O-CA 3.37Å; H120-T123 WeakPolarHBondContact O-CB 3.36Å; H120-T123 PolarHBondContact O-N 3.19Å; L121-T123 PolarHBondContact O-N 2.85Å; T123-F125 PolarHBondContact O-N 3.34Å; T123-T126 PolarHBondContact O-N 2.99Å; T123-T126 PolarHBondContact O-OG1 2.99Å; T123-F172 HydrophobicContact CG2-CE1 3.98Å; T123-S177 WeakPolarHBondContact CG2-O 3.37Å; T123-C179 HydrophobicContact CG2-CB 3.99Å
124	M	87.3	Confident	78.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-40.1	175.9	-69.4	172.2	-171.6	0	0	111.5	H120 L121 T126 V127 L128 I134 A137 Y150 V152 I170 F172	H120-M124 HydrophobicContact CB-CE 4.48Å; H120-M124 WeakPolarHBondContact O-CG 3.34Å; H120-M124 PolarHBondContact O-N 2.93Å; L121-M124 HydrophobicContact CD2-SD 3.91Å; L121-M124 PolarHBondContact O-N 3.29Å; M124-T126 PolarHBondContact O-N 2.85Å; M124-T126 VanDerWaalsContact O-N 3.16Å; M124-V127 PolarHBondContact O-N 3.2Å; M124-V127 VanDerWaalsContact O-N 3.12Å; M124-L128 PolarHBondContact O-N 3.35Å; M124-I134 HydrophobicContact CB-CD1 4.08Å; M124-I134 HydrophobicContact SD-CD1 4.36Å; M124-A137 HydrophobicContact SD-CB 4.24Å; M124-Y150 HydrophobicContact CE-CD1 3.81Å; M124-Y150 HydrophobicContact CE-CD2 3.4Å; M124-Y150 HydrophobicContact CE-CE1 4.27Å; M124-Y150 HydrophobicContact CE-CE2 3.88Å; M124-Y150 HydrophobicContact CE-CG 3.35Å; M124-V152 HydrophobicContact CE-CG2 4.18Å; M124-V152 HydrophobicContact SD-CG2 3.93Å; M124-I170 HydrophobicContact CB-CD1 4.4Å; M124-I170 HydrophobicContact CG-CD1 3.99Å; M124-I170 HydrophobicContact CG-CG2 4.45Å; M124-F172 HydrophobicContact CE-CE2 3.69Å; M124-F172 HydrophobicContact CE-CZ 4.13Å; M124-F172 HydrophobicContact CG-CE2 4.26Å; M124-F172 HydrophobicContact CG-CZ 4.03Å
125	F	84.2	Confident	80.2	Confident	46 Å²	46	49.7 Å²	49.7	20%	0.202	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.9	177.6	-76	-66.1	0	0	0	114.8	I74 I78 F91 L121 T123 L128 I134	I74-F125 HydrophobicContact CG2-CB 4.24Å; I74-F125 HydrophobicContact CG2-CD2 4.17Å; I74-F125 HydrophobicContact CG2-CG 4.49Å; I78-F125 HydrophobicContact CG1-CE2 4.23Å; F91-F125 HydrophobicContact CE1-CE2 4.35Å; F91-F125 HydrophobicContact CE1-CZ 4.04Å; F91-F125 HydrophobicContact CZ-CE2 4.25Å; F91-F125 HydrophobicContact CZ-CZ 4.15Å; L121-F125 WeakPolarHBondContact O-CD2 3.3Å; L121-F125 PolarHBondContact O-N 3.36Å; T123-F125 PolarHBondContact O-N 3.34Å; F125-L128 HydrophobicContact CD1-CD1 4.28Å; F125-I134 HydrophobicContact CE1-CD1 4.13Å; F125-I134 HydrophobicContact CE1-CG1 4.24Å; F125-I134 HydrophobicContact CE2-CD1 4.28Å; F125-I134 HydrophobicContact CZ-CD1 3.98Å; F125-I134 HydrophobicContact CZ-CG1 4.37Å
126	T	82.6	Confident	81.9	Confident	101 Å²	101	48 Å²	48	62%	0.62	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.2	175.6	71.3	0	0	0	0	113.7	T123 M124	T123-T126 PolarHBondContact O-N 2.99Å; T123-T126 PolarHBondContact O-OG1 2.99Å; M124-T126 PolarHBondContact O-N 2.85Å; M124-T126 VanDerWaalsContact O-N 3.16Å
127	V	84.6	Confident	83.1	Confident	36 Å²	36	44.7 Å²	44.7	22%	0.218	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-20.7	179.6	178.6	0	0	0	0	112	M124 C179 V181	M124-V127 PolarHBondContact O-N 3.2Å; M124-V127 VanDerWaalsContact O-N 3.12Å; V127-C179 VanDerWaalsContact CG2-SG 3.56Å; V127-V181 HydrophobicContact CG1-CG2 3.66Å
128	L	86.3	Confident	84	Confident	15 Å²	15	44 Å²	44	8%	0.079	22%	0.223	C	C	.	.	S	Bend	trans	-77.3	158.5	175.2	-61.6	177.3	0	0	0	112.3	M124 F125 I134 V154 L168 Y252	M124-L128 PolarHBondContact O-N 3.35Å; F125-L128 HydrophobicContact CD1-CD1 4.28Å; L128-I134 HydrophobicContact CD1-CD1 3.9Å; L128-I134 HydrophobicContact CD1-CG1 3.47Å; L128-I134 VanDerWaalsContact CD1-CG1 3.47Å; L128-V154 HydrophobicContact CD2-CG1 4.23Å; L128-V154 HydrophobicContact CD2-CG2 3.93Å; L128-L168 HydrophobicContact CD2-CD1 3.77Å; L128-Y252 WeakPolarHBondContact CA-OH 3.42Å; L128-Y252 HydrophobicContact CD2-CE1 3.99Å; L128-Y252 WeakPolarHBondContact CD2-OH 3.43Å
129	R	86.9	Confident	84.8	Confident	50 Å²	50	43.8 Å²	43.8	19%	0.189	22%	0.218	C	C	.	.			trans	-76.9	152.3	170.3	-56.3	-178.8	-63	148.2	5.6	110.8	E131 D132 W248 Y251 Y252	R129-E131 WeakPolarHBondContact CB-OE2 3.33Å; R129-E131 PolarHBondContact O-N 3.41Å; R129-E131 VanDerWaalsContact O-N 3.1Å; R129-D132 HydrophobicContact CB-CB 4.44Å; R129-D132 IonicContact CZ-OD1 3.2Å; R129-D132 IonicContact CZ-OD2 2.68Å; R129-D132 IonicContact NE-OD1 3.91Å; R129-D132 IonicContact NE-OD2 2.86Å; R129-D132 PolarHBondContact NE-OD2 3.38Å; R129-D132 VanDerWaalsContact NH2-CG 3.3Å; R129-D132 IonicContact NH2-OD1 2.79Å; R129-D132 PolarHBondContact NH2-OD1 3.3Å; R129-D132 IonicContact NH2-OD2 2.69Å; R129-D132 PolarHBondContact NH2-OD2 2.89Å; R129-D132 VanDerWaalsContact NH2-OD2 3.15Å; R129-D132 PolarHBondContact O-N 2.92Å; R129-W248 VanDerWaalsContact NH2-CE3 3.32Å; R129-Y251 HydrophobicContact CG-CD1 3.83Å; R129-Y251 HydrophobicContact CG-CD2 4.48Å; R129-Y251 HydrophobicContact CG-CE1 3.38Å; R129-Y251 HydrophobicContact CG-CE2 4.08Å; R129-Y251 HydrophobicContact CG-CG 4.36Å; R129-Y252 PolarHBondContact N-OH 3.25Å; R129-Y252 VanDerWaalsContact N-OH 3.09Å
130	P	77.7	Confident	85.5	Confident	98 Å²	98	38.5 Å²	38.5	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	179.4	-25.2	35.6	0	0	0	115.1
131	E	84.3	Confident	85.6	Confident	122 Å²	122	41.3 Å²	41.3	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-14.3	178.4	-51.9	75.1	-159.7	0	0	113.3	R129	R129-E131 WeakPolarHBondContact CB-OE2 3.33Å; R129-E131 PolarHBondContact O-N 3.41Å; R129-E131 VanDerWaalsContact O-N 3.1Å
132	D	88.8	Confident	85.4	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.043	22%	0.221	C	C	.	.			trans	-93	140.6	-172.6	-70.3	-21.1	0	0	0	112.2	R129 V154 T156 Y252	R129-D132 HydrophobicContact CB-CB 4.44Å; R129-D132 IonicContact CZ-OD1 3.2Å; R129-D132 IonicContact CZ-OD2 2.68Å; R129-D132 IonicContact NE-OD1 3.91Å; R129-D132 IonicContact NE-OD2 2.86Å; R129-D132 PolarHBondContact NE-OD2 3.38Å; R129-D132 VanDerWaalsContact NH2-CG 3.3Å; R129-D132 IonicContact NH2-OD1 2.79Å; R129-D132 PolarHBondContact NH2-OD1 3.3Å; R129-D132 IonicContact NH2-OD2 2.69Å; R129-D132 PolarHBondContact NH2-OD2 2.89Å; R129-D132 VanDerWaalsContact NH2-OD2 3.15Å; R129-D132 PolarHBondContact O-N 2.92Å; D132-V154 HydrophobicContact CB-CG1 3.83Å; D132-T156 WeakPolarHBondContact OD1-CB 3.39Å; D132-T156 PolarHBondContact OD1-OG1 3.43Å; D132-Y252 VanDerWaalsContact OD2-CE2 3.28Å; D132-Y252 WeakPolarHBondContact OD2-CE2 3.42Å; D132-Y252 PolarHBondContact OD2-OH 3.26Å
133	T	87	Confident	85.2	Confident	66 Å²	66	44.5 Å²	44.5	41%	0.405	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	-177.1	54.3	0	0	0	0	111.1	R135 V154 S155	T133-R135 PolarHBondContact O-N 2.91Å; T133-V154 CarbonylContact O-C 3.59Å; T133-V154 WeakPolarHBondContact O-CA 3.47Å; T133-S155 PolarHBondContact N-O 3.27Å; T133-S155 PolarHBondContact O-N 3.22Å; T133-S155 PolarHBondContact OG1-O 3.09Å; T133-S155 PolarHBondContact OG1-OG 3.06Å
134	I	88.7	Confident	84.9	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.2	168	-57.4	176.8	0	0	0	107.6	F91 L121 M124 F125 L128 A137 V152	F91-I134 VanDerWaalsContact CB-O 3.26Å; F91-I134 WeakPolarHBondContact CB-O 3.19Å; F91-I134 HydrophobicContact CD2-CB 3.94Å; F91-I134 HydrophobicContact CD2-CG2 3.62Å; F91-I134 HydrophobicContact CE2-CB 3.92Å; F91-I134 HydrophobicContact CE2-CG2 3.59Å; L121-I134 HydrophobicContact CD2-CD1 4.46Å; M124-I134 HydrophobicContact CB-CD1 4.08Å; M124-I134 HydrophobicContact SD-CD1 4.36Å; F125-I134 HydrophobicContact CE1-CD1 4.13Å; F125-I134 HydrophobicContact CE1-CG1 4.24Å; F125-I134 HydrophobicContact CE2-CD1 4.28Å; F125-I134 HydrophobicContact CZ-CD1 3.98Å; F125-I134 HydrophobicContact CZ-CG1 4.37Å; L128-I134 HydrophobicContact CD1-CD1 3.9Å; L128-I134 HydrophobicContact CD1-CG1 3.47Å; L128-I134 VanDerWaalsContact CD1-CG1 3.47Å; I134-A137 HydrophobicContact CG2-CB 4.39Å; I134-V152 HydrophobicContact CB-CG1 4.44Å; I134-V152 HydrophobicContact CD1-CG1 4.3Å; I134-V152 HydrophobicContact CG1-CG1 4.06Å; I134-V152 HydrophobicContact CG2-CG1 3.71Å
135	R	84	Confident	84	Confident	52 Å²	52	55.1 Å²	55.1	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-45.3	165.4	-68.7	-53.1	-150.6	-164	2.8	111	F91 T133 V153 S155 E163	F91-R135 PolarHBondContact N-O 3.33Å; T133-R135 PolarHBondContact O-N 2.91Å; R135-V153 HydrophobicContact CB-CB 4.35Å; R135-V153 HydrophobicContact CB-CG1 4.26Å; R135-V153 PolarHBondContact N-O 2.68Å; R135-S155 VanDerWaalsContact CD-OG 3.26Å; R135-S155 WeakPolarHBondContact CD-OG 3.37Å; R135-S155 VanDerWaalsContact CG-OG 3.25Å; R135-S155 WeakPolarHBondContact CG-OG 3.48Å; R135-S155 PolarHBondContact NE-OG 2.72Å; R135-S155 VanDerWaalsContact NE-OG 3.07Å; R135-E163 IonicContact CZ-OE1 3.03Å; R135-E163 VanDerWaalsContact CZ-OE1 3.23Å; R135-E163 IonicContact CZ-OE2 3.95Å; R135-E163 IonicContact NE-OE1 2.75Å; R135-E163 PolarHBondContact NE-OE1 3.1Å; R135-E163 IonicContact NH2-OE1 3.34Å; R135-E163 PolarHBondContact NH2-OE1 2.96Å; R135-E163 IonicContact NH2-OE2 3.91Å; R135-E163 PolarHBondContact NH2-OE2 2.88Å
136	L	90.6	Very high	83.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.8	-175.8	179.8	74.6	0	0	0	109.6	A89 L90 V138 V152 V153 S222 A223	A89-L136 CarbonylContact O-C 3.58Å; A89-L136 WeakPolarHBondContact O-CA 3.29Å; L90-L136 HydrophobicContact CB-CD1 4.12Å; L90-L136 HydrophobicContact CD1-CB 4.45Å; L90-L136 HydrophobicContact CD1-CD1 4Å; L136-V138 HydrophobicContact CD1-CG2 4.08Å; L136-V138 HydrophobicContact CD2-CG2 3.69Å; L136-V138 HydrophobicContact CG-CG2 3.85Å; L136-V152 CarbonylContact O-C 3.44Å; L136-V152 VanDerWaalsContact O-CA 3.31Å; L136-V152 WeakPolarHBondContact O-CA 3.38Å; L136-V153 HydrophobicContact CB-CB 4.22Å; L136-V153 HydrophobicContact CB-CG2 4.24Å; L136-V153 HydrophobicContact CD2-CG2 4.42Å; L136-V153 PolarHBondContact N-O 2.97Å; L136-V153 PolarHBondContact O-N 2.9Å; L136-S222 VanDerWaalsContact CD2-O 3.29Å; L136-S222 WeakPolarHBondContact CD2-O 3.48Å; L136-A223 HydrophobicContact CD2-CB 4.46Å
137	A	89.6	Confident	83.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.6	163.4	0	0	0	0	0	109.6	A88 A89 L121 M124 I134 V152	A88-A137 CarbonylContact C-O 3.25Å; A88-A137 WeakPolarHBondContact CA-O 3.37Å; A89-A137 PolarHBondContact N-O 3.43Å; A89-A137 PolarHBondContact O-N 3.34Å; L121-A137 HydrophobicContact CD2-CB 3.89Å; M124-A137 HydrophobicContact SD-CB 4.24Å; I134-A137 HydrophobicContact CG2-CB 4.39Å; A137-V152 HydrophobicContact CB-CG1 4.34Å; A137-V152 HydrophobicContact CB-CG2 4.05Å
138	V	88.4	Confident	83.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.2	-179.4	161.6	0	0	0	0	109.2	A88 L136 L140 Y150 M151 P214 A219 A223	A88-V138 HydrophobicContact CB-CG2 3.79Å; L136-V138 HydrophobicContact CD1-CG2 4.08Å; L136-V138 HydrophobicContact CD2-CG2 3.69Å; L136-V138 HydrophobicContact CG-CG2 3.85Å; V138-L140 HydrophobicContact CG1-CD2 4.11Å; V138-Y150 CarbonylContact O-C 3.54Å; V138-Y150 VanDerWaalsContact O-CA 3.25Å; V138-Y150 WeakPolarHBondContact O-CA 3.42Å; V138-M151 PolarHBondContact N-O 3.4Å; V138-M151 PolarHBondContact O-N 3.42Å; V138-P214 HydrophobicContact CG1-CB 3.85Å; V138-P214 HydrophobicContact CG1-CG 4.24Å; V138-A219 HydrophobicContact CG1-CB 4.17Å; V138-A223 HydrophobicContact CG2-CB 4.23Å
139	R	87.6	Confident	83.6	Confident	96 Å²	96	54.4 Å²	54.4	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.4	173	-171.4	-176.1	179.4	172.9	8.7	109.3	G87 T148 R149 Y150 V215	G87-R139 PolarHBondContact O-N 3.11Å; R139-T148 HydrophobicContact CG-CG2 4.3Å; R139-T148 PolarHBondContact NH2-OG1 2.9Å; R139-R149 WeakPolarHBondContact CA-O 3.47Å; R139-Y150 HydrophobicContact CB-CD1 4.02Å; R139-Y150 HydrophobicContact CB-CE1 3.71Å; R139-Y150 HydrophobicContact CG-CE1 4.18Å; R139-V215 HydrophobicContact CB-CG1 4.24Å; R139-V215 HydrophobicContact CB-CG2 3.94Å; R139-V215 HydrophobicContact CG-CG1 3.85Å; R139-V215 HydrophobicContact CG-CG2 4.33Å; R139-V215 PolarHBondContact O-N 2.85Å; R139-V215 VanDerWaalsContact O-N 3.12Å
140	L	87.6	Confident	83.9	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	158.9	173.7	-52.8	-175.9	0	0	0	111.4	V138 R149 M151 F212 K213 P214 V215 W266	V138-L140 HydrophobicContact CG1-CD2 4.11Å; L140-R149 HydrophobicContact CB-CB 4.3Å; L140-R149 HydrophobicContact CB-CG 4.06Å; L140-R149 HydrophobicContact CD1-CG 3.96Å; L140-R149 HydrophobicContact CG-CG 4.27Å; L140-R149 PolarHBondContact N-O 3.42Å; L140-M151 HydrophobicContact CD1-CB 4.23Å; L140-M151 HydrophobicContact CD2-CB 4.1Å; L140-M151 HydrophobicContact CG-CB 4.31Å; L140-F212 HydrophobicContact CD1-CD1 3.9Å; L140-F212 HydrophobicContact CD2-CB 4.36Å; L140-K213 CarbonylContact C-O 3.35Å; L140-K213 WeakPolarHBondContact CA-O 3.45Å; L140-K213 WeakPolarHBondContact CB-O 3.44Å; L140-P214 HydrophobicContact CD2-CG 4.35Å; L140-V215 VanDerWaalsContact C-CG1 3.4Å; L140-V215 WeakPolarHBondContact O-CG1 3.27Å; L140-W266 HydrophobicContact CD1-CH2 3.61Å; L140-W266 HydrophobicContact CD1-CZ3 3.59Å
141	E	85.2	Confident	84.6	Confident	97 Å²	97	47.6 Å²	47.6	45%	0.453	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-58.5	151.9	155.2	-58.8	-173.4	160	0	0	109.8	K213	E141-K213 HydrophobicContact CB-CB 4.22Å; E141-K213 HydrophobicContact CG-CB 4.37Å; E141-K213 PolarHBondContact N-O 3.38Å
142	S	80.1	Confident	85	Confident	37 Å²	37	41.8 Å²	41.8	26%	0.259	22%	0.22	S	C	.	.			trans	-139.2	147.3	170.2	176.6	0	0	0	0	109.3	Y144 E265	S142-Y144 PolarHBondContact O-N 3.09Å; S142-Y144 PolarHBondContact OG-N 2.97Å; S142-E265 WeakPolarHBondContact CA-OE1 3.48Å; S142-E265 WeakPolarHBondContact CB-OE1 3.21Å; S142-E265 PolarHBondContact OG-OE1 2.88Å; S142-E265 PolarHBondContact OG-OE2 3.31Å
143	A	73.9	Confident	85.1	Confident	76 Å²	76	41.5 Å²	41.5	63%	0.628	22%	0.218	S	C	*	.	S	Bend	trans	-65.9	-18.4	172.7	0	0	0	0	0	112.8	E265	A143-E265 PolarHBondContact N-OE1 3.4Å
144	Y	77	Confident	85.4	Confident	112 Å²	112	38.3 Å²	38.3	44%	0.439	20%	0.199	S	C	.	.			trans	-115.7	110.8	-175.6	-59.6	-71.9	0	0	0	111.1	S142 Q146 V147 F261	S142-Y144 PolarHBondContact O-N 3.09Å; S142-Y144 PolarHBondContact OG-N 2.97Å; Y144-Q146 PolarHBondContact O-N 3.4Å; Y144-V147 PolarHBondContact O-N 2.91Å; Y144-F261 HydrophobicContact CD2-CD2 4.1Å; Y144-F261 HydrophobicContact CD2-CE2 4.43Å; Y144-F261 HydrophobicContact CE2-CD2 4.02Å
145	P	68.7	Low	85.5	Confident	131 Å²	131	38.2 Å²	38.2	85%	0.851	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-10	-174	26.9	-35.7	0	0	0	114.6
146	Q	74.6	Confident	85.8	Confident	146 Å²	146	36.4 Å²	36.4	68%	0.682	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.9	173.9	-61.4	-178.7	6.9	0	0	113.1	Y144 S174	Y144-Q146 PolarHBondContact O-N 3.4Å; Q146-S174 WeakPolarHBondContact O-CB 3.38Å; Q146-S174 PolarHBondContact O-N 3.35Å; Q146-S174 PolarHBondContact O-OG 3.07Å
147	V	81	Confident	85.6	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.7	177.8	-178.8	0	0	0	0	109.7	Y144 D171 F172 F261	Y144-V147 PolarHBondContact O-N 2.91Å; V147-D171 HydrophobicContact CG1-CB 4.19Å; V147-F172 CarbonylContact C-O 3.42Å; V147-F172 VanDerWaalsContact CA-O 3.31Å; V147-F172 WeakPolarHBondContact CA-O 3.32Å; V147-F261 HydrophobicContact CG2-CE2 4.03Å
148	T	85.8	Confident	84.9	Confident	19 Å²	19	41.7 Å²	41.7	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.8	167.5	-67.3	0	0	0	0	109.3	R139 Y150 F172	R139-T148 HydrophobicContact CG-CG2 4.3Å; R139-T148 PolarHBondContact NH2-OG1 2.9Å; T148-Y150 HydrophobicContact CG2-CD2 4.29Å; T148-Y150 HydrophobicContact CG2-CE2 3.54Å; T148-F172 PolarHBondContact N-O 2.73Å; T148-F172 WeakPolarHBondContact O-CB 3.25Å; T148-F172 PolarHBondContact O-N 3.19Å
149	R	89.1	Confident	83.9	Confident	9 Å²	9	52.3 Å²	52.3	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.6	-173.6	180	164.8	-77.6	177.8	9.1	112.2	R139 L140 D171 C262 E265 W266	R139-R149 WeakPolarHBondContact CA-O 3.47Å; L140-R149 HydrophobicContact CB-CB 4.3Å; L140-R149 HydrophobicContact CB-CG 4.06Å; L140-R149 HydrophobicContact CD1-CG 3.96Å; L140-R149 HydrophobicContact CG-CG 4.27Å; L140-R149 PolarHBondContact N-O 3.42Å; R149-D171 IonicContact CZ-OD1 3.18Å; R149-D171 IonicContact NE-OD1 3.36Å; R149-D171 PolarHBondContact NE-OD1 2.91Å; R149-D171 IonicContact NH2-OD1 2.8Å; R149-D171 PolarHBondContact NH2-OD1 3.09Å; R149-C262 PolarHBondContact NH2-O 3.42Å; R149-C262 VanDerWaalsContact NH2-O 3.16Å; R149-E265 IonicContact CZ-OE2 3.97Å; R149-E265 VanDerWaalsContact CZ-OE2 3.22Å; R149-E265 IonicContact NH1-OE1 3.43Å; R149-E265 IonicContact NH1-OE2 3.23Å; R149-E265 PolarHBondContact NH1-OE2 3.48Å; R149-E265 IonicContact NH2-OE2 2.83Å; R149-E265 PolarHBondContact NH2-OE2 2.9Å; R149-W266 VanDerWaalsContact CD-CH2 3.47Å; R149-W266 HydrophobicContact CG-CH2 3.46Å; R149-W266 VanDerWaalsContact CG-CH2 3.46Å; R149-W266 HydrophobicContact CG-CZ2 3.27Å; R149-W266 HydrophobicContact CG-CZ3 4.33Å
150	Y	91.3	Very high	83.2	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.6	175.1	-68.3	-87.2	0	0	0	112.4	L117 H120 M124 V138 R139 T148 G169 I170 F172 W266	L117-Y150 HydrophobicContact CD1-CE1 3.62Å; H120-Y150 HydrophobicContact CB-CE2 4.01Å; H120-Y150 AromaticContact ND1-CE2 3.52Å; H120-Y150 AromaticContact ND1-CZ 3.64Å; H120-Y150 PolarHBondContact ND1-OH 2.96Å; M124-Y150 HydrophobicContact CE-CD1 3.81Å; M124-Y150 HydrophobicContact CE-CD2 3.4Å; M124-Y150 HydrophobicContact CE-CE1 4.27Å; M124-Y150 HydrophobicContact CE-CE2 3.88Å; M124-Y150 HydrophobicContact CE-CG 3.35Å; V138-Y150 CarbonylContact O-C 3.54Å; V138-Y150 VanDerWaalsContact O-CA 3.25Å; V138-Y150 WeakPolarHBondContact O-CA 3.42Å; R139-Y150 HydrophobicContact CB-CD1 4.02Å; R139-Y150 HydrophobicContact CB-CE1 3.71Å; R139-Y150 HydrophobicContact CG-CE1 4.18Å; T148-Y150 HydrophobicContact CG2-CD2 4.29Å; T148-Y150 HydrophobicContact CG2-CE2 3.54Å; Y150-G169 WeakPolarHBondContact O-CA 3.19Å; Y150-I170 PolarHBondContact N-O 3.01Å; Y150-I170 PolarHBondContact O-N 3Å; Y150-F172 AromaticContact CD2-CD2 3.73Å; Y150-F172 HydrophobicContact CD2-CD2 3.73Å; Y150-F172 AromaticContact CD2-CE2 3.71Å; Y150-F172 HydrophobicContact CD2-CE2 3.71Å; Y150-F172 AromaticContact CE2-CD2 3.83Å; Y150-F172 HydrophobicContact CE2-CD2 3.83Å; Y150-F172 AromaticContact CE2-CE2 3.89Å; Y150-F172 HydrophobicContact CE2-CE2 3.89Å; Y150-W266 WeakPolarHBondContact O-CH2 3.33Å
151	M	92.5	Very high	82.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.6	157.5	-172.3	-165.4	75.5	0	0	108.4	V138 L140 V153 V167 F201 F212 A223 L227	V138-M151 PolarHBondContact N-O 3.4Å; V138-M151 PolarHBondContact O-N 3.42Å; L140-M151 HydrophobicContact CD1-CB 4.23Å; L140-M151 HydrophobicContact CD2-CB 4.1Å; L140-M151 HydrophobicContact CG-CB 4.31Å; M151-V153 HydrophobicContact CE-CG2 4.13Å; M151-V167 HydrophobicContact CG-CG1 3.4Å; M151-V167 VanDerWaalsContact CG-CG1 3.4Å; M151-V167 HydrophobicContact SD-CG1 4Å; M151-F201 HydrophobicContact CE-CZ 4.17Å; M151-F201 HydrophobicContact SD-CE2 4.27Å; M151-F201 HydrophobicContact SD-CZ 3.79Å; M151-F212 HydrophobicContact CB-CD1 3.98Å; M151-F212 HydrophobicContact CB-CE1 4.27Å; M151-F212 HydrophobicContact CG-CD1 3.73Å; M151-F212 HydrophobicContact CG-CE1 3.68Å; M151-F212 HydrophobicContact SD-CD1 3.67Å; M151-F212 HydrophobicContact SD-CD2 4.46Å; M151-F212 HydrophobicContact SD-CE1 3.91Å; M151-F212 HydrophobicContact SD-CG 3.97Å; M151-F212 HydrophobicContact SD-CZ 4.4Å; M151-A223 HydrophobicContact CE-CB 3.71Å; M151-L227 HydrophobicContact CE-CD1 4.09Å; M151-L227 HydrophobicContact CE-CG 4.4Å; M151-L227 HydrophobicContact SD-CD1 4.15Å
152	V	93	Very high	82.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.1	-177.5	-171.6	0	0	0	0	109.9	M124 I134 L136 A137 V154 L168 I170	M124-V152 HydrophobicContact CE-CG2 4.18Å; M124-V152 HydrophobicContact SD-CG2 3.93Å; I134-V152 HydrophobicContact CB-CG1 4.44Å; I134-V152 HydrophobicContact CD1-CG1 4.3Å; I134-V152 HydrophobicContact CG1-CG1 4.06Å; I134-V152 HydrophobicContact CG2-CG1 3.71Å; L136-V152 CarbonylContact O-C 3.44Å; L136-V152 VanDerWaalsContact O-CA 3.31Å; L136-V152 WeakPolarHBondContact O-CA 3.38Å; A137-V152 HydrophobicContact CB-CG1 4.34Å; A137-V152 HydrophobicContact CB-CG2 4.05Å; V152-V154 HydrophobicContact CG1-CG2 3.88Å; V152-L168 PolarHBondContact N-O 3.29Å; V152-L168 PolarHBondContact O-N 3.03Å; V152-I170 HydrophobicContact CB-CD1 4.31Å; V152-I170 HydrophobicContact CG2-CB 4.49Å; V152-I170 HydrophobicContact CG2-CD1 3.88Å; V152-I170 HydrophobicContact CG2-CG1 4.14Å
153	V	92.4	Very high	82.9	Confident	1 Å²	1	56 Å²	56	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.5	171.7	-173.7	0	0	0	0	107.8	R135 L136 M151 I166 L227	R135-V153 HydrophobicContact CB-CB 4.35Å; R135-V153 HydrophobicContact CB-CG1 4.26Å; R135-V153 PolarHBondContact N-O 2.68Å; L136-V153 HydrophobicContact CB-CB 4.22Å; L136-V153 HydrophobicContact CB-CG2 4.24Å; L136-V153 HydrophobicContact CD2-CG2 4.42Å; L136-V153 PolarHBondContact N-O 2.97Å; L136-V153 PolarHBondContact O-N 2.9Å; M151-V153 HydrophobicContact CE-CG2 4.13Å; V153-I166 WeakPolarHBondContact CA-O 3.23Å; V153-L227 HydrophobicContact CG2-CD2 3.95Å; V153-L227 HydrophobicContact CG2-CG 4.5Å
154	V	93	Very high	83.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.1	-178.4	178.7	0	0	0	0	109.2	L128 D132 T133 V152 S165 I166 L168 W248	L128-V154 HydrophobicContact CD2-CG1 4.23Å; L128-V154 HydrophobicContact CD2-CG2 3.93Å; D132-V154 HydrophobicContact CB-CG1 3.83Å; T133-V154 CarbonylContact O-C 3.59Å; T133-V154 WeakPolarHBondContact O-CA 3.47Å; V152-V154 HydrophobicContact CG1-CG2 3.88Å; V154-S165 CarbonylContact O-C 3.46Å; V154-S165 WeakPolarHBondContact O-CA 3.46Å; V154-I166 HydrophobicContact CB-CG1 4.13Å; V154-I166 PolarHBondContact N-O 3.36Å; V154-I166 PolarHBondContact O-N 3.11Å; V154-L168 HydrophobicContact CG2-CD1 3.88Å; V154-L168 HydrophobicContact CG2-CG 4.2Å; V154-W248 HydrophobicContact CG1-CH2 4.44Å; V154-W248 HydrophobicContact CG1-CZ3 4.49Å
155	S	90.6	Very high	84.5	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.5	175.9	61.9	0	0	0	0	112.3	T133 R135 E164	T133-S155 PolarHBondContact N-O 3.27Å; T133-S155 PolarHBondContact O-N 3.22Å; T133-S155 PolarHBondContact OG1-O 3.09Å; T133-S155 PolarHBondContact OG1-OG 3.06Å; R135-S155 VanDerWaalsContact CD-OG 3.26Å; R135-S155 WeakPolarHBondContact CD-OG 3.37Å; R135-S155 VanDerWaalsContact CG-OG 3.25Å; R135-S155 WeakPolarHBondContact CG-OG 3.48Å; R135-S155 PolarHBondContact NE-OG 2.72Å; R135-S155 VanDerWaalsContact NE-OG 3.07Å; S155-E164 CarbonylContact C-O 3.58Å; S155-E164 VanDerWaalsContact CA-O 3.25Å; S155-E164 WeakPolarHBondContact CA-O 3.36Å
156	T	90.7	Very high	85.6	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.086	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157.2	169.5	-145.5	0	0	0	0	109.5	D132 G158 E164 W248	D132-T156 WeakPolarHBondContact OD1-CB 3.39Å; D132-T156 PolarHBondContact OD1-OG1 3.43Å; T156-G158 PolarHBondContact O-N 3Å; T156-E164 HydrophobicContact CG2-CB 4.13Å; T156-E164 PolarHBondContact N-O 2.9Å; T156-E164 PolarHBondContact O-N 3.43Å; T156-W248 HydrophobicContact CG2-CD2 4.03Å; T156-W248 HydrophobicContact CG2-CG 4.34Å; T156-W248 HydrophobicContact CG2-CH2 4.35Å; T156-W248 HydrophobicContact CG2-CZ2 3.57Å; T156-W248 VanDerWaalsContact CG2-NE1 3.34Å
157	N	84.9	Confident	86.5	Confident	102 Å²	102	34.4 Å²	34.4	55%	0.545	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.3	170.3	-167.8	72.1	0	0	0	108.5	D161	N157-D161 PolarHBondContact ND2-OD1 3.15Å
158	G	74.6	Confident	87.1	Confident	8 Å²	8	34 Å²	34	8%	0.082	16%	0.163	C	C	.	.			trans	-63.6	169.1	-175.8	0	0	0	0	0	113.7	T156 Q160 D161 T162 E164	T156-G158 PolarHBondContact O-N 3Å; G158-Q160 PolarHBondContact O-N 2.91Å; G158-D161 PolarHBondContact O-N 3.02Å; G158-D161 VanDerWaalsContact O-N 3.08Å; G158-T162 WeakPolarHBondContact CA-O 3.5Å; G158-T162 PolarHBondContact N-O 3.09Å; G158-E164 WeakPolarHBondContact CA-OE1 3.49Å
159	R	69.3	Low	87.4	Confident	223 Å²	223	33 Å²	33	84%	0.842	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-6	179.9	-68.6	-173.9	177.7	-134.6	0.7	114.6
160	Q	70.9	Confident	87.5	Confident	120 Å²	120	32.7 Å²	32.7	56%	0.561	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	17.1	-179.7	-55.9	-66.6	-8.9	0	0	112.3	G158 T162 F245	G158-Q160 PolarHBondContact O-N 2.91Å; Q160-T162 HydrophobicContact CB-CG2 4.16Å; Q160-T162 PolarHBondContact O-N 3.14Å; Q160-F245 HydrophobicContact CB-CE1 4.18Å; Q160-F245 HydrophobicContact CG-CE1 3.9Å; Q160-F245 HydrophobicContact CG-CZ 4.42Å
161	D	76.9	Confident	87.5	Confident	136 Å²	136	32.4 Å²	32.4	73%	0.727	16%	0.155	S	C	*	.	S	Bend	trans	57.9	26.8	-171.1	-74.7	-47.8	0	0	0	114.6	N157 G158	N157-D161 PolarHBondContact ND2-OD1 3.15Å; G158-D161 PolarHBondContact O-N 3.02Å; G158-D161 VanDerWaalsContact O-N 3.08Å
162	T	82.9	Confident	87.2	Confident	16 Å²	16	32.7 Å²	32.7	10%	0.098	16%	0.156	C	C	.	.			trans	-99.3	138.8	176.2	54.8	0	0	0	0	111.1	G158 Q160 E164 H237 Y239 F245	G158-T162 WeakPolarHBondContact CA-O 3.5Å; G158-T162 PolarHBondContact N-O 3.09Å; Q160-T162 HydrophobicContact CB-CG2 4.16Å; Q160-T162 PolarHBondContact O-N 3.14Å; T162-E164 PolarHBondContact O-N 3.06Å; T162-E164 VanDerWaalsContact O-N 3.14Å; T162-H237 VanDerWaalsContact CG2-CD2 3.46Å; T162-H237 WeakPolarHBondContact CG2-CD2 3.26Å; T162-Y239 WeakPolarHBondContact CB-OH 3.5Å; T162-Y239 PolarHBondContact OG1-OH 2.96Å; T162-F245 HydrophobicContact CG2-CE1 4.46Å
163	E	87.8	Confident	86.6	Confident	46 Å²	46	35.7 Å²	35.7	22%	0.215	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	110.3	175.2	-177.9	174.1	172.9	0	0	109.7	R135 K229 V233 Y239	R135-E163 IonicContact CZ-OE1 3.03Å; R135-E163 VanDerWaalsContact CZ-OE1 3.23Å; R135-E163 IonicContact CZ-OE2 3.95Å; R135-E163 IonicContact NE-OE1 2.75Å; R135-E163 PolarHBondContact NE-OE1 3.1Å; R135-E163 IonicContact NH2-OE1 3.34Å; R135-E163 PolarHBondContact NH2-OE1 2.96Å; R135-E163 IonicContact NH2-OE2 3.91Å; R135-E163 PolarHBondContact NH2-OE2 2.88Å; E163-K229 IonicContact OE1-NZ 3.22Å; E163-K229 PolarHBondContact OE1-NZ 3.1Å; E163-K229 IonicContact OE2-NZ 3.08Å; E163-K229 PolarHBondContact OE2-NZ 3.43Å; E163-V233 HydrophobicContact CB-CG1 4.27Å; E163-V233 VanDerWaalsContact O-CG1 3.22Å; E163-V233 WeakPolarHBondContact O-CG1 3.39Å; E163-Y239 PolarHBondContact O-OH 3.04Å
164	E	91.2	Very high	85.2	Confident	4 Å²	4	40 Å²	40	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.3	176.2	-71.2	-179.8	-153.7	0	0	108.8	S155 T156 G158 T162 Y239 F245 L246 W248	S155-E164 CarbonylContact C-O 3.58Å; S155-E164 VanDerWaalsContact CA-O 3.25Å; S155-E164 WeakPolarHBondContact CA-O 3.36Å; T156-E164 HydrophobicContact CG2-CB 4.13Å; T156-E164 PolarHBondContact N-O 2.9Å; T156-E164 PolarHBondContact O-N 3.43Å; G158-E164 WeakPolarHBondContact CA-OE1 3.49Å; T162-E164 PolarHBondContact O-N 3.06Å; T162-E164 VanDerWaalsContact O-N 3.14Å; E164-Y239 HydrophobicContact CG-CE2 4.22Å; E164-F245 HydrophobicContact CG-CD1 4.45Å; E164-L246 HydrophobicContact CB-CD2 4.01Å; E164-L246 WeakPolarHBondContact OE2-CA 3.08Å; E164-L246 PolarHBondContact OE2-N 2.96Å; E164-W248 HydrophobicContact CB-CZ2 4.22Å; E164-W248 VanDerWaalsContact OE2-CD1 3.24Å; E164-W248 PolarHBondContact OE2-NE1 3.29Å
165	S	92.5	Very high	83.5	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.9	-172.6	-67.2	0	0	0	0	113.6	V154	V154-S165 CarbonylContact O-C 3.46Å; V154-S165 WeakPolarHBondContact O-CA 3.46Å
166	I	93.3	Very high	81.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.9	176.7	72.6	172.7	0	0	0	110.6	V153 V154 L168 V184 L246 W248 V249 Y252	V153-I166 WeakPolarHBondContact CA-O 3.23Å; V154-I166 HydrophobicContact CB-CG1 4.13Å; V154-I166 PolarHBondContact N-O 3.36Å; V154-I166 PolarHBondContact O-N 3.11Å; I166-L168 HydrophobicContact CD1-CD2 3.56Å; I166-L168 HydrophobicContact CD1-CG 3.92Å; I166-L168 HydrophobicContact CG1-CD2 4.36Å; I166-L168 HydrophobicContact CG1-CG 4.31Å; I166-V184 HydrophobicContact CD1-CG1 4.45Å; I166-L246 HydrophobicContact CG2-CD2 3.65Å; I166-W248 HydrophobicContact CB-CH2 4.23Å; I166-W248 HydrophobicContact CD1-CE3 4.28Å; I166-W248 HydrophobicContact CD1-CH2 3.86Å; I166-W248 HydrophobicContact CD1-CZ3 3.46Å; I166-W248 VanDerWaalsContact CD1-CZ3 3.46Å; I166-W248 HydrophobicContact CG1-CH2 3.68Å; I166-W248 HydrophobicContact CG1-CZ3 3.85Å; I166-W248 HydrophobicContact CG2-CH2 3.67Å; I166-W248 HydrophobicContact CG2-CZ2 3.83Å; I166-W248 HydrophobicContact CG2-CZ3 4.18Å; I166-V249 HydrophobicContact CG2-CG2 3.63Å; I166-Y252 HydrophobicContact CD1-CD2 3.82Å; I166-Y252 HydrophobicContact CD1-CE2 4.3Å; I166-Y252 HydrophobicContact CD1-CG 4.35Å
167	V	93.7	Very high	80.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.2	166.1	177.5	0	0	0	0	109.2	M151 L185 L187 F212 L227	M151-V167 HydrophobicContact CG-CG1 3.4Å; M151-V167 VanDerWaalsContact CG-CG1 3.4Å; M151-V167 HydrophobicContact SD-CG1 4Å; V167-L185 HydrophobicContact CB-CB 4.17Å; V167-L185 PolarHBondContact N-O 3.33Å; V167-L185 PolarHBondContact O-N 3.37Å; V167-L187 HydrophobicContact CG2-CD1 4.15Å; V167-L187 HydrophobicContact CG2-CD2 4.07Å; V167-L187 HydrophobicContact CG2-CG 4.31Å; V167-F212 HydrophobicContact CG1-CE1 4.08Å; V167-F212 HydrophobicContact CG1-CZ 4.03Å; V167-L227 HydrophobicContact CG2-CD2 3.42Å; V167-L227 VanDerWaalsContact CG2-CD2 3.42Å
168	L	93.2	Very high	79.8	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135	166.9	-63.6	-176.9	0	0	0	109.7	L128 V152 V154 I166 I170 V181 L183 V184 Y252	L128-L168 HydrophobicContact CD2-CD1 3.77Å; V152-L168 PolarHBondContact N-O 3.29Å; V152-L168 PolarHBondContact O-N 3.03Å; V154-L168 HydrophobicContact CG2-CD1 3.88Å; V154-L168 HydrophobicContact CG2-CG 4.2Å; I166-L168 HydrophobicContact CD1-CD2 3.56Å; I166-L168 HydrophobicContact CD1-CG 3.92Å; I166-L168 HydrophobicContact CG1-CD2 4.36Å; I166-L168 HydrophobicContact CG1-CG 4.31Å; L168-I170 HydrophobicContact CB-CG1 4.2Å; L168-V181 HydrophobicContact CD2-CG1 4.31Å; L168-L183 WeakPolarHBondContact CA-O 3.5Å; L168-V184 HydrophobicContact CD2-CB 4.31Å; L168-V184 HydrophobicContact CD2-CG1 4.02Å; L168-V184 HydrophobicContact CD2-CG2 3.9Å; L168-Y252 HydrophobicContact CD1-CD1 3.85Å; L168-Y252 HydrophobicContact CD1-CE1 3.86Å; L168-Y252 HydrophobicContact CD1-CG 4.37Å; L168-Y252 HydrophobicContact CD2-CD1 4.11Å; L168-Y252 HydrophobicContact CD2-CG 3.97Å
169	G	91.6	Very high	80.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.6	161.2	0	0	0	0	0	109.5	Y150 G182 L183 W266	Y150-G169 WeakPolarHBondContact O-CA 3.19Å; G169-G182 PolarHBondContact O-N 3.42Å; G169-L183 PolarHBondContact N-O 2.85Å; G169-L183 PolarHBondContact O-N 2.96Å; G169-W266 VanDerWaalsContact C-CZ2 3.43Å
170	I	91.1	Very high	81.2	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	-179.2	-56.9	-173.3	0	0	0	109.7	M124 Y150 V152 L168 F172 C179 T180	M124-I170 HydrophobicContact CB-CD1 4.4Å; M124-I170 HydrophobicContact CG-CD1 3.99Å; M124-I170 HydrophobicContact CG-CG2 4.45Å; Y150-I170 PolarHBondContact N-O 3.01Å; Y150-I170 PolarHBondContact O-N 3Å; V152-I170 HydrophobicContact CB-CD1 4.31Å; V152-I170 HydrophobicContact CG2-CB 4.49Å; V152-I170 HydrophobicContact CG2-CD1 3.88Å; V152-I170 HydrophobicContact CG2-CG1 4.14Å; L168-I170 HydrophobicContact CB-CG1 4.2Å; I170-F172 HydrophobicContact CG2-CD2 4.29Å; I170-F172 HydrophobicContact CG2-CE2 3.74Å; I170-F172 HydrophobicContact CG2-CZ 4.48Å; I170-C179 HydrophobicContact CG2-CB 3.64Å; I170-T180 CarbonylContact C-O 3.54Å; I170-T180 VanDerWaalsContact CA-O 3.32Å; I170-T180 WeakPolarHBondContact CA-O 3.47Å
171	D	90.5	Very high	82.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.2	177.7	-55.7	-71.4	0	0	0	111.5	V147 R149 C179 T180 S258 W266	V147-D171 HydrophobicContact CG1-CB 4.19Å; R149-D171 IonicContact CZ-OD1 3.18Å; R149-D171 IonicContact NE-OD1 3.36Å; R149-D171 PolarHBondContact NE-OD1 2.91Å; R149-D171 IonicContact NH2-OD1 2.8Å; R149-D171 PolarHBondContact NH2-OD1 3.09Å; D171-C179 WeakPolarHBondContact O-CA 3.38Å; D171-T180 PolarHBondContact N-O 2.69Å; D171-T180 PolarHBondContact O-N 3.5Å; D171-T180 PolarHBondContact O-OG1 3.43Å; D171-S258 WeakPolarHBondContact OD2-CB 3.27Å; D171-S258 PolarHBondContact OD2-OG 3.21Å; D171-W266 VanDerWaalsContact CG-NE1 3.29Å; D171-W266 PolarHBondContact OD1-NE1 3.39Å; D171-W266 VanDerWaalsContact OD1-NE1 3.09Å; D171-W266 PolarHBondContact OD2-NE1 3.09Å
172	F	86.3	Confident	82.6	Confident	7 Å²	7	30.9 Å²	30.9	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	170.4	-70.7	-104	0	0	0	109.2	H120 T123 M124 V147 T148 Y150 I170 C179	H120-F172 HydrophobicContact CB-CD1 4.37Å; H120-F172 HydrophobicContact CB-CE1 3.74Å; H120-F172 HydrophobicContact CB-CE2 4.03Å; H120-F172 HydrophobicContact CB-CZ 3.55Å; H120-F172 AromaticContact CD2-CD1 3.53Å; H120-F172 AromaticContact CD2-CE1 3.58Å; H120-F172 AromaticContact CG-CD1 3.94Å; H120-F172 AromaticContact CG-CE1 3.78Å; H120-F172 WeakPolarHBondContact O-CZ 3.5Å; T123-F172 HydrophobicContact CG2-CE1 3.98Å; M124-F172 HydrophobicContact CE-CE2 3.69Å; M124-F172 HydrophobicContact CE-CZ 4.13Å; M124-F172 HydrophobicContact CG-CE2 4.26Å; M124-F172 HydrophobicContact CG-CZ 4.03Å; V147-F172 CarbonylContact C-O 3.42Å; V147-F172 VanDerWaalsContact CA-O 3.31Å; V147-F172 WeakPolarHBondContact CA-O 3.32Å; T148-F172 PolarHBondContact N-O 2.73Å; T148-F172 WeakPolarHBondContact O-CB 3.25Å; T148-F172 PolarHBondContact O-N 3.19Å; Y150-F172 AromaticContact CD2-CD2 3.73Å; Y150-F172 HydrophobicContact CD2-CD2 3.73Å; Y150-F172 AromaticContact CD2-CE2 3.71Å; Y150-F172 HydrophobicContact CD2-CE2 3.71Å; Y150-F172 AromaticContact CE2-CD2 3.83Å; Y150-F172 HydrophobicContact CE2-CD2 3.83Å; Y150-F172 AromaticContact CE2-CE2 3.89Å; Y150-F172 HydrophobicContact CE2-CE2 3.89Å; I170-F172 HydrophobicContact CG2-CD2 4.29Å; I170-F172 HydrophobicContact CG2-CE2 3.74Å; I170-F172 HydrophobicContact CG2-CZ 4.48Å; F172-C179 HydrophobicContact CD1-CB 3.96Å; F172-C179 HydrophobicContact CD2-CB 4.08Å; F172-C179 HydrophobicContact CE1-CB 3.54Å; F172-C179 HydrophobicContact CE2-CB 3.65Å; F172-C179 HydrophobicContact CG-CB 4.21Å; F172-C179 HydrophobicContact CZ-CB 3.35Å
173	I	80.4	Confident	82.9	Confident	62 Å²	62	30.4 Å²	30.4	32%	0.318	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.8	173.8	-54.9	177.5	0	0	0	107.3	S175 D176	I173-S175 PolarHBondContact O-N 3.36Å; I173-D176 PolarHBondContact O-N 3.07Å; I173-D176 VanDerWaalsContact O-N 3.09Å
174	S	64.6	Low	83.1	Confident	91 Å²	91	29.1 Å²	29.1	64%	0.636	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.9	-165	-61.6	0	0	0	0	115.9	Q146	Q146-S174 WeakPolarHBondContact O-CB 3.38Å; Q146-S174 PolarHBondContact O-N 3.35Å; Q146-S174 PolarHBondContact O-OG 3.07Å
175	S	56.4	Low	83.1	Confident	92 Å²	92	29.1 Å²	29.1	64%	0.643	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-33.1	174.2	42	0	0	0	0	113.7	I173	I173-S175 PolarHBondContact O-N 3.36Å
176	D	55.2	Low	82.9	Confident	94 Å²	94	29.5 Å²	29.5	50%	0.503	19%	0.189	S	C	.	.			trans	-125.8	136.5	-159.8	-60.9	-75.4	0	0	0	112.4	I173 C178	I173-D176 PolarHBondContact O-N 3.07Å; I173-D176 VanDerWaalsContact O-N 3.09Å; D176-C178 VanDerWaalsContact CB-SG 3.57Å; D176-C178 PolarHBondContact O-N 3.27Å
177	S	64	Low	82.8	Confident	112 Å²	112	29.6 Å²	29.6	78%	0.783	19%	0.189	S	C	*	.	S	Bend	trans	-79.1	23.1	176.7	59.1	0	0	0	0	113.7	T123	T123-S177 WeakPolarHBondContact CG2-O 3.37Å
178	C	69.1	Low	82.6	Confident	73 Å²	73	31.3 Å²	31.3	49%	0.493	20%	0.196	S	C	.	.			trans	-103.9	158.4	172.5	64.6	0	0	0	0	110.9	D176	D176-C178 VanDerWaalsContact CB-SG 3.57Å; D176-C178 PolarHBondContact O-N 3.27Å
179	C	85.4	Confident	82.4	Confident	11 Å²	11	32.6 Å²	32.6	7%	0.074	21%	0.205	C	C	.	.			trans	-124.5	154.2	170.6	76.4	0	0	0	0	110.9	T123 V127 I170 D171 F172	T123-C179 HydrophobicContact CG2-CB 3.99Å; V127-C179 VanDerWaalsContact CG2-SG 3.56Å; I170-C179 HydrophobicContact CG2-CB 3.64Å; D171-C179 WeakPolarHBondContact O-CA 3.38Å; F172-C179 HydrophobicContact CD1-CB 3.96Å; F172-C179 HydrophobicContact CD2-CB 4.08Å; F172-C179 HydrophobicContact CE1-CB 3.54Å; F172-C179 HydrophobicContact CE2-CB 3.65Å; F172-C179 HydrophobicContact CG-CB 4.21Å; F172-C179 HydrophobicContact CZ-CB 3.35Å
180	T	87.4	Confident	82.1	Confident	30 Å²	30	36 Å²	36	18%	0.184	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.2	-174.9	47.2	0	0	0	0	110.5	I170 D171 S258	I170-T180 CarbonylContact C-O 3.54Å; I170-T180 VanDerWaalsContact CA-O 3.32Å; I170-T180 WeakPolarHBondContact CA-O 3.47Å; D171-T180 PolarHBondContact N-O 2.69Å; D171-T180 PolarHBondContact O-N 3.5Å; D171-T180 PolarHBondContact O-OG1 3.43Å; T180-S258 PolarHBondContact OG1-OG 3.27Å
181	V	90.4	Very high	82	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.1	178.6	-176.1	0	0	0	0	108.4	V127 L168 V184 V256 S257 S258	V127-V181 HydrophobicContact CG1-CG2 3.66Å; L168-V181 HydrophobicContact CD2-CG1 4.31Å; V181-V184 HydrophobicContact CG1-CG2 3.73Å; V181-V256 CarbonylContact O-C 3.58Å; V181-V256 VanDerWaalsContact O-CA 3.29Å; V181-V256 WeakPolarHBondContact O-CA 3.46Å; V181-V256 WeakPolarHBondContact O-CG1 3.44Å; V181-S257 PolarHBondContact N-OG 2.98Å; V181-S257 PolarHBondContact O-N 3.32Å; V181-S258 PolarHBondContact O-N 3.17Å; V181-S258 VanDerWaalsContact O-N 3.13Å; V181-S258 PolarHBondContact O-OG 3.21Å
182	G	87.1	Confident	81.7	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-20.3	-178.4	0	0	0	0	0	114.4	G169 S258	G169-G182 PolarHBondContact O-N 3.42Å; G182-S258 WeakPolarHBondContact CA-OG 3.31Å; G182-S258 PolarHBondContact N-OG 3.38Å; G182-S258 VanDerWaalsContact N-OG 3.08Å
183	L	90.2	Very high	81.8	Confident	7 Å²	7	43 Å²	43	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.1	175.9	-179.8	62.4	0	0	0	110.8	L168 G169 L185 H210 F212 W266	L168-L183 WeakPolarHBondContact CA-O 3.5Å; G169-L183 PolarHBondContact N-O 2.85Å; G169-L183 PolarHBondContact O-N 2.96Å; L183-L185 HydrophobicContact CG-CB 4.43Å; L183-H210 HydrophobicContact CD2-CB 4.39Å; L183-F212 HydrophobicContact CD2-CE1 3.94Å; L183-F212 HydrophobicContact CD2-CZ 3.76Å; L183-W266 HydrophobicContact CB-CB 4.15Å; L183-W266 HydrophobicContact CB-CD2 3.82Å; L183-W266 HydrophobicContact CB-CE3 4Å; L183-W266 HydrophobicContact CB-CG 3.93Å; L183-W266 HydrophobicContact CD2-CD2 4.37Å; L183-W266 HydrophobicContact CD2-CE3 3.71Å; L183-W266 HydrophobicContact CD2-CZ3 4.17Å
184	V	91.6	Very high	81.8	Confident	18 Å²	18	45.2 Å²	45.2	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	107.1	171.1	-174.4	0	0	0	0	108.3	I166 L168 V181 V249 Q253 V256	I166-V184 HydrophobicContact CD1-CG1 4.45Å; L168-V184 HydrophobicContact CD2-CB 4.31Å; L168-V184 HydrophobicContact CD2-CG1 4.02Å; L168-V184 HydrophobicContact CD2-CG2 3.9Å; V181-V184 HydrophobicContact CG1-CG2 3.73Å; V184-V249 HydrophobicContact CG1-CG1 4.07Å; V184-Q253 HydrophobicContact CB-CG 4.07Å; V184-Q253 HydrophobicContact CG1-CG 3.92Å; V184-V256 HydrophobicContact CG2-CG2 3.88Å
185	L	90.5	Very high	82.4	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	103.4	-174.3	177.4	60	0	0	0	110	V167 L183 V203 T205 H210 F212	V167-L185 HydrophobicContact CB-CB 4.17Å; V167-L185 PolarHBondContact N-O 3.33Å; V167-L185 PolarHBondContact O-N 3.37Å; L183-L185 HydrophobicContact CG-CB 4.43Å; L185-V203 HydrophobicContact CD2-CB 3.99Å; L185-V203 HydrophobicContact CD2-CG1 3.9Å; L185-T205 HydrophobicContact CD1-CG2 3.75Å; L185-H210 HydrophobicContact CD2-CB 4.36Å; L185-F212 HydrophobicContact CD2-CE2 4.08Å; L185-F212 HydrophobicContact CD2-CZ 3.97Å
186	P	90	Very high	82.9	Confident	15 Å²	15	39.1 Å²	39.1	10%	0.097	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.8	174.5	28.4	-34.8	0	0	0	112	W188 L246 V249	P186-W188 HydrophobicContact CB-CH2 4.39Å; P186-W188 HydrophobicContact CB-CZ2 3.69Å; P186-W188 HydrophobicContact CG-CZ2 3.67Å; P186-L246 HydrophobicContact CB-CD1 4.28Å; P186-V249 HydrophobicContact CB-CG1 4.4Å; P186-V249 HydrophobicContact CB-CG2 3.94Å; P186-V249 HydrophobicContact CG-CG1 4.46Å
187	L	90.3	Very high	83	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	20%	0.199	C	C	.	.			trans	-104	100.8	178.8	-59.5	177.3	0	0	0	110.4	V167 T191 V203 L227 A230 A234	V167-L187 HydrophobicContact CG2-CD1 4.15Å; V167-L187 HydrophobicContact CG2-CD2 4.07Å; V167-L187 HydrophobicContact CG2-CG 4.31Å; L187-T191 HydrophobicContact CD2-CG2 4.02Å; L187-V203 HydrophobicContact CD2-CG1 4.45Å; L187-L227 HydrophobicContact CD1-CD2 4.14Å; L187-L227 HydrophobicContact CD2-CD2 4.48Å; L187-A230 HydrophobicContact CD1-CB 3.56Å; L187-A234 WeakPolarHBondContact O-CB 3.49Å
188	W	89.9	Confident	82.8	Confident	36 Å²	36	31.8 Å²	31.8	14%	0.136	17%	0.174	C	C	.	.			trans	-90.4	167.2	176.8	-51.7	114.6	0	0	0	112.1	P186 D190 T191 Y239 Y240 P241 L246	P186-W188 HydrophobicContact CB-CH2 4.39Å; P186-W188 HydrophobicContact CB-CZ2 3.69Å; P186-W188 HydrophobicContact CG-CZ2 3.67Å; W188-D190 VanDerWaalsContact CB-OD1 3.24Å; W188-D190 WeakPolarHBondContact CB-OD1 3.26Å; W188-D190 PolarHBondContact O-N 2.9Å; W188-D190 VanDerWaalsContact O-N 3.17Å; W188-T191 PolarHBondContact N-OG1 3Å; W188-T191 WeakPolarHBondContact O-CB 3.46Å; W188-T191 PolarHBondContact O-N 3.46Å; W188-T191 VanDerWaalsContact O-N 3.1Å; W188-T191 PolarHBondContact O-OG1 3.36Å; W188-Y239 WeakPolarHBondContact CA-O 3.49Å; W188-Y240 VanDerWaalsContact CE3-C 3.41Å; W188-Y240 VanDerWaalsContact CZ3-C 3.47Å; W188-Y240 WeakPolarHBondContact CZ3-O 3.35Å; W188-P241 HydrophobicContact CD2-CG 3.92Å; W188-P241 HydrophobicContact CE3-CG 4.41Å; W188-P241 HydrophobicContact CG-CG 4.24Å; W188-P241 HydrophobicContact CZ2-CB 4.3Å; W188-P241 HydrophobicContact CZ2-CG 4.15Å; W188-L246 HydrophobicContact CD2-CD1 4.4Å; W188-L246 HydrophobicContact CE3-CD1 3.77Å; W188-L246 HydrophobicContact CH2-CB 4Å; W188-L246 HydrophobicContact CH2-CD1 4.13Å; W188-L246 HydrophobicContact CZ3-CB 3.96Å; W188-L246 HydrophobicContact CZ3-CD1 3.63Å; W188-L246 HydrophobicContact CZ3-CG 4.36Å
189	S	87.9	Confident	82.6	Confident	27 Å²	27	28.9 Å²	28.9	19%	0.189	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	178.7	54.5	0	0	0	0	115.3	A234 R235 Y239	S189-A234 WeakPolarHBondContact CB-O 3.25Å; S189-R235 WeakPolarHBondContact O-CG 3.41Å; S189-R235 PolarHBondContact O-NH1 3.21Å; S189-Y239 PolarHBondContact N-O 3.48Å; S189-Y239 PolarHBondContact OG-O 2.87Å
190	D	86.1	Confident	82.3	Confident	71 Å²	71	28.3 Å²	28.3	38%	0.38	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	7.9	178	58.3	5.4	0	0	0	113.3	W188 L192 V206	W188-D190 VanDerWaalsContact CB-OD1 3.24Å; W188-D190 WeakPolarHBondContact CB-OD1 3.26Å; W188-D190 PolarHBondContact O-N 2.9Å; W188-D190 VanDerWaalsContact O-N 3.17Å; D190-L192 PolarHBondContact O-N 2.86Å; D190-V206 WeakPolarHBondContact OD2-CG2 3.36Å
191	T	88.8	Confident	82.2	Confident	9 Å²	9	26.9 Å²	26.9	6%	0.055	14%	0.144	C	C	.	.			trans	-64.5	119.7	175.3	-49.6	0	0	0	0	110.1	L187 W188 V203 S204 T205	L187-T191 HydrophobicContact CD2-CG2 4.02Å; W188-T191 PolarHBondContact N-OG1 3Å; W188-T191 WeakPolarHBondContact O-CB 3.46Å; W188-T191 PolarHBondContact O-N 3.46Å; W188-T191 VanDerWaalsContact O-N 3.1Å; W188-T191 PolarHBondContact O-OG1 3.36Å; T191-V203 HydrophobicContact CG2-CG1 3.45Å; T191-V203 VanDerWaalsContact CG2-CG1 3.45Å; T191-S204 WeakPolarHBondContact CA-O 3.43Å; T191-T205 HydrophobicContact CG2-CG2 4.06Å
192	L	84.3	Confident	82	Confident	114 Å²	114	27.2 Å²	27.2	60%	0.597	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.8	176.2	-47.2	176.4	0	0	0	110.1	D190 S204	D190-L192 PolarHBondContact O-N 2.86Å; L192-S204 WeakPolarHBondContact CB-OG 3.42Å; L192-S204 PolarHBondContact N-O 3.27Å; L192-S204 PolarHBondContact O-N 3.44Å; L192-S204 PolarHBondContact O-OG 3.06Å
193	I	87.5	Confident	82	Confident	33 Å²	33	27.1 Å²	27.1	17%	0.169	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.1	177.9	-53.9	163.7	0	0	0	107.4	F201 S202 L224 L227	I193-F201 HydrophobicContact CG2-CD2 4.14Å; I193-S202 WeakPolarHBondContact CA-O 3.39Å; I193-L224 HydrophobicContact CG2-CD2 3.67Å; I193-L227 HydrophobicContact CD1-CB 3.57Å
194	H	81.1	Confident	81.7	Confident	107 Å²	107	28.3 Å²	28.3	50%	0.495	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.1	-177.9	-174.7	-117.8	0	0	0	110	F201 S202	H194-F201 CarbonylContact O-C 3.48Å; H194-F201 WeakPolarHBondContact O-CA 3.38Å; H194-F201 VanDerWaalsContact O-CB 3.27Å; H194-F201 WeakPolarHBondContact O-CB 3.3Å; H194-S202 PolarHBondContact N-O 2.84Å; H194-S202 PolarHBondContact O-N 2.64Å
195	L	78.4	Confident	81.1	Confident	28 Å²	28	28.6 Å²	28.6	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.7	176.1	-56	178.9	0	0	0	108.5	G197 F201 L224 I342	L195-G197 PolarHBondContact O-N 3.23Å; L195-F201 HydrophobicContact CD2-CB 4.13Å; L195-L224 HydrophobicContact CD2-CD1 3.78Å; L195-L224 HydrophobicContact CD2-CD2 4.08Å; L195-I342 HydrophobicContact CD1-CD1 3.61Å
196	D	66.9	Low	79.9	Confident	28 Å²	28	33.2 Å²	33.2	15%	0.15	18%	0.184	C	C	.	.			trans	-79.6	-1	178	-92.8	-63.1	0	0	0	112.5	D198 G200 S202 K334	D196-D198 PolarHBondContact O-N 3.1Å; D196-G200 PolarHBondContact N-O 2.6Å; D196-S202 WeakPolarHBondContact OD2-CB 3.47Å; D196-S202 PolarHBondContact OD2-N 3.27Å; D196-S202 PolarHBondContact OD2-OG 3.11Å; D196-K334 WeakPolarHBondContact O-CE 3.29Å; D196-K334 PolarHBondContact O-NZ 3.07Å
197	G	55.5	Low	78.6	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	67.6	-4.8	175.5	0	0	0	0	0	114.7	L195 R319 K334 D338	L195-G197 PolarHBondContact O-N 3.23Å; G197-R319 PolarHBondContact O-NE 3.47Å; G197-R319 VanDerWaalsContact O-NE 3.16Å; G197-R319 PolarHBondContact O-NH1 3.14Å; G197-R319 PolarHBondContact O-NH2 3.31Å; G197-R319 VanDerWaalsContact O-NH2 3.13Å; G197-K334 VanDerWaalsContact O-CE 3.27Å; G197-K334 WeakPolarHBondContact O-CE 3.45Å; G197-K334 WeakPolarHBondContact O-CG 3.49Å; G197-D338 VanDerWaalsContact C-OD2 3.24Å; G197-D338 VanDerWaalsContact CA-OD2 3.24Å; G197-D338 WeakPolarHBondContact CA-OD2 3.45Å
198	D	60.4	Low	77.7	Confident	50 Å²	50	46.4 Å²	46.4	27%	0.267	24%	0.243	S	C	.	.	S	Bend	trans	-92.4	-11.5	177.9	73.4	-4.6	0	0	0	112.7	D196 G200 K213 R319	D196-D198 PolarHBondContact O-N 3.1Å; D198-G200 PolarHBondContact OD1-N 2.89Å; D198-K213 WeakPolarHBondContact OD2-CE 3.49Å; D198-K213 IonicContact OD2-NZ 2.78Å; D198-K213 PolarHBondContact OD2-NZ 2.87Å; D198-R319 PolarHBondContact O-NH1 2.89Å; D198-R319 VanDerWaalsContact O-NH1 3.14Å; D198-R319 PolarHBondContact O-NH2 2.74Å; D198-R319 VanDerWaalsContact O-NH2 3.11Å
199	G	64.8	Low	77.3	Confident	11 Å²	11	47.3 Å²	47.3	11%	0.113	25%	0.252	C	S	.	.	S	Bend	trans	119.4	-7.7	-174.8	0	0	0	0	0	112.8	M220 S315	G199-M220 VanDerWaalsContact O-SD 3.38Å; G199-S315 WeakPolarHBondContact CA-OG 3.32Å
200	G	79.3	Confident	77.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.			trans	-95.8	173.6	163.8	0	0	0	0	0	114.9	D196 D198 F212	D196-G200 PolarHBondContact N-O 2.6Å; D198-G200 PolarHBondContact OD1-N 2.89Å; G200-F212 CarbonylContact C-O 3.59Å; G200-F212 WeakPolarHBondContact CA-O 3.4Å
201	F	85.1	Confident	77.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	168	62.5	-90.9	0	0	0	109.7	M151 I193 H194 L195 V203 F212 P214 M220 A223 L224 L227	M151-F201 HydrophobicContact CE-CZ 4.17Å; M151-F201 HydrophobicContact SD-CE2 4.27Å; M151-F201 HydrophobicContact SD-CZ 3.79Å; I193-F201 HydrophobicContact CG2-CD2 4.14Å; H194-F201 CarbonylContact O-C 3.48Å; H194-F201 WeakPolarHBondContact O-CA 3.38Å; H194-F201 VanDerWaalsContact O-CB 3.27Å; H194-F201 WeakPolarHBondContact O-CB 3.3Å; L195-F201 HydrophobicContact CD2-CB 4.13Å; F201-V203 HydrophobicContact CD2-CG2 3.86Å; F201-V203 HydrophobicContact CE2-CG2 3.67Å; F201-F212 HydrophobicContact CD1-CB 4.48Å; F201-F212 HydrophobicContact CD2-CB 4.36Å; F201-F212 HydrophobicContact CD2-CD2 4.27Å; F201-F212 HydrophobicContact CE1-CB 3.98Å; F201-F212 HydrophobicContact CE2-CB 3.82Å; F201-F212 AromaticContact CE2-CD2 3.71Å; F201-F212 HydrophobicContact CE2-CD2 3.71Å; F201-F212 AromaticContact CE2-CG 3.99Å; F201-F212 HydrophobicContact CE2-CG 3.99Å; F201-F212 HydrophobicContact CZ-CB 3.61Å; F201-F212 HydrophobicContact CZ-CD2 4.28Å; F201-F212 HydrophobicContact CZ-CG 4.08Å; F201-F212 PolarHBondContact N-O 2.99Å; F201-F212 PolarHBondContact O-N 2.9Å; F201-P214 HydrophobicContact CD1-CG 4.28Å; F201-P214 HydrophobicContact CE1-CG 3.75Å; F201-M220 HydrophobicContact CD1-CG 4.08Å; F201-A223 HydrophobicContact CE1-CB 3.58Å; F201-A223 HydrophobicContact CZ-CB 3.67Å; F201-L224 HydrophobicContact CB-CD2 4.01Å; F201-L224 HydrophobicContact CD1-CD2 4.14Å; F201-L224 HydrophobicContact CD1-CG 4.45Å; F201-L224 HydrophobicContact CD2-CD2 4.28Å; F201-L224 HydrophobicContact CG-CD2 3.88Å; F201-L227 HydrophobicContact CD2-CD1 4.28Å; F201-L227 HydrophobicContact CE2-CD1 3.34Å; F201-L227 HydrophobicContact CZ-CD1 3.7Å
202	S	85.3	Confident	77.1	Confident	8 Å²	8	44.7 Å²	44.7	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.5	171	17.9	0	0	0	0	110.4	I193 H194 D196 H210	I193-S202 WeakPolarHBondContact CA-O 3.39Å; H194-S202 PolarHBondContact N-O 2.84Å; H194-S202 PolarHBondContact O-N 2.64Å; D196-S202 WeakPolarHBondContact OD2-CB 3.47Å; D196-S202 PolarHBondContact OD2-N 3.27Å; D196-S202 PolarHBondContact OD2-OG 3.11Å; S202-H210 CarbonylContact C-O 3.5Å; S202-H210 WeakPolarHBondContact CA-O 3.32Å
203	V	88.4	Confident	77.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.4	164.7	-174.4	0	0	0	0	107.6	L185 L187 T191 F201 H210 F212 L227	L185-V203 HydrophobicContact CD2-CB 3.99Å; L185-V203 HydrophobicContact CD2-CG1 3.9Å; L187-V203 HydrophobicContact CD2-CG1 4.45Å; T191-V203 HydrophobicContact CG2-CG1 3.45Å; T191-V203 VanDerWaalsContact CG2-CG1 3.45Å; F201-V203 HydrophobicContact CD2-CG2 3.86Å; F201-V203 HydrophobicContact CE2-CG2 3.67Å; V203-H210 PolarHBondContact N-O 3.06Å; V203-H210 PolarHBondContact O-N 2.95Å; V203-F212 HydrophobicContact CB-CD2 4.49Å; V203-F212 HydrophobicContact CB-CE2 3.95Å; V203-F212 HydrophobicContact CG2-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CE2 3.69Å; V203-L227 HydrophobicContact CG2-CD1 4.09Å
204	S	83.8	Confident	77.2	Confident	31 Å²	31	40 Å²	40	22%	0.217	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.6	-179.9	64.4	0	0	0	0	111.2	T191 L192	T191-S204 WeakPolarHBondContact CA-O 3.43Å; L192-S204 WeakPolarHBondContact CB-OG 3.42Å; L192-S204 PolarHBondContact N-O 3.27Å; L192-S204 PolarHBondContact O-N 3.44Å; L192-S204 PolarHBondContact O-OG 3.06Å
205	T	78.4	Confident	77.3	Confident	24 Å²	24	37 Å²	37	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.9	172.7	57.4	0	0	0	0	107.5	L185 T191 N207 R208	L185-T205 HydrophobicContact CD1-CG2 3.75Å; T191-T205 HydrophobicContact CG2-CG2 4.06Å; T205-N207 PolarHBondContact O-N 2.88Å; T205-R208 PolarHBondContact N-O 3.49Å; T205-R208 PolarHBondContact O-N 3.25Å; T205-R208 VanDerWaalsContact O-O 3.05Å; T205-R208 PolarHBondContact OG1-O 2.93Å
206	V	65.8	Low	77.2	Confident	102 Å²	102	36.1 Å²	36.1	62%	0.618	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41.7	-37.6	-170.7	-171.2	0	0	0	0	115	D190	D190-V206 WeakPolarHBondContact OD2-CG2 3.36Å
207	N	63.2	Low	77.5	Confident	149 Å²	149	35 Å²	35	80%	0.797	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-9.3	-176.8	-67.5	2.9	0	0	0	115.3	T205	T205-N207 PolarHBondContact O-N 2.88Å
208	R	71.4	Confident	78.3	Confident	145 Å²	145	38.4 Å²	38.4	55%	0.547	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.4	-175.7	-67.2	-168.3	-177.2	-168.7	-1	114	T205 H210 N267	T205-R208 PolarHBondContact N-O 3.49Å; T205-R208 PolarHBondContact O-N 3.25Å; T205-R208 VanDerWaalsContact O-O 3.05Å; T205-R208 PolarHBondContact OG1-O 2.93Å; R208-H210 VanDerWaalsContact CB-CE1 3.43Å; R208-H210 WeakPolarHBondContact CB-CE1 3.33Å; R208-N267 PolarHBondContact NH1-OD1 2.86Å
209	V	81.6	Confident	79.1	Confident	55 Å²	55	36 Å²	36	33%	0.333	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.3	165.2	-171.5	0	0	0	0	108.7
210	H	84.7	Confident	79.9	Confident	12 Å²	12	35.7 Å²	35.7	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.4	174.2	-54.1	89.8	0	0	0	109.5	L183 L185 S202 V203 R208 F212	L183-H210 HydrophobicContact CD2-CB 4.39Å; L185-H210 HydrophobicContact CD2-CB 4.36Å; S202-H210 CarbonylContact C-O 3.5Å; S202-H210 WeakPolarHBondContact CA-O 3.32Å; V203-H210 PolarHBondContact N-O 3.06Å; V203-H210 PolarHBondContact O-N 2.95Å; R208-H210 VanDerWaalsContact CB-CE1 3.43Å; R208-H210 WeakPolarHBondContact CB-CE1 3.33Å; H210-F212 HydrophobicContact CB-CE2 3.85Å; H210-F212 HydrophobicContact CB-CZ 4.13Å
211	V	84.6	Confident	79.8	Confident	39 Å²	39	41.3 Å²	41.3	24%	0.236	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.8	-179.4	-175.1	0	0	0	0	109.6	K213	V211-K213 HydrophobicContact CG1-CG 4.4Å
212	F	88.4	Confident	79.6	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129	178.2	-61.3	-90.9	0	0	0	109.4	L140 M151 V167 L183 L185 G200 F201 V203 H210 P214 W266	L140-F212 HydrophobicContact CD1-CD1 3.9Å; L140-F212 HydrophobicContact CD2-CB 4.36Å; M151-F212 HydrophobicContact CB-CD1 3.98Å; M151-F212 HydrophobicContact CB-CE1 4.27Å; M151-F212 HydrophobicContact CG-CD1 3.73Å; M151-F212 HydrophobicContact CG-CE1 3.68Å; M151-F212 HydrophobicContact SD-CD1 3.67Å; M151-F212 HydrophobicContact SD-CD2 4.46Å; M151-F212 HydrophobicContact SD-CE1 3.91Å; M151-F212 HydrophobicContact SD-CG 3.97Å; M151-F212 HydrophobicContact SD-CZ 4.4Å; V167-F212 HydrophobicContact CG1-CE1 4.08Å; V167-F212 HydrophobicContact CG1-CZ 4.03Å; L183-F212 HydrophobicContact CD2-CE1 3.94Å; L183-F212 HydrophobicContact CD2-CZ 3.76Å; L185-F212 HydrophobicContact CD2-CE2 4.08Å; L185-F212 HydrophobicContact CD2-CZ 3.97Å; G200-F212 CarbonylContact C-O 3.59Å; G200-F212 WeakPolarHBondContact CA-O 3.4Å; F201-F212 HydrophobicContact CD1-CB 4.48Å; F201-F212 HydrophobicContact CD2-CB 4.36Å; F201-F212 HydrophobicContact CD2-CD2 4.27Å; F201-F212 HydrophobicContact CE1-CB 3.98Å; F201-F212 HydrophobicContact CE2-CB 3.82Å; F201-F212 AromaticContact CE2-CD2 3.71Å; F201-F212 HydrophobicContact CE2-CD2 3.71Å; F201-F212 AromaticContact CE2-CG 3.99Å; F201-F212 HydrophobicContact CE2-CG 3.99Å; F201-F212 HydrophobicContact CZ-CB 3.61Å; F201-F212 HydrophobicContact CZ-CD2 4.28Å; F201-F212 HydrophobicContact CZ-CG 4.08Å; F201-F212 PolarHBondContact N-O 2.99Å; F201-F212 PolarHBondContact O-N 2.9Å; V203-F212 HydrophobicContact CB-CD2 4.49Å; V203-F212 HydrophobicContact CB-CE2 3.95Å; V203-F212 HydrophobicContact CG2-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CE2 3.69Å; H210-F212 HydrophobicContact CB-CE2 3.85Å; H210-F212 HydrophobicContact CB-CZ 4.13Å; F212-P214 WeakPolarHBondContact O-CD 3.48Å; F212-W266 HydrophobicContact CD1-CZ3 4.04Å; F212-W266 AromaticContact CE1-CZ3 3.79Å; F212-W266 HydrophobicContact CE1-CZ3 3.79Å
213	K	86.8	Confident	79.5	Confident	40 Å²	40	42.1 Å²	42.1	17%	0.174	22%	0.215	C	C	.	.			trans	-117.6	93.8	-178.9	-67	-178.6	177.1	-172.3	0	110.9	L140 E141 D198 V211	L140-K213 CarbonylContact C-O 3.35Å; L140-K213 WeakPolarHBondContact CA-O 3.45Å; L140-K213 WeakPolarHBondContact CB-O 3.44Å; E141-K213 HydrophobicContact CB-CB 4.22Å; E141-K213 HydrophobicContact CG-CB 4.37Å; E141-K213 PolarHBondContact N-O 3.38Å; D198-K213 WeakPolarHBondContact OD2-CE 3.49Å; D198-K213 IonicContact OD2-NZ 2.78Å; D198-K213 PolarHBondContact OD2-NZ 2.87Å; V211-K213 HydrophobicContact CG1-CG 4.4Å
214	P	87.3	Confident	79.2	Confident	7 Å²	7	42.5 Å²	42.5	5%	0.045	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-72.2	145.7	-177.7	-22.1	37.6	0	0	0	112.8	V138 L140 F201 F212 S216 A219 M220	V138-P214 HydrophobicContact CG1-CB 3.85Å; V138-P214 HydrophobicContact CG1-CG 4.24Å; L140-P214 HydrophobicContact CD2-CG 4.35Å; F201-P214 HydrophobicContact CD1-CG 4.28Å; F201-P214 HydrophobicContact CE1-CG 3.75Å; F212-P214 WeakPolarHBondContact O-CD 3.48Å; P214-S216 PolarHBondContact O-N 3.42Å; P214-A219 HydrophobicContact CB-CB 4.11Å; P214-M220 HydrophobicContact CB-CB 4.05Å; P214-M220 HydrophobicContact CG-CB 3.82Å; P214-M220 HydrophobicContact CG-CG 4.22Å
215	V	82.5	Confident	79	Confident	46 Å²	46	46.3 Å²	46.3	28%	0.279	23%	0.232	S	C	.	.	S	Bend	trans	-69.3	-1.7	-176.7	-60.2	0	0	0	0	116	R139 L140	R139-V215 HydrophobicContact CB-CG1 4.24Å; R139-V215 HydrophobicContact CB-CG2 3.94Å; R139-V215 HydrophobicContact CG-CG1 3.85Å; R139-V215 HydrophobicContact CG-CG2 4.33Å; R139-V215 PolarHBondContact O-N 2.85Å; R139-V215 VanDerWaalsContact O-N 3.12Å; L140-V215 VanDerWaalsContact C-CG1 3.4Å; L140-V215 WeakPolarHBondContact O-CG1 3.27Å
216	S	76.5	Confident	79.3	Confident	8 Å²	8	46 Å²	46	6%	0.056	23%	0.231	C	C	.	.	S	Bend	trans	-159.9	155.9	175.6	67.6	0	0	0	0	110.9	K86 P214 Q218 A219 M220	K86-S216 PolarHBondContact O-OG 3.19Å; K86-S216 VanDerWaalsContact O-OG 3.11Å; P214-S216 PolarHBondContact O-N 3.42Å; S216-Q218 VanDerWaalsContact C-N 3.25Å; S216-Q218 PolarHBondContact O-N 3.08Å; S216-A219 PolarHBondContact O-N 2.81Å; S216-A219 VanDerWaalsContact O-N 3.12Å; S216-A219 VanDerWaalsContact OG-CB 3.27Å; S216-A219 WeakPolarHBondContact OG-CB 3.32Å; S216-A219 PolarHBondContact OG-N 2.88Å; S216-A219 VanDerWaalsContact OG-N 3.17Å; S216-M220 PolarHBondContact O-N 3.48Å
217	V	74.7	Confident	80.4	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-35	178.9	-167.6	0	0	0	0	111.3	M220 W221 S315 I318 M341 L345	V217-M220 HydrophobicContact CG1-CE 4.11Å; V217-M220 WeakPolarHBondContact O-CB 3.24Å; V217-M220 PolarHBondContact O-N 3.15Å; V217-W221 PolarHBondContact O-N 3.09Å; V217-S315 VanDerWaalsContact CG2-N 3.33Å; V217-I318 HydrophobicContact CG2-CD1 4.3Å; V217-M341 HydrophobicContact CG1-CE 4.11Å; V217-M341 HydrophobicContact CG1-CG 4.39Å; V217-M341 HydrophobicContact CG1-SD 3.77Å; V217-M341 HydrophobicContact CG2-SD 4.17Å; V217-L345 HydrophobicContact CG1-CD1 3.65Å
218	Q	71.2	Confident	81.5	Confident	73 Å²	73	39.1 Å²	39.1	34%	0.341	19%	0.187	S	C	.	.	H	α-helix	trans	-67.9	-35.3	175.2	-156.7	-177.1	13.9	0	0	112.5	V85 S216 S222	V85-Q218 HydrophobicContact CG1-CB 4.08Å; V85-Q218 VanDerWaalsContact CG1-CD 3.47Å; V85-Q218 HydrophobicContact CG1-CG 3.75Å; V85-Q218 VanDerWaalsContact CG1-OE1 3.31Å; S216-Q218 VanDerWaalsContact C-N 3.25Å; S216-Q218 PolarHBondContact O-N 3.08Å; Q218-S222 WeakPolarHBondContact O-CB 3.39Å; Q218-S222 PolarHBondContact O-N 3.28Å; Q218-S222 PolarHBondContact O-OG 2.91Å
219	A	76.8	Confident	82.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.6	-35	172.5	0	0	0	0	0	112	A88 V138 P214 S216 S222 A223	A88-A219 HydrophobicContact CB-CB 4.04Å; V138-A219 HydrophobicContact CG1-CB 4.17Å; P214-A219 HydrophobicContact CB-CB 4.11Å; S216-A219 PolarHBondContact O-N 2.81Å; S216-A219 VanDerWaalsContact O-N 3.12Å; S216-A219 VanDerWaalsContact OG-CB 3.27Å; S216-A219 WeakPolarHBondContact OG-CB 3.32Å; S216-A219 PolarHBondContact OG-N 2.88Å; S216-A219 VanDerWaalsContact OG-N 3.17Å; A219-S222 PolarHBondContact O-N 3.08Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.05Å
220	M	83.1	Confident	82.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-47.8	171.5	-176.7	178.2	72.2	0	0	112.2	G199 F201 P214 S216 V217 S222 A223 L224 M341	G199-M220 VanDerWaalsContact O-SD 3.38Å; F201-M220 HydrophobicContact CD1-CG 4.08Å; P214-M220 HydrophobicContact CB-CB 4.05Å; P214-M220 HydrophobicContact CG-CB 3.82Å; P214-M220 HydrophobicContact CG-CG 4.22Å; S216-M220 PolarHBondContact O-N 3.48Å; V217-M220 HydrophobicContact CG1-CE 4.11Å; V217-M220 WeakPolarHBondContact O-CB 3.24Å; V217-M220 PolarHBondContact O-N 3.15Å; M220-S222 VanDerWaalsContact C-N 3.29Å; M220-S222 PolarHBondContact O-N 3.46Å; M220-A223 WeakPolarHBondContact O-CB 3.27Å; M220-A223 PolarHBondContact O-N 2.87Å; M220-A223 VanDerWaalsContact O-N 3.13Å; M220-L224 HydrophobicContact CG-CD1 4.03Å; M220-L224 HydrophobicContact CG-CG 4.43Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 2.89Å; M220-M341 HydrophobicContact CE-CE 3.92Å
221	W	76.2	Confident	82.5	Confident	119 Å²	119	34.6 Å²	34.6	45%	0.451	17%	0.169	S	C	.	.	H	α-helix	trans	-59.2	-41.8	175.8	-175.9	-117	0	0	0	112.2	V217 A223 L224 Q225 I342	V217-W221 PolarHBondContact O-N 3.09Å; W221-A223 VanDerWaalsContact C-N 3.35Å; W221-A223 PolarHBondContact O-N 3.34Å; W221-L224 PolarHBondContact O-N 3.24Å; W221-Q225 WeakPolarHBondContact O-CB 3.5Å; W221-Q225 PolarHBondContact O-N 3.05Å; W221-I342 HydrophobicContact CE3-CG2 4.19Å; W221-I342 HydrophobicContact CH2-CG2 4.07Å; W221-I342 HydrophobicContact CZ3-CG2 3.51Å
222	S	80.2	Confident	82.4	Confident	24 Å²	24	37.6 Å²	37.6	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-42.2	174.8	-57	0	0	0	0	112.2	L136 Q218 A219 M220 S226	L136-S222 VanDerWaalsContact CD2-O 3.29Å; L136-S222 WeakPolarHBondContact CD2-O 3.48Å; Q218-S222 WeakPolarHBondContact O-CB 3.39Å; Q218-S222 PolarHBondContact O-N 3.28Å; Q218-S222 PolarHBondContact O-OG 2.91Å; A219-S222 PolarHBondContact O-N 3.08Å; M220-S222 VanDerWaalsContact C-N 3.29Å; M220-S222 PolarHBondContact O-N 3.46Å; S222-S226 PolarHBondContact O-N 3.44Å
223	A	84.3	Confident	82.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-54.7	175.2	0	0	0	0	0	111.7	L136 V138 M151 F201 A219 M220 W221 Q225 S226 L227	L136-A223 HydrophobicContact CD2-CB 4.46Å; V138-A223 HydrophobicContact CG2-CB 4.23Å; M151-A223 HydrophobicContact CE-CB 3.71Å; F201-A223 HydrophobicContact CE1-CB 3.58Å; F201-A223 HydrophobicContact CZ-CB 3.67Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.05Å; M220-A223 WeakPolarHBondContact O-CB 3.27Å; M220-A223 PolarHBondContact O-N 2.87Å; M220-A223 VanDerWaalsContact O-N 3.13Å; W221-A223 VanDerWaalsContact C-N 3.35Å; W221-A223 PolarHBondContact O-N 3.34Å; A223-Q225 PolarHBondContact O-N 2.76Å; A223-S226 PolarHBondContact O-N 3.28Å; A223-L227 WeakPolarHBondContact O-CB 3.13Å; A223-L227 VanDerWaalsContact O-CG 3.25Å; A223-L227 WeakPolarHBondContact O-CG 2.93Å; A223-L227 PolarHBondContact O-N 3.46Å
224	L	81	Confident	82.4	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-56.6	-48.7	-179.7	-66.9	169.6	0	0	0	111.2	I193 L195 F201 M220 W221 S226 L227 H228 I342	I193-L224 HydrophobicContact CG2-CD2 3.67Å; L195-L224 HydrophobicContact CD2-CD1 3.78Å; L195-L224 HydrophobicContact CD2-CD2 4.08Å; F201-L224 HydrophobicContact CB-CD2 4.01Å; F201-L224 HydrophobicContact CD1-CD2 4.14Å; F201-L224 HydrophobicContact CD1-CG 4.45Å; F201-L224 HydrophobicContact CD2-CD2 4.28Å; F201-L224 HydrophobicContact CG-CD2 3.88Å; M220-L224 HydrophobicContact CG-CD1 4.03Å; M220-L224 HydrophobicContact CG-CG 4.43Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 2.89Å; W221-L224 PolarHBondContact O-N 3.24Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.46Å; L224-L227 PolarHBondContact O-N 2.82Å; L224-H228 WeakPolarHBondContact O-CB 3.34Å; L224-H228 PolarHBondContact O-CD2 2.92Å; L224-H228 PolarHBondContact O-N 2.97Å; L224-I342 HydrophobicContact CD1-CD1 4.33Å
225	Q	80.4	Confident	82.3	Confident	112 Å²	112	43.4 Å²	43.4	52%	0.523	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-41.9	-179.8	-169	-178.2	37.1	0	0	112.5	W221 A223 K229	W221-Q225 WeakPolarHBondContact O-CB 3.5Å; W221-Q225 PolarHBondContact O-N 3.05Å; A223-Q225 PolarHBondContact O-N 2.76Å; Q225-K229 PolarHBondContact O-N 3.28Å
226	S	85.8	Confident	82.5	Confident	18 Å²	18	45 Å²	45	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-70.7	-37.9	177.8	-170.7	0	0	0	0	112.7	S222 A223 L224 A230	S222-S226 PolarHBondContact O-N 3.44Å; A223-S226 PolarHBondContact O-N 3.28Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.46Å; S226-A230 WeakPolarHBondContact O-CB 3.49Å; S226-A230 PolarHBondContact O-N 2.95Å; S226-A230 VanDerWaalsContact O-N 3.07Å
227	L	88.4	Confident	82.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-43.3	179.7	-69.2	172.2	0	0	0	111.7	M151 V153 V167 L187 I193 F201 V203 A223 L224 K229 A230 C231	M151-L227 HydrophobicContact CE-CD1 4.09Å; M151-L227 HydrophobicContact CE-CG 4.4Å; M151-L227 HydrophobicContact SD-CD1 4.15Å; V153-L227 HydrophobicContact CG2-CD2 3.95Å; V153-L227 HydrophobicContact CG2-CG 4.5Å; V167-L227 HydrophobicContact CG2-CD2 3.42Å; V167-L227 VanDerWaalsContact CG2-CD2 3.42Å; L187-L227 HydrophobicContact CD1-CD2 4.14Å; L187-L227 HydrophobicContact CD2-CD2 4.48Å; I193-L227 HydrophobicContact CD1-CB 3.57Å; F201-L227 HydrophobicContact CD2-CD1 4.28Å; F201-L227 HydrophobicContact CE2-CD1 3.34Å; F201-L227 HydrophobicContact CZ-CD1 3.7Å; V203-L227 HydrophobicContact CG2-CD1 4.09Å; A223-L227 WeakPolarHBondContact O-CB 3.13Å; A223-L227 VanDerWaalsContact O-CG 3.25Å; A223-L227 WeakPolarHBondContact O-CG 2.93Å; A223-L227 PolarHBondContact O-N 3.46Å; L224-L227 PolarHBondContact O-N 2.82Å; L227-K229 VanDerWaalsContact C-N 3.33Å; L227-K229 PolarHBondContact O-N 2.83Å; L227-A230 PolarHBondContact O-N 3.42Å; L227-C231 WeakPolarHBondContact O-CB 3.46Å; L227-C231 PolarHBondContact O-N 3.13Å; L227-C231 PolarHBondContact O-SG 3.36Å
228	H	85.2	Confident	83.4	Confident	105 Å²	105	53 Å²	53	49%	0.486	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-42.2	173.2	-78	-68.1	0	0	0	111.6	L224 A230 C231 E232	L224-H228 WeakPolarHBondContact O-CB 3.34Å; L224-H228 PolarHBondContact O-CD2 2.92Å; L224-H228 PolarHBondContact O-N 2.97Å; H228-A230 PolarHBondContact O-N 2.8Å; H228-C231 PolarHBondContact O-N 3.32Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.9Å
229	K	84.4	Confident	84.2	Confident	103 Å²	103	49.7 Å²	49.7	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-46.5	173.9	-171.4	-159.8	171	-129.9	0	111.6	E163 Q225 L227 E232 V233	E163-K229 IonicContact OE1-NZ 3.22Å; E163-K229 PolarHBondContact OE1-NZ 3.1Å; E163-K229 IonicContact OE2-NZ 3.08Å; E163-K229 PolarHBondContact OE2-NZ 3.43Å; Q225-K229 PolarHBondContact O-N 3.28Å; L227-K229 VanDerWaalsContact C-N 3.33Å; L227-K229 PolarHBondContact O-N 2.83Å; K229-E232 PolarHBondContact O-N 3.26Å; K229-V233 WeakPolarHBondContact O-CG2 3.42Å; K229-V233 PolarHBondContact O-N 2.85Å; K229-V233 VanDerWaalsContact O-N 3.09Å
230	A	86.8	Confident	84.7	Confident	8 Å²	8	56.1 Å²	56.1	7%	0.066	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-41.8	-179.8	0	0	0	0	0	112.4	L187 S226 L227 H228 V233 A234	L187-A230 HydrophobicContact CD1-CB 3.56Å; S226-A230 WeakPolarHBondContact O-CB 3.49Å; S226-A230 PolarHBondContact O-N 2.95Å; S226-A230 VanDerWaalsContact O-N 3.07Å; L227-A230 PolarHBondContact O-N 3.42Å; H228-A230 PolarHBondContact O-N 2.8Å; A230-V233 PolarHBondContact O-N 3.16Å; A230-A234 PolarHBondContact O-N 3.31Å
231	C	87.1	Confident	84.7	Confident	7 Å²	7	59.5 Å²	59.5	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-36.6	176.4	-62.3	0	0	0	0	111.8	L227 H228 A234 R235	L227-C231 WeakPolarHBondContact O-CB 3.46Å; L227-C231 PolarHBondContact O-N 3.13Å; L227-C231 PolarHBondContact O-SG 3.36Å; H228-C231 PolarHBondContact O-N 3.32Å; C231-A234 CarbonylContact O-C 3.56Å; C231-A234 WeakPolarHBondContact O-CB 3.37Å; C231-A234 PolarHBondContact O-N 2.93Å; C231-R235 WeakPolarHBondContact O-CB 3.48Å; C231-R235 WeakPolarHBondContact O-CG 3.33Å; C231-R235 PolarHBondContact O-N 2.88Å
232	E	84.3	Confident	84.7	Confident	102 Å²	102	57.7 Å²	57.7	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-36.5	176.3	-171.5	58.4	-163.8	0	0	112	H228 K229 R235 C236	H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.9Å; K229-E232 PolarHBondContact O-N 3.26Å; E232-R235 PolarHBondContact O-N 3.07Å; E232-R235 IonicContact OE2-NE 2.64Å; E232-R235 PolarHBondContact OE2-NE 2.81Å; E232-C236 WeakPolarHBondContact O-CB 3.5Å; E232-C236 PolarHBondContact O-N 3.14Å; E232-C236 PolarHBondContact O-SG 3.08Å
233	V	85.8	Confident	84.8	Confident	29 Å²	29	57.1 Å²	57.1	18%	0.176	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-43.6	169.6	173.6	0	0	0	0	110.8	E163 K229 A230 R235 C236 H237	E163-V233 HydrophobicContact CB-CG1 4.27Å; E163-V233 VanDerWaalsContact O-CG1 3.22Å; E163-V233 WeakPolarHBondContact O-CG1 3.39Å; K229-V233 WeakPolarHBondContact O-CG2 3.42Å; K229-V233 PolarHBondContact O-N 2.85Å; K229-V233 VanDerWaalsContact O-N 3.09Å; A230-V233 PolarHBondContact O-N 3.16Å; V233-R235 VanDerWaalsContact C-N 3.28Å; V233-R235 PolarHBondContact O-N 3.25Å; V233-C236 PolarHBondContact O-N 2.58Å; V233-H237 PolarHBondContact O-N 2.81Å; V233-H237 VanDerWaalsContact O-N 3.15Å; V233-H237 PolarHBondContact O-ND1 3.22Å
234	A	88.1	Confident	84.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-34.5	176.4	0	0	0	0	0	112.7	L187 S189 A230 C231 N238 Y239	L187-A234 WeakPolarHBondContact O-CB 3.49Å; S189-A234 WeakPolarHBondContact CB-O 3.25Å; A230-A234 PolarHBondContact O-N 3.31Å; C231-A234 CarbonylContact O-C 3.56Å; C231-A234 WeakPolarHBondContact O-CB 3.37Å; C231-A234 PolarHBondContact O-N 2.93Å; A234-N238 WeakPolarHBondContact O-CA 3.43Å; A234-N238 PolarHBondContact O-N 3.13Å; A234-Y239 VanDerWaalsContact CA-CD2 3.46Å; A234-Y239 HydrophobicContact CB-CD2 3.48Å; A234-Y239 VanDerWaalsContact CB-CD2 3.48Å; A234-Y239 HydrophobicContact CB-CE2 4.15Å; A234-Y239 HydrophobicContact CB-CG 4.06Å; A234-Y239 PolarHBondContact O-N 2.71Å
235	R	86.4	Confident	85	Confident	139 Å²	139	64.8 Å²	64.8	53%	0.525	34%	0.34	S	S	.	.	H	α-helix	trans	-70.2	-48.8	173.9	-73.2	168.8	62	71.1	2.1	112.4	S189 C231 E232 V233 H237 N238	S189-R235 WeakPolarHBondContact O-CG 3.41Å; S189-R235 PolarHBondContact O-NH1 3.21Å; C231-R235 WeakPolarHBondContact O-CB 3.48Å; C231-R235 WeakPolarHBondContact O-CG 3.33Å; C231-R235 PolarHBondContact O-N 2.88Å; E232-R235 PolarHBondContact O-N 3.07Å; E232-R235 IonicContact OE2-NE 2.64Å; E232-R235 PolarHBondContact OE2-NE 2.81Å; V233-R235 VanDerWaalsContact C-N 3.28Å; V233-R235 PolarHBondContact O-N 3.25Å; R235-H237 PolarHBondContact O-N 3.49Å; R235-N238 PolarHBondContact O-N 3.27Å
236	C	85.5	Confident	85.2	Confident	81 Å²	81	59.7 Å²	59.7	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-54	-38.5	176.8	-69.5	0	0	0	0	112.6	E232 V233	E232-C236 WeakPolarHBondContact O-CB 3.5Å; E232-C236 PolarHBondContact O-N 3.14Å; E232-C236 PolarHBondContact O-SG 3.08Å; V233-C236 PolarHBondContact O-N 2.58Å
237	H	84	Confident	85.2	Confident	78 Å²	78	62.3 Å²	62.3	36%	0.361	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.9	-176.7	-56.8	92.9	0	0	0	114	T162 V233 R235 Y239	T162-H237 VanDerWaalsContact CG2-CD2 3.46Å; T162-H237 WeakPolarHBondContact CG2-CD2 3.26Å; V233-H237 PolarHBondContact O-N 2.81Å; V233-H237 VanDerWaalsContact O-N 3.15Å; V233-H237 PolarHBondContact O-ND1 3.22Å; R235-H237 PolarHBondContact O-N 3.49Å; H237-Y239 HydrophobicContact CB-CD1 3.87Å; H237-Y239 HydrophobicContact CB-CE1 3.38Å
238	N	86.3	Confident	85.2	Confident	103 Å²	103	63.2 Å²	63.2	55%	0.551	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	58.4	-179.3	-59.9	-91.6	0	0	0	113.3	A234 R235 Y240	A234-N238 WeakPolarHBondContact O-CA 3.43Å; A234-N238 PolarHBondContact O-N 3.13Å; R235-N238 PolarHBondContact O-N 3.27Å; N238-Y240 WeakPolarHBondContact O-CD1 3.48Å; N238-Y240 PolarHBondContact O-N 2.95Å
239	Y	88.1	Confident	85.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	31%	0.314	C	S	.	.			trans	-73.6	112.5	174.1	-61.3	-13.7	0	0	0	111	T162 E163 E164 W188 S189 A234 H237 F245 L246	T162-Y239 WeakPolarHBondContact CB-OH 3.5Å; T162-Y239 PolarHBondContact OG1-OH 2.96Å; E163-Y239 PolarHBondContact O-OH 3.04Å; E164-Y239 HydrophobicContact CG-CE2 4.22Å; W188-Y239 WeakPolarHBondContact CA-O 3.49Å; S189-Y239 PolarHBondContact N-O 3.48Å; S189-Y239 PolarHBondContact OG-O 2.87Å; A234-Y239 VanDerWaalsContact CA-CD2 3.46Å; A234-Y239 HydrophobicContact CB-CD2 3.48Å; A234-Y239 VanDerWaalsContact CB-CD2 3.48Å; A234-Y239 HydrophobicContact CB-CE2 4.15Å; A234-Y239 HydrophobicContact CB-CG 4.06Å; A234-Y239 PolarHBondContact O-N 2.71Å; H237-Y239 HydrophobicContact CB-CD1 3.87Å; H237-Y239 HydrophobicContact CB-CE1 3.38Å; Y239-F245 HydrophobicContact CD1-CB 3.68Å; Y239-F245 AromaticContact CD1-CD1 3.87Å; Y239-F245 HydrophobicContact CD1-CD1 3.87Å; Y239-F245 AromaticContact CD1-CD2 3.47Å; Y239-F245 HydrophobicContact CD1-CD2 3.47Å; Y239-F245 VanDerWaalsContact CD1-CD2 3.47Å; Y239-F245 HydrophobicContact CD1-CE1 4.34Å; Y239-F245 AromaticContact CD1-CE2 3.98Å; Y239-F245 HydrophobicContact CD1-CE2 3.98Å; Y239-F245 AromaticContact CD1-CG 3.39Å; Y239-F245 HydrophobicContact CD1-CG 3.39Å; Y239-F245 HydrophobicContact CD1-CZ 4.39Å; Y239-F245 HydrophobicContact CE1-CB 3.98Å; Y239-F245 AromaticContact CE1-CD1 3.45Å; Y239-F245 HydrophobicContact CE1-CD1 3.45Å; Y239-F245 VanDerWaalsContact CE1-CD1 3.45Å; Y239-F245 AromaticContact CE1-CD2 3.92Å; Y239-F245 HydrophobicContact CE1-CD2 3.92Å; Y239-F245 AromaticContact CE1-CE1 3.79Å; Y239-F245 HydrophobicContact CE1-CE1 3.79Å; Y239-F245 HydrophobicContact CE1-CE2 4.22Å; Y239-F245 AromaticContact CE1-CG 3.51Å; Y239-F245 HydrophobicContact CE1-CG 3.51Å; Y239-F245 HydrophobicContact CE1-CZ 4.16Å; Y239-F245 HydrophobicContact CG-CB 4.12Å; Y239-F245 HydrophobicContact CG-CD2 4.46Å; Y239-F245 HydrophobicContact CG-CG 4.31Å; Y239-L246 HydrophobicContact CD2-CD1 4.28Å
240	Y	86.7	Confident	85.4	Confident	136 Å²	136	57.1 Å²	57.1	53%	0.533	32%	0.317	S	S	.	.			trans	-123.2	155.1	175.7	57.2	-93	0	0	0	112.5	W188 N238 G242 S243	W188-Y240 VanDerWaalsContact CE3-C 3.41Å; W188-Y240 VanDerWaalsContact CZ3-C 3.47Å; W188-Y240 WeakPolarHBondContact CZ3-O 3.35Å; N238-Y240 WeakPolarHBondContact O-CD1 3.48Å; N238-Y240 PolarHBondContact O-N 2.95Å; Y240-G242 PolarHBondContact O-N 3.44Å; Y240-S243 WeakPolarHBondContact O-CB 3.42Å; Y240-S243 PolarHBondContact O-N 3.31Å; Y240-S243 PolarHBondContact O-OG 3.32Å
241	P	83.1	Confident	85.6	Confident	74 Å²	74	59.7 Å²	59.7	48%	0.481	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	125.9	174.1	-24.2	33.2	0	0	0	112.2	W188	W188-P241 HydrophobicContact CD2-CG 3.92Å; W188-P241 HydrophobicContact CE3-CG 4.41Å; W188-P241 HydrophobicContact CG-CG 4.24Å; W188-P241 HydrophobicContact CZ2-CB 4.3Å; W188-P241 HydrophobicContact CZ2-CG 4.15Å
242	G	76.7	Confident	85.7	Confident	81 Å²	81	59.4 Å²	59.4	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	2.1	-176.2	0	0	0	0	0	115.1	Y240	Y240-G242 PolarHBondContact O-N 3.44Å
243	S	82.2	Confident	85.9	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.084	32%	0.324	C	S	.	.	S	Bend	trans	-69.8	174.9	165	68.2	0	0	0	0	112.2	Y240 F245	Y240-S243 WeakPolarHBondContact O-CB 3.42Å; Y240-S243 PolarHBondContact O-N 3.31Å; Y240-S243 PolarHBondContact O-OG 3.32Å; S243-F245 PolarHBondContact O-N 3.09Å; S243-F245 PolarHBondContact OG-N 2.66Å
244	L	83.6	Confident	85.9	Confident	131 Å²	131	62.7 Å²	62.7	69%	0.686	35%	0.347	S	S	*	.	S	Bend	trans	-77.3	-3.5	173	-64.6	177.5	0	0	0	113.6	T247	L244-T247 WeakPolarHBondContact O-CG2 3.41Å
245	F	85.9	Confident	85.6	Confident	38 Å²	38	69.1 Å²	69.1	17%	0.167	37%	0.371	C	S	.	.	S	Bend	trans	-90.4	157.3	176.1	-53.5	-74.1	0	0	0	110.4	Q160 T162 E164 Y239 S243 T247	Q160-F245 HydrophobicContact CB-CE1 4.18Å; Q160-F245 HydrophobicContact CG-CE1 3.9Å; Q160-F245 HydrophobicContact CG-CZ 4.42Å; T162-F245 HydrophobicContact CG2-CE1 4.46Å; E164-F245 HydrophobicContact CG-CD1 4.45Å; Y239-F245 HydrophobicContact CD1-CB 3.68Å; Y239-F245 AromaticContact CD1-CD1 3.87Å; Y239-F245 HydrophobicContact CD1-CD1 3.87Å; Y239-F245 AromaticContact CD1-CD2 3.47Å; Y239-F245 HydrophobicContact CD1-CD2 3.47Å; Y239-F245 VanDerWaalsContact CD1-CD2 3.47Å; Y239-F245 HydrophobicContact CD1-CE1 4.34Å; Y239-F245 AromaticContact CD1-CE2 3.98Å; Y239-F245 HydrophobicContact CD1-CE2 3.98Å; Y239-F245 AromaticContact CD1-CG 3.39Å; Y239-F245 HydrophobicContact CD1-CG 3.39Å; Y239-F245 HydrophobicContact CD1-CZ 4.39Å; Y239-F245 HydrophobicContact CE1-CB 3.98Å; Y239-F245 AromaticContact CE1-CD1 3.45Å; Y239-F245 HydrophobicContact CE1-CD1 3.45Å; Y239-F245 VanDerWaalsContact CE1-CD1 3.45Å; Y239-F245 AromaticContact CE1-CD2 3.92Å; Y239-F245 HydrophobicContact CE1-CD2 3.92Å; Y239-F245 AromaticContact CE1-CE1 3.79Å; Y239-F245 HydrophobicContact CE1-CE1 3.79Å; Y239-F245 HydrophobicContact CE1-CE2 4.22Å; Y239-F245 AromaticContact CE1-CG 3.51Å; Y239-F245 HydrophobicContact CE1-CG 3.51Å; Y239-F245 HydrophobicContact CE1-CZ 4.16Å; Y239-F245 HydrophobicContact CG-CB 4.12Å; Y239-F245 HydrophobicContact CG-CD2 4.46Å; Y239-F245 HydrophobicContact CG-CG 4.31Å; S243-F245 PolarHBondContact O-N 3.09Å; S243-F245 PolarHBondContact OG-N 2.66Å; F245-T247 PolarHBondContact O-N 3.2Å
246	L	85.4	Confident	85.6	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	37%	0.365	C	S	.	.	S	Bend	trans	59.5	16.4	175.7	-66.2	172.7	0	0	0	114.6	E164 I166 P186 W188 Y239 W248 V249	E164-L246 HydrophobicContact CB-CD2 4.01Å; E164-L246 WeakPolarHBondContact OE2-CA 3.08Å; E164-L246 PolarHBondContact OE2-N 2.96Å; I166-L246 HydrophobicContact CG2-CD2 3.65Å; P186-L246 HydrophobicContact CB-CD1 4.28Å; W188-L246 HydrophobicContact CD2-CD1 4.4Å; W188-L246 HydrophobicContact CE3-CD1 3.77Å; W188-L246 HydrophobicContact CH2-CB 4Å; W188-L246 HydrophobicContact CH2-CD1 4.13Å; W188-L246 HydrophobicContact CZ3-CB 3.96Å; W188-L246 HydrophobicContact CZ3-CD1 3.63Å; W188-L246 HydrophobicContact CZ3-CG 4.36Å; Y239-L246 HydrophobicContact CD2-CD1 4.28Å; L246-W248 HydrophobicContact CD2-CZ2 4Å; L246-W248 PolarHBondContact O-N 3.07Å; L246-V249 HydrophobicContact CB-CG2 3.9Å; L246-V249 HydrophobicContact CD2-CG2 4.22Å; L246-V249 VanDerWaalsContact O-CB 3.22Å; L246-V249 WeakPolarHBondContact O-CB 3.4Å; L246-V249 WeakPolarHBondContact O-CG2 3.41Å; L246-V249 PolarHBondContact O-N 2.85Å
247	T	85.9	Confident	85.5	Confident	74 Å²	74	65 Å²	65	45%	0.454	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.8	179.3	57.8	0	0	0	0	113.3	L244 F245 V249 S250	L244-T247 WeakPolarHBondContact O-CG2 3.41Å; F245-T247 PolarHBondContact O-N 3.2Å; T247-V249 VanDerWaalsContact C-N 3.33Å; T247-S250 PolarHBondContact O-OG 3.23Å
248	W	88.8	Confident	85.5	Confident	18 Å²	18	61.9 Å²	61.9	7%	0.068	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.6	177.5	58.1	-83.1	0	0	0	114.3	R129 V154 T156 E164 I166 L246 S250 Y251 Y252	R129-W248 VanDerWaalsContact NH2-CE3 3.32Å; V154-W248 HydrophobicContact CG1-CH2 4.44Å; V154-W248 HydrophobicContact CG1-CZ3 4.49Å; T156-W248 HydrophobicContact CG2-CD2 4.03Å; T156-W248 HydrophobicContact CG2-CG 4.34Å; T156-W248 HydrophobicContact CG2-CH2 4.35Å; T156-W248 HydrophobicContact CG2-CZ2 3.57Å; T156-W248 VanDerWaalsContact CG2-NE1 3.34Å; E164-W248 HydrophobicContact CB-CZ2 4.22Å; E164-W248 VanDerWaalsContact OE2-CD1 3.24Å; E164-W248 PolarHBondContact OE2-NE1 3.29Å; I166-W248 HydrophobicContact CB-CH2 4.23Å; I166-W248 HydrophobicContact CD1-CE3 4.28Å; I166-W248 HydrophobicContact CD1-CH2 3.86Å; I166-W248 HydrophobicContact CD1-CZ3 3.46Å; I166-W248 VanDerWaalsContact CD1-CZ3 3.46Å; I166-W248 HydrophobicContact CG1-CH2 3.68Å; I166-W248 HydrophobicContact CG1-CZ3 3.85Å; I166-W248 HydrophobicContact CG2-CH2 3.67Å; I166-W248 HydrophobicContact CG2-CZ2 3.83Å; I166-W248 HydrophobicContact CG2-CZ3 4.18Å; L246-W248 HydrophobicContact CD2-CZ2 4Å; L246-W248 PolarHBondContact O-N 3.07Å; W248-S250 PolarHBondContact O-N 3.3Å; W248-S250 VanDerWaalsContact O-N 3.16Å; W248-Y251 WeakPolarHBondContact O-CB 3.44Å; W248-Y251 PolarHBondContact O-N 3.5Å; W248-Y252 AromaticContact CE3-CD2 3.97Å; W248-Y252 HydrophobicContact CE3-CD2 3.97Å; W248-Y252 AromaticContact CE3-CE2 3.71Å; W248-Y252 HydrophobicContact CE3-CE2 3.71Å; W248-Y252 HydrophobicContact CZ3-CD2 4.06Å; W248-Y252 AromaticContact CZ3-CE2 3.67Å; W248-Y252 HydrophobicContact CZ3-CE2 3.67Å
249	V	87.9	Confident	85.3	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-52.8	-35.3	171.6	168.5	0	0	0	0	111.3	I166 V184 P186 L246 T247 Y251 Y252 Q253	I166-V249 HydrophobicContact CG2-CG2 3.63Å; V184-V249 HydrophobicContact CG1-CG1 4.07Å; P186-V249 HydrophobicContact CB-CG1 4.4Å; P186-V249 HydrophobicContact CB-CG2 3.94Å; P186-V249 HydrophobicContact CG-CG1 4.46Å; L246-V249 HydrophobicContact CB-CG2 3.9Å; L246-V249 HydrophobicContact CD2-CG2 4.22Å; L246-V249 VanDerWaalsContact O-CB 3.22Å; L246-V249 WeakPolarHBondContact O-CB 3.4Å; L246-V249 WeakPolarHBondContact O-CG2 3.41Å; L246-V249 PolarHBondContact O-N 2.85Å; T247-V249 VanDerWaalsContact C-N 3.33Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 2.91Å; V249-Y252 PolarHBondContact O-N 3.14Å; V249-Y252 VanDerWaalsContact O-N 3.14Å; V249-Q253 HydrophobicContact CG1-CG 3.87Å; V249-Q253 WeakPolarHBondContact O-CG 3.28Å; V249-Q253 PolarHBondContact O-N 3.1Å
250	S	85.9	Confident	84.9	Confident	72 Å²	72	64.9 Å²	64.9	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-53.6	-36.8	176	58.5	0	0	0	0	113.9	T247 W248 Q253 S254	T247-S250 PolarHBondContact O-OG 3.23Å; W248-S250 PolarHBondContact O-N 3.3Å; W248-S250 VanDerWaalsContact O-N 3.16Å; S250-Q253 PolarHBondContact O-N 3Å; S250-S254 WeakPolarHBondContact O-CB 3.46Å; S250-S254 PolarHBondContact O-N 3.36Å; S250-S254 PolarHBondContact O-OG 3.11Å
251	Y	89.4	Confident	84.4	Confident	62 Å²	62	62.7 Å²	62.7	24%	0.243	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-50.9	176.1	171.3	-89.7	0	0	0	111	R129 W248 V249 S254 R255	R129-Y251 HydrophobicContact CG-CD1 3.83Å; R129-Y251 HydrophobicContact CG-CD2 4.48Å; R129-Y251 HydrophobicContact CG-CE1 3.38Å; R129-Y251 HydrophobicContact CG-CE2 4.08Å; R129-Y251 HydrophobicContact CG-CG 4.36Å; W248-Y251 WeakPolarHBondContact O-CB 3.44Å; W248-Y251 PolarHBondContact O-N 3.5Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 2.91Å; Y251-S254 PolarHBondContact O-N 3.47Å; Y251-S254 PolarHBondContact O-OG 2.88Å; Y251-R255 VanDerWaalsContact CE2-CZ 3.44Å; Y251-R255 WeakPolarHBondContact O-CG 3.45Å; Y251-R255 PolarHBondContact O-N 2.9Å; Y251-R255 PolarHBondContact OH-NH1 2.68Å
252	Y	90.3	Very high	84.3	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-71.6	-37.5	179.9	-68.2	-75.5	0	0	0	112	L128 R129 D132 I166 L168 W248 V249 S254 R255 V256	L128-Y252 WeakPolarHBondContact CA-OH 3.42Å; L128-Y252 HydrophobicContact CD2-CE1 3.99Å; L128-Y252 WeakPolarHBondContact CD2-OH 3.43Å; R129-Y252 PolarHBondContact N-OH 3.25Å; R129-Y252 VanDerWaalsContact N-OH 3.09Å; D132-Y252 VanDerWaalsContact OD2-CE2 3.28Å; D132-Y252 WeakPolarHBondContact OD2-CE2 3.42Å; D132-Y252 PolarHBondContact OD2-OH 3.26Å; I166-Y252 HydrophobicContact CD1-CD2 3.82Å; I166-Y252 HydrophobicContact CD1-CE2 4.3Å; I166-Y252 HydrophobicContact CD1-CG 4.35Å; L168-Y252 HydrophobicContact CD1-CD1 3.85Å; L168-Y252 HydrophobicContact CD1-CE1 3.86Å; L168-Y252 HydrophobicContact CD1-CG 4.37Å; L168-Y252 HydrophobicContact CD2-CD1 4.11Å; L168-Y252 HydrophobicContact CD2-CG 3.97Å; W248-Y252 AromaticContact CE3-CD2 3.97Å; W248-Y252 HydrophobicContact CE3-CD2 3.97Å; W248-Y252 AromaticContact CE3-CE2 3.71Å; W248-Y252 HydrophobicContact CE3-CE2 3.71Å; W248-Y252 HydrophobicContact CZ3-CD2 4.06Å; W248-Y252 AromaticContact CZ3-CE2 3.67Å; W248-Y252 HydrophobicContact CZ3-CE2 3.67Å; V249-Y252 PolarHBondContact O-N 3.14Å; V249-Y252 VanDerWaalsContact O-N 3.14Å; Y252-S254 VanDerWaalsContact C-N 3.29Å; Y252-S254 PolarHBondContact O-N 2.72Å; Y252-R255 CarbonylContact O-C 3.54Å; Y252-R255 WeakPolarHBondContact O-CA 3.41Å; Y252-R255 PolarHBondContact O-N 3.05Å; Y252-V256 PolarHBondContact O-N 2.77Å
253	Q	87.6	Confident	84.5	Confident	107 Å²	107	56.5 Å²	56.5	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-38.4	174.4	-74.7	179	-24	0	0	112.2	V184 V249 S250 R255	V184-Q253 HydrophobicContact CB-CG 4.07Å; V184-Q253 HydrophobicContact CG1-CG 3.92Å; V249-Q253 HydrophobicContact CG1-CG 3.87Å; V249-Q253 WeakPolarHBondContact O-CG 3.28Å; V249-Q253 PolarHBondContact O-N 3.1Å; S250-Q253 PolarHBondContact O-N 3Å; Q253-R255 PolarHBondContact O-N 3.36Å
254	S	86.1	Confident	84.3	Confident	94 Å²	94	60.4 Å²	60.4	66%	0.657	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.8	174.1	73.4	0	0	0	0	114.7	S250 Y251 Y252	S250-S254 WeakPolarHBondContact O-CB 3.46Å; S250-S254 PolarHBondContact O-N 3.36Å; S250-S254 PolarHBondContact O-OG 3.11Å; Y251-S254 PolarHBondContact O-N 3.47Å; Y251-S254 PolarHBondContact O-OG 2.88Å; Y252-S254 VanDerWaalsContact C-N 3.29Å; Y252-S254 PolarHBondContact O-N 2.72Å
255	R	82.9	Confident	84.2	Confident	135 Å²	135	56 Å²	56	51%	0.509	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	19.6	-174.4	-67	-179.1	177.7	-140.9	0.6	113.4	Y251 Y252 Q253 S257	Y251-R255 VanDerWaalsContact CE2-CZ 3.44Å; Y251-R255 WeakPolarHBondContact O-CG 3.45Å; Y251-R255 PolarHBondContact O-N 2.9Å; Y251-R255 PolarHBondContact OH-NH1 2.68Å; Y252-R255 CarbonylContact O-C 3.54Å; Y252-R255 WeakPolarHBondContact O-CA 3.41Å; Y252-R255 PolarHBondContact O-N 3.05Å; Q253-R255 PolarHBondContact O-N 3.36Å; R255-S257 PolarHBondContact O-N 2.69Å; R255-S257 VanDerWaalsContact O-N 3.14Å; R255-S257 PolarHBondContact O-OG 2.79Å
256	V	86.1	Confident	84	Confident	66 Å²	66	54.7 Å²	54.7	40%	0.4	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-62.6	114	167.2	177.2	0	0	0	0	107.9	V181 V184 Y252 V263	V181-V256 CarbonylContact O-C 3.58Å; V181-V256 VanDerWaalsContact O-CA 3.29Å; V181-V256 WeakPolarHBondContact O-CA 3.46Å; V181-V256 WeakPolarHBondContact O-CG1 3.44Å; V184-V256 HydrophobicContact CG2-CG2 3.88Å; Y252-V256 PolarHBondContact O-N 2.77Å; V256-V263 HydrophobicContact CG1-CG2 4.13Å
257	S	82.7	Confident	83.6	Confident	69 Å²	69	57.4 Å²	57.4	48%	0.483	31%	0.306	S	S	.	.			trans	-133	-4.8	-164.3	57.3	0	0	0	0	113.9	V181 R255	V181-S257 PolarHBondContact N-OG 2.98Å; V181-S257 PolarHBondContact O-N 3.32Å; R255-S257 PolarHBondContact O-N 2.69Å; R255-S257 VanDerWaalsContact O-N 3.14Å; R255-S257 PolarHBondContact O-OG 2.79Å
258	S	84.9	Confident	82.6	Confident	12 Å²	12	56.4 Å²	56.4	8%	0.084	31%	0.305	C	S	.	.	S	Bend	trans	-61.8	154.3	173	-63.7	0	0	0	0	111.4	D171 T180 V181 G182	D171-S258 WeakPolarHBondContact OD2-CB 3.27Å; D171-S258 PolarHBondContact OD2-OG 3.21Å; T180-S258 PolarHBondContact OG1-OG 3.27Å; V181-S258 PolarHBondContact O-N 3.17Å; V181-S258 VanDerWaalsContact O-N 3.13Å; V181-S258 PolarHBondContact O-OG 3.21Å; G182-S258 WeakPolarHBondContact CA-OG 3.31Å; G182-S258 PolarHBondContact N-OG 3.38Å; G182-S258 VanDerWaalsContact N-OG 3.08Å
259	S	81.1	Confident	81	Confident	37 Å²	37	61.8 Å²	61.8	26%	0.259	33%	0.332	S	S	.	.			trans	-56.1	151.8	174.6	65.8	0	0	0	0	111.9	F261 C262 V263	S259-F261 VanDerWaalsContact CB-CE1 3.46Å; S259-F261 PolarHBondContact O-N 2.94Å; S259-F261 VanDerWaalsContact O-N 3.1Å; S259-F261 WeakPolarHBondContact OG-CD1 3.22Å; S259-F261 WeakPolarHBondContact OG-CE1 3.17Å; S259-F261 VanDerWaalsContact OG-CZ 3.24Å; S259-F261 WeakPolarHBondContact OG-CZ 3.44Å; S259-C262 PolarHBondContact O-N 3.21Å; S259-C262 PolarHBondContact OG-N 2.88Å; S259-C262 PolarHBondContact OG-SG 3.12Å; S259-C262 VanDerWaalsContact OG-SG 3.37Å; S259-V263 WeakPolarHBondContact O-CG2 3.16Å; S259-V263 PolarHBondContact O-N 2.64Å
260	Q	79.1	Confident	79.3	Confident	130 Å²	130	67.3 Å²	67.3	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-57.6	-30.5	-179.1	-169.6	62.6	57.3	0	0	112.7	N264	Q260-N264 PolarHBondContact NE2-OD1 3.1Å; Q260-N264 VanDerWaalsContact O-CB 3.27Å; Q260-N264 WeakPolarHBondContact O-CB 3.38Å; Q260-N264 PolarHBondContact O-N 3.41Å; Q260-N264 PolarHBondContact O-ND2 3.23Å; Q260-N264 PolarHBondContact O-OD1 2.98Å; Q260-N264 VanDerWaalsContact O-OD1 3.14Å
261	F	77.3	Confident	77.2	Confident	90 Å²	90	71.3 Å²	71.3	40%	0.395	37%	0.374	S	S	.	.	H	α-helix	trans	-71.3	-40.4	175.8	68.8	-97.5	0	0	0	112.4	Y144 V147 S259 N264 E265	Y144-F261 HydrophobicContact CD2-CD2 4.1Å; Y144-F261 HydrophobicContact CD2-CE2 4.43Å; Y144-F261 HydrophobicContact CE2-CD2 4.02Å; V147-F261 HydrophobicContact CG2-CE2 4.03Å; S259-F261 VanDerWaalsContact CB-CE1 3.46Å; S259-F261 PolarHBondContact O-N 2.94Å; S259-F261 VanDerWaalsContact O-N 3.1Å; S259-F261 WeakPolarHBondContact OG-CD1 3.22Å; S259-F261 WeakPolarHBondContact OG-CE1 3.17Å; S259-F261 VanDerWaalsContact OG-CZ 3.24Å; S259-F261 WeakPolarHBondContact OG-CZ 3.44Å; F261-N264 PolarHBondContact O-N 2.73Å; F261-E265 WeakPolarHBondContact O-CB 3.14Å; F261-E265 PolarHBondContact O-N 3.38Å
262	C	80.6	Confident	75	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	39%	0.387	C	S	.	.	H	α-helix	trans	-64	-44.6	171.9	-72.7	0	0	0	0	111.3	R149 S259 N264 E265 W266	R149-C262 PolarHBondContact NH2-O 3.42Å; R149-C262 VanDerWaalsContact NH2-O 3.16Å; S259-C262 PolarHBondContact O-N 3.21Å; S259-C262 PolarHBondContact OG-N 2.88Å; S259-C262 PolarHBondContact OG-SG 3.12Å; S259-C262 VanDerWaalsContact OG-SG 3.37Å; C262-N264 VanDerWaalsContact C-N 3.33Å; C262-N264 PolarHBondContact O-N 3.03Å; C262-E265 PolarHBondContact O-N 2.83Å; C262-W266 PolarHBondContact O-N 2.84Å
263	V	80.3	Confident	72.5	Confident	25 Å²	25	79.3 Å²	79.3	15%	0.152	42%	0.419	C	S	.	.	H	α-helix	trans	-61.7	-41.1	176.2	176.2	0	0	0	0	111	V256 S259 W266 N267	V256-V263 HydrophobicContact CG1-CG2 4.13Å; S259-V263 WeakPolarHBondContact O-CG2 3.16Å; S259-V263 PolarHBondContact O-N 2.64Å; V263-W266 PolarHBondContact O-N 2.66Å; V263-N267 PolarHBondContact O-N 3.4Å; V263-N267 PolarHBondContact O-ND2 2.83Å
264	N	79.3	Confident	70	Confident	93 Å²	93	79 Å²	79	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-61.7	-44.2	173.9	-71.9	-3	0	0	0	111.4	Q260 F261 C262 W266 N267 A268	Q260-N264 PolarHBondContact NE2-OD1 3.1Å; Q260-N264 VanDerWaalsContact O-CB 3.27Å; Q260-N264 WeakPolarHBondContact O-CB 3.38Å; Q260-N264 PolarHBondContact O-N 3.41Å; Q260-N264 PolarHBondContact O-ND2 3.23Å; Q260-N264 PolarHBondContact O-OD1 2.98Å; Q260-N264 VanDerWaalsContact O-OD1 3.14Å; F261-N264 PolarHBondContact O-N 2.73Å; C262-N264 VanDerWaalsContact C-N 3.33Å; C262-N264 PolarHBondContact O-N 3.03Å; N264-W266 VanDerWaalsContact C-N 3.34Å; N264-W266 PolarHBondContact O-N 3.31Å; N264-N267 CarbonylContact O-C 3.56Å; N264-N267 PolarHBondContact O-N 2.91Å; N264-A268 WeakPolarHBondContact O-CA 3.45Å; N264-A268 WeakPolarHBondContact O-CB 3.24Å; N264-A268 PolarHBondContact O-N 3.15Å
265	E	80.8	Confident	67.6	Low	38 Å²	38	81.7 Å²	81.7	18%	0.178	43%	0.43	C	S	.	.	H	α-helix	trans	-64.6	-33.5	176.6	-168.1	-166.2	-178.9	0	0	112.4	S142 A143 R149 F261 C262 A268	S142-E265 WeakPolarHBondContact CA-OE1 3.48Å; S142-E265 WeakPolarHBondContact CB-OE1 3.21Å; S142-E265 PolarHBondContact OG-OE1 2.88Å; S142-E265 PolarHBondContact OG-OE2 3.31Å; A143-E265 PolarHBondContact N-OE1 3.4Å; R149-E265 IonicContact CZ-OE2 3.97Å; R149-E265 VanDerWaalsContact CZ-OE2 3.22Å; R149-E265 IonicContact NH1-OE1 3.43Å; R149-E265 IonicContact NH1-OE2 3.23Å; R149-E265 PolarHBondContact NH1-OE2 3.48Å; R149-E265 IonicContact NH2-OE2 2.83Å; R149-E265 PolarHBondContact NH2-OE2 2.9Å; F261-E265 WeakPolarHBondContact O-CB 3.14Å; F261-E265 PolarHBondContact O-N 3.38Å; C262-E265 PolarHBondContact O-N 2.83Å; E265-A268 WeakPolarHBondContact O-CB 3.29Å
266	W	81.4	Confident	65.3	Low	12 Å²	12	86.2 Å²	86.2	5%	0.045	45%	0.447	C	S	.	.	H	α-helix	trans	-71	-28.6	172.5	-81.4	118.9	0	0	0	114	L140 R149 Y150 G169 D171 L183 F212 C262 V263 N264	L140-W266 HydrophobicContact CD1-CH2 3.61Å; L140-W266 HydrophobicContact CD1-CZ3 3.59Å; R149-W266 VanDerWaalsContact CD-CH2 3.47Å; R149-W266 HydrophobicContact CG-CH2 3.46Å; R149-W266 VanDerWaalsContact CG-CH2 3.46Å; R149-W266 HydrophobicContact CG-CZ2 3.27Å; R149-W266 HydrophobicContact CG-CZ3 4.33Å; Y150-W266 WeakPolarHBondContact O-CH2 3.33Å; G169-W266 VanDerWaalsContact C-CZ2 3.43Å; D171-W266 VanDerWaalsContact CG-NE1 3.29Å; D171-W266 PolarHBondContact OD1-NE1 3.39Å; D171-W266 VanDerWaalsContact OD1-NE1 3.09Å; D171-W266 PolarHBondContact OD2-NE1 3.09Å; L183-W266 HydrophobicContact CB-CB 4.15Å; L183-W266 HydrophobicContact CB-CD2 3.82Å; L183-W266 HydrophobicContact CB-CE3 4Å; L183-W266 HydrophobicContact CB-CG 3.93Å; L183-W266 HydrophobicContact CD2-CD2 4.37Å; L183-W266 HydrophobicContact CD2-CE3 3.71Å; L183-W266 HydrophobicContact CD2-CZ3 4.17Å; F212-W266 HydrophobicContact CD1-CZ3 4.04Å; F212-W266 AromaticContact CE1-CZ3 3.79Å; F212-W266 HydrophobicContact CE1-CZ3 3.79Å; C262-W266 PolarHBondContact O-N 2.84Å; V263-W266 PolarHBondContact O-N 2.66Å; N264-W266 VanDerWaalsContact C-N 3.34Å; N264-W266 PolarHBondContact O-N 3.31Å
267	N	76.4	Confident	63	Low	62 Å²	62	87.2 Å²	87.2	33%	0.332	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.8	177.8	-68.5	-97.6	0	0	0	111.8	R208 V263 N264 M269	R208-N267 PolarHBondContact NH1-OD1 2.86Å; V263-N267 PolarHBondContact O-N 3.4Å; V263-N267 PolarHBondContact O-ND2 2.83Å; N264-N267 CarbonylContact O-C 3.56Å; N264-N267 PolarHBondContact O-N 2.91Å; N267-M269 PolarHBondContact O-N 2.72Å; N267-M269 VanDerWaalsContact O-N 3.15Å
268	A	66.8	Low	60.7	Low	52 Å²	52	91.6 Å²	91.6	43%	0.43	48%	0.48	S	S	.	.			trans	-76.3	102.6	-178.1	0	0	0	0	0	110.3	N264 E265 Q270	N264-A268 WeakPolarHBondContact O-CA 3.45Å; N264-A268 WeakPolarHBondContact O-CB 3.24Å; N264-A268 PolarHBondContact O-N 3.15Å; E265-A268 WeakPolarHBondContact O-CB 3.29Å; A268-Q270 PolarHBondContact O-N 2.86Å; A268-Q270 VanDerWaalsContact O-N 3.11Å
269	M	55.2	Low	58.1	Low	131 Å²	131	96.1 Å²	96.1	65%	0.645	51%	0.512	S	S	*	.			trans	-71.7	97.7	161.2	-64.5	176.7	63.6	0	0	107.8	N267	N267-M269 PolarHBondContact O-N 2.72Å; N267-M269 VanDerWaalsContact O-N 3.15Å
270	Q	51.4	Low	56.2	Low	125 Å²	125	100.2 Å²	100.2	58%	0.584	54%	0.538	S	S	*	.			trans	-67.5	137.8	160.6	-80.9	-178.1	-25.3	0	0	108.3	A268 V272	A268-Q270 PolarHBondContact O-N 2.86Å; A268-Q270 VanDerWaalsContact O-N 3.11Å; Q270-V272 PolarHBondContact O-N 3.13Å; Q270-V272 VanDerWaalsContact O-N 3.12Å
271	D	41.4	Very low	54.4	Low	156 Å²	156	102.1 Å²	102.1	83%	0.834	55%	0.55	S	S	*	*			trans	-58.6	115.9	-161.3	-65.1	-77.6	0	0	0	113.3	E273	D271-E273 VanDerWaalsContact C-N 3.32Å; D271-E273 PolarHBondContact O-N 2.71Å
272	V	44	Very low	52.7	Low	87 Å²	87	104.7 Å²	104.7	53%	0.527	57%	0.567	S	S	.	*			trans	-76.3	86.5	175.7	-177	0	0	0	0	108.2	Q270 S274	Q270-V272 PolarHBondContact O-N 3.13Å; Q270-V272 VanDerWaalsContact O-N 3.12Å; V272-S274 PolarHBondContact O-N 2.9Å
273	E	36.6	Very low	50.9	Low	144 Å²	144	113.1 Å²	113.1	67%	0.673	60%	0.604	S	S	*	*			trans	-66	74.7	165.2	-72.4	-164	132.1	0	0	109.8	D271 H275	D271-E273 VanDerWaalsContact C-N 3.32Å; D271-E273 PolarHBondContact O-N 2.71Å; E273-H275 VanDerWaalsContact C-N 3.3Å; E273-H275 PolarHBondContact O-CD2 2.89Å; E273-H275 PolarHBondContact O-N 2.8Å
274	S	35.8	Very low	48.9	Very low	99 Å²	99	117.6 Å²	117.6	69%	0.692	63%	0.632	S	S	*	*			trans	-68.5	86.8	175.3	-174	0	0	0	0	109.6	V272 R276	V272-S274 PolarHBondContact O-N 2.9Å; S274-R276 PolarHBondContact O-N 2.99Å
275	H	35.5	Very low	47.3	Very low	152 Å²	152	121.1 Å²	121.1	70%	0.704	65%	0.651	S	S	*	*			trans	-66.8	85.1	169.5	-77.1	-79.8	0	0	0	110	E273 A277	E273-H275 VanDerWaalsContact C-N 3.3Å; E273-H275 PolarHBondContact O-CD2 2.89Å; E273-H275 PolarHBondContact O-N 2.8Å; H275-A277 PolarHBondContact O-N 3.04Å
276	R	34.5	Very low	45.6	Very low	230 Å²	230	124.9 Å²	124.9	87%	0.868	67%	0.671	S	S	*	*			trans	-53.4	115.2	170.3	-176.5	-175.8	-172.8	118.7	2.8	109.1	S274 N278	S274-R276 PolarHBondContact O-N 2.99Å; R276-N278 PolarHBondContact O-N 2.76Å
277	A	38.2	Very low	44.1	Very low	86 Å²	86	127 Å²	127	71%	0.711	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-53	132.5	178.1	0	0	0	0	0	111.2	H275	H275-A277 PolarHBondContact O-N 3.04Å
278	N	33.2	Very low	43.7	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-61	146.9	174.3	-77.3	-50.4	0	0	0	110.4	R276	R276-N278 PolarHBondContact O-N 2.76Å
279	S	32.1	Very low	43.9	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-57.7	139.3	-177.2	-62.8	0	0	0	0	111.3	I281	S279-I281 PolarHBondContact O-N 2.74Å
280	P	41	Very low	44.9	Very low	124 Å²	124	130.9 Å²	130.9	81%	0.805	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.2	-171.9	24.8	-34.4	0	0	0	111.8
281	I	39.9	Very low	46	Very low	170 Å²	170	127.7 Å²	127.7	87%	0.872	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-76.6	130	171.8	-58.4	177.9	0	0	0	108.1	S279	S279-I281 PolarHBondContact O-N 2.74Å
282	L	41.8	Very low	47.7	Very low	143 Å²	143	125.9 Å²	125.9	75%	0.749	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.5	-174.2	-79.9	164.6	0	0	0	112.7
283	F	43.8	Very low	49.5	Very low	178 Å²	178	124.1 Å²	124.1	78%	0.781	65%	0.646	S	S	*	*			trans	53.5	107.8	161.3	-67.3	-74	0	0	0	118.9
284	T	37.3	Very low	51.7	Low	120 Å²	120	118.8 Å²	118.8	74%	0.736	62%	0.621	S	S	*	*			trans	-151	130.7	139.9	-57.3	0	0	0	0	108.5	L286	T284-L286 HydrophobicContact CG2-CB 3.88Å; T284-L286 PolarHBondContact O-N 2.72Å
285	D	46.8	Very low	53.8	Low	166 Å²	166	120.3 Å²	120.3	89%	0.888	61%	0.611	S	S	*	*	S	Bend	trans	-78.5	44	178.8	-61.7	-56.5	0	0	0	112.6
286	L	43.5	Very low	56.1	Low	117 Å²	117	116.9 Å²	116.9	61%	0.613	60%	0.598	S	S	*	*	S	Bend	trans	-132.7	126.4	-179.9	-148.5	78.9	0	0	0	108.2	T284 T288	T284-L286 HydrophobicContact CG2-CB 3.88Å; T284-L286 PolarHBondContact O-N 2.72Å; L286-T288 PolarHBondContact O-N 3.31Å
287	P	51.8	Low	58.6	Low	57 Å²	57	106 Å²	106	37%	0.37	56%	0.557	S	S	.	*			trans	-54.6	118.7	-175.2	-29.5	35.8	0	0	0	112.1	E291 R292	P287-E291 WeakPolarHBondContact CA-OE2 3.46Å; P287-E291 WeakPolarHBondContact CB-OE2 3.31Å; P287-R292 PolarHBondContact O-NE 2.75Å; P287-R292 PolarHBondContact O-NH2 3.07Å; P287-R292 VanDerWaalsContact O-NH2 3.1Å
288	T	68.1	Low	60.7	Low	80 Å²	80	105 Å²	105	49%	0.491	54%	0.537	S	S	.	.			trans	-56.6	147	179.1	-43.9	0	0	0	0	109.4	L286 R290 E291 R292	L286-T288 PolarHBondContact O-N 3.31Å; T288-R290 HydrophobicContact CG2-CB 4Å; T288-R290 PolarHBondContact O-N 2.97Å; T288-E291 VanDerWaalsContact CB-OE1 3.29Å; T288-E291 WeakPolarHBondContact CB-OE1 3.49Å; T288-E291 VanDerWaalsContact N-CD 3.34Å; T288-E291 PolarHBondContact N-OE1 3.41Å; T288-E291 WeakPolarHBondContact O-CA 3.46Å; T288-E291 WeakPolarHBondContact O-CB 3.42Å; T288-E291 PolarHBondContact O-N 3.18Å; T288-E291 PolarHBondContact OG1-OE1 3.15Å; T288-R292 PolarHBondContact O-N 3.42Å; T288-R292 VanDerWaalsContact O-N 3.13Å
289	E	70	Confident	63	Low	110 Å²	110	102.1 Å²	102.1	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-55.9	-38.1	177	-165	59.4	-153.9	0	0	111.5	E291 R292 I293	E289-E291 VanDerWaalsContact C-N 3.35Å; E289-E291 PolarHBondContact O-N 3.24Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 2.97Å; E289-R292 WeakPolarHBondContact OE2-CD 3.36Å; E289-R292 IonicContact OE2-CZ 3.51Å; E289-R292 IonicContact OE2-NE 3.15Å; E289-R292 IonicContact OE2-NH1 2.68Å; E289-R292 PolarHBondContact OE2-NH1 3.27Å; E289-I293 HydrophobicContact CG-CD1 4.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.35Å; E289-I293 PolarHBondContact O-N 2.95Å
290	R	75.8	Confident	65.6	Low	137 Å²	137	101 Å²	101	52%	0.517	50%	0.498	S	S	.	.	H	α-helix	trans	-49	-50.2	168.4	-174.4	-175.2	165.1	121.8	14.2	112.8	T288 R292 I293 E294 F333	T288-R290 HydrophobicContact CG2-CB 4Å; T288-R290 PolarHBondContact O-N 2.97Å; R290-R292 VanDerWaalsContact C-N 3.3Å; R290-R292 PolarHBondContact O-N 3.37Å; R290-I293 PolarHBondContact O-N 3.37Å; R290-E294 IonicContact CZ-OE1 3.31Å; R290-E294 VanDerWaalsContact CZ-OE1 3.25Å; R290-E294 IonicContact NE-OE1 2.91Å; R290-E294 PolarHBondContact NE-OE1 3.49Å; R290-E294 IonicContact NE-OE2 2.75Å; R290-E294 IonicContact NH2-OE1 2.64Å; R290-E294 PolarHBondContact NH2-OE1 2.91Å; R290-E294 WeakPolarHBondContact O-CB 3.11Å; R290-E294 WeakPolarHBondContact O-CG 3.22Å; R290-E294 PolarHBondContact O-N 2.97Å; R290-F333 HydrophobicContact CG-CE1 3.82Å; R290-F333 HydrophobicContact CG-CZ 4.25Å
291	E	75.9	Confident	67.8	Low	58 Å²	58	95.1 Å²	95.1	27%	0.271	46%	0.46	S	S	.	.	H	α-helix	trans	-70.1	-26.1	-179.9	-56	162.2	-131.5	0	0	112.8	P287 T288 E289 R295	P287-E291 WeakPolarHBondContact CA-OE2 3.46Å; P287-E291 WeakPolarHBondContact CB-OE2 3.31Å; T288-E291 VanDerWaalsContact CB-OE1 3.29Å; T288-E291 WeakPolarHBondContact CB-OE1 3.49Å; T288-E291 VanDerWaalsContact N-CD 3.34Å; T288-E291 PolarHBondContact N-OE1 3.41Å; T288-E291 WeakPolarHBondContact O-CA 3.46Å; T288-E291 WeakPolarHBondContact O-CB 3.42Å; T288-E291 PolarHBondContact O-N 3.18Å; T288-E291 PolarHBondContact OG1-OE1 3.15Å; E289-E291 VanDerWaalsContact C-N 3.35Å; E289-E291 PolarHBondContact O-N 3.24Å; E291-R295 WeakPolarHBondContact O-CB 3.37Å; E291-R295 VanDerWaalsContact O-CG 3.24Å; E291-R295 WeakPolarHBondContact O-CG 3.35Å; E291-R295 PolarHBondContact O-N 3.18Å; E291-R295 PolarHBondContact O-NH1 3.24Å; E291-R295 IonicContact OE2-CZ 2.81Å; E291-R295 IonicContact OE2-NH1 3.75Å; E291-R295 PolarHBondContact OE2-NH1 3.36Å; E291-R295 IonicContact OE2-NH2 3.46Å; E291-R295 PolarHBondContact OE2-NH2 3.08Å
292	R	76.1	Confident	69.7	Low	118 Å²	118	89 Å²	89	45%	0.445	43%	0.426	S	S	.	.	H	α-helix	trans	-69.9	-43.8	174.6	-61.6	179.3	-165.9	156.8	0.1	109.6	P287 T288 E289 R290 R295 L296	P287-R292 PolarHBondContact O-NE 2.75Å; P287-R292 PolarHBondContact O-NH2 3.07Å; P287-R292 VanDerWaalsContact O-NH2 3.1Å; T288-R292 PolarHBondContact O-N 3.42Å; T288-R292 VanDerWaalsContact O-N 3.13Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 2.97Å; E289-R292 WeakPolarHBondContact OE2-CD 3.36Å; E289-R292 IonicContact OE2-CZ 3.51Å; E289-R292 IonicContact OE2-NE 3.15Å; E289-R292 IonicContact OE2-NH1 2.68Å; E289-R292 PolarHBondContact OE2-NH1 3.27Å; R290-R292 VanDerWaalsContact C-N 3.3Å; R290-R292 PolarHBondContact O-N 3.37Å; R292-R295 PolarHBondContact O-N 2.83Å; R292-L296 WeakPolarHBondContact O-CB 3.44Å; R292-L296 PolarHBondContact O-N 3.01Å
293	I	81.3	Confident	71.6	Confident	49 Å²	49	85.5 Å²	85.5	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-45.8	173.1	-63.7	163.9	0	0	0	110.1	E289 R290 R295 L296 I297 F333	E289-I293 HydrophobicContact CG-CD1 4.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.35Å; E289-I293 PolarHBondContact O-N 2.95Å; R290-I293 PolarHBondContact O-N 3.37Å; I293-R295 PolarHBondContact O-N 2.8Å; I293-L296 CarbonylContact O-C 2.94Å; I293-L296 PolarHBondContact O-N 2.87Å; I293-L296 VanDerWaalsContact O-N 3.13Å; I293-I297 HydrophobicContact CG2-CD1 3.79Å; I293-I297 HydrophobicContact CG2-CG1 4.23Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 VanDerWaalsContact O-CG1 3.27Å; I293-I297 WeakPolarHBondContact O-CG1 3.44Å; I293-I297 PolarHBondContact O-N 3.07Å; I293-F333 HydrophobicContact CB-CE1 4.37Å; I293-F333 HydrophobicContact CB-CZ 3.98Å; I293-F333 HydrophobicContact CD1-CZ 4.28Å; I293-F333 HydrophobicContact CG2-CD1 4.48Å; I293-F333 HydrophobicContact CG2-CD2 4.16Å; I293-F333 HydrophobicContact CG2-CE1 3.98Å; I293-F333 HydrophobicContact CG2-CE2 3.63Å; I293-F333 HydrophobicContact CG2-CZ 3.53Å
294	E	84.3	Confident	73.6	Confident	33 Å²	33	77 Å²	77	15%	0.154	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-40.9	176.2	-75.2	165.4	166.2	0	0	112.8	R290 K298 F333 F336	R290-E294 IonicContact CZ-OE1 3.31Å; R290-E294 VanDerWaalsContact CZ-OE1 3.25Å; R290-E294 IonicContact NE-OE1 2.91Å; R290-E294 PolarHBondContact NE-OE1 3.49Å; R290-E294 IonicContact NE-OE2 2.75Å; R290-E294 IonicContact NH2-OE1 2.64Å; R290-E294 PolarHBondContact NH2-OE1 2.91Å; R290-E294 WeakPolarHBondContact O-CB 3.11Å; R290-E294 WeakPolarHBondContact O-CG 3.22Å; R290-E294 PolarHBondContact O-N 2.97Å; E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 PolarHBondContact O-N 3.15Å; E294-F333 HydrophobicContact CG-CD1 3.83Å; E294-F333 HydrophobicContact CG-CE1 3.75Å; E294-F336 HydrophobicContact CB-CD1 4.35Å; E294-F336 HydrophobicContact CB-CE1 3.69Å; E294-F336 HydrophobicContact CB-CE2 4.12Å; E294-F336 HydrophobicContact CB-CZ 3.57Å; E294-F336 HydrophobicContact CG-CD1 3.96Å; E294-F336 HydrophobicContact CG-CD2 4.23Å; E294-F336 HydrophobicContact CG-CE1 3.82Å; E294-F336 HydrophobicContact CG-CE2 4.11Å; E294-F336 HydrophobicContact CG-CG 4.17Å; E294-F336 HydrophobicContact CG-CZ 3.91Å; E294-F336 WeakPolarHBondContact O-CE1 3.07Å
295	R	78.2	Confident	75.7	Confident	130 Å²	130	71.4 Å²	71.4	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-41.6	172.5	-72.1	174.6	-162.8	96.3	-0.8	112.1	E291 R292 I293 K298 M299	E291-R295 WeakPolarHBondContact O-CB 3.37Å; E291-R295 VanDerWaalsContact O-CG 3.24Å; E291-R295 WeakPolarHBondContact O-CG 3.35Å; E291-R295 PolarHBondContact O-N 3.18Å; E291-R295 PolarHBondContact O-NH1 3.24Å; E291-R295 IonicContact OE2-CZ 2.81Å; E291-R295 IonicContact OE2-NH1 3.75Å; E291-R295 PolarHBondContact OE2-NH1 3.36Å; E291-R295 IonicContact OE2-NH2 3.46Å; E291-R295 PolarHBondContact OE2-NH2 3.08Å; R292-R295 PolarHBondContact O-N 2.83Å; I293-R295 PolarHBondContact O-N 2.8Å; R295-K298 PolarHBondContact O-N 2.68Å; R295-M299 WeakPolarHBondContact O-CB 3.42Å; R295-M299 PolarHBondContact O-N 3.43Å
296	L	84.1	Confident	77.1	Confident	81 Å²	81	69.7 Å²	69.7	42%	0.424	32%	0.322	S	S	.	.	H	α-helix	trans	-68.5	-39.8	179.1	-173.4	62.3	0	0	0	111.9	R292 I293 M299 R300 M326	R292-L296 WeakPolarHBondContact O-CB 3.44Å; R292-L296 PolarHBondContact O-N 3.01Å; I293-L296 CarbonylContact O-C 2.94Å; I293-L296 PolarHBondContact O-N 2.87Å; I293-L296 VanDerWaalsContact O-N 3.13Å; L296-M299 HydrophobicContact CD1-CE 3.84Å; L296-M299 PolarHBondContact O-N 2.95Å; L296-R300 PolarHBondContact O-N 3.32Å; L296-M326 HydrophobicContact CB-CE 4.06Å; L296-M326 HydrophobicContact CD2-CE 3.77Å; L296-M326 HydrophobicContact CG-CE 3.73Å
297	I	87.7	Confident	78.6	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-55.9	-57.3	168.9	-75	169.1	0	0	0	109.5	I293 M299 R300 L301 L322 M326 L330 F333 F336 I337	I293-I297 HydrophobicContact CG2-CD1 3.79Å; I293-I297 HydrophobicContact CG2-CG1 4.23Å; I293-I297 WeakPolarHBondContact O-CB 3.48Å; I293-I297 VanDerWaalsContact O-CG1 3.27Å; I293-I297 WeakPolarHBondContact O-CG1 3.44Å; I293-I297 PolarHBondContact O-N 3.07Å; I297-M299 PolarHBondContact O-N 2.68Å; I297-M299 VanDerWaalsContact O-N 3.17Å; I297-R300 PolarHBondContact O-N 2.9Å; I297-L301 WeakPolarHBondContact O-CB 3.32Å; I297-L301 PolarHBondContact O-N 2.88Å; I297-L322 HydrophobicContact CG2-CD2 4.05Å; I297-M326 HydrophobicContact CB-SD 4.34Å; I297-M326 HydrophobicContact CG1-CE 3.77Å; I297-M326 HydrophobicContact CG1-SD 3.67Å; I297-L330 HydrophobicContact CD1-CD2 3.96Å; I297-L330 HydrophobicContact CG1-CD1 4.48Å; I297-L330 HydrophobicContact CG1-CD2 4.15Å; I297-F333 HydrophobicContact CD1-CB 3.52Å; I297-F333 HydrophobicContact CD1-CD1 3.72Å; I297-F333 HydrophobicContact CD1-CD2 4.02Å; I297-F333 HydrophobicContact CD1-CE1 4.45Å; I297-F333 HydrophobicContact CD1-CG 3.47Å; I297-F333 VanDerWaalsContact CD1-CG 3.47Å; I297-F336 HydrophobicContact CB-CD1 4.48Å; I297-F336 HydrophobicContact CB-CE1 4.07Å; I297-F336 HydrophobicContact CD1-CD1 4.33Å; I297-F336 HydrophobicContact CG2-CD1 3.85Å; I297-F336 HydrophobicContact CG2-CE1 3.65Å; I297-I337 HydrophobicContact CD1-CG1 4.49Å; I297-I337 HydrophobicContact CG2-CG1 3.66Å
298	K	82.9	Confident	79.7	Confident	67 Å²	67	70.4 Å²	70.4	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-57.5	-34.1	-177.3	-173.7	-177.6	-178.4	80.2	0	112.4	E294 R295 R302 E340	E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 PolarHBondContact O-N 3.15Å; R295-K298 PolarHBondContact O-N 2.68Å; K298-R302 WeakPolarHBondContact O-CB 3.41Å; K298-R302 PolarHBondContact O-N 3.24Å; K298-E340 WeakPolarHBondContact CD-OE1 3.43Å; K298-E340 IonicContact NZ-OE1 3.78Å; K298-E340 PolarHBondContact NZ-OE1 3.39Å; K298-E340 IonicContact NZ-OE2 3.34Å; K298-E340 PolarHBondContact NZ-OE2 2.9Å
299	M	81.3	Confident	79.9	Confident	99 Å²	99	71 Å²	71	49%	0.488	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-55.9	174.9	-170.1	-170.3	83.3	0	0	112.2	R295 L296 I297 R302 E303	R295-M299 WeakPolarHBondContact O-CB 3.42Å; R295-M299 PolarHBondContact O-N 3.43Å; L296-M299 HydrophobicContact CD1-CE 3.84Å; L296-M299 PolarHBondContact O-N 2.95Å; I297-M299 PolarHBondContact O-N 2.68Å; I297-M299 VanDerWaalsContact O-N 3.17Å; M299-R302 PolarHBondContact O-N 2.76Å; M299-E303 PolarHBondContact O-N 2.99Å; M299-E303 VanDerWaalsContact O-N 3.1Å
300	R	85.3	Confident	80.2	Confident	84 Å²	84	67.3 Å²	67.3	32%	0.317	30%	0.301	S	S	.	.	H	α-helix	trans	-68.9	-34.2	-178	-68.9	-56.9	-163.2	-177.2	6.5	113	L296 I297 R302 E303 I304 L322 M326	L296-R300 PolarHBondContact O-N 3.32Å; I297-R300 PolarHBondContact O-N 2.9Å; R300-R302 VanDerWaalsContact C-N 3.34Å; R300-R302 PolarHBondContact O-N 3.1Å; R300-E303 WeakPolarHBondContact CD-OE2 3.25Å; R300-E303 IonicContact CZ-OE2 3.47Å; R300-E303 IonicContact NE-OE2 2.76Å; R300-E303 IonicContact NH1-OE1 2.77Å; R300-E303 PolarHBondContact NH1-OE1 3Å; R300-E303 IonicContact NH1-OE2 2.82Å; R300-E303 PolarHBondContact NH1-OE2 2.83Å; R300-E303 WeakPolarHBondContact O-CB 3.1Å; R300-E303 PolarHBondContact O-N 2.87Å; R300-I304 WeakPolarHBondContact O-CB 3.41Å; R300-I304 WeakPolarHBondContact O-CD1 3.26Å; R300-I304 VanDerWaalsContact O-CG1 3.27Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 3.41Å; R300-L322 HydrophobicContact CB-CD1 3.55Å; R300-M326 HydrophobicContact CB-CG 4.3Å; R300-M326 HydrophobicContact CB-SD 4.41Å; R300-M326 HydrophobicContact CG-CG 4.15Å
301	L	87.9	Confident	79.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-43	174.5	-179.2	59.6	0	0	0	110.8	I297 M305 I318 L322 I337 E340 M341 I344	I297-L301 WeakPolarHBondContact O-CB 3.32Å; I297-L301 PolarHBondContact O-N 2.88Å; L301-M305 HydrophobicContact CD1-CG 4.25Å; L301-M305 HydrophobicContact CD1-SD 3.69Å; L301-M305 HydrophobicContact CG-SD 3.77Å; L301-M305 VanDerWaalsContact O-CB 3.31Å; L301-M305 WeakPolarHBondContact O-CB 3.32Å; L301-M305 WeakPolarHBondContact O-CG 3.49Å; L301-M305 PolarHBondContact O-N 3.4Å; L301-I318 HydrophobicContact CD1-CG2 3.36Å; L301-L322 HydrophobicContact CB-CD1 4.14Å; L301-L322 HydrophobicContact CB-CD2 4.38Å; L301-L322 HydrophobicContact CD1-CD2 4.41Å; L301-I337 HydrophobicContact CD1-CG2 4.17Å; L301-I337 HydrophobicContact CD2-CG2 4.04Å; L301-E340 HydrophobicContact CD2-CB 3.76Å; L301-M341 HydrophobicContact CD2-CB 4.47Å; L301-I344 HydrophobicContact CB-CD1 4.03Å; L301-I344 HydrophobicContact CD2-CD1 3.8Å; L301-I344 HydrophobicContact CG-CD1 3.67Å
302	R	80.3	Confident	78.8	Confident	43 Å²	43	67 Å²	67	16%	0.162	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-46	174	-176.3	179.8	-56.6	-89.7	-8.3	111.7	K298 M299 R300 M305 M306 I344	K298-R302 WeakPolarHBondContact O-CB 3.41Å; K298-R302 PolarHBondContact O-N 3.24Å; M299-R302 PolarHBondContact O-N 2.76Å; R300-R302 VanDerWaalsContact C-N 3.34Å; R300-R302 PolarHBondContact O-N 3.1Å; R302-M305 PolarHBondContact O-N 3.4Å; R302-M306 HydrophobicContact CG-CG 4.38Å; R302-M306 HydrophobicContact CG-SD 3.92Å; R302-M306 WeakPolarHBondContact O-CB 3.47Å; R302-M306 VanDerWaalsContact O-CG 3.29Å; R302-M306 WeakPolarHBondContact O-CG 3.42Å; R302-M306 PolarHBondContact O-N 3.38Å; R302-I344 HydrophobicContact CB-CD1 4.07Å; R302-I344 HydrophobicContact CB-CG1 4.41Å; R302-I344 HydrophobicContact CB-CG2 4.35Å; R302-I344 HydrophobicContact CG-CG2 4.32Å
303	E	81.9	Confident	78.8	Confident	68 Å²	68	62.3 Å²	62.3	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-50.6	177.3	-178.2	176.6	-169.2	0	0	111.9	M299 R300 M305 M306 Q307	M299-E303 PolarHBondContact O-N 2.99Å; M299-E303 VanDerWaalsContact O-N 3.1Å; R300-E303 WeakPolarHBondContact CD-OE2 3.25Å; R300-E303 IonicContact CZ-OE2 3.47Å; R300-E303 IonicContact NE-OE2 2.76Å; R300-E303 IonicContact NH1-OE1 2.77Å; R300-E303 PolarHBondContact NH1-OE1 3Å; R300-E303 IonicContact NH1-OE2 2.82Å; R300-E303 PolarHBondContact NH1-OE2 2.83Å; R300-E303 WeakPolarHBondContact O-CB 3.1Å; R300-E303 PolarHBondContact O-N 2.87Å; E303-M305 PolarHBondContact O-N 3.05Å; E303-M306 PolarHBondContact O-N 2.83Å; E303-Q307 VanDerWaalsContact CG-NE2 3.31Å; E303-Q307 WeakPolarHBondContact O-CB 3.28Å; E303-Q307 VanDerWaalsContact O-CG 3.26Å; E303-Q307 WeakPolarHBondContact O-CG 3.41Å; E303-Q307 PolarHBondContact O-N 3.19Å
304	I	85.6	Confident	78.6	Confident	1 Å²	1	61 Å²	61	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-46.7	176.2	-70.7	162.7	0	0	0	111.3	R300 M306 Q307 K308 I318 E321 L322 Q325	R300-I304 WeakPolarHBondContact O-CB 3.41Å; R300-I304 WeakPolarHBondContact O-CD1 3.26Å; R300-I304 VanDerWaalsContact O-CG1 3.27Å; R300-I304 WeakPolarHBondContact O-CG1 3.49Å; R300-I304 PolarHBondContact O-N 3.41Å; I304-M306 VanDerWaalsContact C-N 3.35Å; I304-M306 PolarHBondContact O-N 3.19Å; I304-Q307 PolarHBondContact O-N 2.94Å; I304-K308 HydrophobicContact CG2-CD 4.05Å; I304-K308 HydrophobicContact CG2-CG 4.39Å; I304-K308 WeakPolarHBondContact O-CB 3.2Å; I304-K308 PolarHBondContact O-N 2.9Å; I304-I318 HydrophobicContact CG2-CG2 4.2Å; I304-E321 HydrophobicContact CB-CG 4.45Å; I304-E321 HydrophobicContact CD1-CB 4.11Å; I304-E321 HydrophobicContact CD1-CG 3.7Å; I304-E321 HydrophobicContact CG1-CG 3.76Å; I304-E321 HydrophobicContact CG2-CB 4.12Å; I304-E321 HydrophobicContact CG2-CG 3.82Å; I304-L322 VanDerWaalsContact CD1-CA 3.5Å; I304-L322 HydrophobicContact CD1-CB 3.85Å; I304-L322 HydrophobicContact CD1-CD1 3.82Å; I304-L322 HydrophobicContact CD1-CG 4.46Å; I304-Q325 HydrophobicContact CD1-CG 4.43Å
305	M	81.8	Confident	78.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-69.9	-31.1	-177.2	-71.1	171.7	62.8	0	0	112.9	L301 R302 E303 L310 I318 M341 I344 L345 M348	L301-M305 HydrophobicContact CD1-CG 4.25Å; L301-M305 HydrophobicContact CD1-SD 3.69Å; L301-M305 HydrophobicContact CG-SD 3.77Å; L301-M305 VanDerWaalsContact O-CB 3.31Å; L301-M305 WeakPolarHBondContact O-CB 3.32Å; L301-M305 WeakPolarHBondContact O-CG 3.49Å; L301-M305 PolarHBondContact O-N 3.4Å; R302-M305 PolarHBondContact O-N 3.4Å; E303-M305 PolarHBondContact O-N 3.05Å; M305-L310 HydrophobicContact CB-CD2 4.33Å; M305-L310 HydrophobicContact CG-CD2 4.39Å; M305-I318 HydrophobicContact CG-CD1 4.21Å; M305-I318 HydrophobicContact CG-CG2 4.06Å; M305-M341 HydrophobicContact CE-CB 4.42Å; M305-M341 HydrophobicContact CE-CG 3.77Å; M305-M341 WeakPolarHBondContact CE-O 3.37Å; M305-M341 HydrophobicContact SD-CB 4.2Å; M305-M341 HydrophobicContact SD-CG 3.9Å; M305-I344 HydrophobicContact CB-CG2 4.23Å; M305-I344 HydrophobicContact CE-CB 3.88Å; M305-I344 HydrophobicContact CE-CG2 3.56Å; M305-I344 HydrophobicContact SD-CB 4.06Å; M305-I344 HydrophobicContact SD-CD1 4.34Å; M305-I344 HydrophobicContact SD-CG2 3.74Å; M305-L345 HydrophobicContact CE-CD2 4.15Å; M305-L345 HydrophobicContact CE-CG 3.72Å; M305-M348 HydrophobicContact CB-SD 3.76Å; M305-M348 HydrophobicContact CE-SD 4.24Å; M305-M348 VanDerWaalsContact O-CE 3.27Å; M305-M348 WeakPolarHBondContact O-CE 3.46Å
306	M	75.1	Confident	78.3	Confident	131 Å²	131	60 Å²	60	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-77.4	-20.3	173.2	-68.4	-175.4	78.2	0	0	113.3	R302 E303 I304 M348	R302-M306 HydrophobicContact CG-CG 4.38Å; R302-M306 HydrophobicContact CG-SD 3.92Å; R302-M306 WeakPolarHBondContact O-CB 3.47Å; R302-M306 VanDerWaalsContact O-CG 3.29Å; R302-M306 WeakPolarHBondContact O-CG 3.42Å; R302-M306 PolarHBondContact O-N 3.38Å; E303-M306 PolarHBondContact O-N 2.83Å; I304-M306 VanDerWaalsContact C-N 3.35Å; I304-M306 PolarHBondContact O-N 3.19Å; M306-M348 HydrophobicContact CG-CE 4.11Å; M306-M348 HydrophobicContact CG-CG 4.19Å; M306-M348 HydrophobicContact CG-SD 4.18Å
307	Q	75.6	Confident	78.2	Confident	130 Å²	130	60.1 Å²	60.1	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-90.2	-30.2	176	-71.2	172.4	12.1	0	0	113.6	E303 I304	E303-Q307 VanDerWaalsContact CG-NE2 3.31Å; E303-Q307 WeakPolarHBondContact O-CB 3.28Å; E303-Q307 VanDerWaalsContact O-CG 3.26Å; E303-Q307 WeakPolarHBondContact O-CG 3.41Å; E303-Q307 PolarHBondContact O-N 3.19Å; I304-Q307 PolarHBondContact O-N 2.94Å
308	K	74.4	Confident	78	Confident	59 Å²	59	60.1 Å²	60.1	26%	0.257	28%	0.284	S	S	.	.	S	Bend	trans	-94.1	146.2	-175.8	-72.2	-165.9	176.8	-171.4	0	113.5	I304 L310 V313 E321	I304-K308 HydrophobicContact CG2-CD 4.05Å; I304-K308 HydrophobicContact CG2-CG 4.39Å; I304-K308 WeakPolarHBondContact O-CB 3.2Å; I304-K308 PolarHBondContact O-N 2.9Å; K308-L310 PolarHBondContact O-N 2.82Å; K308-L310 VanDerWaalsContact O-N 3.12Å; K308-V313 HydrophobicContact CB-CG2 4.36Å; K308-V313 HydrophobicContact CD-CG1 4.25Å; K308-V313 HydrophobicContact CD-CG2 4.44Å; K308-E321 VanDerWaalsContact CE-OE2 3.27Å; K308-E321 WeakPolarHBondContact CE-OE2 3.25Å; K308-E321 IonicContact NZ-OE2 2.68Å; K308-E321 PolarHBondContact NZ-OE2 3.03Å
309	D	72.9	Confident	78.1	Confident	91 Å²	91	58.2 Å²	58.2	49%	0.487	28%	0.275	S	S	.	.			trans	-73.9	98.5	174	177.7	2.2	0	0	0	111.7	E311 N312 V313	D309-E311 PolarHBondContact O-N 3.37Å; D309-E311 WeakPolarHBondContact OD1-CB 3.47Å; D309-E311 PolarHBondContact OD1-N 3.3Å; D309-E311 VanDerWaalsContact OD1-N 3.09Å; D309-N312 PolarHBondContact O-N 3.19Å; D309-N312 VanDerWaalsContact O-N 3.12Å; D309-N312 PolarHBondContact OD2-ND2 3.17Å; D309-V313 WeakPolarHBondContact O-CB 3.49Å; D309-V313 VanDerWaalsContact O-CG2 3.3Å; D309-V313 WeakPolarHBondContact O-CG2 3.39Å; D309-V313 PolarHBondContact O-N 3.47Å
310	L	75.1	Confident	78.3	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.178	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.4	-176.3	-59.1	177.6	0	0	0	114.7	M305 K308 N312 I318 L345 M348	M305-L310 HydrophobicContact CB-CD2 4.33Å; M305-L310 HydrophobicContact CG-CD2 4.39Å; K308-L310 PolarHBondContact O-N 2.82Å; K308-L310 VanDerWaalsContact O-N 3.12Å; L310-N312 PolarHBondContact O-N 2.88Å; L310-I318 HydrophobicContact CD2-CD1 4.05Å; L310-L345 HydrophobicContact CD1-CD2 3.75Å; L310-M348 HydrophobicContact CD1-CE 3.51Å; L310-M348 HydrophobicContact CD1-SD 3.81Å
311	E	55.6	Low	78.2	Confident	113 Å²	113	55.3 Å²	55.3	53%	0.528	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.8	172.4	-63.6	-165	175.1	0	0	112.2	D309	D309-E311 PolarHBondContact O-N 3.37Å; D309-E311 WeakPolarHBondContact OD1-CB 3.47Å; D309-E311 PolarHBondContact OD1-N 3.3Å; D309-E311 VanDerWaalsContact OD1-N 3.09Å
312	N	66.9	Low	78.3	Confident	75 Å²	75	55.3 Å²	55.3	40%	0.401	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-8.9	-165.9	-70.7	-59.4	0	0	0	114.5	K86 D309 L310	K86-N312 WeakPolarHBondContact CD-OD1 3.3Å; K86-N312 WeakPolarHBondContact CE-OD1 3.47Å; K86-N312 PolarHBondContact NZ-OD1 3.43Å; D309-N312 PolarHBondContact O-N 3.19Å; D309-N312 VanDerWaalsContact O-N 3.12Å; D309-N312 PolarHBondContact OD2-ND2 3.17Å; L310-N312 PolarHBondContact O-N 2.88Å
313	V	77.8	Confident	78.7	Confident	19 Å²	19	56 Å²	56	12%	0.115	28%	0.275	C	S	.	.			trans	-107.1	141.7	-172.3	167.8	0	0	0	0	111.9	K308 D309 E317 I318	K308-V313 HydrophobicContact CB-CG2 4.36Å; K308-V313 HydrophobicContact CD-CG1 4.25Å; K308-V313 HydrophobicContact CD-CG2 4.44Å; D309-V313 WeakPolarHBondContact O-CB 3.49Å; D309-V313 VanDerWaalsContact O-CG2 3.3Å; D309-V313 WeakPolarHBondContact O-CG2 3.39Å; D309-V313 PolarHBondContact O-N 3.47Å; V313-E317 WeakPolarHBondContact CA-OE2 3.22Å; V313-E317 HydrophobicContact CG1-CB 3.91Å; V313-I318 HydrophobicContact CG1-CD1 4.2Å; V313-I318 HydrophobicContact CG1-CG1 3.69Å
314	T	76.5	Confident	78.8	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.141	29%	0.289	C	S	.	.			trans	-87.3	154.6	174.4	67.7	0	0	0	0	112.5	K316 E317 I318	T314-K316 PolarHBondContact O-N 2.93Å; T314-E317 WeakPolarHBondContact CB-OE1 3.46Å; T314-E317 WeakPolarHBondContact CG2-OE1 3.47Å; T314-E317 PolarHBondContact N-OE2 2.77Å; T314-E317 WeakPolarHBondContact O-CB 3.45Å; T314-E317 PolarHBondContact O-N 2.85Å; T314-E317 WeakPolarHBondContact OG1-CG 3.16Å; T314-E317 PolarHBondContact OG1-N 3.42Å; T314-E317 VanDerWaalsContact OG1-N 3.15Å; T314-E317 PolarHBondContact OG1-OE1 2.82Å; T314-I318 PolarHBondContact O-N 3.44Å
315	S	76.9	Confident	78.7	Confident	8 Å²	8	61.7 Å²	61.7	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-27.5	173.1	48.3	0	0	0	0	112.4	G199 V217 I318 R319 M341	G199-S315 WeakPolarHBondContact CA-OG 3.32Å; V217-S315 VanDerWaalsContact CG2-N 3.33Å; S315-I318 PolarHBondContact O-N 3.36Å; S315-R319 WeakPolarHBondContact O-CB 3.23Å; S315-R319 PolarHBondContact O-N 3.12Å; S315-R319 PolarHBondContact OG-NH2 2.95Å; S315-M341 VanDerWaalsContact CB-SD 3.58Å
316	K	79.4	Confident	78.8	Confident	132 Å²	132	62.9 Å²	62.9	57%	0.574	31%	0.309	S	S	*	.	H	α-helix	trans	-62.4	-46.9	169	-176.1	-178.1	176.3	-175.4	0	111.9	T314 I318 R319 T320	T314-K316 PolarHBondContact O-N 2.93Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.74Å; K316-R319 PolarHBondContact O-N 2.88Å; K316-T320 WeakPolarHBondContact O-CB 3.41Å; K316-T320 PolarHBondContact O-N 3.41Å; K316-T320 PolarHBondContact O-OG1 2.9Å; K316-T320 VanDerWaalsContact O-OG1 3.09Å
317	E	80.7	Confident	79.1	Confident	84 Å²	84	61 Å²	61	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-33.1	174.8	-74.2	141.9	-131.6	0	0	113.1	V313 T314 E321	V313-E317 WeakPolarHBondContact CA-OE2 3.22Å; V313-E317 HydrophobicContact CG1-CB 3.91Å; T314-E317 WeakPolarHBondContact CB-OE1 3.46Å; T314-E317 WeakPolarHBondContact CG2-OE1 3.47Å; T314-E317 PolarHBondContact N-OE2 2.77Å; T314-E317 WeakPolarHBondContact O-CB 3.45Å; T314-E317 PolarHBondContact O-N 2.85Å; T314-E317 WeakPolarHBondContact OG1-CG 3.16Å; T314-E317 PolarHBondContact OG1-N 3.42Å; T314-E317 VanDerWaalsContact OG1-N 3.15Å; T314-E317 PolarHBondContact OG1-OE1 2.82Å; E317-E321 VanDerWaalsContact O-CB 3.25Å; E317-E321 WeakPolarHBondContact O-CB 3.42Å; E317-E321 PolarHBondContact O-N 3.47Å
318	I	84.6	Confident	79.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-46.1	172.4	-64.3	168	0	0	0	110	V217 L301 I304 M305 L310 V313 T314 S315 K316 E321 L322 M341	V217-I318 HydrophobicContact CG2-CD1 4.3Å; L301-I318 HydrophobicContact CD1-CG2 3.36Å; I304-I318 HydrophobicContact CG2-CG2 4.2Å; M305-I318 HydrophobicContact CG-CD1 4.21Å; M305-I318 HydrophobicContact CG-CG2 4.06Å; L310-I318 HydrophobicContact CD2-CD1 4.05Å; V313-I318 HydrophobicContact CG1-CD1 4.2Å; V313-I318 HydrophobicContact CG1-CG1 3.69Å; T314-I318 PolarHBondContact O-N 3.44Å; S315-I318 PolarHBondContact O-N 3.36Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-I318 PolarHBondContact O-N 2.74Å; I318-E321 PolarHBondContact O-N 2.86Å; I318-L322 WeakPolarHBondContact O-CB 3.33Å; I318-L322 PolarHBondContact O-N 2.93Å; I318-M341 HydrophobicContact CD1-SD 4.03Å
319	R	84.9	Confident	79.2	Confident	27 Å²	27	59.7 Å²	59.7	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-43.8	175.7	-93.6	-179	-89.5	99.9	-0.3	113.2	G197 D198 S315 K316 L322 E323 I337 D338	G197-R319 PolarHBondContact O-NE 3.47Å; G197-R319 VanDerWaalsContact O-NE 3.16Å; G197-R319 PolarHBondContact O-NH1 3.14Å; G197-R319 PolarHBondContact O-NH2 3.31Å; G197-R319 VanDerWaalsContact O-NH2 3.13Å; D198-R319 PolarHBondContact O-NH1 2.89Å; D198-R319 VanDerWaalsContact O-NH1 3.14Å; D198-R319 PolarHBondContact O-NH2 2.74Å; D198-R319 VanDerWaalsContact O-NH2 3.11Å; S315-R319 WeakPolarHBondContact O-CB 3.23Å; S315-R319 PolarHBondContact O-N 3.12Å; S315-R319 PolarHBondContact OG-NH2 2.95Å; K316-R319 PolarHBondContact O-N 2.88Å; R319-L322 WeakPolarHBondContact O-CB 3.45Å; R319-L322 PolarHBondContact O-N 3.41Å; R319-E323 WeakPolarHBondContact O-CG 3.22Å; R319-E323 PolarHBondContact O-N 3.2Å; R319-I337 HydrophobicContact CG-CB 4.35Å; R319-I337 HydrophobicContact CG-CD1 4.41Å; R319-I337 HydrophobicContact CG-CG2 3.52Å; R319-D338 IonicContact CZ-OD1 3.3Å; R319-D338 IonicContact CZ-OD2 2.67Å; R319-D338 IonicContact NE-OD1 3.76Å; R319-D338 PolarHBondContact NE-OD1 2.76Å; R319-D338 IonicContact NE-OD2 3.6Å; R319-D338 IonicContact NH2-OD1 2.68Å; R319-D338 PolarHBondContact NH2-OD1 2.58Å; R319-D338 IonicContact NH2-OD2 2.67Å; R319-D338 PolarHBondContact NH2-OD2 3.09Å; R319-D338 VanDerWaalsContact NH2-OD2 3.08Å
320	T	84.2	Confident	79.6	Confident	80 Å²	80	55.6 Å²	55.6	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-37.7	177.6	-60.6	0	0	0	0	112	K316 M324	K316-T320 WeakPolarHBondContact O-CB 3.41Å; K316-T320 PolarHBondContact O-N 3.41Å; K316-T320 PolarHBondContact O-OG1 2.9Å; K316-T320 VanDerWaalsContact O-OG1 3.09Å; T320-M324 WeakPolarHBondContact O-CB 3.4Å; T320-M324 PolarHBondContact O-N 3.19Å
321	E	84.8	Confident	79.6	Confident	41 Å²	41	61.6 Å²	61.6	19%	0.192	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-43.2	170.8	-172	71.9	-140.2	0	0	111.6	I304 K308 E317 I318 M324 Q325	I304-E321 HydrophobicContact CB-CG 4.45Å; I304-E321 HydrophobicContact CD1-CB 4.11Å; I304-E321 HydrophobicContact CD1-CG 3.7Å; I304-E321 HydrophobicContact CG1-CG 3.76Å; I304-E321 HydrophobicContact CG2-CB 4.12Å; I304-E321 HydrophobicContact CG2-CG 3.82Å; K308-E321 VanDerWaalsContact CE-OE2 3.27Å; K308-E321 WeakPolarHBondContact CE-OE2 3.25Å; K308-E321 IonicContact NZ-OE2 2.68Å; K308-E321 PolarHBondContact NZ-OE2 3.03Å; E317-E321 VanDerWaalsContact O-CB 3.25Å; E317-E321 WeakPolarHBondContact O-CB 3.42Å; E317-E321 PolarHBondContact O-N 3.47Å; I318-E321 PolarHBondContact O-N 2.86Å; E321-M324 WeakPolarHBondContact O-CB 3.5Å; E321-M324 PolarHBondContact O-N 3.44Å; E321-M324 WeakPolarHBondContact OE1-CE 3.46Å; E321-Q325 HydrophobicContact CG-CG 4.35Å; E321-Q325 WeakPolarHBondContact O-CB 3.31Å; E321-Q325 WeakPolarHBondContact O-CG 3.45Å; E321-Q325 PolarHBondContact O-N 3.02Å; E321-Q325 PolarHBondContact OE1-NE2 3.44Å
322	L	88.8	Confident	80.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-43.9	180	-174.2	72.3	0	0	0	112	I297 R300 L301 I304 I318 R319 M324 Q325 M326 L330 I337	I297-L322 HydrophobicContact CG2-CD2 4.05Å; R300-L322 HydrophobicContact CB-CD1 3.55Å; L301-L322 HydrophobicContact CB-CD1 4.14Å; L301-L322 HydrophobicContact CB-CD2 4.38Å; L301-L322 HydrophobicContact CD1-CD2 4.41Å; I304-L322 VanDerWaalsContact CD1-CA 3.5Å; I304-L322 HydrophobicContact CD1-CB 3.85Å; I304-L322 HydrophobicContact CD1-CD1 3.82Å; I304-L322 HydrophobicContact CD1-CG 4.46Å; I318-L322 WeakPolarHBondContact O-CB 3.33Å; I318-L322 PolarHBondContact O-N 2.93Å; R319-L322 WeakPolarHBondContact O-CB 3.45Å; R319-L322 PolarHBondContact O-N 3.41Å; L322-M324 VanDerWaalsContact C-N 3.29Å; L322-M324 PolarHBondContact O-N 2.93Å; L322-Q325 PolarHBondContact O-N 3.4Å; L322-M326 HydrophobicContact CD1-CG 4.22Å; L322-M326 HydrophobicContact CD1-SD 3.8Å; L322-M326 HydrophobicContact CG-CG 4.5Å; L322-M326 HydrophobicContact CG-SD 4.02Å; L322-M326 VanDerWaalsContact O-CB 3.26Å; L322-M326 WeakPolarHBondContact O-CB 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.25Å; L322-M326 PolarHBondContact O-N 2.82Å; L322-L330 HydrophobicContact CB-CD1 4.22Å; L322-L330 HydrophobicContact CD2-CD1 3.62Å; L322-L330 HydrophobicContact CG-CD1 3.54Å; L322-I337 HydrophobicContact CD2-CD1 3.72Å; L322-I337 HydrophobicContact CD2-CG1 3.83Å; L322-I337 HydrophobicContact CD2-CG2 4.12Å
323	E	88.6	Confident	81.2	Confident	59 Å²	59	61.9 Å²	61.9	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-38.2	172.8	-72	-170.7	124.5	0	0	111.8	R319 A327 C328 N329 L330	R319-E323 WeakPolarHBondContact O-CG 3.22Å; R319-E323 PolarHBondContact O-N 3.2Å; E323-A327 WeakPolarHBondContact O-CA 3.37Å; E323-A327 PolarHBondContact O-N 3.07Å; E323-C328 PolarHBondContact O-N 2.85Å; E323-N329 PolarHBondContact OE1-ND2 3.05Å; E323-L330 HydrophobicContact CG-CB 3.79Å; E323-L330 HydrophobicContact CG-CD1 3.88Å; E323-L330 HydrophobicContact CG-CG 3.83Å; E323-L330 PolarHBondContact OE1-N 3.16Å
324	M	85	Confident	81.2	Confident	123 Å²	123	64.6 Å²	64.6	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-67.9	-49.4	176	-176.7	175.8	67.6	0	0	112.2	T320 E321 L322 M326 A327	T320-M324 WeakPolarHBondContact O-CB 3.4Å; T320-M324 PolarHBondContact O-N 3.19Å; E321-M324 WeakPolarHBondContact O-CB 3.5Å; E321-M324 PolarHBondContact O-N 3.44Å; E321-M324 WeakPolarHBondContact OE1-CE 3.46Å; L322-M324 VanDerWaalsContact C-N 3.29Å; L322-M324 PolarHBondContact O-N 2.93Å; M324-M326 VanDerWaalsContact C-N 3.34Å; M324-M326 PolarHBondContact O-N 3.1Å; M324-A327 PolarHBondContact O-N 2.79Å
325	Q	83	Confident	81.1	Confident	64 Å²	64	69.1 Å²	69.1	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-71.5	-26.5	-178.2	-69.1	-170.5	13.7	0	0	113.5	I304 E321 L322	I304-Q325 HydrophobicContact CD1-CG 4.43Å; E321-Q325 HydrophobicContact CG-CG 4.35Å; E321-Q325 WeakPolarHBondContact O-CB 3.31Å; E321-Q325 WeakPolarHBondContact O-CG 3.45Å; E321-Q325 PolarHBondContact O-N 3.02Å; E321-Q325 PolarHBondContact OE1-NE2 3.44Å; L322-Q325 PolarHBondContact O-N 3.4Å
326	M	83.4	Confident	81.3	Confident	26 Å²	26	70.8 Å²	70.8	13%	0.128	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6	172.9	-63.5	-171	56.2	0	0	113.4	L296 I297 R300 L322 M324 C328 L330	L296-M326 HydrophobicContact CB-CE 4.06Å; L296-M326 HydrophobicContact CD2-CE 3.77Å; L296-M326 HydrophobicContact CG-CE 3.73Å; I297-M326 HydrophobicContact CB-SD 4.34Å; I297-M326 HydrophobicContact CG1-CE 3.77Å; I297-M326 HydrophobicContact CG1-SD 3.67Å; R300-M326 HydrophobicContact CB-CG 4.3Å; R300-M326 HydrophobicContact CB-SD 4.41Å; R300-M326 HydrophobicContact CG-CG 4.15Å; L322-M326 HydrophobicContact CD1-CG 4.22Å; L322-M326 HydrophobicContact CD1-SD 3.8Å; L322-M326 HydrophobicContact CG-CG 4.5Å; L322-M326 HydrophobicContact CG-SD 4.02Å; L322-M326 VanDerWaalsContact O-CB 3.26Å; L322-M326 WeakPolarHBondContact O-CB 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.25Å; L322-M326 PolarHBondContact O-N 2.82Å; M324-M326 VanDerWaalsContact C-N 3.34Å; M324-M326 PolarHBondContact O-N 3.1Å; M326-C328 PolarHBondContact O-N 2.88Å; M326-C328 VanDerWaalsContact O-N 3.09Å; M326-C328 PolarHBondContact O-SG 3.32Å; M326-C328 VanDerWaalsContact O-SG 3.36Å; M326-L330 HydrophobicContact CE-CD2 4.34Å; M326-L330 HydrophobicContact SD-CD1 4.02Å; M326-L330 HydrophobicContact SD-CD2 4.49Å
327	A	82	Confident	81.5	Confident	93 Å²	93	64.6 Å²	64.6	77%	0.769	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	31.6	-178.7	0	0	0	0	0	114.7	E323 M324	E323-A327 WeakPolarHBondContact O-CA 3.37Å; E323-A327 PolarHBondContact O-N 3.07Å; M324-A327 PolarHBondContact O-N 2.79Å
328	C	76.3	Confident	81.4	Confident	57 Å²	57	60.7 Å²	60.7	39%	0.385	31%	0.306	S	S	.	.	S	Bend	trans	-144	157.6	-178.1	60.5	0	0	0	0	111.2	E323 M326	E323-C328 PolarHBondContact O-N 2.85Å; M326-C328 PolarHBondContact O-N 2.88Å; M326-C328 VanDerWaalsContact O-N 3.09Å; M326-C328 PolarHBondContact O-SG 3.32Å; M326-C328 VanDerWaalsContact O-SG 3.36Å
329	N	76.7	Confident	80.9	Confident	104 Å²	104	63 Å²	63	56%	0.556	32%	0.318	S	S	*	.			trans	-81.7	129.8	176.9	-171.8	-111.6	0	0	0	110.5	E323 R331	E323-N329 PolarHBondContact OE1-ND2 3.05Å; N329-R331 WeakPolarHBondContact OD1-CB 3.42Å
330	L	80.8	Confident	80.6	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	32%	0.319	C	S	.	.			trans	-111.3	18.2	-172.5	-61.3	176.3	0	0	0	112.7	I297 L322 E323 M326 E332 F333 K334 I337	I297-L330 HydrophobicContact CD1-CD2 3.96Å; I297-L330 HydrophobicContact CG1-CD1 4.48Å; I297-L330 HydrophobicContact CG1-CD2 4.15Å; L322-L330 HydrophobicContact CB-CD1 4.22Å; L322-L330 HydrophobicContact CD2-CD1 3.62Å; L322-L330 HydrophobicContact CG-CD1 3.54Å; E323-L330 HydrophobicContact CG-CB 3.79Å; E323-L330 HydrophobicContact CG-CD1 3.88Å; E323-L330 HydrophobicContact CG-CG 3.83Å; E323-L330 PolarHBondContact OE1-N 3.16Å; M326-L330 HydrophobicContact CE-CD2 4.34Å; M326-L330 HydrophobicContact SD-CD1 4.02Å; M326-L330 HydrophobicContact SD-CD2 4.49Å; L330-E332 VanDerWaalsContact C-N 3.26Å; L330-E332 PolarHBondContact O-N 3.31Å; L330-F333 HydrophobicContact CD2-CD2 4.21Å; L330-F333 CarbonylContact O-C 3.6Å; L330-F333 WeakPolarHBondContact O-CA 3.15Å; L330-F333 PolarHBondContact O-N 3.26Å; L330-K334 PolarHBondContact O-N 3.16Å; L330-I337 HydrophobicContact CB-CD1 3.77Å; L330-I337 HydrophobicContact CD1-CD1 4.08Å
331	R	74.9	Confident	80.4	Confident	160 Å²	160	59.1 Å²	59.1	60%	0.604	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-54.8	-38.6	-178.9	-171.1	-170.6	-55.9	-146	0.6	113.2	N329 F333 K334	N329-R331 WeakPolarHBondContact OD1-CB 3.42Å; R331-F333 PolarHBondContact O-N 3.03Å; R331-K334 WeakPolarHBondContact O-CB 3.33Å; R331-K334 PolarHBondContact O-N 2.91Å
332	E	76.9	Confident	79.6	Confident	174 Å²	174	58.8 Å²	58.8	81%	0.813	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-72.2	-17	177.4	-61.5	-171.2	176.9	0	0	113.5	L330	L330-E332 VanDerWaalsContact C-N 3.26Å; L330-E332 PolarHBondContact O-N 3.31Å
333	F	79.4	Confident	78.6	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.083	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-103.9	5.8	178.5	-59.2	-85.1	0	0	0	112.8	R290 I293 E294 I297 L330 R331 E335 F336 I337	R290-F333 HydrophobicContact CG-CE1 3.82Å; R290-F333 HydrophobicContact CG-CZ 4.25Å; I293-F333 HydrophobicContact CB-CE1 4.37Å; I293-F333 HydrophobicContact CB-CZ 3.98Å; I293-F333 HydrophobicContact CD1-CZ 4.28Å; I293-F333 HydrophobicContact CG2-CD1 4.48Å; I293-F333 HydrophobicContact CG2-CD2 4.16Å; I293-F333 HydrophobicContact CG2-CE1 3.98Å; I293-F333 HydrophobicContact CG2-CE2 3.63Å; I293-F333 HydrophobicContact CG2-CZ 3.53Å; E294-F333 HydrophobicContact CG-CD1 3.83Å; E294-F333 HydrophobicContact CG-CE1 3.75Å; I297-F333 HydrophobicContact CD1-CB 3.52Å; I297-F333 HydrophobicContact CD1-CD1 3.72Å; I297-F333 HydrophobicContact CD1-CD2 4.02Å; I297-F333 HydrophobicContact CD1-CE1 4.45Å; I297-F333 HydrophobicContact CD1-CG 3.47Å; I297-F333 VanDerWaalsContact CD1-CG 3.47Å; L330-F333 HydrophobicContact CD2-CD2 4.21Å; L330-F333 CarbonylContact O-C 3.6Å; L330-F333 WeakPolarHBondContact O-CA 3.15Å; L330-F333 PolarHBondContact O-N 3.26Å; R331-F333 PolarHBondContact O-N 3.03Å; F333-E335 VanDerWaalsContact C-N 3.31Å; F333-E335 PolarHBondContact O-N 3.44Å; F333-F336 CarbonylContact O-C 3.47Å; F333-F336 WeakPolarHBondContact O-CA 3.48Å; F333-F336 WeakPolarHBondContact O-CB 3.32Å; F333-F336 PolarHBondContact O-N 3.2Å; F333-I337 HydrophobicContact CB-CD1 4.03Å; F333-I337 HydrophobicContact CB-CG1 4.38Å; F333-I337 WeakPolarHBondContact O-CG1 3.22Å; F333-I337 PolarHBondContact O-N 2.79Å
334	K	77	Confident	77.9	Confident	76 Å²	76	57.1 Å²	57.1	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-49.5	-46.1	-177.4	-175	-165.4	-170.5	-143.3	0	113.2	D196 G197 L330 R331 D338	D196-K334 WeakPolarHBondContact O-CE 3.29Å; D196-K334 PolarHBondContact O-NZ 3.07Å; G197-K334 VanDerWaalsContact O-CE 3.27Å; G197-K334 WeakPolarHBondContact O-CE 3.45Å; G197-K334 WeakPolarHBondContact O-CG 3.49Å; L330-K334 PolarHBondContact O-N 3.16Å; R331-K334 WeakPolarHBondContact O-CB 3.33Å; R331-K334 PolarHBondContact O-N 2.91Å; K334-D338 PolarHBondContact O-N 2.82Å; K334-D338 VanDerWaalsContact O-N 3.17Å
335	E	74.3	Confident	77	Confident	118 Å²	118	53.7 Å²	53.7	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-66.8	-45.2	175.4	-173.5	-167.7	158.2	0	0	112.2	F333 I337 D338 N339	F333-E335 VanDerWaalsContact C-N 3.31Å; F333-E335 PolarHBondContact O-N 3.44Å; E335-I337 VanDerWaalsContact C-N 3.32Å; E335-I337 PolarHBondContact O-N 2.97Å; E335-D338 PolarHBondContact O-N 2.88Å; E335-N339 WeakPolarHBondContact O-CB 3.22Å; E335-N339 PolarHBondContact O-N 2.83Å; E335-N339 PolarHBondContact O-ND2 2.9Å
336	F	80.6	Confident	75.9	Confident	44 Å²	44	51.6 Å²	51.6	19%	0.193	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-39	177.7	175.9	-98.4	0	0	0	111.9	E294 I297 F333 E340	E294-F336 HydrophobicContact CB-CD1 4.35Å; E294-F336 HydrophobicContact CB-CE1 3.69Å; E294-F336 HydrophobicContact CB-CE2 4.12Å; E294-F336 HydrophobicContact CB-CZ 3.57Å; E294-F336 HydrophobicContact CG-CD1 3.96Å; E294-F336 HydrophobicContact CG-CD2 4.23Å; E294-F336 HydrophobicContact CG-CE1 3.82Å; E294-F336 HydrophobicContact CG-CE2 4.11Å; E294-F336 HydrophobicContact CG-CG 4.17Å; E294-F336 HydrophobicContact CG-CZ 3.91Å; E294-F336 WeakPolarHBondContact O-CE1 3.07Å; I297-F336 HydrophobicContact CB-CD1 4.48Å; I297-F336 HydrophobicContact CB-CE1 4.07Å; I297-F336 HydrophobicContact CD1-CD1 4.33Å; I297-F336 HydrophobicContact CG2-CD1 3.85Å; I297-F336 HydrophobicContact CG2-CE1 3.65Å; F333-F336 CarbonylContact O-C 3.47Å; F333-F336 WeakPolarHBondContact O-CA 3.48Å; F333-F336 WeakPolarHBondContact O-CB 3.32Å; F333-F336 PolarHBondContact O-N 3.2Å; F336-E340 HydrophobicContact CD1-CG 4.3Å; F336-E340 HydrophobicContact CD2-CG 4.26Å; F336-E340 HydrophobicContact CE1-CG 3.81Å; F336-E340 HydrophobicContact CE2-CG 3.77Å; F336-E340 HydrophobicContact CG-CG 4.5Å; F336-E340 HydrophobicContact CZ-CG 3.52Å; F336-E340 VanDerWaalsContact O-CB 3.29Å; F336-E340 WeakPolarHBondContact O-CB 3.49Å; F336-E340 WeakPolarHBondContact O-CG 3.32Å; F336-E340 PolarHBondContact O-N 2.89Å
337	I	84.8	Confident	74.7	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-44.9	177.5	-67.8	158.3	0	0	0	111.2	I297 L301 R319 L322 L330 F333 E335 N339 E340 M341	I297-I337 HydrophobicContact CD1-CG1 4.49Å; I297-I337 HydrophobicContact CG2-CG1 3.66Å; L301-I337 HydrophobicContact CD1-CG2 4.17Å; L301-I337 HydrophobicContact CD2-CG2 4.04Å; R319-I337 HydrophobicContact CG-CB 4.35Å; R319-I337 HydrophobicContact CG-CD1 4.41Å; R319-I337 HydrophobicContact CG-CG2 3.52Å; L322-I337 HydrophobicContact CD2-CD1 3.72Å; L322-I337 HydrophobicContact CD2-CG1 3.83Å; L322-I337 HydrophobicContact CD2-CG2 4.12Å; L330-I337 HydrophobicContact CB-CD1 3.77Å; L330-I337 HydrophobicContact CD1-CD1 4.08Å; F333-I337 HydrophobicContact CB-CD1 4.03Å; F333-I337 HydrophobicContact CB-CG1 4.38Å; F333-I337 WeakPolarHBondContact O-CG1 3.22Å; F333-I337 PolarHBondContact O-N 2.79Å; E335-I337 VanDerWaalsContact C-N 3.32Å; E335-I337 PolarHBondContact O-N 2.97Å; I337-N339 VanDerWaalsContact C-N 3.34Å; I337-E340 PolarHBondContact O-N 3.4Å; I337-M341 WeakPolarHBondContact O-CB 3.25Å; I337-M341 PolarHBondContact O-N 3.07Å
338	D	78.2	Confident	73.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-32.3	179.4	-83.8	20	0	0	0	111.9	G197 R319 K334 E335 M341 I342	G197-D338 VanDerWaalsContact C-OD2 3.24Å; G197-D338 VanDerWaalsContact CA-OD2 3.24Å; G197-D338 WeakPolarHBondContact CA-OD2 3.45Å; R319-D338 IonicContact CZ-OD1 3.3Å; R319-D338 IonicContact CZ-OD2 2.67Å; R319-D338 IonicContact NE-OD1 3.76Å; R319-D338 PolarHBondContact NE-OD1 2.76Å; R319-D338 IonicContact NE-OD2 3.6Å; R319-D338 IonicContact NH2-OD1 2.68Å; R319-D338 PolarHBondContact NH2-OD1 2.58Å; R319-D338 IonicContact NH2-OD2 2.67Å; R319-D338 PolarHBondContact NH2-OD2 3.09Å; R319-D338 VanDerWaalsContact NH2-OD2 3.08Å; K334-D338 PolarHBondContact O-N 2.82Å; K334-D338 VanDerWaalsContact O-N 3.17Å; E335-D338 PolarHBondContact O-N 2.88Å; D338-M341 HydrophobicContact CB-CE 4.23Å; D338-I342 PolarHBondContact O-N 2.83Å
339	N	73.3	Confident	73.3	Confident	50 Å²	50	50.8 Å²	50.8	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-49.5	170.2	-72.9	-27	0	0	0	112.3	E335 I337 M341 I342 V343	E335-N339 WeakPolarHBondContact O-CB 3.22Å; E335-N339 PolarHBondContact O-N 2.83Å; E335-N339 PolarHBondContact O-ND2 2.9Å; I337-N339 VanDerWaalsContact C-N 3.34Å; N339-M341 VanDerWaalsContact C-N 3.3Å; N339-M341 PolarHBondContact O-N 2.76Å; N339-I342 WeakPolarHBondContact O-CB 3.47Å; N339-I342 PolarHBondContact O-N 3.34Å; N339-I342 VanDerWaalsContact O-N 3.1Å; N339-V343 PolarHBondContact O-N 2.79Å
340	E	80.4	Confident	73.3	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-31.5	177.3	-79.4	-70.9	-179	0	0	112.5	K298 L301 F336 I337 I342 V343 I344	K298-E340 WeakPolarHBondContact CD-OE1 3.43Å; K298-E340 IonicContact NZ-OE1 3.78Å; K298-E340 PolarHBondContact NZ-OE1 3.39Å; K298-E340 IonicContact NZ-OE2 3.34Å; K298-E340 PolarHBondContact NZ-OE2 2.9Å; L301-E340 HydrophobicContact CD2-CB 3.76Å; F336-E340 HydrophobicContact CD1-CG 4.3Å; F336-E340 HydrophobicContact CD2-CG 4.26Å; F336-E340 HydrophobicContact CE1-CG 3.81Å; F336-E340 HydrophobicContact CE2-CG 3.77Å; F336-E340 HydrophobicContact CG-CG 4.5Å; F336-E340 HydrophobicContact CZ-CG 3.52Å; F336-E340 VanDerWaalsContact O-CB 3.29Å; F336-E340 WeakPolarHBondContact O-CB 3.49Å; F336-E340 WeakPolarHBondContact O-CG 3.32Å; F336-E340 PolarHBondContact O-N 2.89Å; I337-E340 PolarHBondContact O-N 3.4Å; E340-I342 VanDerWaalsContact C-N 3.29Å; E340-I342 PolarHBondContact O-N 3.04Å; E340-V343 PolarHBondContact O-N 3.3Å; E340-I344 HydrophobicContact CB-CD1 4.45Å; E340-I344 VanDerWaalsContact O-CB 3.27Å; E340-I344 WeakPolarHBondContact O-CB 3.48Å; E340-I344 WeakPolarHBondContact O-CD1 3.47Å; E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 2.82Å
341	M	78.7	Confident	73.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-40.1	171.1	177.2	-178.9	54.5	0	0	110.7	V217 M220 L301 M305 S315 I318 I337 D338 N339 L345	V217-M341 HydrophobicContact CG1-CE 4.11Å; V217-M341 HydrophobicContact CG1-CG 4.39Å; V217-M341 HydrophobicContact CG1-SD 3.77Å; V217-M341 HydrophobicContact CG2-SD 4.17Å; M220-M341 HydrophobicContact CE-CE 3.92Å; L301-M341 HydrophobicContact CD2-CB 4.47Å; M305-M341 HydrophobicContact CE-CB 4.42Å; M305-M341 HydrophobicContact CE-CG 3.77Å; M305-M341 WeakPolarHBondContact CE-O 3.37Å; M305-M341 HydrophobicContact SD-CB 4.2Å; M305-M341 HydrophobicContact SD-CG 3.9Å; S315-M341 VanDerWaalsContact CB-SD 3.58Å; I318-M341 HydrophobicContact CD1-SD 4.03Å; I337-M341 WeakPolarHBondContact O-CB 3.25Å; I337-M341 PolarHBondContact O-N 3.07Å; D338-M341 HydrophobicContact CB-CE 4.23Å; N339-M341 VanDerWaalsContact C-N 3.3Å; N339-M341 PolarHBondContact O-N 2.76Å; M341-L345 HydrophobicContact CG-CD1 4.25Å; M341-L345 WeakPolarHBondContact O-CB 3.47Å; M341-L345 WeakPolarHBondContact O-CD1 3.26Å; M341-L345 WeakPolarHBondContact O-CG 3.39Å; M341-L345 PolarHBondContact O-N 2.87Å
342	I	69.2	Low	74.5	Confident	34 Å²	34	43.5 Å²	43.5	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-43.1	174.3	-70.2	169.9	0	0	0	111.4	L195 W221 L224 D338 N339 E340 L345 G346	L195-I342 HydrophobicContact CD1-CD1 3.61Å; W221-I342 HydrophobicContact CE3-CG2 4.19Å; W221-I342 HydrophobicContact CH2-CG2 4.07Å; W221-I342 HydrophobicContact CZ3-CG2 3.51Å; L224-I342 HydrophobicContact CD1-CD1 4.33Å; D338-I342 PolarHBondContact O-N 2.83Å; N339-I342 WeakPolarHBondContact O-CB 3.47Å; N339-I342 PolarHBondContact O-N 3.34Å; N339-I342 VanDerWaalsContact O-N 3.1Å; E340-I342 VanDerWaalsContact C-N 3.29Å; E340-I342 PolarHBondContact O-N 3.04Å; I342-L345 PolarHBondContact O-N 2.93Å; I342-G346 PolarHBondContact O-N 2.74Å
343	V	66.9	Low	75.4	Confident	24 Å²	24	39.1 Å²	39.1	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-43.3	176.5	173.1	0	0	0	0	111.4	N339 E340 G346 Q347 W364	N339-V343 PolarHBondContact O-N 2.79Å; E340-V343 PolarHBondContact O-N 3.3Å; V343-G346 PolarHBondContact O-N 3.23Å; V343-Q347 WeakPolarHBondContact O-CB 3.28Å; V343-Q347 VanDerWaalsContact O-CG 3.31Å; V343-Q347 WeakPolarHBondContact O-CG 3.26Å; V343-Q347 PolarHBondContact O-N 3.45Å; V343-W364 HydrophobicContact CG1-CZ3 4.31Å
344	I	73.2	Confident	76.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-41.8	177.8	-69.1	161.7	0	0	0	110.3	L301 R302 M305 E340 G346 Q347 M348	L301-I344 HydrophobicContact CB-CD1 4.03Å; L301-I344 HydrophobicContact CD2-CD1 3.8Å; L301-I344 HydrophobicContact CG-CD1 3.67Å; R302-I344 HydrophobicContact CB-CD1 4.07Å; R302-I344 HydrophobicContact CB-CG1 4.41Å; R302-I344 HydrophobicContact CB-CG2 4.35Å; R302-I344 HydrophobicContact CG-CG2 4.32Å; M305-I344 HydrophobicContact CB-CG2 4.23Å; M305-I344 HydrophobicContact CE-CB 3.88Å; M305-I344 HydrophobicContact CE-CG2 3.56Å; M305-I344 HydrophobicContact SD-CB 4.06Å; M305-I344 HydrophobicContact SD-CD1 4.34Å; M305-I344 HydrophobicContact SD-CG2 3.74Å; E340-I344 HydrophobicContact CB-CD1 4.45Å; E340-I344 VanDerWaalsContact O-CB 3.27Å; E340-I344 WeakPolarHBondContact O-CB 3.48Å; E340-I344 WeakPolarHBondContact O-CD1 3.47Å; E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 2.82Å; I344-G346 VanDerWaalsContact C-N 3.32Å; I344-G346 PolarHBondContact O-N 2.85Å; I344-Q347 CarbonylContact O-C 3.52Å; I344-Q347 PolarHBondContact O-N 3.09Å; I344-M348 HydrophobicContact CG2-CG 3.97Å; I344-M348 HydrophobicContact CG2-SD 3.91Å; I344-M348 WeakPolarHBondContact O-CB 3.39Å; I344-M348 VanDerWaalsContact O-CG 3.28Å; I344-M348 WeakPolarHBondContact O-CG 3.16Å; I344-M348 PolarHBondContact O-N 2.98Å
345	L	67.8	Low	77.1	Confident	51 Å²	51	35.1 Å²	35.1	27%	0.267	19%	0.189	S	C	.	.	H	α-helix	trans	-56.5	-44.8	172.1	-79.1	165.3	0	0	0	112.1	V217 M305 L310 M341 I342 Q347 M348	V217-L345 HydrophobicContact CG1-CD1 3.65Å; M305-L345 HydrophobicContact CE-CD2 4.15Å; M305-L345 HydrophobicContact CE-CG 3.72Å; L310-L345 HydrophobicContact CD1-CD2 3.75Å; M341-L345 HydrophobicContact CG-CD1 4.25Å; M341-L345 WeakPolarHBondContact O-CB 3.47Å; M341-L345 WeakPolarHBondContact O-CD1 3.26Å; M341-L345 WeakPolarHBondContact O-CG 3.39Å; M341-L345 PolarHBondContact O-N 2.87Å; I342-L345 PolarHBondContact O-N 2.93Å; L345-Q347 VanDerWaalsContact C-N 3.29Å; L345-Q347 PolarHBondContact O-N 3.3Å; L345-M348 PolarHBondContact O-N 2.97Å
346	G	59.9	Low	78	Confident	20 Å²	20	36 Å²	36	21%	0.206	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-36.3	174.6	0	0	0	0	0	113	I342 V343 I344 W364	I342-G346 PolarHBondContact O-N 2.74Å; V343-G346 PolarHBondContact O-N 3.23Å; I344-G346 VanDerWaalsContact C-N 3.32Å; I344-G346 PolarHBondContact O-N 2.85Å; G346-W364 WeakPolarHBondContact O-CB 3.38Å
347	Q	58.5	Low	78.7	Confident	21 Å²	21	34.7 Å²	34.7	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-86.9	-10.9	-179.3	-70.2	176.6	-17.9	0	0	115.2	V343 I344 L345 W364 S367	V343-Q347 WeakPolarHBondContact O-CB 3.28Å; V343-Q347 VanDerWaalsContact O-CG 3.31Å; V343-Q347 WeakPolarHBondContact O-CG 3.26Å; V343-Q347 PolarHBondContact O-N 3.45Å; I344-Q347 CarbonylContact O-C 3.52Å; I344-Q347 PolarHBondContact O-N 3.09Å; L345-Q347 VanDerWaalsContact C-N 3.29Å; L345-Q347 PolarHBondContact O-N 3.3Å; Q347-W364 HydrophobicContact CG-CB 3.94Å; Q347-W364 HydrophobicContact CG-CE3 3.98Å; Q347-S367 PolarHBondContact NE2-OG 3.46Å
348	M	59.8	Low	79.3	Confident	57 Å²	57	34.6 Å²	34.6	28%	0.281	19%	0.191	S	C	.	.			trans	-80.5	-15.8	-179.7	-88.1	-177.1	64.8	0	0	113.8	M305 M306 L310 I344 L345 S350	M305-M348 HydrophobicContact CB-SD 3.76Å; M305-M348 HydrophobicContact CE-SD 4.24Å; M305-M348 VanDerWaalsContact O-CE 3.27Å; M305-M348 WeakPolarHBondContact O-CE 3.46Å; M306-M348 HydrophobicContact CG-CE 4.11Å; M306-M348 HydrophobicContact CG-CG 4.19Å; M306-M348 HydrophobicContact CG-SD 4.18Å; L310-M348 HydrophobicContact CD1-CE 3.51Å; L310-M348 HydrophobicContact CD1-SD 3.81Å; I344-M348 HydrophobicContact CG2-CG 3.97Å; I344-M348 HydrophobicContact CG2-SD 3.91Å; I344-M348 WeakPolarHBondContact O-CB 3.39Å; I344-M348 VanDerWaalsContact O-CG 3.28Å; I344-M348 WeakPolarHBondContact O-CG 3.16Å; I344-M348 PolarHBondContact O-N 2.98Å; L345-M348 PolarHBondContact O-N 2.97Å; M348-S350 VanDerWaalsContact C-N 3.27Å; M348-S350 PolarHBondContact O-N 3.01Å
349	D	68.8	Low	80.3	Confident	81 Å²	81	35.3 Å²	35.3	43%	0.433	19%	0.194	S	C	.	.	S	Bend	trans	-74	79.1	174.1	-165.6	64.7	0	0	0	109.5	N365 R469	D349-N365 PolarHBondContact O-ND2 3.27Å; D349-N365 PolarHBondContact O-OD1 3.02Å; D349-R469 IonicContact OD2-CZ 3.33Å; D349-R469 IonicContact OD2-NH1 2.77Å; D349-R469 PolarHBondContact OD2-NH1 3.12Å; D349-R469 IonicContact OD2-NH2 3.24Å; D349-R469 PolarHBondContact OD2-NH2 3.4Å
350	S	75.1	Confident	81.4	Confident	72 Å²	72	32.9 Å²	32.9	50%	0.503	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-57.5	149.7	-168	65	0	0	0	0	113.7	M348 T352 E371	M348-S350 VanDerWaalsContact C-N 3.27Å; M348-S350 PolarHBondContact O-N 3.01Å; S350-T352 PolarHBondContact O-N 3.05Å; S350-E371 WeakPolarHBondContact CB-OE1 3.41Å
351	P	88.7	Confident	82	Confident	15 Å²	15	31.8 Å²	31.8	10%	0.097	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-69.2	124.8	-176.6	29	-30.9	0	0	0	108.5	E353 F359 N365 E371 L432	P351-E353 PolarHBondContact O-N 2.89Å; P351-F359 HydrophobicContact CB-CB 4.36Å; P351-F359 HydrophobicContact CB-CD1 4.07Å; P351-F359 HydrophobicContact CG-CD1 4.09Å; P351-F359 WeakPolarHBondContact O-CD1 3.36Å; P351-N365 HydrophobicContact CB-CB 3.95Å; P351-N365 WeakPolarHBondContact CD-ND2 3.46Å; P351-N365 HydrophobicContact CG-CB 4.32Å; P351-E371 WeakPolarHBondContact CD-OE1 3.45Å; P351-E371 HydrophobicContact CG-CG 4.25Å; P351-L432 HydrophobicContact CB-CD1 3.9Å
352	T	93.3	Very high	82.6	Confident	29 Å²	29	32 Å²	32	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.4	-172.4	-46.4	0	0	0	0	109.9	S350 I354 F359 L360 R468 R469	S350-T352 PolarHBondContact O-N 3.05Å; T352-I354 HydrophobicContact CG2-CD1 3.91Å; T352-I354 PolarHBondContact O-N 3.46Å; T352-F359 CarbonylContact O-C 3.56Å; T352-F359 WeakPolarHBondContact O-CA 3.1Å; T352-L360 PolarHBondContact N-O 2.91Å; T352-L360 PolarHBondContact O-N 3.27Å; T352-R468 HydrophobicContact CG2-CB 3.93Å; T352-R468 WeakPolarHBondContact CG2-O 3.49Å; T352-R469 HydrophobicContact CG2-CB 4.05Å; T352-R469 WeakPolarHBondContact OG1-CD 3.24Å; T352-R469 PolarHBondContact OG1-NH1 3.48Å
353	E	95.6	Very high	83.4	Confident	83 Å²	83	31.6 Å²	31.6	39%	0.388	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	113.8	169.1	-173.4	148.7	-141.7	0	0	109.3	P351 F355 D356 F359 K430	P351-E353 PolarHBondContact O-N 2.89Å; E353-F355 WeakPolarHBondContact CG-O 3.33Å; E353-D356 VanDerWaalsContact OE1-CA 3.32Å; E353-D356 WeakPolarHBondContact OE1-CA 3.41Å; E353-F359 HydrophobicContact CB-CD1 4.24Å; E353-F359 HydrophobicContact CB-CE1 3.73Å; E353-F359 HydrophobicContact CB-CE2 4.19Å; E353-F359 HydrophobicContact CB-CZ 3.69Å; E353-F359 HydrophobicContact CG-CE1 4.35Å; E353-F359 HydrophobicContact CG-CE2 3.92Å; E353-F359 HydrophobicContact CG-CZ 3.8Å; E353-F359 VanDerWaalsContact OE1-CE2 3.28Å; E353-F359 WeakPolarHBondContact OE1-CE2 3.5Å; E353-F359 WeakPolarHBondContact OE1-CZ 3.4Å; E353-K430 IonicContact OE1-NZ 3Å; E353-K430 PolarHBondContact OE1-NZ 3.43Å; E353-K430 IonicContact OE2-NZ 2.72Å
354	I	96.6	Very high	84.2	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-42.7	177.5	-55.8	-55.9	0	0	0	109.9	T352 V358 L360 V446 Y464 V465 R468 R469	T352-I354 HydrophobicContact CG2-CD1 3.91Å; T352-I354 PolarHBondContact O-N 3.46Å; I354-V358 PolarHBondContact N-O 2.85Å; I354-L360 HydrophobicContact CD1-CB 4.06Å; I354-L360 HydrophobicContact CD1-CD2 4.16Å; I354-L360 HydrophobicContact CG1-CB 3.56Å; I354-L360 HydrophobicContact CG1-CD2 4.24Å; I354-V446 HydrophobicContact CB-CG1 4.23Å; I354-V446 HydrophobicContact CG1-CG1 4.23Å; I354-V446 HydrophobicContact CG2-CG1 3.82Å; I354-Y464 HydrophobicContact CG2-CD1 4.27Å; I354-Y464 HydrophobicContact CG2-CE1 4.03Å; I354-Y464 WeakPolarHBondContact O-CE1 3.26Å; I354-Y464 PolarHBondContact O-OH 2.93Å; I354-V465 HydrophobicContact CD1-CG1 4.36Å; I354-V465 HydrophobicContact CG2-CG2 3.97Å; I354-R468 HydrophobicContact CD1-CB 3.73Å; I354-R469 HydrophobicContact CD1-CB 4.48Å
355	F	95.6	Very high	84.9	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.1	172.6	-55.4	-71.7	0	0	0	108.2	E353 H357 V358 Y449 A450 Y454 W456 Y464	E353-F355 WeakPolarHBondContact CG-O 3.33Å; F355-H357 PolarHBondContact O-N 3.4Å; F355-V358 HydrophobicContact CB-CB 4.2Å; F355-V358 HydrophobicContact CB-CG2 4.13Å; F355-V358 HydrophobicContact CD2-CB 4.04Å; F355-V358 HydrophobicContact CD2-CG2 3.95Å; F355-V358 PolarHBondContact N-O 3.06Å; F355-V358 CarbonylContact O-C 3.57Å; F355-V358 PolarHBondContact O-N 3.4Å; F355-V358 VanDerWaalsContact O-O 3.06Å; F355-Y449 HydrophobicContact CD2-CD1 4.32Å; F355-Y449 HydrophobicContact CD2-CE1 4.23Å; F355-Y449 HydrophobicContact CE2-CD1 4.13Å; F355-Y449 HydrophobicContact CE2-CE1 4.35Å; F355-A450 HydrophobicContact CE2-CB 4.01Å; F355-A450 HydrophobicContact CZ-CB 3.71Å; F355-Y454 AromaticContact CD1-CE2 3.79Å; F355-Y454 HydrophobicContact CD1-CE2 3.79Å; F355-Y454 AromaticContact CD1-CZ 3.71Å; F355-Y454 WeakPolarHBondContact CD1-OH 3.37Å; F355-Y454 HydrophobicContact CD2-CE2 4.28Å; F355-Y454 HydrophobicContact CE1-CD2 4Å; F355-Y454 AromaticContact CE1-CE2 3.42Å; F355-Y454 HydrophobicContact CE1-CE2 3.42Å; F355-Y454 VanDerWaalsContact CE1-CE2 3.42Å; F355-Y454 AromaticContact CE1-CZ 3.72Å; F355-Y454 AromaticContact CE2-CE2 3.97Å; F355-Y454 HydrophobicContact CE2-CE2 3.97Å; F355-Y454 HydrophobicContact CG-CE2 4.2Å; F355-Y454 AromaticContact CZ-CD2 3.94Å; F355-Y454 HydrophobicContact CZ-CD2 3.94Å; F355-Y454 AromaticContact CZ-CE2 3.54Å; F355-Y454 HydrophobicContact CZ-CE2 3.54Å; F355-W456 AromaticContact CE1-CH2 3.89Å; F355-W456 HydrophobicContact CE1-CH2 3.89Å; F355-W456 HydrophobicContact CE1-CZ3 4.12Å; F355-W456 HydrophobicContact CZ-CH2 4.24Å; F355-W456 AromaticContact CZ-CZ3 3.99Å; F355-W456 HydrophobicContact CZ-CZ3 3.99Å; F355-Y464 AromaticContact CD1-CE1 3.88Å; F355-Y464 HydrophobicContact CD1-CE1 3.88Å; F355-Y464 HydrophobicContact CE1-CD1 4.08Å; F355-Y464 AromaticContact CE1-CE1 3.28Å; F355-Y464 HydrophobicContact CE1-CE1 3.28Å; F355-Y464 AromaticContact CE1-CZ 3.67Å; F355-Y464 HydrophobicContact CZ-CD1 4.09Å; F355-Y464 AromaticContact CZ-CE1 3.69Å; F355-Y464 HydrophobicContact CZ-CE1 3.69Å
356	D	93.4	Very high	85.9	Confident	137 Å²	137	32.2 Å²	32.2	73%	0.733	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-24	-176.9	-43.3	1.2	0	0	0	114.7	E353 K430	E353-D356 VanDerWaalsContact OE1-CA 3.32Å; E353-D356 WeakPolarHBondContact OE1-CA 3.41Å; D356-K430 WeakPolarHBondContact O-CE 3.33Å; D356-K430 WeakPolarHBondContact O-CG 3.41Å; D356-K430 PolarHBondContact O-NZ 3.07Å
357	H	95.4	Very high	86.9	Confident	17 Å²	17	32.3 Å²	32.3	8%	0.079	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	3.5	179.6	65.3	-75.6	0	0	0	114.4	F355 K425 C431 Y449	F355-H357 PolarHBondContact O-N 3.4Å; H357-K425 HydrophobicContact CB-CB 4.39Å; H357-K425 HydrophobicContact CB-CG 4.34Å; H357-C431 PolarHBondContact O-N 2.76Å; H357-Y449 AromaticContact NE2-CE1 3.59Å; H357-Y449 AromaticContact NE2-CZ 3.53Å; H357-Y449 PolarHBondContact NE2-OH 3.1Å
358	V	97.7	Very high	88	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.8	-175.7	-165.6	0	0	0	0	112.4	I354 F355 I421 C431 V433 V446 Y449	I354-V358 PolarHBondContact N-O 2.85Å; F355-V358 HydrophobicContact CB-CB 4.2Å; F355-V358 HydrophobicContact CB-CG2 4.13Å; F355-V358 HydrophobicContact CD2-CB 4.04Å; F355-V358 HydrophobicContact CD2-CG2 3.95Å; F355-V358 PolarHBondContact N-O 3.06Å; F355-V358 CarbonylContact O-C 3.57Å; F355-V358 PolarHBondContact O-N 3.4Å; F355-V358 VanDerWaalsContact O-O 3.06Å; V358-I421 HydrophobicContact CG2-CG2 3.49Å; V358-I421 VanDerWaalsContact CG2-CG2 3.49Å; V358-C431 WeakPolarHBondContact CA-O 3.1Å; V358-V433 HydrophobicContact CG1-CG2 4Å; V358-V446 HydrophobicContact CG1-CG1 4.4Å; V358-V446 HydrophobicContact CG1-CG2 4.2Å; V358-Y449 HydrophobicContact CG2-CD1 4.31Å; V358-Y449 HydrophobicContact CG2-CE1 3.93Å
359	F	97.6	Very high	89	Confident	15 Å²	15	32.2 Å²	32.2	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145	172.4	-76.8	-108.4	0	0	0	110	P351 T352 E353 K430 C431 L432 V433	P351-F359 HydrophobicContact CB-CB 4.36Å; P351-F359 HydrophobicContact CB-CD1 4.07Å; P351-F359 HydrophobicContact CG-CD1 4.09Å; P351-F359 WeakPolarHBondContact O-CD1 3.36Å; T352-F359 CarbonylContact O-C 3.56Å; T352-F359 WeakPolarHBondContact O-CA 3.1Å; E353-F359 HydrophobicContact CB-CD1 4.24Å; E353-F359 HydrophobicContact CB-CE1 3.73Å; E353-F359 HydrophobicContact CB-CE2 4.19Å; E353-F359 HydrophobicContact CB-CZ 3.69Å; E353-F359 HydrophobicContact CG-CE1 4.35Å; E353-F359 HydrophobicContact CG-CE2 3.92Å; E353-F359 HydrophobicContact CG-CZ 3.8Å; E353-F359 VanDerWaalsContact OE1-CE2 3.28Å; E353-F359 WeakPolarHBondContact OE1-CE2 3.5Å; E353-F359 WeakPolarHBondContact OE1-CZ 3.4Å; F359-K430 HydrophobicContact CD2-CB 4.13Å; F359-K430 HydrophobicContact CD2-CD 4.5Å; F359-K430 HydrophobicContact CD2-CG 4.26Å; F359-K430 HydrophobicContact CE2-CB 4.12Å; F359-K430 HydrophobicContact CE2-CD 3.66Å; F359-K430 HydrophobicContact CE2-CG 3.81Å; F359-K430 HydrophobicContact CZ-CD 4.33Å; F359-C431 PolarHBondContact N-O 2.9Å; F359-L432 HydrophobicContact CB-CD1 3.87Å; F359-V433 PolarHBondContact O-N 2.92Å
360	L	96.9	Very high	89.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.3	177.6	174.2	60	0	0	0	109.7	T352 I354 V433 S442 A443 V446 V465 R469	T352-L360 PolarHBondContact N-O 2.91Å; T352-L360 PolarHBondContact O-N 3.27Å; I354-L360 HydrophobicContact CD1-CB 4.06Å; I354-L360 HydrophobicContact CD1-CD2 4.16Å; I354-L360 HydrophobicContact CG1-CB 3.56Å; I354-L360 HydrophobicContact CG1-CD2 4.24Å; L360-V433 WeakPolarHBondContact CA-O 3.27Å; L360-S442 VanDerWaalsContact CD1-OG 3.32Å; L360-S442 WeakPolarHBondContact CD1-OG 3.45Å; L360-A443 HydrophobicContact CD1-CB 4.39Å; L360-A443 HydrophobicContact CD2-CB 4.02Å; L360-V446 HydrophobicContact CD1-CG2 4.14Å; L360-V465 HydrophobicContact CD2-CG1 3.71Å; L360-R469 HydrophobicContact CD2-CB 4.29Å
361	G	93.8	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-178.2	-173.4	0	0	0	0	0	115.8	N365 V433 H434 G438	G361-N365 WeakPolarHBondContact CA-OD1 3.49Å; G361-V433 PolarHBondContact N-O 3.14Å; G361-V433 VanDerWaalsContact N-O 3.1Å; G361-H434 WeakPolarHBondContact O-CA 3.2Å; G361-H434 WeakPolarHBondContact O-CB 3.47Å; G361-G438 WeakPolarHBondContact O-CA 3.39Å
362	S	90	Very high	89.8	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.042	16%	0.16	C	C	.	.			trans	-94.2	-179.6	177.7	70.6	0	0	0	0	112.2	W364 N365 A366 C435 K436	S362-W364 PolarHBondContact O-N 2.87Å; S362-W364 PolarHBondContact OG-N 2.94Å; S362-N365 PolarHBondContact N-OD1 3.27Å; S362-N365 PolarHBondContact O-N 2.79Å; S362-N365 PolarHBondContact OG-N 3.43Å; S362-N365 PolarHBondContact OG-OD1 3.01Å; S362-N365 VanDerWaalsContact OG-OD1 3.13Å; S362-A366 PolarHBondContact O-N 3.1Å; S362-C435 CarbonylContact C-O 3.31Å; S362-C435 VanDerWaalsContact C-O 3.25Å; S362-K436 WeakPolarHBondContact CB-O 3.17Å
363	E	86.9	Confident	89.5	Confident	25 Å²	25	36.5 Å²	36.5	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-36.1	169.3	67.2	-164.5	155	0	0	112.4	A366 S367 I387 F390 C435 K436	E363-A366 PolarHBondContact O-N 3.16Å; E363-S367 PolarHBondContact O-N 3.13Å; E363-I387 HydrophobicContact CB-CD1 3.42Å; E363-I387 VanDerWaalsContact CB-CD1 3.42Å; E363-I387 HydrophobicContact CG-CD1 4.36Å; E363-I387 VanDerWaalsContact OE2-CD1 3.22Å; E363-I387 WeakPolarHBondContact OE2-CD1 3.44Å; E363-F390 WeakPolarHBondContact O-CE2 3.28Å; E363-C435 PolarHBondContact N-O 2.84Å; E363-K436 PolarHBondContact N-O 2.8Å; E363-K436 IonicContact OE1-NZ 2.66Å; E363-K436 PolarHBondContact OE1-NZ 2.91Å; E363-K436 IonicContact OE2-NZ 2.83Å; E363-K436 PolarHBondContact OE2-NZ 2.84Å
364	W	83.5	Confident	89.1	Confident	87 Å²	87	38.6 Å²	38.6	33%	0.33	19%	0.19	S	C	.	.	H	α-helix	trans	-69.1	-37.3	-177.6	-57.5	100.6	0	0	0	111.9	V343 G346 Q347 S362 A366 S367 N368	V343-W364 HydrophobicContact CG1-CZ3 4.31Å; G346-W364 WeakPolarHBondContact O-CB 3.38Å; Q347-W364 HydrophobicContact CG-CB 3.94Å; Q347-W364 HydrophobicContact CG-CE3 3.98Å; S362-W364 PolarHBondContact O-N 2.87Å; S362-W364 PolarHBondContact OG-N 2.94Å; W364-A366 VanDerWaalsContact C-N 3.35Å; W364-S367 WeakPolarHBondContact O-CB 3.1Å; W364-S367 PolarHBondContact O-N 3.23Å; W364-S367 VanDerWaalsContact O-N 3.13Å; W364-S367 PolarHBondContact O-OG 3.44Å; W364-N368 PolarHBondContact O-N 2.78Å
365	N	88.2	Confident	88.6	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-39	172.2	-52.6	121.5	0	0	0	111.9	D349 P351 G361 S362 S367 N368 L432	D349-N365 PolarHBondContact O-ND2 3.27Å; D349-N365 PolarHBondContact O-OD1 3.02Å; P351-N365 HydrophobicContact CB-CB 3.95Å; P351-N365 WeakPolarHBondContact CD-ND2 3.46Å; P351-N365 HydrophobicContact CG-CB 4.32Å; G361-N365 WeakPolarHBondContact CA-OD1 3.49Å; S362-N365 PolarHBondContact N-OD1 3.27Å; S362-N365 PolarHBondContact O-N 2.79Å; S362-N365 PolarHBondContact OG-N 3.43Å; S362-N365 PolarHBondContact OG-OD1 3.01Å; S362-N365 VanDerWaalsContact OG-OD1 3.13Å; N365-S367 PolarHBondContact O-N 3.4Å; N365-N368 PolarHBondContact O-N 3.14Å; N365-N368 VanDerWaalsContact O-N 3.14Å; N365-L432 HydrophobicContact CB-CD2 4.21Å
366	A	88.5	Confident	88.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-19.2	175.2	0	0	0	0	0	113	S362 E363 W364 F390 F391 L432 H434	S362-A366 PolarHBondContact O-N 3.1Å; E363-A366 PolarHBondContact O-N 3.16Å; W364-A366 VanDerWaalsContact C-N 3.35Å; A366-F390 VanDerWaalsContact C-CD2 3.43Å; A366-F390 HydrophobicContact CB-CD2 3.97Å; A366-F390 HydrophobicContact CB-CE2 3.98Å; A366-F390 VanDerWaalsContact O-CD2 3.23Å; A366-F390 WeakPolarHBondContact O-CD2 3.49Å; A366-F391 WeakPolarHBondContact O-CE2 3.13Å; A366-L432 HydrophobicContact CB-CD2 4.13Å; A366-H434 HydrophobicContact CB-CB 4.41Å
367	S	81.9	Confident	88.5	Confident	22 Å²	22	35 Å²	35	15%	0.154	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.7	172.7	82.9	0	0	0	0	114.3	Q347 E363 W364 N365 L369 F391	Q347-S367 PolarHBondContact NE2-OG 3.46Å; E363-S367 PolarHBondContact O-N 3.13Å; W364-S367 WeakPolarHBondContact O-CB 3.1Å; W364-S367 PolarHBondContact O-N 3.23Å; W364-S367 VanDerWaalsContact O-N 3.13Å; W364-S367 PolarHBondContact O-OG 3.44Å; N365-S367 PolarHBondContact O-N 3.4Å; S367-L369 PolarHBondContact O-N 3.13Å; S367-F391 WeakPolarHBondContact O-CE2 3.19Å; S367-F391 VanDerWaalsContact O-CZ 3.26Å; S367-F391 WeakPolarHBondContact O-CZ 3.24Å
368	N	80.1	Confident	88.5	Confident	22 Å²	22	41 Å²	41	12%	0.118	21%	0.205	C	C	.	.			trans	-95.4	85.3	-173	-167.1	-4.6	0	0	0	111.9	W364 N365 E370 E371 L372	W364-N368 PolarHBondContact O-N 2.78Å; N365-N368 PolarHBondContact O-N 3.14Å; N365-N368 VanDerWaalsContact O-N 3.14Å; N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact O-N 3.21Å; N368-E371 HydrophobicContact CB-CB 4.02Å; N368-E371 WeakPolarHBondContact ND2-CB 3.39Å; N368-E371 PolarHBondContact ND2-OE2 3.03Å; N368-E371 PolarHBondContact O-N 3.26Å; N368-E371 PolarHBondContact OD1-N 2.64Å; N368-L372 WeakPolarHBondContact O-CB 3.46Å; N368-L372 WeakPolarHBondContact O-CD1 3.43Å; N368-L372 VanDerWaalsContact O-CG 3.24Å; N368-L372 WeakPolarHBondContact O-CG 3.24Å; N368-L372 PolarHBondContact O-N 3.14Å
369	L	81.1	Confident	88.5	Confident	55 Å²	55	42 Å²	42	29%	0.288	21%	0.209	S	C	.	.	H	α-helix	trans	-54.7	-42.4	-176	-177.3	58.5	0	0	0	113.6	S367 Q373 F391 M394 F395	S367-L369 PolarHBondContact O-N 3.13Å; L369-Q373 HydrophobicContact CD1-CG 4.46Å; L369-Q373 WeakPolarHBondContact O-CG 3.39Å; L369-Q373 PolarHBondContact O-N 3.31Å; L369-Q373 VanDerWaalsContact O-N 3.08Å; L369-F391 HydrophobicContact CB-CD2 4.5Å; L369-F391 HydrophobicContact CB-CE1 4.03Å; L369-F391 HydrophobicContact CB-CE2 3.87Å; L369-F391 HydrophobicContact CB-CZ 3.62Å; L369-F391 HydrophobicContact CD1-CD1 4.19Å; L369-F391 HydrophobicContact CD1-CD2 4.12Å; L369-F391 HydrophobicContact CD1-CE1 4.41Å; L369-F391 HydrophobicContact CD1-CE2 4.33Å; L369-F391 HydrophobicContact CD1-CG 4.06Å; L369-F391 HydrophobicContact CD1-CZ 4.49Å; L369-F391 HydrophobicContact CD2-CE1 4.36Å; L369-M394 HydrophobicContact CD1-CE 3.57Å; L369-M394 HydrophobicContact CD1-SD 4.46Å; L369-M394 HydrophobicContact CD2-CE 3.89Å; L369-M394 HydrophobicContact CG-CE 4.42Å; L369-F395 HydrophobicContact CD1-CE2 3.67Å; L369-F395 HydrophobicContact CD1-CZ 3.85Å
370	E	79.5	Confident	88.5	Confident	123 Å²	123	41.2 Å²	41.2	58%	0.575	21%	0.205	S	C	*	.	H	α-helix	trans	-69.1	-47.4	-176.2	179.5	173.7	-171.1	0	0	111.2	N368 L372 Q373 N374	N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact O-N 3.21Å; E370-L372 PolarHBondContact O-N 3.02Å; E370-Q373 PolarHBondContact O-N 2.86Å; E370-N374 WeakPolarHBondContact CG-ND2 3.49Å; E370-N374 WeakPolarHBondContact O-CB 3.23Å; E370-N374 VanDerWaalsContact O-CG 3.22Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 3.37Å
371	E	83	Confident	88.5	Confident	46 Å²	46	41.2 Å²	41.2	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-39	176.1	-178.6	174.9	-134.1	0	0	112.2	S350 P351 N368 Q373 S375	S350-E371 WeakPolarHBondContact CB-OE1 3.41Å; P351-E371 WeakPolarHBondContact CD-OE1 3.45Å; P351-E371 HydrophobicContact CG-CG 4.25Å; N368-E371 HydrophobicContact CB-CB 4.02Å; N368-E371 WeakPolarHBondContact ND2-CB 3.39Å; N368-E371 PolarHBondContact ND2-OE2 3.03Å; N368-E371 PolarHBondContact O-N 3.26Å; N368-E371 PolarHBondContact OD1-N 2.64Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-Q373 PolarHBondContact O-N 3.36Å; E371-S375 WeakPolarHBondContact O-CB 3.29Å; E371-S375 PolarHBondContact O-N 3.13Å; E371-S375 PolarHBondContact O-OG 3.45Å
372	L	87.6	Confident	88.7	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-40.1	173.6	-73.8	166.5	0	0	0	112.4	N368 E370 S375 G376 V377 I380 F391 F395 L432	N368-L372 WeakPolarHBondContact O-CB 3.46Å; N368-L372 WeakPolarHBondContact O-CD1 3.43Å; N368-L372 VanDerWaalsContact O-CG 3.24Å; N368-L372 WeakPolarHBondContact O-CG 3.24Å; N368-L372 PolarHBondContact O-N 3.14Å; E370-L372 PolarHBondContact O-N 3.02Å; L372-S375 PolarHBondContact O-OG 2.86Å; L372-G376 PolarHBondContact O-N 2.92Å; L372-V377 HydrophobicContact CD2-CB 4.08Å; L372-V377 HydrophobicContact CD2-CG1 3.9Å; L372-V377 HydrophobicContact CD2-CG2 4.42Å; L372-V377 WeakPolarHBondContact O-CB 3.47Å; L372-V377 PolarHBondContact O-N 3.24Å; L372-I380 HydrophobicContact CD1-CD1 3.92Å; L372-I380 HydrophobicContact CD2-CD1 4.02Å; L372-F391 HydrophobicContact CD1-CD2 3.99Å; L372-F391 HydrophobicContact CD1-CE2 4.07Å; L372-F395 HydrophobicContact CB-CE1 3.75Å; L372-F395 HydrophobicContact CB-CZ 3.56Å; L372-F395 HydrophobicContact CD1-CE1 4.5Å; L372-F395 HydrophobicContact CD1-CE2 4.17Å; L372-F395 HydrophobicContact CD1-CZ 3.96Å; L372-F395 HydrophobicContact CG-CZ 4.35Å; L372-L432 HydrophobicContact CD2-CB 4.28Å; L372-L432 HydrophobicContact CD2-CD2 3.73Å
373	Q	86.9	Confident	89	Confident	113 Å²	113	41 Å²	41	53%	0.528	20%	0.203	S	C	.	.	H	α-helix	trans	-73.2	-47.3	177.4	-73	178	-1.5	0	0	111.7	L369 E370 E371 S375 G376 F395	L369-Q373 HydrophobicContact CD1-CG 4.46Å; L369-Q373 WeakPolarHBondContact O-CG 3.39Å; L369-Q373 PolarHBondContact O-N 3.31Å; L369-Q373 VanDerWaalsContact O-N 3.08Å; E370-Q373 PolarHBondContact O-N 2.86Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-Q373 PolarHBondContact O-N 3.36Å; Q373-S375 VanDerWaalsContact C-N 3.32Å; Q373-S375 PolarHBondContact O-N 3.24Å; Q373-G376 PolarHBondContact O-N 3.19Å; Q373-F395 HydrophobicContact CG-CZ 4.37Å
374	N	86.2	Confident	89.2	Confident	127 Å²	127	39.8 Å²	39.8	68%	0.679	20%	0.198	S	C	*	.	H	α-helix	trans	-65.5	-33.4	-179.1	-69.5	-15.6	0	0	0	112.5	E370 G376	E370-N374 WeakPolarHBondContact CG-ND2 3.49Å; E370-N374 WeakPolarHBondContact O-CB 3.23Å; E370-N374 VanDerWaalsContact O-CG 3.22Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 3.37Å; N374-G376 VanDerWaalsContact C-N 3.25Å; N374-G376 PolarHBondContact O-N 2.96Å
375	S	86.3	Confident	89.2	Confident	30 Å²	30	42.2 Å²	42.2	21%	0.21	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.3	172.1	60.3	0	0	0	0	114	E371 L372 Q373 V377 K430	E371-S375 WeakPolarHBondContact O-CB 3.29Å; E371-S375 PolarHBondContact O-N 3.13Å; E371-S375 PolarHBondContact O-OG 3.45Å; L372-S375 PolarHBondContact O-OG 2.86Å; Q373-S375 VanDerWaalsContact C-N 3.32Å; Q373-S375 PolarHBondContact O-N 3.24Å; S375-V377 VanDerWaalsContact C-N 3.32Å; S375-V377 PolarHBondContact O-N 3.41Å; S375-V377 WeakPolarHBondContact OG-CG2 3.47Å; S375-K430 WeakPolarHBondContact O-CD 3.46Å
376	G	91.1	Very high	88.9	Confident	37 Å²	37	46 Å²	46	38%	0.381	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	21.6	179.7	0	0	0	0	0	114.5	L372 Q373 N374 K430	L372-G376 PolarHBondContact O-N 2.92Å; Q373-G376 PolarHBondContact O-N 3.19Å; N374-G376 VanDerWaalsContact C-N 3.25Å; N374-G376 PolarHBondContact O-N 2.96Å; G376-K430 PolarHBondContact O-N 3.46Å
377	V	95.6	Very high	88.4	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.5	174.3	173.1	0	0	0	0	109.5	L372 S375 Y379 I380 F395 K430 L432	L372-V377 HydrophobicContact CD2-CB 4.08Å; L372-V377 HydrophobicContact CD2-CG1 3.9Å; L372-V377 HydrophobicContact CD2-CG2 4.42Å; L372-V377 WeakPolarHBondContact O-CB 3.47Å; L372-V377 PolarHBondContact O-N 3.24Å; S375-V377 VanDerWaalsContact C-N 3.32Å; S375-V377 PolarHBondContact O-N 3.41Å; S375-V377 WeakPolarHBondContact OG-CG2 3.47Å; V377-Y379 VanDerWaalsContact CG1-O 3.25Å; V377-Y379 WeakPolarHBondContact CG1-O 3.25Å; V377-I380 HydrophobicContact CG1-CG1 4.04Å; V377-F395 HydrophobicContact CG1-CD1 4.49Å; V377-F395 WeakPolarHBondContact O-CD1 3.35Å; V377-F395 VanDerWaalsContact O-CE1 3.29Å; V377-F395 WeakPolarHBondContact O-CE1 3.36Å; V377-K430 WeakPolarHBondContact CA-O 3.29Å; V377-K430 HydrophobicContact CG2-CB 3.96Å; V377-L432 HydrophobicContact CG1-CB 4.05Å
378	R	95.3	Very high	88.5	Confident	141 Å²	141	51 Å²	51	53%	0.532	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-9.8	171.7	-57.5	-164.9	-69.1	158.8	-4	113.7	E396 A427 A429 K430	R378-E396 PolarHBondContact O-N 2.59Å; R378-A427 PolarHBondContact NH2-O 3.48Å; R378-A429 HydrophobicContact CB-CB 4.07Å; R378-A429 HydrophobicContact CG-CB 4.3Å; R378-K430 PolarHBondContact N-O 2.77Å
379	Y	97.7	Very high	88.8	Confident	21 Å²	21	51.4 Å²	51.4	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.7	-177.2	-69.2	-101.1	0	0	0	109.4	V377 E396 F420 K423 A424 A427 A429 K430 C431 L432	V377-Y379 VanDerWaalsContact CG1-O 3.25Å; V377-Y379 WeakPolarHBondContact CG1-O 3.25Å; Y379-E396 CarbonylContact C-O 3.6Å; Y379-E396 VanDerWaalsContact CA-O 3.31Å; Y379-E396 WeakPolarHBondContact CA-O 3.38Å; Y379-E396 HydrophobicContact CD1-CB 3.92Å; Y379-E396 HydrophobicContact CD1-CG 4.41Å; Y379-E396 HydrophobicContact CE1-CB 4.05Å; Y379-E396 HydrophobicContact CE1-CG 4.33Å; Y379-E396 WeakPolarHBondContact CE1-OE1 3.48Å; Y379-F420 HydrophobicContact CD1-CD2 4.02Å; Y379-F420 HydrophobicContact CD1-CE1 4.43Å; Y379-F420 AromaticContact CD1-CE2 3.69Å; Y379-F420 HydrophobicContact CD1-CE2 3.69Å; Y379-F420 AromaticContact CD1-CZ 3.91Å; Y379-F420 HydrophobicContact CD1-CZ 3.91Å; Y379-F420 HydrophobicContact CE1-CE2 4.44Å; Y379-F420 HydrophobicContact CG-CZ 4.48Å; Y379-K423 HydrophobicContact CE1-CD 3.95Å; Y379-K423 HydrophobicContact CE1-CG 4.06Å; Y379-A424 HydrophobicContact CD1-CB 4.06Å; Y379-A424 HydrophobicContact CD2-CB 3.47Å; Y379-A424 VanDerWaalsContact CD2-CB 3.47Å; Y379-A424 HydrophobicContact CE2-CB 4.03Å; Y379-A424 HydrophobicContact CG-CB 3.5Å; Y379-A427 HydrophobicContact CE2-CB 4.01Å; Y379-A427 WeakPolarHBondContact OH-CB 3.41Å; Y379-A429 HydrophobicContact CD2-CB 3.83Å; Y379-A429 HydrophobicContact CE2-CB 3.76Å; Y379-K430 PolarHBondContact N-O 3.45Å; Y379-C431 CarbonylContact O-C 3.55Å; Y379-C431 VanDerWaalsContact O-CA 3.25Å; Y379-C431 WeakPolarHBondContact O-CA 3.43Å; Y379-L432 PolarHBondContact O-N 2.76Å
380	I	97.7	Very high	88.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.7	179.4	-57	178.1	0	0	0	109.9	L372 V377 F395 E396 Y397 H398 L432	L372-I380 HydrophobicContact CD1-CD1 3.92Å; L372-I380 HydrophobicContact CD2-CD1 4.02Å; V377-I380 HydrophobicContact CG1-CG1 4.04Å; I380-F395 HydrophobicContact CD1-CB 3.82Å; I380-F395 HydrophobicContact CD1-CD1 3.91Å; I380-F395 HydrophobicContact CD1-CD2 3.85Å; I380-F395 HydrophobicContact CD1-CE1 4.46Å; I380-F395 HydrophobicContact CD1-CE2 4.4Å; I380-F395 HydrophobicContact CD1-CG 3.58Å; I380-F395 HydrophobicContact CG1-CB 4.05Å; I380-F395 HydrophobicContact CG1-CD1 4.32Å; I380-F395 HydrophobicContact CG1-CG 4.19Å; I380-E396 PolarHBondContact N-O 3.24Å; I380-Y397 HydrophobicContact CB-CD1 3.71Å; I380-Y397 HydrophobicContact CB-CE1 3.59Å; I380-Y397 HydrophobicContact CB-CG 4.36Å; I380-Y397 HydrophobicContact CD1-CE1 4.04Å; I380-Y397 HydrophobicContact CD1-CE2 4.43Å; I380-Y397 HydrophobicContact CG1-CE1 4.37Å; I380-Y397 HydrophobicContact CG2-CD1 3.84Å; I380-Y397 HydrophobicContact CG2-CE1 3.49Å; I380-Y397 VanDerWaalsContact CG2-CE1 3.49Å; I380-Y397 VanDerWaalsContact O-CA 3.29Å; I380-Y397 WeakPolarHBondContact O-CA 3.16Å; I380-H398 PolarHBondContact O-N 3.33Å; I380-L432 WeakPolarHBondContact CA-O 3.08Å; I380-L432 HydrophobicContact CG1-CB 4.47Å
381	L	98.1	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	102.8	175.1	174.6	55.1	0	0	0	109.2	V383 H398 I400 T417 F420 I421 L432 V433 H434 T445	L381-V383 HydrophobicContact CD1-CG2 4.21Å; L381-V383 HydrophobicContact CD2-CG2 4.4Å; L381-V383 HydrophobicContact CG-CG2 3.85Å; L381-H398 WeakPolarHBondContact CA-O 3.07Å; L381-H398 HydrophobicContact CD1-CB 4.08Å; L381-I400 HydrophobicContact CD1-CG1 4.12Å; L381-T417 HydrophobicContact CD1-CG2 4.02Å; L381-T417 HydrophobicContact CD2-CG2 3.87Å; L381-F420 HydrophobicContact CB-CE1 4.01Å; L381-I421 HydrophobicContact CD2-CD1 4.25Å; L381-I421 HydrophobicContact CD2-CG1 4.38Å; L381-L432 PolarHBondContact N-O 3.42Å; L381-V433 HydrophobicContact CB-CB 4.48Å; L381-V433 HydrophobicContact CB-CG1 4.32Å; L381-V433 HydrophobicContact CB-CG2 4.23Å; L381-V433 HydrophobicContact CD2-CG1 3.8Å; L381-V433 HydrophobicContact CD2-CG2 4.07Å; L381-V433 HydrophobicContact CG-CG1 4.04Å; L381-H434 PolarHBondContact O-CD2 3.37Å; L381-H434 PolarHBondContact O-N 2.94Å; L381-T445 HydrophobicContact CD2-CG2 3.96Å
382	N	96.8	Very high	88.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.8	176.5	179.2	-2.1	0	0	0	109.6	T384 I387 N389 H398 N399 I400 H434	N382-T384 PolarHBondContact OD1-N 3.48Å; N382-T384 VanDerWaalsContact OD1-N 3.13Å; N382-T384 PolarHBondContact OD1-OG1 3.47Å; N382-I387 PolarHBondContact ND2-O 3.14Å; N382-N389 PolarHBondContact ND2-OD1 3.5Å; N382-H398 PolarHBondContact N-O 2.87Å; N382-N399 WeakPolarHBondContact O-CA 3.41Å; N382-I400 PolarHBondContact O-N 3.12Å; N382-H434 WeakPolarHBondContact CA-NE2 3.37Å; N382-H434 VanDerWaalsContact CB-NE2 3.35Å; N382-H434 WeakPolarHBondContact CB-NE2 3.46Å
383	V	96.3	Very high	88.2	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.			trans	-104.6	56	177.2	-161.5	0	0	0	0	109.9	L381 I400 V402 L410 V433 H434 C435 R441	L381-V383 HydrophobicContact CD1-CG2 4.21Å; L381-V383 HydrophobicContact CD2-CG2 4.4Å; L381-V383 HydrophobicContact CG-CG2 3.85Å; V383-I400 CarbonylContact C-O 3.44Å; V383-I400 HydrophobicContact CG1-CB 4.16Å; V383-I400 HydrophobicContact CG1-CG2 4.27Å; V383-V402 HydrophobicContact CG1-CG2 4.31Å; V383-L410 HydrophobicContact CG1-CD2 4Å; V383-V433 HydrophobicContact CG2-CG1 4.26Å; V383-H434 PolarHBondContact N-O 3.39Å; V383-C435 WeakPolarHBondContact O-CB 3.38Å; V383-R441 HydrophobicContact CB-CB 4.33Å; V383-R441 HydrophobicContact CG1-CB 3.89Å; V383-R441 WeakPolarHBondContact O-CD 3.48Å
384	T	91.3	Very high	87.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.			trans	-141.3	153.5	174.3	72.3	0	0	0	0	111.6	N382 E386 I387 I400 R401 V402 C435	N382-T384 PolarHBondContact OD1-N 3.48Å; N382-T384 VanDerWaalsContact OD1-N 3.13Å; N382-T384 PolarHBondContact OD1-OG1 3.47Å; T384-E386 WeakPolarHBondContact CB-OE2 3.4Å; T384-I387 HydrophobicContact CG2-CD1 3.75Å; T384-I387 HydrophobicContact CG2-CG1 3.94Å; T384-I387 VanDerWaalsContact OG1-CB 3.23Å; T384-I387 WeakPolarHBondContact OG1-CB 3.48Å; T384-I387 WeakPolarHBondContact OG1-CG1 3.42Å; T384-I387 PolarHBondContact OG1-N 2.97Å; T384-I387 PolarHBondContact OG1-O 2.92Å; T384-I400 PolarHBondContact N-O 3.42Å; T384-R401 WeakPolarHBondContact O-CA 3.26Å; T384-R401 WeakPolarHBondContact O-CD 3.43Å; T384-V402 CarbonylContact C-O 3.32Å; T384-V402 WeakPolarHBondContact CA-O 3.42Å; T384-C435 VanDerWaalsContact CG2-CA 3.41Å; T384-C435 HydrophobicContact CG2-CB 3.94Å
385	R	85.2	Confident	88.2	Confident	138 Å²	138	49.7 Å²	49.7	52%	0.521	27%	0.268	S	S	.	.	S	Bend	trans	-88.9	-38.6	168.1	-177.2	158.5	166.2	178.3	-2.3	111.4	R401 V402 Y403	R385-R401 HydrophobicContact CB-CB 4.48Å; R385-R401 HydrophobicContact CG-CB 4.49Å; R385-R401 PolarHBondContact O-NH1 2.93Å; R385-V402 PolarHBondContact N-O 3.16Å; R385-Y403 HydrophobicContact CB-CD1 3.8Å; R385-Y403 HydrophobicContact CB-CE1 3.68Å; R385-Y403 HydrophobicContact CB-CG 4.32Å; R385-Y403 HydrophobicContact CG-CD1 4.44Å; R385-Y403 HydrophobicContact CG-CE1 3.88Å; R385-Y403 HydrophobicContact CG-CE2 4.33Å; R385-Y403 PolarHBondContact NE-OH 3.03Å
386	E	81	Confident	88.6	Confident	81 Å²	81	52 Å²	52	38%	0.379	28%	0.275	S	S	.	.	S	Bend	trans	-81	-8.7	-169	68.8	-79.5	-164.8	0	0	115.4	T384 Y403 R441	T384-E386 WeakPolarHBondContact CB-OE2 3.4Å; E386-Y403 HydrophobicContact CB-CE1 4.22Å; E386-R441 VanDerWaalsContact CD-NH1 3.26Å; E386-R441 IonicContact OE1-CZ 3.42Å; E386-R441 VanDerWaalsContact OE1-CZ 3.24Å; E386-R441 IonicContact OE1-NH1 2.72Å; E386-R441 PolarHBondContact OE1-NH1 3.23Å; E386-R441 IonicContact OE1-NH2 2.88Å; E386-R441 PolarHBondContact OE1-NH2 3.28Å; E386-R441 IonicContact OE2-CZ 2.75Å; E386-R441 IonicContact OE2-NH1 3.33Å; E386-R441 PolarHBondContact OE2-NH1 3.1Å
387	I	77.9	Confident	88.8	Confident	15 Å²	15	52 Å²	52	8%	0.077	26%	0.264	C	S	.	.			trans	-120.5	127.6	-178	-37	-175.3	0	0	0	110	E363 N382 T384 F390 R401 K436	E363-I387 HydrophobicContact CB-CD1 3.42Å; E363-I387 VanDerWaalsContact CB-CD1 3.42Å; E363-I387 HydrophobicContact CG-CD1 4.36Å; E363-I387 VanDerWaalsContact OE2-CD1 3.22Å; E363-I387 WeakPolarHBondContact OE2-CD1 3.44Å; N382-I387 PolarHBondContact ND2-O 3.14Å; T384-I387 HydrophobicContact CG2-CD1 3.75Å; T384-I387 HydrophobicContact CG2-CG1 3.94Å; T384-I387 VanDerWaalsContact OG1-CB 3.23Å; T384-I387 WeakPolarHBondContact OG1-CB 3.48Å; T384-I387 WeakPolarHBondContact OG1-CG1 3.42Å; T384-I387 PolarHBondContact OG1-N 2.97Å; T384-I387 PolarHBondContact OG1-O 2.92Å; I387-F390 HydrophobicContact CG2-CE2 3.96Å; I387-F390 HydrophobicContact CG2-CZ 3.89Å; I387-R401 PolarHBondContact O-NH1 3.27Å; I387-K436 HydrophobicContact CD1-CB 4.05Å; I387-K436 HydrophobicContact CD1-CG 4.46Å
388	D	83.4	Confident	88.9	Confident	113 Å²	113	54.5 Å²	54.5	60%	0.604	28%	0.275	S	S	*	.			trans	-85.9	165.7	172.3	-78.2	-33.8	0	0	0	112.4	F390 R401	D388-F390 PolarHBondContact O-N 3.25Å; D388-R401 IonicContact OD1-CZ 3.98Å; D388-R401 IonicContact OD1-NH1 3.54Å; D388-R401 PolarHBondContact OD1-NH1 2.81Å; D388-R401 IonicContact OD1-NH2 2.73Å; D388-R401 PolarHBondContact OD1-NH2 2.83Å
389	N	86.9	Confident	88.8	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	27%	0.267	C	S	.	.			trans	-80.2	116.6	-173.7	-62.9	8.3	0	0	0	108.7	N382 F391 P392 Y397 N399	N382-N389 PolarHBondContact ND2-OD1 3.5Å; N389-F391 VanDerWaalsContact C-N 3.34Å; N389-F391 PolarHBondContact O-N 2.68Å; N389-P392 WeakPolarHBondContact O-CD 3.29Å; N389-Y397 HydrophobicContact CB-CD1 3.81Å; N389-Y397 HydrophobicContact CB-CD2 4.33Å; N389-Y397 HydrophobicContact CB-CE1 3.61Å; N389-Y397 HydrophobicContact CB-CE2 4.17Å; N389-Y397 HydrophobicContact CB-CG 4.16Å; N389-Y397 WeakPolarHBondContact ND2-CB 3.32Å; N389-Y397 WeakPolarHBondContact ND2-CD1 3.36Å; N389-N399 PolarHBondContact ND2-ND2 2.9Å; N389-N399 VanDerWaalsContact ND2-ND2 3.12Å; N389-N399 PolarHBondContact ND2-OD1 2.94Å; N389-N399 PolarHBondContact OD1-OD1 3.01Å
390	F	81.2	Confident	88.7	Confident	85 Å²	85	50.2 Å²	50.2	37%	0.373	26%	0.264	S	S	.	.	S	Bend	trans	-62.1	-35.1	-175.8	-62.3	-82.1	0	0	0	114	E363 A366 I387 D388 P392	E363-F390 WeakPolarHBondContact O-CE2 3.28Å; A366-F390 VanDerWaalsContact C-CD2 3.43Å; A366-F390 HydrophobicContact CB-CD2 3.97Å; A366-F390 HydrophobicContact CB-CE2 3.98Å; A366-F390 VanDerWaalsContact O-CD2 3.23Å; A366-F390 WeakPolarHBondContact O-CD2 3.49Å; I387-F390 HydrophobicContact CG2-CE2 3.96Å; I387-F390 HydrophobicContact CG2-CZ 3.89Å; D388-F390 PolarHBondContact O-N 3.25Å; F390-P392 VanDerWaalsContact C-CD 3.47Å; F390-P392 WeakPolarHBondContact O-CD 3.31Å
391	F	85.8	Confident	88.5	Confident	38 Å²	38	54.5 Å²	54.5	17%	0.167	28%	0.281	C	S	.	.	S	Bend	trans	-129.3	53.6	-167.9	-57.9	-53.6	0	0	0	114.2	A366 S367 L369 L372 N389 G393 M394 F395 Y397	A366-F391 WeakPolarHBondContact O-CE2 3.13Å; S367-F391 WeakPolarHBondContact O-CE2 3.19Å; S367-F391 VanDerWaalsContact O-CZ 3.26Å; S367-F391 WeakPolarHBondContact O-CZ 3.24Å; L369-F391 HydrophobicContact CB-CD2 4.5Å; L369-F391 HydrophobicContact CB-CE1 4.03Å; L369-F391 HydrophobicContact CB-CE2 3.87Å; L369-F391 HydrophobicContact CB-CZ 3.62Å; L369-F391 HydrophobicContact CD1-CD1 4.19Å; L369-F391 HydrophobicContact CD1-CD2 4.12Å; L369-F391 HydrophobicContact CD1-CE1 4.41Å; L369-F391 HydrophobicContact CD1-CE2 4.33Å; L369-F391 HydrophobicContact CD1-CG 4.06Å; L369-F391 HydrophobicContact CD1-CZ 4.49Å; L369-F391 HydrophobicContact CD2-CE1 4.36Å; L372-F391 HydrophobicContact CD1-CD2 3.99Å; L372-F391 HydrophobicContact CD1-CE2 4.07Å; N389-F391 VanDerWaalsContact C-N 3.34Å; N389-F391 PolarHBondContact O-N 2.68Å; F391-G393 PolarHBondContact O-N 3.19Å; F391-M394 HydrophobicContact CB-CB 4.43Å; F391-M394 HydrophobicContact CB-CE 3.71Å; F391-M394 HydrophobicContact CD1-CE 3.53Å; F391-M394 HydrophobicContact CE1-CE 4.48Å; F391-M394 HydrophobicContact CG-CE 3.84Å; F391-M394 PolarHBondContact O-N 3.34Å; F391-M394 VanDerWaalsContact O-N 3.14Å; F391-F395 HydrophobicContact CB-CD2 3.63Å; F391-F395 HydrophobicContact CB-CE2 3.68Å; F391-F395 HydrophobicContact CD2-CD2 4.45Å; F391-F395 AromaticContact CD2-CE2 3.9Å; F391-F395 HydrophobicContact CD2-CE2 3.9Å; F391-F395 HydrophobicContact CG-CD2 4.44Å; F391-F395 HydrophobicContact CG-CE2 4.04Å; F391-Y397 PolarHBondContact N-OH 3.4Å; F391-Y397 VanDerWaalsContact N-OH 3.12Å; F391-Y397 WeakPolarHBondContact O-CE2 3.32Å
392	P	76.1	Confident	88.1	Confident	98 Å²	98	55.3 Å²	55.3	64%	0.636	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-63.3	127.4	-173.4	29.1	-34.2	0	0	0	110.9	N389 F390	N389-P392 WeakPolarHBondContact O-CD 3.29Å; F390-P392 VanDerWaalsContact C-CD 3.47Å; F390-P392 WeakPolarHBondContact O-CD 3.31Å
393	G	75.8	Confident	87.8	Confident	82 Å²	82	59.5 Å²	59.5	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-11.5	-178.6	0	0	0	0	0	115.3	F391	F391-G393 PolarHBondContact O-N 3.19Å
394	M	80.7	Confident	87.5	Confident	111 Å²	111	62.1 Å²	62.1	55%	0.547	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-31.2	169.3	-62.7	-163.2	-67.4	0	0	112.5	L369 F391	L369-M394 HydrophobicContact CD1-CE 3.57Å; L369-M394 HydrophobicContact CD1-SD 4.46Å; L369-M394 HydrophobicContact CD2-CE 3.89Å; L369-M394 HydrophobicContact CG-CE 4.42Å; F391-M394 HydrophobicContact CB-CB 4.43Å; F391-M394 HydrophobicContact CB-CE 3.71Å; F391-M394 HydrophobicContact CD1-CE 3.53Å; F391-M394 HydrophobicContact CE1-CE 4.48Å; F391-M394 HydrophobicContact CG-CE 3.84Å; F391-M394 PolarHBondContact O-N 3.34Å; F391-M394 VanDerWaalsContact O-N 3.14Å
395	F	92.8	Very high	87.3	Confident	18 Å²	18	67 Å²	67	8%	0.079	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-121.1	154.4	173.9	-53.5	-94.1	0	0	0	110.1	L369 L372 Q373 V377 I380 F391 Y397	L369-F395 HydrophobicContact CD1-CE2 3.67Å; L369-F395 HydrophobicContact CD1-CZ 3.85Å; L372-F395 HydrophobicContact CB-CE1 3.75Å; L372-F395 HydrophobicContact CB-CZ 3.56Å; L372-F395 HydrophobicContact CD1-CE1 4.5Å; L372-F395 HydrophobicContact CD1-CE2 4.17Å; L372-F395 HydrophobicContact CD1-CZ 3.96Å; L372-F395 HydrophobicContact CG-CZ 4.35Å; Q373-F395 HydrophobicContact CG-CZ 4.37Å; V377-F395 HydrophobicContact CG1-CD1 4.49Å; V377-F395 WeakPolarHBondContact O-CD1 3.35Å; V377-F395 VanDerWaalsContact O-CE1 3.29Å; V377-F395 WeakPolarHBondContact O-CE1 3.36Å; I380-F395 HydrophobicContact CD1-CB 3.82Å; I380-F395 HydrophobicContact CD1-CD1 3.91Å; I380-F395 HydrophobicContact CD1-CD2 3.85Å; I380-F395 HydrophobicContact CD1-CE1 4.46Å; I380-F395 HydrophobicContact CD1-CE2 4.4Å; I380-F395 HydrophobicContact CD1-CG 3.58Å; I380-F395 HydrophobicContact CG1-CB 4.05Å; I380-F395 HydrophobicContact CG1-CD1 4.32Å; I380-F395 HydrophobicContact CG1-CG 4.19Å; F391-F395 HydrophobicContact CB-CD2 3.63Å; F391-F395 HydrophobicContact CB-CE2 3.68Å; F391-F395 HydrophobicContact CD2-CD2 4.45Å; F391-F395 AromaticContact CD2-CE2 3.9Å; F391-F395 HydrophobicContact CD2-CE2 3.9Å; F391-F395 HydrophobicContact CG-CD2 4.44Å; F391-F395 HydrophobicContact CG-CE2 4.04Å; F395-Y397 HydrophobicContact CB-CD2 4.28Å; F395-Y397 HydrophobicContact CB-CE2 3.93Å; F395-Y397 HydrophobicContact CD2-CE2 4.5Å; F395-Y397 WeakPolarHBondContact O-CD2 3.02Å
396	E	93.4	Very high	87.3	Confident	77 Å²	77	67 Å²	67	36%	0.36	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.1	167.8	-161.6	-175.2	116.5	0	0	109.2	R378 Y379 I380 F420 K423	R378-E396 PolarHBondContact O-N 2.59Å; Y379-E396 CarbonylContact C-O 3.6Å; Y379-E396 VanDerWaalsContact CA-O 3.31Å; Y379-E396 WeakPolarHBondContact CA-O 3.38Å; Y379-E396 HydrophobicContact CD1-CB 3.92Å; Y379-E396 HydrophobicContact CD1-CG 4.41Å; Y379-E396 HydrophobicContact CE1-CB 4.05Å; Y379-E396 HydrophobicContact CE1-CG 4.33Å; Y379-E396 WeakPolarHBondContact CE1-OE1 3.48Å; I380-E396 PolarHBondContact N-O 3.24Å; E396-F420 HydrophobicContact CB-CE2 4.43Å; E396-F420 HydrophobicContact CG-CE2 4.06Å; E396-F420 WeakPolarHBondContact O-CZ 3.36Å; E396-K423 IonicContact OE1-NZ 3.58Å; E396-K423 PolarHBondContact OE1-NZ 3.37Å; E396-K423 IonicContact OE2-NZ 2.68Å; E396-K423 PolarHBondContact OE2-NZ 3.37Å
397	Y	95.9	Very high	87.6	Confident	39 Å²	39	67.7 Å²	67.7	15%	0.153	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.1	-177.9	-80.3	-94	0	0	0	112.8	I380 N389 F391 F395	I380-Y397 HydrophobicContact CB-CD1 3.71Å; I380-Y397 HydrophobicContact CB-CE1 3.59Å; I380-Y397 HydrophobicContact CB-CG 4.36Å; I380-Y397 HydrophobicContact CD1-CE1 4.04Å; I380-Y397 HydrophobicContact CD1-CE2 4.43Å; I380-Y397 HydrophobicContact CG1-CE1 4.37Å; I380-Y397 HydrophobicContact CG2-CD1 3.84Å; I380-Y397 HydrophobicContact CG2-CE1 3.49Å; I380-Y397 VanDerWaalsContact CG2-CE1 3.49Å; I380-Y397 VanDerWaalsContact O-CA 3.29Å; I380-Y397 WeakPolarHBondContact O-CA 3.16Å; N389-Y397 HydrophobicContact CB-CD1 3.81Å; N389-Y397 HydrophobicContact CB-CD2 4.33Å; N389-Y397 HydrophobicContact CB-CE1 3.61Å; N389-Y397 HydrophobicContact CB-CE2 4.17Å; N389-Y397 HydrophobicContact CB-CG 4.16Å; N389-Y397 WeakPolarHBondContact ND2-CB 3.32Å; N389-Y397 WeakPolarHBondContact ND2-CD1 3.36Å; F391-Y397 PolarHBondContact N-OH 3.4Å; F391-Y397 VanDerWaalsContact N-OH 3.12Å; F391-Y397 WeakPolarHBondContact O-CE2 3.32Å; F395-Y397 HydrophobicContact CB-CD2 4.28Å; F395-Y397 HydrophobicContact CB-CE2 3.93Å; F395-Y397 HydrophobicContact CD2-CE2 4.5Å; F395-Y397 WeakPolarHBondContact O-CD2 3.02Å
398	H	96.7	Very high	88.2	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.269	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.3	162.1	-167.8	72.9	0	0	0	109.4	I380 L381 N382 F420	I380-H398 PolarHBondContact O-N 3.33Å; L381-H398 WeakPolarHBondContact CA-O 3.07Å; L381-H398 HydrophobicContact CD1-CB 4.08Å; N382-H398 PolarHBondContact N-O 2.87Å; H398-F420 HydrophobicContact CB-CD1 3.82Å; H398-F420 HydrophobicContact CB-CD2 3.8Å; H398-F420 HydrophobicContact CB-CE1 3.7Å; H398-F420 HydrophobicContact CB-CE2 3.66Å; H398-F420 HydrophobicContact CB-CG 3.88Å; H398-F420 HydrophobicContact CB-CZ 3.62Å
399	N	94.4	Very high	88.7	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.7	-166.2	-65.1	-7.5	0	0	0	110.9	N382 N389 R401	N382-N399 WeakPolarHBondContact O-CA 3.41Å; N389-N399 PolarHBondContact ND2-ND2 2.9Å; N389-N399 VanDerWaalsContact ND2-ND2 3.12Å; N389-N399 PolarHBondContact ND2-OD1 2.94Å; N389-N399 PolarHBondContact OD1-OD1 3.01Å; N399-R401 HydrophobicContact CB-CG 4.4Å
400	I	94.9	Very high	89	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.036	35%	0.345	C	S	.	.			trans	-103.1	91.9	172	-53.6	-55.8	0	0	0	107.7	L381 N382 V383 T384 V402 L410 Y413 T417	L381-I400 HydrophobicContact CD1-CG1 4.12Å; N382-I400 PolarHBondContact O-N 3.12Å; V383-I400 CarbonylContact C-O 3.44Å; V383-I400 HydrophobicContact CG1-CB 4.16Å; V383-I400 HydrophobicContact CG1-CG2 4.27Å; T384-I400 PolarHBondContact N-O 3.42Å; I400-V402 VanDerWaalsContact C-N 3.34Å; I400-V402 HydrophobicContact CG2-CG1 4.11Å; I400-V402 HydrophobicContact CG2-CG2 4.11Å; I400-V402 PolarHBondContact O-N 3.3Å; I400-L410 HydrophobicContact CG2-CD2 4.44Å; I400-Y413 HydrophobicContact CD1-CD1 3.88Å; I400-Y413 HydrophobicContact CD1-CG 4.04Å; I400-Y413 HydrophobicContact CG2-CD1 4.23Å; I400-Y413 HydrophobicContact CG2-CD2 3.57Å; I400-Y413 HydrophobicContact CG2-CE2 4.04Å; I400-Y413 HydrophobicContact CG2-CG 3.67Å; I400-T417 HydrophobicContact CD1-CG2 4.14Å; I400-T417 HydrophobicContact CG1-CG2 3.78Å
401	R	94.4	Very high	89.7	Confident	90 Å²	90	61.2 Å²	61.2	34%	0.34	33%	0.334	S	S	.	.			trans	-79.3	72	-168.9	-65.6	-54.5	-168.3	113.8	-2.3	113.6	T384 R385 I387 D388 N399	T384-R401 WeakPolarHBondContact O-CA 3.26Å; T384-R401 WeakPolarHBondContact O-CD 3.43Å; R385-R401 HydrophobicContact CB-CB 4.48Å; R385-R401 HydrophobicContact CG-CB 4.49Å; R385-R401 PolarHBondContact O-NH1 2.93Å; I387-R401 PolarHBondContact O-NH1 3.27Å; D388-R401 IonicContact OD1-CZ 3.98Å; D388-R401 IonicContact OD1-NH1 3.54Å; D388-R401 PolarHBondContact OD1-NH1 2.81Å; D388-R401 IonicContact OD1-NH2 2.73Å; D388-R401 PolarHBondContact OD1-NH2 2.83Å; N399-R401 HydrophobicContact CB-CG 4.4Å
402	V	90.1	Very high	90.1	Very high	16 Å²	16	65.6 Å²	65.6	10%	0.097	36%	0.355	C	S	.	.			trans	-127.3	153.6	-177.5	-57.7	0	0	0	0	114.6	V383 T384 R385 I400 T408 L410 Y413 R441	V383-V402 HydrophobicContact CG1-CG2 4.31Å; T384-V402 CarbonylContact C-O 3.32Å; T384-V402 WeakPolarHBondContact CA-O 3.42Å; R385-V402 PolarHBondContact N-O 3.16Å; I400-V402 VanDerWaalsContact C-N 3.34Å; I400-V402 HydrophobicContact CG2-CG1 4.11Å; I400-V402 HydrophobicContact CG2-CG2 4.11Å; I400-V402 PolarHBondContact O-N 3.3Å; V402-T408 HydrophobicContact CB-CG2 3.61Å; V402-T408 HydrophobicContact CG1-CG2 4.06Å; V402-T408 HydrophobicContact CG2-CG2 3.81Å; V402-L410 HydrophobicContact CG2-CD2 3.83Å; V402-Y413 HydrophobicContact CG1-CE2 3.96Å; V402-R441 PolarHBondContact O-NH1 2.8Å
403	Y	89.4	Confident	91	Very high	88 Å²	88	65 Å²	65	35%	0.345	34%	0.341	S	S	.	.			trans	-88.6	167.3	175.6	-63.1	-57	0	0	0	112.2	R385 E386 E405 T408 R441	R385-Y403 HydrophobicContact CB-CD1 3.8Å; R385-Y403 HydrophobicContact CB-CE1 3.68Å; R385-Y403 HydrophobicContact CB-CG 4.32Å; R385-Y403 HydrophobicContact CG-CD1 4.44Å; R385-Y403 HydrophobicContact CG-CE1 3.88Å; R385-Y403 HydrophobicContact CG-CE2 4.33Å; R385-Y403 PolarHBondContact NE-OH 3.03Å; E386-Y403 HydrophobicContact CB-CE1 4.22Å; Y403-E405 WeakPolarHBondContact CB-OE1 3.33Å; Y403-E405 PolarHBondContact O-N 3.2Å; Y403-E405 VanDerWaalsContact O-N 3.13Å; Y403-T408 PolarHBondContact O-OG1 2.83Å; Y403-T408 VanDerWaalsContact O-OG1 3.06Å; Y403-R441 WeakPolarHBondContact O-CD 2.93Å
404	D	89.3	Confident	92	Very high	55 Å²	55	61.3 Å²	61.3	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-87	40.7	-176.9	-133.1	-49.4	0	0	0	113.2	S440 R441 N475	D404-S440 WeakPolarHBondContact OD1-CB 3.31Å; D404-S440 PolarHBondContact OD1-OG 3.05Å; D404-R441 HydrophobicContact CB-CG 4.4Å; D404-R441 IonicContact OD2-CZ 2.6Å; D404-R441 IonicContact OD2-NE 2.64Å; D404-R441 PolarHBondContact OD2-NE 3.44Å; D404-R441 IonicContact OD2-NH2 2.9Å; D404-R441 PolarHBondContact OD2-NH2 2.91Å; D404-N475 PolarHBondContact O-ND2 3.27Å
405	E	87.7	Confident	92.7	Very high	104 Å²	104	59.8 Å²	59.8	49%	0.486	30%	0.295	S	S	.	.	S	Bend	trans	-106.1	150.8	-167.5	-68.3	170	-146.8	0	0	112.6	Y403 A407 T408	Y403-E405 WeakPolarHBondContact CB-OE1 3.33Å; Y403-E405 PolarHBondContact O-N 3.2Å; Y403-E405 VanDerWaalsContact O-N 3.13Å; E405-A407 PolarHBondContact O-N 3.04Å; E405-A407 VanDerWaalsContact O-N 3.11Å; E405-T408 VanDerWaalsContact O-CB 3.3Å; E405-T408 WeakPolarHBondContact O-CB 3.44Å; E405-T408 PolarHBondContact O-N 2.83Å
406	E	85.4	Confident	92.8	Very high	137 Å²	137	62.1 Å²	62.1	64%	0.64	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.9	179.5	-75.3	-176.7	-163.2	0	0	113.8	T408 N475 S477	E406-T408 VanDerWaalsContact C-N 3.31Å; E406-N475 WeakPolarHBondContact CG-OD1 3.35Å; E406-N475 PolarHBondContact N-ND2 3.31Å; E406-S477 VanDerWaalsContact O-CB 3.25Å; E406-S477 WeakPolarHBondContact O-CB 3.46Å; E406-S477 PolarHBondContact O-OG 2.85Å
407	A	86.4	Confident	93	Very high	95 Å²	95	58.6 Å²	58.6	79%	0.785	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.8	176.8	0	0	0	0	0	114.2	E405	E405-A407 PolarHBondContact O-N 3.04Å; E405-A407 VanDerWaalsContact O-N 3.11Å
408	T	92.1	Very high	93.1	Very high	19 Å²	19	59.3 Å²	59.3	12%	0.117	30%	0.295	C	S	.	.			trans	-77.8	129.5	179.6	-70	0	0	0	0	111	V402 Y403 E405 E406 L410 F478 Q481	V402-T408 HydrophobicContact CB-CG2 3.61Å; V402-T408 HydrophobicContact CG1-CG2 4.06Å; V402-T408 HydrophobicContact CG2-CG2 3.81Å; Y403-T408 PolarHBondContact O-OG1 2.83Å; Y403-T408 VanDerWaalsContact O-OG1 3.06Å; E405-T408 VanDerWaalsContact O-CB 3.3Å; E405-T408 WeakPolarHBondContact O-CB 3.44Å; E405-T408 PolarHBondContact O-N 2.83Å; E406-T408 VanDerWaalsContact C-N 3.31Å; T408-L410 HydrophobicContact CG2-CD2 4.46Å; T408-L410 HydrophobicContact CG2-CG 4.32Å; T408-F478 HydrophobicContact CG2-CE1 3.91Å; T408-F478 HydrophobicContact CG2-CZ 4.08Å; T408-F478 WeakPolarHBondContact O-CE1 3.33Å; T408-Q481 PolarHBondContact O-NE2 2.95Å
409	N	92.7	Very high	93.1	Very high	59 Å²	59	61.9 Å²	61.9	32%	0.316	31%	0.305	S	S	.	.			trans	-93.3	114.1	169.5	-162.8	1	0	0	0	110.6	L411 E412 Y413 Q481	N409-L411 WeakPolarHBondContact OD1-CB 3.37Å; N409-L411 PolarHBondContact OD1-N 2.91Å; N409-L411 VanDerWaalsContact OD1-N 3.07Å; N409-E412 PolarHBondContact ND2-OE1 3.35Å; N409-Y413 WeakPolarHBondContact O-CD2 3.38Å; N409-Y413 VanDerWaalsContact O-CE2 3.32Å; N409-Y413 WeakPolarHBondContact O-CE2 3.18Å; N409-Q481 PolarHBondContact OD1-OE1 2.94Å
410	L	94.8	Very high	93.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.292	C	S	.	.			trans	-95	-21.4	169.9	-74.9	-179.7	0	0	0	112.6	V383 I400 V402 T408 E412 Y413 W414 R441 F478	V383-L410 HydrophobicContact CG1-CD2 4Å; I400-L410 HydrophobicContact CG2-CD2 4.44Å; V402-L410 HydrophobicContact CG2-CD2 3.83Å; T408-L410 HydrophobicContact CG2-CD2 4.46Å; T408-L410 HydrophobicContact CG2-CG 4.32Å; L410-E412 VanDerWaalsContact C-N 3.29Å; L410-E412 PolarHBondContact O-N 2.83Å; L410-Y413 PolarHBondContact O-N 2.96Å; L410-W414 HydrophobicContact CB-CH2 4.39Å; L410-W414 HydrophobicContact CB-CZ2 3.55Å; L410-W414 HydrophobicContact CD1-CZ2 4.25Å; L410-W414 PolarHBondContact O-N 3.47Å; L410-R441 HydrophobicContact CD1-CG 4.47Å; L410-F478 HydrophobicContact CB-CD1 4.42Å; L410-F478 HydrophobicContact CD1-CD1 3.68Å; L410-F478 HydrophobicContact CD1-CD2 3.83Å; L410-F478 HydrophobicContact CD1-CE1 3.68Å; L410-F478 HydrophobicContact CD1-CE2 3.83Å; L410-F478 HydrophobicContact CD1-CG 3.79Å; L410-F478 HydrophobicContact CD1-CZ 3.77Å; L410-F478 HydrophobicContact CG-CD1 4Å; L410-F478 HydrophobicContact CG-CE1 3.75Å; L410-F478 HydrophobicContact CG-CZ 4.13Å
411	L	94.3	Very high	93.4	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.147	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.9	-175.7	-175.1	62.9	0	0	0	112.8	N409 Y413 W414 Q481 E484 Y485 I488	N409-L411 WeakPolarHBondContact OD1-CB 3.37Å; N409-L411 PolarHBondContact OD1-N 2.91Å; N409-L411 VanDerWaalsContact OD1-N 3.07Å; L411-Y413 VanDerWaalsContact C-N 3.28Å; L411-Y413 PolarHBondContact O-N 3Å; L411-W414 HydrophobicContact CB-CE3 4.48Å; L411-W414 HydrophobicContact CB-CZ3 4.4Å; L411-W414 HydrophobicContact CD1-CE3 3.78Å; L411-W414 HydrophobicContact CD1-CZ3 3.78Å; L411-W414 PolarHBondContact O-N 3.48Å; L411-Q481 HydrophobicContact CB-CB 4.44Å; L411-E484 HydrophobicContact CD2-CB 4.48Å; L411-E484 VanDerWaalsContact CD2-CD 3.48Å; L411-E484 HydrophobicContact CD2-CG 3.99Å; L411-Y485 HydrophobicContact CD1-CD2 3.58Å; L411-Y485 HydrophobicContact CD1-CG 4.05Å; L411-I488 HydrophobicContact CD1-CD1 4.23Å; L411-I488 HydrophobicContact CD2-CD1 4.19Å
412	E	94.9	Very high	93.5	Very high	131 Å²	131	55.6 Å²	55.6	61%	0.612	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-38.3	176.9	-72.6	172	-138.5	0	0	112.3	N409 L410	N409-E412 PolarHBondContact ND2-OE1 3.35Å; L410-E412 VanDerWaalsContact C-N 3.29Å; L410-E412 PolarHBondContact O-N 2.83Å
413	Y	95.9	Very high	93.8	Very high	86 Å²	86	59.1 Å²	59.1	34%	0.337	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.6	-174.1	-58.1	-63.7	0	0	0	113.7	I400 V402 N409 L410 L411 N415 D416 T417	I400-Y413 HydrophobicContact CD1-CD1 3.88Å; I400-Y413 HydrophobicContact CD1-CG 4.04Å; I400-Y413 HydrophobicContact CG2-CD1 4.23Å; I400-Y413 HydrophobicContact CG2-CD2 3.57Å; I400-Y413 HydrophobicContact CG2-CE2 4.04Å; I400-Y413 HydrophobicContact CG2-CG 3.67Å; V402-Y413 HydrophobicContact CG1-CE2 3.96Å; N409-Y413 WeakPolarHBondContact O-CD2 3.38Å; N409-Y413 VanDerWaalsContact O-CE2 3.32Å; N409-Y413 WeakPolarHBondContact O-CE2 3.18Å; L410-Y413 PolarHBondContact O-N 2.96Å; L411-Y413 VanDerWaalsContact C-N 3.28Å; L411-Y413 PolarHBondContact O-N 3Å; Y413-N415 PolarHBondContact O-N 2.99Å; Y413-D416 PolarHBondContact O-N 3.34Å; Y413-T417 PolarHBondContact O-N 3Å
414	W	96.2	Very high	94.1	Very high	3 Å²	3	55 Å²	55	1%	0.011	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-15	-176.9	-67.2	-24.6	0	0	0	115	L410 L411 T417 Y418 A448 Q481 L482 Y485	L410-W414 HydrophobicContact CB-CH2 4.39Å; L410-W414 HydrophobicContact CB-CZ2 3.55Å; L410-W414 HydrophobicContact CD1-CZ2 4.25Å; L410-W414 PolarHBondContact O-N 3.47Å; L411-W414 HydrophobicContact CB-CE3 4.48Å; L411-W414 HydrophobicContact CB-CZ3 4.4Å; L411-W414 HydrophobicContact CD1-CE3 3.78Å; L411-W414 HydrophobicContact CD1-CZ3 3.78Å; L411-W414 PolarHBondContact O-N 3.48Å; W414-T417 WeakPolarHBondContact CA-OG1 3.05Å; W414-Y418 VanDerWaalsContact O-CB 3.24Å; W414-Y418 WeakPolarHBondContact O-CB 3.48Å; W414-A448 HydrophobicContact CB-CB 4.11Å; W414-A448 HydrophobicContact CD2-CB 3.42Å; W414-A448 VanDerWaalsContact CD2-CB 3.42Å; W414-A448 HydrophobicContact CE3-CB 3.8Å; W414-A448 HydrophobicContact CG-CB 3.55Å; W414-A448 HydrophobicContact CZ2-CB 4.47Å; W414-A448 HydrophobicContact CZ3-CB 4.48Å; W414-Q481 HydrophobicContact CH2-CB 3.64Å; W414-Q481 HydrophobicContact CZ3-CB 4Å; W414-Q481 WeakPolarHBondContact CZ3-O 3.21Å; W414-L482 HydrophobicContact CE3-CD2 4.37Å; W414-L482 HydrophobicContact CH2-CB 4.4Å; W414-L482 HydrophobicContact CH2-CD2 3.55Å; W414-L482 HydrophobicContact CH2-CG 3.6Å; W414-L482 HydrophobicContact CZ2-CD2 3.93Å; W414-L482 HydrophobicContact CZ2-CG 4.19Å; W414-L482 HydrophobicContact CZ3-CD2 3.77Å; W414-L482 HydrophobicContact CZ3-CG 4.13Å; W414-Y485 HydrophobicContact CB-CE2 4.3Å; W414-Y485 HydrophobicContact CE3-CD1 4.15Å; W414-Y485 HydrophobicContact CE3-CD2 4.06Å; W414-Y485 AromaticContact CE3-CG 3.82Å; W414-Y485 HydrophobicContact CE3-CG 3.82Å; W414-Y485 HydrophobicContact CZ3-CG 4.23Å
415	N	94.3	Very high	94.4	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	28%	0.277	S	S	.	.	H	α-helix	trans	-74.7	-33.5	168.6	-162.9	31.5	0	0	0	112.8	Y413 K419 K452	Y413-N415 PolarHBondContact O-N 2.99Å; N415-K419 PolarHBondContact ND2-NZ 3.28Å; N415-K419 WeakPolarHBondContact O-CE 3.29Å; N415-K419 WeakPolarHBondContact O-CG 2.97Å; N415-K419 PolarHBondContact O-N 3.39Å; N415-K452 PolarHBondContact OD1-NZ 3.08Å
416	D	95.6	Very high	94.8	Very high	67 Å²	67	59 Å²	59	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-91.4	-37.3	-175.7	-70.8	-17.1	0	0	0	112.3	Y413 Y418 K419 F420	Y413-D416 PolarHBondContact O-N 3.34Å; D416-Y418 PolarHBondContact O-N 3.5Å; D416-K419 WeakPolarHBondContact O-CB 3.44Å; D416-K419 PolarHBondContact O-N 2.84Å; D416-K419 VanDerWaalsContact O-N 3.16Å; D416-K419 WeakPolarHBondContact OD1-CE 3.5Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.46Å; D416-F420 PolarHBondContact O-N 3.22Å
417	T	97.3	Very high	95.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-35.9	169.7	64	0	0	0	0	111.8	L381 I400 Y413 W414 F420 I421 T445	L381-T417 HydrophobicContact CD1-CG2 4.02Å; L381-T417 HydrophobicContact CD2-CG2 3.87Å; I400-T417 HydrophobicContact CD1-CG2 4.14Å; I400-T417 HydrophobicContact CG1-CG2 3.78Å; Y413-T417 PolarHBondContact O-N 3Å; W414-T417 WeakPolarHBondContact CA-OG1 3.05Å; T417-F420 CarbonylContact O-C 3.55Å; T417-F420 VanDerWaalsContact O-CA 3.26Å; T417-F420 WeakPolarHBondContact O-CA 3.33Å; T417-F420 PolarHBondContact O-N 3.25Å; T417-I421 WeakPolarHBondContact O-CG1 3.49Å; T417-I421 PolarHBondContact O-N 3Å; T417-T445 HydrophobicContact CG2-CG2 3.83Å; T417-T445 WeakPolarHBondContact OG1-CG2 3.38Å
418	Y	97.3	Very high	95.5	Very high	55 Å²	55	53.4 Å²	53.4	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-49	171.4	172.8	-92.1	0	0	0	112	W414 D416 F420 I421 T422 Y449 K452 E453	W414-Y418 VanDerWaalsContact O-CB 3.24Å; W414-Y418 WeakPolarHBondContact O-CB 3.48Å; D416-Y418 PolarHBondContact O-N 3.5Å; Y418-F420 PolarHBondContact O-N 3.41Å; Y418-I421 PolarHBondContact O-N 3.44Å; Y418-T422 WeakPolarHBondContact O-CB 3.46Å; Y418-T422 PolarHBondContact O-N 2.99Å; Y418-T422 PolarHBondContact O-OG1 3.41Å; Y418-T422 VanDerWaalsContact O-OG1 3.07Å; Y418-Y449 AromaticContact CD2-CD2 3.54Å; Y418-Y449 HydrophobicContact CD2-CD2 3.54Å; Y418-Y449 AromaticContact CD2-CE2 3.64Å; Y418-Y449 HydrophobicContact CD2-CE2 3.64Å; Y418-Y449 HydrophobicContact CE2-CD2 4.17Å; Y418-Y449 AromaticContact CE2-CE2 3.85Å; Y418-Y449 HydrophobicContact CE2-CE2 3.85Å; Y418-Y449 HydrophobicContact CG-CD2 4.41Å; Y418-K452 HydrophobicContact CD1-CD 3.77Å; Y418-K452 HydrophobicContact CD2-CB 4.09Å; Y418-K452 HydrophobicContact CD2-CD 3.35Å; Y418-K452 HydrophobicContact CD2-CG 4.17Å; Y418-K452 HydrophobicContact CE1-CD 4.03Å; Y418-K452 HydrophobicContact CE2-CB 4.18Å; Y418-K452 HydrophobicContact CE2-CD 3.64Å; Y418-K452 HydrophobicContact CE2-CG 4.13Å; Y418-K452 HydrophobicContact CG-CD 3.42Å; Y418-K452 VanDerWaalsContact CG-CD 3.42Å; Y418-E453 HydrophobicContact CE2-CB 4.06Å; Y418-E453 WeakPolarHBondContact CE2-OE2 3.49Å
419	K	97.4	Very high	95.6	Very high	111 Å²	111	52.8 Å²	52.8	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-57.3	-40.6	174.3	-65.6	163.2	-159.9	167.2	0	110.7	N415 D416 K423	N415-K419 PolarHBondContact ND2-NZ 3.28Å; N415-K419 WeakPolarHBondContact O-CE 3.29Å; N415-K419 WeakPolarHBondContact O-CG 2.97Å; N415-K419 PolarHBondContact O-N 3.39Å; D416-K419 WeakPolarHBondContact O-CB 3.44Å; D416-K419 PolarHBondContact O-N 2.84Å; D416-K419 VanDerWaalsContact O-N 3.16Å; D416-K419 WeakPolarHBondContact OD1-CE 3.5Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.46Å; K419-K423 VanDerWaalsContact O-CB 3.31Å; K419-K423 WeakPolarHBondContact O-CB 3.29Å; K419-K423 PolarHBondContact O-N 2.84Å
420	F	97.9	Very high	95.8	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.066	27%	0.267	C	S	.	.	H	α-helix	trans	-39.7	-74.8	164.3	167.7	-12.9	0	0	0	113.2	Y379 L381 E396 H398 D416 T417 Y418 T422 K423 A424	Y379-F420 HydrophobicContact CD1-CD2 4.02Å; Y379-F420 HydrophobicContact CD1-CE1 4.43Å; Y379-F420 AromaticContact CD1-CE2 3.69Å; Y379-F420 HydrophobicContact CD1-CE2 3.69Å; Y379-F420 AromaticContact CD1-CZ 3.91Å; Y379-F420 HydrophobicContact CD1-CZ 3.91Å; Y379-F420 HydrophobicContact CE1-CE2 4.44Å; Y379-F420 HydrophobicContact CG-CZ 4.48Å; L381-F420 HydrophobicContact CB-CE1 4.01Å; E396-F420 HydrophobicContact CB-CE2 4.43Å; E396-F420 HydrophobicContact CG-CE2 4.06Å; E396-F420 WeakPolarHBondContact O-CZ 3.36Å; H398-F420 HydrophobicContact CB-CD1 3.82Å; H398-F420 HydrophobicContact CB-CD2 3.8Å; H398-F420 HydrophobicContact CB-CE1 3.7Å; H398-F420 HydrophobicContact CB-CE2 3.66Å; H398-F420 HydrophobicContact CB-CG 3.88Å; H398-F420 HydrophobicContact CB-CZ 3.62Å; D416-F420 PolarHBondContact O-N 3.22Å; T417-F420 CarbonylContact O-C 3.55Å; T417-F420 VanDerWaalsContact O-CA 3.26Å; T417-F420 WeakPolarHBondContact O-CA 3.33Å; T417-F420 PolarHBondContact O-N 3.25Å; Y418-F420 PolarHBondContact O-N 3.41Å; F420-T422 PolarHBondContact O-N 2.93Å; F420-K423 WeakPolarHBondContact O-CB 3.18Å; F420-K423 PolarHBondContact O-N 3.45Å; F420-K423 VanDerWaalsContact O-N 3.08Å; F420-A424 PolarHBondContact O-N 3Å
421	I	97.5	Very high	95.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-40.9	-173.4	-62.3	161.3	0	0	0	111.3	V358 L381 T417 Y418 K423 A424 K425 V433 Y449	V358-I421 HydrophobicContact CG2-CG2 3.49Å; V358-I421 VanDerWaalsContact CG2-CG2 3.49Å; L381-I421 HydrophobicContact CD2-CD1 4.25Å; L381-I421 HydrophobicContact CD2-CG1 4.38Å; T417-I421 WeakPolarHBondContact O-CG1 3.49Å; T417-I421 PolarHBondContact O-N 3Å; Y418-I421 PolarHBondContact O-N 3.44Å; I421-K423 VanDerWaalsContact C-N 3.27Å; I421-K423 PolarHBondContact O-N 3.13Å; I421-A424 WeakPolarHBondContact O-CB 3.45Å; I421-A424 PolarHBondContact O-N 3.44Å; I421-K425 PolarHBondContact O-N 2.8Å; I421-V433 HydrophobicContact CD1-CG2 3.94Å; I421-V433 HydrophobicContact CG1-CG2 4.19Å; I421-Y449 HydrophobicContact CB-CD2 3.83Å; I421-Y449 HydrophobicContact CB-CE2 3.78Å; I421-Y449 HydrophobicContact CB-CG 4.45Å; I421-Y449 HydrophobicContact CD1-CD1 4.5Å; I421-Y449 HydrophobicContact CD1-CD2 3.81Å; I421-Y449 HydrophobicContact CD1-CG 3.8Å; I421-Y449 HydrophobicContact CG1-CD2 4.44Å; I421-Y449 HydrophobicContact CG2-CD1 4.18Å; I421-Y449 HydrophobicContact CG2-CD2 3.84Å; I421-Y449 HydrophobicContact CG2-CE1 3.86Å; I421-Y449 HydrophobicContact CG2-CE2 3.54Å; I421-Y449 HydrophobicContact CG2-CG 4.19Å
422	T	96.5	Very high	96.1	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-24.6	176.7	-53.9	0	0	0	0	112.4	Y418 F420 K426 E453	Y418-T422 WeakPolarHBondContact O-CB 3.46Å; Y418-T422 PolarHBondContact O-N 2.99Å; Y418-T422 PolarHBondContact O-OG1 3.41Å; Y418-T422 VanDerWaalsContact O-OG1 3.07Å; F420-T422 PolarHBondContact O-N 2.93Å; T422-K426 HydrophobicContact CG2-CD 4.32Å; T422-K426 WeakPolarHBondContact O-CB 3.49Å; T422-K426 VanDerWaalsContact O-CG 3.26Å; T422-K426 WeakPolarHBondContact O-CG 3.47Å; T422-K426 PolarHBondContact O-N 3.07Å; T422-K426 VanDerWaalsContact O-N 3.07Å; T422-E453 PolarHBondContact OG1-OE2 3.37Å; T422-E453 VanDerWaalsContact OG1-OE2 3.09Å
423	K	96.7	Very high	96.3	Very high	90 Å²	90	45 Å²	45	39%	0.391	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-45.9	169.4	-179	-175.7	168.7	-170.5	0	111	Y379 E396 K419 F420 I421 K425 K426 A427	Y379-K423 HydrophobicContact CE1-CD 3.95Å; Y379-K423 HydrophobicContact CE1-CG 4.06Å; E396-K423 IonicContact OE1-NZ 3.58Å; E396-K423 PolarHBondContact OE1-NZ 3.37Å; E396-K423 IonicContact OE2-NZ 2.68Å; E396-K423 PolarHBondContact OE2-NZ 3.37Å; K419-K423 VanDerWaalsContact O-CB 3.31Å; K419-K423 WeakPolarHBondContact O-CB 3.29Å; K419-K423 PolarHBondContact O-N 2.84Å; F420-K423 WeakPolarHBondContact O-CB 3.18Å; F420-K423 PolarHBondContact O-N 3.45Å; F420-K423 VanDerWaalsContact O-N 3.08Å; I421-K423 VanDerWaalsContact C-N 3.27Å; I421-K423 PolarHBondContact O-N 3.13Å; K423-K425 PolarHBondContact O-N 3.43Å; K423-K426 PolarHBondContact O-N 3.41Å; K423-A427 WeakPolarHBondContact O-CB 3.42Å; K423-A427 PolarHBondContact O-N 2.63Å
424	A	95.8	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-48.8	175.5	0	0	0	0	0	111.5	Y379 F420 I421 K426 A427 G428 A429 C431	Y379-A424 HydrophobicContact CD1-CB 4.06Å; Y379-A424 HydrophobicContact CD2-CB 3.47Å; Y379-A424 VanDerWaalsContact CD2-CB 3.47Å; Y379-A424 HydrophobicContact CE2-CB 4.03Å; Y379-A424 HydrophobicContact CG-CB 3.5Å; F420-A424 PolarHBondContact O-N 3Å; I421-A424 WeakPolarHBondContact O-CB 3.45Å; I421-A424 PolarHBondContact O-N 3.44Å; A424-K426 PolarHBondContact O-N 2.84Å; A424-A427 CarbonylContact O-C 3.51Å; A424-A427 WeakPolarHBondContact O-CA 3.44Å; A424-A427 PolarHBondContact O-N 2.89Å; A424-G428 PolarHBondContact O-N 3.25Å; A424-A429 CarbonylContact C-O 3.53Å; A424-A429 VanDerWaalsContact C-O 3.27Å; A424-A429 PolarHBondContact O-N 2.8Å; A424-A429 VanDerWaalsContact O-O 3.11Å; A424-C431 HydrophobicContact CB-CB 3.74Å
425	K	95.8	Very high	96.2	Very high	70 Å²	70	40.8 Å²	40.8	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-51.4	-50.5	173.8	-166.4	179.4	-169.1	171.4	0	112.3	H357 I421 K423 A427 G428 E453	H357-K425 HydrophobicContact CB-CB 4.39Å; H357-K425 HydrophobicContact CB-CG 4.34Å; I421-K425 PolarHBondContact O-N 2.8Å; K423-K425 PolarHBondContact O-N 3.43Å; K425-A427 VanDerWaalsContact C-N 3.27Å; K425-A427 PolarHBondContact O-N 3.44Å; K425-G428 PolarHBondContact O-N 2.85Å; K425-G428 VanDerWaalsContact O-N 3.16Å; K425-E453 IonicContact NZ-OE1 3.25Å; K425-E453 PolarHBondContact NZ-OE1 2.79Å
426	K	95.8	Very high	95.8	Very high	175 Å²	175	40.8 Å²	40.8	76%	0.761	21%	0.211	S	C	*	.	H	α-helix	trans	-67.1	-24.7	178.3	-75.2	174	178	-179	0	113.8	T422 K423 A424 G428	T422-K426 HydrophobicContact CG2-CD 4.32Å; T422-K426 WeakPolarHBondContact O-CB 3.49Å; T422-K426 VanDerWaalsContact O-CG 3.26Å; T422-K426 WeakPolarHBondContact O-CG 3.47Å; T422-K426 PolarHBondContact O-N 3.07Å; T422-K426 VanDerWaalsContact O-N 3.07Å; K423-K426 PolarHBondContact O-N 3.41Å; A424-K426 PolarHBondContact O-N 2.84Å; K426-G428 VanDerWaalsContact C-N 3.28Å
427	A	93.5	Very high	95.2	Very high	38 Å²	38	43 Å²	43	31%	0.314	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.6	175.2	0	0	0	0	0	113.4	R378 Y379 K423 A424 K425 A429	R378-A427 PolarHBondContact NH2-O 3.48Å; Y379-A427 HydrophobicContact CE2-CB 4.01Å; Y379-A427 WeakPolarHBondContact OH-CB 3.41Å; K423-A427 WeakPolarHBondContact O-CB 3.42Å; K423-A427 PolarHBondContact O-N 2.63Å; A424-A427 CarbonylContact O-C 3.51Å; A424-A427 WeakPolarHBondContact O-CA 3.44Å; A424-A427 PolarHBondContact O-N 2.89Å; K425-A427 VanDerWaalsContact C-N 3.27Å; K425-A427 PolarHBondContact O-N 3.44Å; A427-A429 HydrophobicContact CB-CB 4.47Å; A427-A429 PolarHBondContact O-N 2.98Å
428	G	93	Very high	94.8	Very high	75 Å²	75	42.9 Å²	42.9	77%	0.773	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	35.8	-176.9	0	0	0	0	0	112.5	A424 K425 K426	A424-G428 PolarHBondContact O-N 3.25Å; K425-G428 PolarHBondContact O-N 2.85Å; K425-G428 VanDerWaalsContact O-N 3.16Å; K426-G428 VanDerWaalsContact C-N 3.28Å
429	A	94.9	Very high	94.5	Very high	6 Å²	6	42 Å²	42	5%	0.05	22%	0.22	C	C	.	.			trans	-130.9	145.9	-172	0	0	0	0	0	111.6	R378 Y379 A424 A427	R378-A429 HydrophobicContact CB-CB 4.07Å; R378-A429 HydrophobicContact CG-CB 4.3Å; Y379-A429 HydrophobicContact CD2-CB 3.83Å; Y379-A429 HydrophobicContact CE2-CB 3.76Å; A424-A429 CarbonylContact C-O 3.53Å; A424-A429 VanDerWaalsContact C-O 3.27Å; A424-A429 PolarHBondContact O-N 2.8Å; A424-A429 VanDerWaalsContact O-O 3.11Å; A427-A429 HydrophobicContact CB-CB 4.47Å; A427-A429 PolarHBondContact O-N 2.98Å
430	K	96.8	Very high	94.3	Very high	55 Å²	55	37.2 Å²	37.2	24%	0.239	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	146.5	174.2	-74	151.8	-178.9	-99.6	0	110.9	E353 D356 F359 S375 G376 V377 R378 Y379	E353-K430 IonicContact OE1-NZ 3Å; E353-K430 PolarHBondContact OE1-NZ 3.43Å; E353-K430 IonicContact OE2-NZ 2.72Å; D356-K430 WeakPolarHBondContact O-CE 3.33Å; D356-K430 WeakPolarHBondContact O-CG 3.41Å; D356-K430 PolarHBondContact O-NZ 3.07Å; F359-K430 HydrophobicContact CD2-CB 4.13Å; F359-K430 HydrophobicContact CD2-CD 4.5Å; F359-K430 HydrophobicContact CD2-CG 4.26Å; F359-K430 HydrophobicContact CE2-CB 4.12Å; F359-K430 HydrophobicContact CE2-CD 3.66Å; F359-K430 HydrophobicContact CE2-CG 3.81Å; F359-K430 HydrophobicContact CZ-CD 4.33Å; S375-K430 WeakPolarHBondContact O-CD 3.46Å; G376-K430 PolarHBondContact O-N 3.46Å; V377-K430 WeakPolarHBondContact CA-O 3.29Å; V377-K430 HydrophobicContact CG2-CB 3.96Å; R378-K430 PolarHBondContact N-O 2.77Å; Y379-K430 PolarHBondContact N-O 3.45Å
431	C	97.8	Very high	94.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	177	-173.8	0	0	0	0	109.9	H357 V358 F359 Y379 A424	H357-C431 PolarHBondContact O-N 2.76Å; V358-C431 WeakPolarHBondContact CA-O 3.1Å; F359-C431 PolarHBondContact N-O 2.9Å; Y379-C431 CarbonylContact O-C 3.55Å; Y379-C431 VanDerWaalsContact O-CA 3.25Å; Y379-C431 WeakPolarHBondContact O-CA 3.43Å; A424-C431 HydrophobicContact CB-CB 3.74Å
432	L	97.8	Very high	94.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.3	165.7	177.1	63.4	0	0	0	109.3	P351 F359 N365 A366 L372 V377 Y379 I380 L381 H434	P351-L432 HydrophobicContact CB-CD1 3.9Å; F359-L432 HydrophobicContact CB-CD1 3.87Å; N365-L432 HydrophobicContact CB-CD2 4.21Å; A366-L432 HydrophobicContact CB-CD2 4.13Å; L372-L432 HydrophobicContact CD2-CB 4.28Å; L372-L432 HydrophobicContact CD2-CD2 3.73Å; V377-L432 HydrophobicContact CG1-CB 4.05Å; Y379-L432 PolarHBondContact O-N 2.76Å; I380-L432 WeakPolarHBondContact CA-O 3.08Å; I380-L432 HydrophobicContact CG1-CB 4.47Å; L381-L432 PolarHBondContact N-O 3.42Å; L432-H434 HydrophobicContact CD2-CB 4.38Å; L432-H434 HydrophobicContact CG-CB 4.29Å
433	V	98.2	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.8	168.7	-172.5	0	0	0	0	107.8	V358 F359 L360 G361 L381 V383 I421 T445 V446	V358-V433 HydrophobicContact CG1-CG2 4Å; F359-V433 PolarHBondContact O-N 2.92Å; L360-V433 WeakPolarHBondContact CA-O 3.27Å; G361-V433 PolarHBondContact N-O 3.14Å; G361-V433 VanDerWaalsContact N-O 3.1Å; L381-V433 HydrophobicContact CB-CB 4.48Å; L381-V433 HydrophobicContact CB-CG1 4.32Å; L381-V433 HydrophobicContact CB-CG2 4.23Å; L381-V433 HydrophobicContact CD2-CG1 3.8Å; L381-V433 HydrophobicContact CD2-CG2 4.07Å; L381-V433 HydrophobicContact CG-CG1 4.04Å; V383-V433 HydrophobicContact CG2-CG1 4.26Å; I421-V433 HydrophobicContact CD1-CG2 3.94Å; I421-V433 HydrophobicContact CG1-CG2 4.19Å; V433-T445 HydrophobicContact CG1-CG2 4.39Å; V433-V446 HydrophobicContact CB-CG2 3.77Å; V433-V446 HydrophobicContact CG1-CG2 3.91Å; V433-V446 HydrophobicContact CG2-CG2 3.95Å
434	H	96.4	Very high	94.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.2	-176.2	83	102.5	0	0	0	113.3	G361 A366 L381 N382 V383 L432 S442	G361-H434 WeakPolarHBondContact O-CA 3.2Å; G361-H434 WeakPolarHBondContact O-CB 3.47Å; A366-H434 HydrophobicContact CB-CB 4.41Å; L381-H434 PolarHBondContact O-CD2 3.37Å; L381-H434 PolarHBondContact O-N 2.94Å; N382-H434 WeakPolarHBondContact CA-NE2 3.37Å; N382-H434 VanDerWaalsContact CB-NE2 3.35Å; N382-H434 WeakPolarHBondContact CB-NE2 3.46Å; V383-H434 PolarHBondContact N-O 3.39Å; L432-H434 HydrophobicContact CD2-CB 4.38Å; L432-H434 HydrophobicContact CG-CB 4.29Å; H434-S442 VanDerWaalsContact C-CB 3.45Å
435	C	93.9	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.			trans	-131.9	-163.7	161.3	69.7	0	0	0	0	107.9	S362 E363 V383 T384 G438 R441 S442	S362-C435 CarbonylContact C-O 3.31Å; S362-C435 VanDerWaalsContact C-O 3.25Å; E363-C435 PolarHBondContact N-O 2.84Å; V383-C435 WeakPolarHBondContact O-CB 3.38Å; T384-C435 VanDerWaalsContact CG2-CA 3.41Å; T384-C435 HydrophobicContact CG2-CB 3.94Å; C435-G438 PolarHBondContact SG-N 2.82Å; C435-G438 VanDerWaalsContact SG-N 3.41Å; C435-R441 HydrophobicContact CB-CB 3.73Å; C435-S442 PolarHBondContact N-OG 3.26Å; C435-S442 PolarHBondContact SG-OG 2.81Å
436	K	85.3	Confident	94.5	Very high	80 Å²	80	28.4 Å²	28.4	35%	0.348	16%	0.16	S	C	.	.	S	Bend	trans	-57.6	-64.2	178.3	-178.6	152.2	-174.8	82.8	0	112.9	S362 E363 I387	S362-K436 WeakPolarHBondContact CB-O 3.17Å; E363-K436 PolarHBondContact N-O 2.8Å; E363-K436 IonicContact OE1-NZ 2.66Å; E363-K436 PolarHBondContact OE1-NZ 2.91Å; E363-K436 IonicContact OE2-NZ 2.83Å; E363-K436 PolarHBondContact OE2-NZ 2.84Å; I387-K436 HydrophobicContact CD1-CB 4.05Å; I387-K436 HydrophobicContact CD1-CG 4.46Å
437	M	83.6	Confident	94.6	Very high	112 Å²	112	20.1 Å²	20.1	55%	0.552	12%	0.124	S	C	*	.	S	Bend	trans	-92.6	-9.6	-176.2	-58.6	-52.8	-57.4	0	0	114.7	V439	M437-V439 VanDerWaalsContact C-N 3.29Å; M437-V439 HydrophobicContact CB-CB 4.12Å; M437-V439 HydrophobicContact CB-CG2 3.91Å; M437-V439 PolarHBondContact O-N 2.95Å
438	G	90	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	65.7	29.5	-170.9	0	0	0	0	0	114.1	G361 C435 R469	G361-G438 WeakPolarHBondContact O-CA 3.39Å; C435-G438 PolarHBondContact SG-N 2.82Å; C435-G438 VanDerWaalsContact SG-N 3.41Å; G438-R469 PolarHBondContact O-NE 3.05Å
439	V	89.6	Confident	95	Very high	38 Å²	38	14.9 Å²	14.9	23%	0.23	7%	0.073	C	C	.	.	S	Bend	trans	-116.9	-42.6	-170.6	165.6	0	0	0	0	113.5	M437 A443 V471 K473	M437-V439 VanDerWaalsContact C-N 3.29Å; M437-V439 HydrophobicContact CB-CB 4.12Å; M437-V439 HydrophobicContact CB-CG2 3.91Å; M437-V439 PolarHBondContact O-N 2.95Å; V439-A443 WeakPolarHBondContact O-CB 3.27Å; V439-V471 HydrophobicContact CG2-CB 4.12Å; V439-V471 HydrophobicContact CG2-CG2 4.02Å; V439-K473 HydrophobicContact CG1-CB 3.91Å; V439-K473 CarbonylContact O-C 3.43Å; V439-K473 VanDerWaalsContact O-C 3.31Å; V439-K473 PolarHBondContact O-N 2.91Å
440	S	93.6	Very high	95.1	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.063	7%	0.071	C	C	.	.	S	Bend	trans	-119.1	-81.3	-168.6	171.9	0	0	0	0	112.8	D404 S442 A443 S444 N475 F478	D404-S440 WeakPolarHBondContact OD1-CB 3.31Å; D404-S440 PolarHBondContact OD1-OG 3.05Å; S440-S442 PolarHBondContact O-N 2.87Å; S440-A443 PolarHBondContact O-N 3.14Å; S440-S444 WeakPolarHBondContact O-CB 3.19Å; S440-S444 PolarHBondContact O-N 3.31Å; S440-S444 PolarHBondContact O-OG 3.3Å; S440-N475 PolarHBondContact OG-N 3Å; S440-N475 VanDerWaalsContact OG-N 3.08Å; S440-F478 WeakPolarHBondContact OG-CD2 3.18Å; S440-F478 WeakPolarHBondContact OG-CE2 3.05Å
441	R	96.6	Very high	95.2	Very high	6 Å²	6	12 Å²	12	2%	0.023	6%	0.059	C	C	.	.	H	α-helix	trans	-51.2	-50.2	-176.9	-80.3	170.2	-71	176.1	-0.8	114.6	V383 E386 V402 Y403 D404 L410 C435 T445 F478	V383-R441 HydrophobicContact CB-CB 4.33Å; V383-R441 HydrophobicContact CG1-CB 3.89Å; V383-R441 WeakPolarHBondContact O-CD 3.48Å; E386-R441 VanDerWaalsContact CD-NH1 3.26Å; E386-R441 IonicContact OE1-CZ 3.42Å; E386-R441 VanDerWaalsContact OE1-CZ 3.24Å; E386-R441 IonicContact OE1-NH1 2.72Å; E386-R441 PolarHBondContact OE1-NH1 3.23Å; E386-R441 IonicContact OE1-NH2 2.88Å; E386-R441 PolarHBondContact OE1-NH2 3.28Å; E386-R441 IonicContact OE2-CZ 2.75Å; E386-R441 IonicContact OE2-NH1 3.33Å; E386-R441 PolarHBondContact OE2-NH1 3.1Å; V402-R441 PolarHBondContact O-NH1 2.8Å; Y403-R441 WeakPolarHBondContact O-CD 2.93Å; D404-R441 HydrophobicContact CB-CG 4.4Å; D404-R441 IonicContact OD2-CZ 2.6Å; D404-R441 IonicContact OD2-NE 2.64Å; D404-R441 PolarHBondContact OD2-NE 3.44Å; D404-R441 IonicContact OD2-NH2 2.9Å; D404-R441 PolarHBondContact OD2-NH2 2.91Å; L410-R441 HydrophobicContact CD1-CG 4.47Å; C435-R441 HydrophobicContact CB-CB 3.73Å; R441-T445 PolarHBondContact O-N 2.62Å; R441-T445 PolarHBondContact O-OG1 2.62Å; R441-F478 HydrophobicContact CG-CE2 3.67Å; R441-F478 HydrophobicContact CG-CZ 3.94Å
442	S	97	Very high	95.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.4	-42.6	179.7	52.9	0	0	0	0	112.5	L360 H434 C435 S440 S444 T445 V446	L360-S442 VanDerWaalsContact CD1-OG 3.32Å; L360-S442 WeakPolarHBondContact CD1-OG 3.45Å; H434-S442 VanDerWaalsContact C-CB 3.45Å; C435-S442 PolarHBondContact N-OG 3.26Å; C435-S442 PolarHBondContact SG-OG 2.81Å; S440-S442 PolarHBondContact O-N 2.87Å; S442-S444 PolarHBondContact O-N 3.21Å; S442-T445 WeakPolarHBondContact O-CB 3.41Å; S442-T445 PolarHBondContact O-N 2.65Å; S442-T445 VanDerWaalsContact O-N 3.13Å; S442-V446 WeakPolarHBondContact O-CG2 3.45Å; S442-V446 PolarHBondContact O-N 3.36Å
443	A	96.9	Very high	95	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-45.5	178.5	0	0	0	0	0	111.5	L360 V439 S440 T445 V446 I447 T472	L360-A443 HydrophobicContact CD1-CB 4.39Å; L360-A443 HydrophobicContact CD2-CB 4.02Å; V439-A443 WeakPolarHBondContact O-CB 3.27Å; S440-A443 PolarHBondContact O-N 3.14Å; A443-T445 PolarHBondContact O-N 2.75Å; A443-V446 PolarHBondContact O-N 2.79Å; A443-I447 WeakPolarHBondContact O-CD1 3.45Å; A443-I447 VanDerWaalsContact O-CG1 3.26Å; A443-I447 WeakPolarHBondContact O-CG1 3.45Å; A443-I447 PolarHBondContact O-N 3.23Å; A443-T472 HydrophobicContact CB-CG2 3.78Å
444	S	97.8	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.5	-40.6	173.9	-48.6	0	0	0	0	111.7	S440 S442 I447 A448 P474	S440-S444 WeakPolarHBondContact O-CB 3.19Å; S440-S444 PolarHBondContact O-N 3.31Å; S440-S444 PolarHBondContact O-OG 3.3Å; S442-S444 PolarHBondContact O-N 3.21Å; S444-I447 PolarHBondContact O-N 2.92Å; S444-A448 WeakPolarHBondContact O-CB 3.27Å; S444-A448 PolarHBondContact O-N 3.3Å; S444-P474 WeakPolarHBondContact OG-CB 3.35Å
445	T	98	Very high	94.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-34.2	178.3	-56.8	0	0	0	0	112.7	L381 T417 V433 R441 S442 A443 Y449	L381-T445 HydrophobicContact CD2-CG2 3.96Å; T417-T445 HydrophobicContact CG2-CG2 3.83Å; T417-T445 WeakPolarHBondContact OG1-CG2 3.38Å; V433-T445 HydrophobicContact CG1-CG2 4.39Å; R441-T445 PolarHBondContact O-N 2.62Å; R441-T445 PolarHBondContact O-OG1 2.62Å; S442-T445 WeakPolarHBondContact O-CB 3.41Å; S442-T445 PolarHBondContact O-N 2.65Å; S442-T445 VanDerWaalsContact O-N 3.13Å; A443-T445 PolarHBondContact O-N 2.75Å; T445-Y449 WeakPolarHBondContact O-CB 3.28Å; T445-Y449 PolarHBondContact O-N 2.85Å
446	V	97.9	Very high	94.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.7	-35.5	174.1	175.6	0	0	0	0	111.8	I354 V358 L360 V433 S442 A443 Y449 A450 V465	I354-V446 HydrophobicContact CB-CG1 4.23Å; I354-V446 HydrophobicContact CG1-CG1 4.23Å; I354-V446 HydrophobicContact CG2-CG1 3.82Å; V358-V446 HydrophobicContact CG1-CG1 4.4Å; V358-V446 HydrophobicContact CG1-CG2 4.2Å; L360-V446 HydrophobicContact CD1-CG2 4.14Å; V433-V446 HydrophobicContact CB-CG2 3.77Å; V433-V446 HydrophobicContact CG1-CG2 3.91Å; V433-V446 HydrophobicContact CG2-CG2 3.95Å; S442-V446 WeakPolarHBondContact O-CG2 3.45Å; S442-V446 PolarHBondContact O-N 3.36Å; A443-V446 PolarHBondContact O-N 2.79Å; V446-Y449 WeakPolarHBondContact O-CB 3.32Å; V446-Y449 PolarHBondContact O-N 3.25Å; V446-A450 WeakPolarHBondContact O-CB 3.48Å; V446-A450 PolarHBondContact O-N 3.41Å; V446-V465 HydrophobicContact CG1-CG2 4.12Å
447	I	98.1	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-48.8	173	-64.6	159.2	0	0	0	109.9	A443 S444 Y449 A450 M451 L458 A461 F462 V465 T472 P474 L482	A443-I447 WeakPolarHBondContact O-CD1 3.45Å; A443-I447 VanDerWaalsContact O-CG1 3.26Å; A443-I447 WeakPolarHBondContact O-CG1 3.45Å; A443-I447 PolarHBondContact O-N 3.23Å; S444-I447 PolarHBondContact O-N 2.92Å; I447-Y449 VanDerWaalsContact C-N 3.28Å; I447-Y449 PolarHBondContact O-N 3.05Å; I447-A450 WeakPolarHBondContact O-CB 3.45Å; I447-A450 PolarHBondContact O-N 2.86Å; I447-M451 HydrophobicContact CG2-CG 4.43Å; I447-M451 HydrophobicContact CG2-SD 3.89Å; I447-M451 VanDerWaalsContact O-CG 3.28Å; I447-M451 WeakPolarHBondContact O-CG 3.2Å; I447-M451 PolarHBondContact O-N 3.3Å; I447-L458 HydrophobicContact CG2-CD1 3.87Å; I447-A461 HydrophobicContact CG2-CB 3.94Å; I447-F462 HydrophobicContact CD1-CD2 3.88Å; I447-V465 HydrophobicContact CG1-CB 4.05Å; I447-V465 HydrophobicContact CG1-CG1 4.32Å; I447-V465 HydrophobicContact CG1-CG2 3.88Å; I447-T472 HydrophobicContact CD1-CG2 4.43Å; I447-P474 HydrophobicContact CD1-CG 4.01Å; I447-L482 HydrophobicContact CB-CD1 4.31Å; I447-L482 HydrophobicContact CB-CD2 4.44Å; I447-L482 HydrophobicContact CD1-CD1 4.49Å; I447-L482 HydrophobicContact CG2-CD1 3.99Å; I447-L482 HydrophobicContact CG2-CD2 4.15Å
448	A	97.8	Very high	95.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-58.5	-38	174	0	0	0	0	0	112.7	W414 S444 K452 L482 Y485	W414-A448 HydrophobicContact CB-CB 4.11Å; W414-A448 HydrophobicContact CD2-CB 3.42Å; W414-A448 VanDerWaalsContact CD2-CB 3.42Å; W414-A448 HydrophobicContact CE3-CB 3.8Å; W414-A448 HydrophobicContact CG-CB 3.55Å; W414-A448 HydrophobicContact CZ2-CB 4.47Å; W414-A448 HydrophobicContact CZ3-CB 4.48Å; S444-A448 WeakPolarHBondContact O-CB 3.27Å; S444-A448 PolarHBondContact O-N 3.3Å; A448-K452 WeakPolarHBondContact O-CB 3.49Å; A448-K452 PolarHBondContact O-N 2.92Å; A448-L482 HydrophobicContact CB-CD2 3.75Å; A448-Y485 HydrophobicContact CB-CD1 4.18Å; A448-Y485 HydrophobicContact CB-CE1 4.08Å
449	Y	98	Very high	96.1	Very high	2 Å²	2	25 Å²	25	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-47.7	172.2	175.8	-99.7	0	0	0	111.7	F355 H357 V358 Y418 I421 T445 V446 I447 K452 E453 Y454	F355-Y449 HydrophobicContact CD2-CD1 4.32Å; F355-Y449 HydrophobicContact CD2-CE1 4.23Å; F355-Y449 HydrophobicContact CE2-CD1 4.13Å; F355-Y449 HydrophobicContact CE2-CE1 4.35Å; H357-Y449 AromaticContact NE2-CE1 3.59Å; H357-Y449 AromaticContact NE2-CZ 3.53Å; H357-Y449 PolarHBondContact NE2-OH 3.1Å; V358-Y449 HydrophobicContact CG2-CD1 4.31Å; V358-Y449 HydrophobicContact CG2-CE1 3.93Å; Y418-Y449 AromaticContact CD2-CD2 3.54Å; Y418-Y449 HydrophobicContact CD2-CD2 3.54Å; Y418-Y449 AromaticContact CD2-CE2 3.64Å; Y418-Y449 HydrophobicContact CD2-CE2 3.64Å; Y418-Y449 HydrophobicContact CE2-CD2 4.17Å; Y418-Y449 AromaticContact CE2-CE2 3.85Å; Y418-Y449 HydrophobicContact CE2-CE2 3.85Å; Y418-Y449 HydrophobicContact CG-CD2 4.41Å; I421-Y449 HydrophobicContact CB-CD2 3.83Å; I421-Y449 HydrophobicContact CB-CE2 3.78Å; I421-Y449 HydrophobicContact CB-CG 4.45Å; I421-Y449 HydrophobicContact CD1-CD1 4.5Å; I421-Y449 HydrophobicContact CD1-CD2 3.81Å; I421-Y449 HydrophobicContact CD1-CG 3.8Å; I421-Y449 HydrophobicContact CG1-CD2 4.44Å; I421-Y449 HydrophobicContact CG2-CD1 4.18Å; I421-Y449 HydrophobicContact CG2-CD2 3.84Å; I421-Y449 HydrophobicContact CG2-CE1 3.86Å; I421-Y449 HydrophobicContact CG2-CE2 3.54Å; I421-Y449 HydrophobicContact CG2-CG 4.19Å; T445-Y449 WeakPolarHBondContact O-CB 3.28Å; T445-Y449 PolarHBondContact O-N 2.85Å; V446-Y449 WeakPolarHBondContact O-CB 3.32Å; V446-Y449 PolarHBondContact O-N 3.25Å; I447-Y449 VanDerWaalsContact C-N 3.28Å; I447-Y449 PolarHBondContact O-N 3.05Å; Y449-K452 PolarHBondContact O-N 2.9Å; Y449-E453 HydrophobicContact CE1-CB 4.12Å; Y449-E453 HydrophobicContact CE1-CG 4.31Å; Y449-E453 HydrophobicContact CE2-CB 4.09Å; Y449-E453 HydrophobicContact CE2-CG 4.44Å; Y449-E453 WeakPolarHBondContact CE2-OE2 3.49Å; Y449-E453 WeakPolarHBondContact O-CB 3.32Å; Y449-E453 PolarHBondContact O-N 3.44Å; Y449-E453 VanDerWaalsContact OH-CG 3.28Å; Y449-E453 WeakPolarHBondContact OH-CG 3.25Å; Y449-E453 PolarHBondContact OH-OE2 2.94Å; Y449-Y454 HydrophobicContact CE1-CE2 4.37Å
450	A	97.2	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-48.1	-179.4	0	0	0	0	0	112.5	F355 V446 I447 K452 E453 Y454 W456 A461	F355-A450 HydrophobicContact CE2-CB 4.01Å; F355-A450 HydrophobicContact CZ-CB 3.71Å; V446-A450 WeakPolarHBondContact O-CB 3.48Å; V446-A450 PolarHBondContact O-N 3.41Å; I447-A450 WeakPolarHBondContact O-CB 3.45Å; I447-A450 PolarHBondContact O-N 2.86Å; A450-K452 PolarHBondContact O-N 3.09Å; A450-E453 PolarHBondContact O-N 2.79Å; A450-Y454 PolarHBondContact O-N 2.77Å; A450-W456 HydrophobicContact CB-CE3 3.96Å; A450-W456 HydrophobicContact CB-CZ3 4.12Å; A450-A461 HydrophobicContact CB-CB 4.15Å
451	M	97.3	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-33.7	176.4	-64.8	163.6	73.2	0	0	112.7	I447 G455 W456 L458 A461 L482 Q486 L489	I447-M451 HydrophobicContact CG2-CG 4.43Å; I447-M451 HydrophobicContact CG2-SD 3.89Å; I447-M451 VanDerWaalsContact O-CG 3.28Å; I447-M451 WeakPolarHBondContact O-CG 3.2Å; I447-M451 PolarHBondContact O-N 3.3Å; M451-G455 CarbonylContact O-C 3.56Å; M451-G455 VanDerWaalsContact O-C 3.32Å; M451-G455 WeakPolarHBondContact O-CA 3.27Å; M451-G455 PolarHBondContact O-N 3.44Å; M451-W456 WeakPolarHBondContact CA-O 3.43Å; M451-W456 PolarHBondContact O-N 2.78Å; M451-L458 HydrophobicContact CE-CB 4Å; M451-L458 HydrophobicContact CE-CD1 4.43Å; M451-L458 HydrophobicContact SD-CD1 4.04Å; M451-A461 HydrophobicContact CG-CB 3.53Å; M451-L482 HydrophobicContact SD-CD2 3.97Å; M451-Q486 HydrophobicContact CE-CB 3.6Å; M451-Q486 HydrophobicContact CE-CG 4.06Å; M451-L489 HydrophobicContact CB-CD1 4.03Å
452	K	95.6	Very high	96.7	Very high	49 Å²	49	27.7 Å²	27.7	21%	0.213	14%	0.14	C	C	.	.	H	α-helix	trans	-86.9	-45.1	-178	-158.9	-163.5	-151.6	176.8	0	113.7	N415 Y418 A448 Y449 A450 Y485 L489	N415-K452 PolarHBondContact OD1-NZ 3.08Å; Y418-K452 HydrophobicContact CD1-CD 3.77Å; Y418-K452 HydrophobicContact CD2-CB 4.09Å; Y418-K452 HydrophobicContact CD2-CD 3.35Å; Y418-K452 HydrophobicContact CD2-CG 4.17Å; Y418-K452 HydrophobicContact CE1-CD 4.03Å; Y418-K452 HydrophobicContact CE2-CB 4.18Å; Y418-K452 HydrophobicContact CE2-CD 3.64Å; Y418-K452 HydrophobicContact CE2-CG 4.13Å; Y418-K452 HydrophobicContact CG-CD 3.42Å; Y418-K452 VanDerWaalsContact CG-CD 3.42Å; A448-K452 WeakPolarHBondContact O-CB 3.49Å; A448-K452 PolarHBondContact O-N 2.92Å; Y449-K452 PolarHBondContact O-N 2.9Å; A450-K452 PolarHBondContact O-N 3.09Å; K452-Y485 HydrophobicContact CB-CE1 4.36Å; K452-Y485 WeakPolarHBondContact CD-OH 3.24Å; K452-Y485 VanDerWaalsContact CE-OH 3.27Å; K452-Y485 WeakPolarHBondContact CE-OH 3.03Å; K452-L489 HydrophobicContact CB-CD1 4.27Å; K452-L489 HydrophobicContact CG-CD2 3.89Å
453	E	95.4	Very high	96.7	Very high	53 Å²	53	32.4 Å²	32.4	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-73.9	-46.7	-177	-176.6	88.1	-161.2	0	0	111.4	Y418 T422 K425 Y449 A450	Y418-E453 HydrophobicContact CE2-CB 4.06Å; Y418-E453 WeakPolarHBondContact CE2-OE2 3.49Å; T422-E453 PolarHBondContact OG1-OE2 3.37Å; T422-E453 VanDerWaalsContact OG1-OE2 3.09Å; K425-E453 IonicContact NZ-OE1 3.25Å; K425-E453 PolarHBondContact NZ-OE1 2.79Å; Y449-E453 HydrophobicContact CE1-CB 4.12Å; Y449-E453 HydrophobicContact CE1-CG 4.31Å; Y449-E453 HydrophobicContact CE2-CB 4.09Å; Y449-E453 HydrophobicContact CE2-CG 4.44Å; Y449-E453 WeakPolarHBondContact CE2-OE2 3.49Å; Y449-E453 WeakPolarHBondContact O-CB 3.32Å; Y449-E453 PolarHBondContact O-N 3.44Å; Y449-E453 VanDerWaalsContact OH-CG 3.28Å; Y449-E453 WeakPolarHBondContact OH-CG 3.25Å; Y449-E453 PolarHBondContact OH-OE2 2.94Å; A450-E453 PolarHBondContact O-N 2.79Å
454	Y	94.3	Very high	96.7	Very high	90 Å²	90	35.3 Å²	35.3	35%	0.353	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-5.9	-178	-57	-88.7	0	0	0	112.6	F355 Y449 A450 W456	F355-Y454 AromaticContact CD1-CE2 3.79Å; F355-Y454 HydrophobicContact CD1-CE2 3.79Å; F355-Y454 AromaticContact CD1-CZ 3.71Å; F355-Y454 WeakPolarHBondContact CD1-OH 3.37Å; F355-Y454 HydrophobicContact CD2-CE2 4.28Å; F355-Y454 HydrophobicContact CE1-CD2 4Å; F355-Y454 AromaticContact CE1-CE2 3.42Å; F355-Y454 HydrophobicContact CE1-CE2 3.42Å; F355-Y454 VanDerWaalsContact CE1-CE2 3.42Å; F355-Y454 AromaticContact CE1-CZ 3.72Å; F355-Y454 AromaticContact CE2-CE2 3.97Å; F355-Y454 HydrophobicContact CE2-CE2 3.97Å; F355-Y454 HydrophobicContact CG-CE2 4.2Å; F355-Y454 AromaticContact CZ-CD2 3.94Å; F355-Y454 HydrophobicContact CZ-CD2 3.94Å; F355-Y454 AromaticContact CZ-CE2 3.54Å; F355-Y454 HydrophobicContact CZ-CE2 3.54Å; Y449-Y454 HydrophobicContact CE1-CE2 4.37Å; A450-Y454 PolarHBondContact O-N 2.77Å; Y454-W456 VanDerWaalsContact C-N 3.26Å; Y454-W456 HydrophobicContact CD1-CZ2 4.38Å; Y454-W456 HydrophobicContact CG-CH2 4.49Å; Y454-W456 HydrophobicContact CG-CZ2 4.11Å; Y454-W456 PolarHBondContact O-N 3.12Å
455	G	93.1	Very high	96.6	Very high	28 Å²	28	35.3 Å²	35.3	29%	0.289	18%	0.177	S	C	.	.			trans	76.1	7.9	175.8	0	0	0	0	0	115.1	M451 K493	M451-G455 CarbonylContact O-C 3.56Å; M451-G455 VanDerWaalsContact O-C 3.32Å; M451-G455 WeakPolarHBondContact O-CA 3.27Å; M451-G455 PolarHBondContact O-N 3.44Å; G455-K493 PolarHBondContact O-NZ 3.27Å
456	W	96.4	Very high	96.3	Very high	68 Å²	68	38.6 Å²	38.6	26%	0.258	19%	0.191	S	C	.	.			trans	-62.3	155.7	-176.9	-60.3	-19.3	0	0	0	113.7	F355 A450 M451 Y454 T460 A461 Y464	F355-W456 AromaticContact CE1-CH2 3.89Å; F355-W456 HydrophobicContact CE1-CH2 3.89Å; F355-W456 HydrophobicContact CE1-CZ3 4.12Å; F355-W456 HydrophobicContact CZ-CH2 4.24Å; F355-W456 AromaticContact CZ-CZ3 3.99Å; F355-W456 HydrophobicContact CZ-CZ3 3.99Å; A450-W456 HydrophobicContact CB-CE3 3.96Å; A450-W456 HydrophobicContact CB-CZ3 4.12Å; M451-W456 WeakPolarHBondContact CA-O 3.43Å; M451-W456 PolarHBondContact O-N 2.78Å; Y454-W456 VanDerWaalsContact C-N 3.26Å; Y454-W456 HydrophobicContact CD1-CZ2 4.38Å; Y454-W456 HydrophobicContact CG-CH2 4.49Å; Y454-W456 HydrophobicContact CG-CZ2 4.11Å; Y454-W456 PolarHBondContact O-N 3.12Å; W456-T460 HydrophobicContact CB-CG2 4.48Å; W456-T460 HydrophobicContact CD2-CG2 4.3Å; W456-T460 HydrophobicContact CG-CG2 4.28Å; W456-A461 HydrophobicContact CB-CB 4.3Å; W456-A461 HydrophobicContact CE3-CB 4.13Å; W456-Y464 HydrophobicContact CH2-CD1 4Å; W456-Y464 AromaticContact CH2-CD2 3.61Å; W456-Y464 HydrophobicContact CH2-CD2 3.61Å; W456-Y464 HydrophobicContact CH2-CE1 4.09Å; W456-Y464 AromaticContact CH2-CE2 3.69Å; W456-Y464 HydrophobicContact CH2-CE2 3.69Å; W456-Y464 AromaticContact CH2-CG 3.76Å; W456-Y464 HydrophobicContact CH2-CG 3.76Å; W456-Y464 AromaticContact CH2-CZ 3.93Å; W456-Y464 AromaticContact CZ3-CD1 3.73Å; W456-Y464 HydrophobicContact CZ3-CD1 3.73Å; W456-Y464 AromaticContact CZ3-CD2 3.91Å; W456-Y464 HydrophobicContact CZ3-CD2 3.91Å; W456-Y464 HydrophobicContact CZ3-CE1 4.2Å; W456-Y464 HydrophobicContact CZ3-CE2 4.35Å; W456-Y464 AromaticContact CZ3-CG 3.56Å; W456-Y464 HydrophobicContact CZ3-CG 3.56Å
457	D	95.7	Very high	96.2	Very high	63 Å²	63	45.1 Å²	45.1	34%	0.337	22%	0.221	S	C	.	.			trans	-69	167	162.4	51.8	-76.3	0	0	0	112.4	T460 A461 Q486	D457-T460 VanDerWaalsContact CG-OG1 3.27Å; D457-T460 PolarHBondContact OD1-OG1 3.17Å; D457-T460 VanDerWaalsContact OD1-OG1 3.11Å; D457-T460 WeakPolarHBondContact OD2-CB 3.39Å; D457-T460 PolarHBondContact OD2-N 3.35Å; D457-T460 PolarHBondContact OD2-OG1 2.82Å; D457-A461 VanDerWaalsContact O-CB 3.22Å; D457-A461 WeakPolarHBondContact O-CB 3.49Å; D457-A461 PolarHBondContact O-N 3.08Å; D457-A461 VanDerWaalsContact O-N 3.1Å; D457-Q486 VanDerWaalsContact CB-NE2 3.29Å
458	L	97.1	Very high	95.9	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-47.5	-178.9	175.1	52.2	0	0	0	112.1	I447 M451 A461 F462 M479 L482 E483 Q486	I447-L458 HydrophobicContact CG2-CD1 3.87Å; M451-L458 HydrophobicContact CE-CB 4Å; M451-L458 HydrophobicContact CE-CD1 4.43Å; M451-L458 HydrophobicContact SD-CD1 4.04Å; L458-A461 PolarHBondContact O-N 3.34Å; L458-F462 VanDerWaalsContact O-CB 3.27Å; L458-F462 WeakPolarHBondContact O-CB 3.42Å; L458-F462 PolarHBondContact O-N 2.66Å; L458-M479 HydrophobicContact CD1-CE 4.33Å; L458-M479 HydrophobicContact CD2-CE 4.22Å; L458-M479 HydrophobicContact CG-CE 4.42Å; L458-L482 HydrophobicContact CD1-CB 3.64Å; L458-L482 HydrophobicContact CD1-CD1 3.92Å; L458-L482 HydrophobicContact CD1-CG 4.28Å; L458-L482 HydrophobicContact CD2-CB 3.98Å; L458-L482 HydrophobicContact CG-CB 4.46Å; L458-E483 HydrophobicContact CD2-CB 4.41Å; L458-E483 HydrophobicContact CD2-CG 3.6Å; L458-Q486 VanDerWaalsContact CB-OE1 3.28Å
459	D	95.8	Very high	95.6	Very high	111 Å²	111	49.7 Å²	49.7	59%	0.594	24%	0.238	S	C	*	.	H	α-helix	trans	-63	-50.2	-174.8	-58.7	-44.9	0	0	0	110.9	A461 F462 D463	D459-A461 VanDerWaalsContact C-N 3.33Å; D459-A461 PolarHBondContact O-N 3.16Å; D459-F462 PolarHBondContact O-N 3.13Å; D459-D463 WeakPolarHBondContact O-CB 3.49Å; D459-D463 PolarHBondContact O-N 2.84Å
460	T	96.8	Very high	95	Very high	67 Å²	67	54.5 Å²	54.5	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-42.1	175.1	-59.3	0	0	0	0	112.2	W456 D457 Y464	W456-T460 HydrophobicContact CB-CG2 4.48Å; W456-T460 HydrophobicContact CD2-CG2 4.3Å; W456-T460 HydrophobicContact CG-CG2 4.28Å; D457-T460 VanDerWaalsContact CG-OG1 3.27Å; D457-T460 PolarHBondContact OD1-OG1 3.17Å; D457-T460 VanDerWaalsContact OD1-OG1 3.11Å; D457-T460 WeakPolarHBondContact OD2-CB 3.39Å; D457-T460 PolarHBondContact OD2-N 3.35Å; D457-T460 PolarHBondContact OD2-OG1 2.82Å; T460-Y464 VanDerWaalsContact O-CB 3.25Å; T460-Y464 WeakPolarHBondContact O-CB 3.49Å; T460-Y464 PolarHBondContact O-N 2.9Å
461	A	97.6	Very high	94.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-71.8	-35	179.4	0	0	0	0	0	113.2	I447 A450 M451 W456 D457 L458 D459 V465	I447-A461 HydrophobicContact CG2-CB 3.94Å; A450-A461 HydrophobicContact CB-CB 4.15Å; M451-A461 HydrophobicContact CG-CB 3.53Å; W456-A461 HydrophobicContact CB-CB 4.3Å; W456-A461 HydrophobicContact CE3-CB 4.13Å; D457-A461 VanDerWaalsContact O-CB 3.22Å; D457-A461 WeakPolarHBondContact O-CB 3.49Å; D457-A461 PolarHBondContact O-N 3.08Å; D457-A461 VanDerWaalsContact O-N 3.1Å; L458-A461 PolarHBondContact O-N 3.34Å; D459-A461 VanDerWaalsContact C-N 3.33Å; D459-A461 PolarHBondContact O-N 3.16Å; A461-V465 VanDerWaalsContact O-CG2 3.32Å; A461-V465 WeakPolarHBondContact O-CG2 3.34Å; A461-V465 PolarHBondContact O-N 2.83Å
462	F	97.1	Very high	94.1	Very high	44 Å²	44	57.8 Å²	57.8	19%	0.193	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-51.8	174.2	172.2	-96.5	0	0	0	110.5	I447 L458 D459 Y464 V465 K466 T472 P474 M479	I447-F462 HydrophobicContact CD1-CD2 3.88Å; L458-F462 VanDerWaalsContact O-CB 3.27Å; L458-F462 WeakPolarHBondContact O-CB 3.42Å; L458-F462 PolarHBondContact O-N 2.66Å; D459-F462 PolarHBondContact O-N 3.13Å; F462-Y464 VanDerWaalsContact C-N 3.35Å; F462-Y464 PolarHBondContact O-N 2.9Å; F462-V465 PolarHBondContact O-N 2.86Å; F462-K466 HydrophobicContact CE1-CB 4.29Å; F462-K466 HydrophobicContact CE1-CG 4.24Å; F462-K466 HydrophobicContact CZ-CB 4.46Å; F462-K466 HydrophobicContact CZ-CD 4.28Å; F462-K466 HydrophobicContact CZ-CG 4.33Å; F462-K466 WeakPolarHBondContact O-CB 3.48Å; F462-K466 PolarHBondContact O-N 2.88Å; F462-T472 HydrophobicContact CE2-CG2 4.21Å; F462-P474 HydrophobicContact CE2-CG 4.39Å; F462-M479 HydrophobicContact CD2-CE 4.4Å; F462-M479 HydrophobicContact CD2-SD 4.39Å
463	D	96.8	Very high	93.9	Very high	98 Å²	98	62.9 Å²	62.9	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-39.1	-178.1	-80.6	-14.5	0	0	0	111.9	D459 V465 K466 E467	D459-D463 WeakPolarHBondContact O-CB 3.49Å; D459-D463 PolarHBondContact O-N 2.84Å; D463-V465 VanDerWaalsContact C-N 3.35Å; D463-V465 PolarHBondContact O-N 3.06Å; D463-K466 PolarHBondContact O-N 3.23Å; D463-E467 WeakPolarHBondContact O-CB 3.43Å; D463-E467 PolarHBondContact O-N 2.91Å
464	Y	97.2	Very high	93.8	Very high	62 Å²	62	60.9 Å²	60.9	24%	0.243	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-40.3	175.1	-176.5	-86.4	0	0	0	113.2	I354 F355 W456 T460 F462 R468	I354-Y464 HydrophobicContact CG2-CD1 4.27Å; I354-Y464 HydrophobicContact CG2-CE1 4.03Å; I354-Y464 WeakPolarHBondContact O-CE1 3.26Å; I354-Y464 PolarHBondContact O-OH 2.93Å; F355-Y464 AromaticContact CD1-CE1 3.88Å; F355-Y464 HydrophobicContact CD1-CE1 3.88Å; F355-Y464 HydrophobicContact CE1-CD1 4.08Å; F355-Y464 AromaticContact CE1-CE1 3.28Å; F355-Y464 HydrophobicContact CE1-CE1 3.28Å; F355-Y464 AromaticContact CE1-CZ 3.67Å; F355-Y464 HydrophobicContact CZ-CD1 4.09Å; F355-Y464 AromaticContact CZ-CE1 3.69Å; F355-Y464 HydrophobicContact CZ-CE1 3.69Å; W456-Y464 HydrophobicContact CH2-CD1 4Å; W456-Y464 AromaticContact CH2-CD2 3.61Å; W456-Y464 HydrophobicContact CH2-CD2 3.61Å; W456-Y464 HydrophobicContact CH2-CE1 4.09Å; W456-Y464 AromaticContact CH2-CE2 3.69Å; W456-Y464 HydrophobicContact CH2-CE2 3.69Å; W456-Y464 AromaticContact CH2-CG 3.76Å; W456-Y464 HydrophobicContact CH2-CG 3.76Å; W456-Y464 AromaticContact CH2-CZ 3.93Å; W456-Y464 AromaticContact CZ3-CD1 3.73Å; W456-Y464 HydrophobicContact CZ3-CD1 3.73Å; W456-Y464 AromaticContact CZ3-CD2 3.91Å; W456-Y464 HydrophobicContact CZ3-CD2 3.91Å; W456-Y464 HydrophobicContact CZ3-CE1 4.2Å; W456-Y464 HydrophobicContact CZ3-CE2 4.35Å; W456-Y464 AromaticContact CZ3-CG 3.56Å; W456-Y464 HydrophobicContact CZ3-CG 3.56Å; T460-Y464 VanDerWaalsContact O-CB 3.25Å; T460-Y464 WeakPolarHBondContact O-CB 3.49Å; T460-Y464 PolarHBondContact O-N 2.9Å; F462-Y464 VanDerWaalsContact C-N 3.35Å; F462-Y464 PolarHBondContact O-N 2.9Å; Y464-R468 PolarHBondContact O-NH1 2.93Å
465	V	96	Very high	93.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-76	-35.4	176.7	177.3	0	0	0	0	110.8	I354 L360 V446 I447 A461 F462 D463 R468 R469 T472	I354-V465 HydrophobicContact CD1-CG1 4.36Å; I354-V465 HydrophobicContact CG2-CG2 3.97Å; L360-V465 HydrophobicContact CD2-CG1 3.71Å; V446-V465 HydrophobicContact CG1-CG2 4.12Å; I447-V465 HydrophobicContact CG1-CB 4.05Å; I447-V465 HydrophobicContact CG1-CG1 4.32Å; I447-V465 HydrophobicContact CG1-CG2 3.88Å; A461-V465 VanDerWaalsContact O-CG2 3.32Å; A461-V465 WeakPolarHBondContact O-CG2 3.34Å; A461-V465 PolarHBondContact O-N 2.83Å; F462-V465 PolarHBondContact O-N 2.86Å; D463-V465 VanDerWaalsContact C-N 3.35Å; D463-V465 PolarHBondContact O-N 3.06Å; V465-R468 PolarHBondContact O-N 3.11Å; V465-R469 PolarHBondContact O-N 2.88Å; V465-T472 HydrophobicContact CG1-CG2 4.22Å
466	K	92.3	Very high	93.6	Very high	70 Å²	70	60.3 Å²	60.3	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-37.1	178.2	-176	61.4	168.6	179.4	0	113	F462 D463 R469 T470 T472	F462-K466 HydrophobicContact CE1-CB 4.29Å; F462-K466 HydrophobicContact CE1-CG 4.24Å; F462-K466 HydrophobicContact CZ-CB 4.46Å; F462-K466 HydrophobicContact CZ-CD 4.28Å; F462-K466 HydrophobicContact CZ-CG 4.33Å; F462-K466 WeakPolarHBondContact O-CB 3.48Å; F462-K466 PolarHBondContact O-N 2.88Å; D463-K466 PolarHBondContact O-N 3.23Å; K466-R469 CarbonylContact O-C 3.43Å; K466-T470 WeakPolarHBondContact CE-O 3.48Å; K466-T470 PolarHBondContact NZ-O 3.46Å; K466-T470 VanDerWaalsContact O-CA 3.26Å; K466-T470 WeakPolarHBondContact O-CA 3.47Å; K466-T470 PolarHBondContact O-N 2.97Å; K466-T472 WeakPolarHBondContact CD-O 3.45Å; K466-T472 PolarHBondContact NZ-O 3.16Å
467	E	94.2	Very high	93.5	Very high	136 Å²	136	58.2 Å²	58.2	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-58.8	-47.2	173.4	179.8	-174.5	-138.8	0	0	110.8	D463	D463-E467 WeakPolarHBondContact O-CB 3.43Å; D463-E467 PolarHBondContact O-N 2.91Å
468	R	92.6	Very high	93.6	Very high	88 Å²	88	55.2 Å²	55.2	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-75.6	-48	-178.2	-73.6	160.5	-172.2	57.1	20.6	112.2	T352 I354 Y464 V465	T352-R468 HydrophobicContact CG2-CB 3.93Å; T352-R468 WeakPolarHBondContact CG2-O 3.49Å; I354-R468 HydrophobicContact CD1-CB 3.73Å; Y464-R468 PolarHBondContact O-NH1 2.93Å; V465-R468 PolarHBondContact O-N 3.11Å
469	R	91.1	Very high	93.5	Very high	10 Å²	10	57 Å²	57	4%	0.038	29%	0.291	C	S	.	.	S	Bend	trans	-116.8	87.6	178.2	-166.9	167.9	-179.8	79.3	7	109.9	D349 T352 I354 L360 G438 V465 K466 V471 T472	D349-R469 IonicContact OD2-CZ 3.33Å; D349-R469 IonicContact OD2-NH1 2.77Å; D349-R469 PolarHBondContact OD2-NH1 3.12Å; D349-R469 IonicContact OD2-NH2 3.24Å; D349-R469 PolarHBondContact OD2-NH2 3.4Å; T352-R469 HydrophobicContact CG2-CB 4.05Å; T352-R469 WeakPolarHBondContact OG1-CD 3.24Å; T352-R469 PolarHBondContact OG1-NH1 3.48Å; I354-R469 HydrophobicContact CD1-CB 4.48Å; L360-R469 HydrophobicContact CD2-CB 4.29Å; G438-R469 PolarHBondContact O-NE 3.05Å; V465-R469 PolarHBondContact O-N 2.88Å; K466-R469 CarbonylContact O-C 3.43Å; R469-V471 HydrophobicContact CG-CG2 3.71Å; R469-V471 PolarHBondContact O-N 3.22Å; R469-V471 VanDerWaalsContact O-N 3.07Å; R469-T472 WeakPolarHBondContact O-CB 3.38Å; R469-T472 PolarHBondContact O-N 2.67Å; R469-T472 PolarHBondContact O-OG1 3.33Å
470	T	85.7	Confident	93.6	Very high	102 Å²	102	58.3 Å²	58.3	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.5	-174.4	58.9	0	0	0	0	114.4	K466 T472	K466-T470 WeakPolarHBondContact CE-O 3.48Å; K466-T470 PolarHBondContact NZ-O 3.46Å; K466-T470 VanDerWaalsContact O-CA 3.26Å; K466-T470 WeakPolarHBondContact O-CA 3.47Å; K466-T470 PolarHBondContact O-N 2.97Å; T470-T472 VanDerWaalsContact C-N 3.26Å; T470-T472 PolarHBondContact O-N 2.96Å
471	V	85.1	Confident	93.6	Very high	69 Å²	69	56 Å²	56	42%	0.418	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.6	174.8	-61.9	0	0	0	0	114.2	V439 R469 K473	V439-V471 HydrophobicContact CG2-CB 4.12Å; V439-V471 HydrophobicContact CG2-CG2 4.02Å; R469-V471 HydrophobicContact CG-CG2 3.71Å; R469-V471 PolarHBondContact O-N 3.22Å; R469-V471 VanDerWaalsContact O-N 3.07Å; V471-K473 PolarHBondContact O-N 3.34Å
472	T	90	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.			trans	-51.1	122.4	-179.1	-67.6	0	0	0	0	112.2	A443 I447 F462 V465 K466 R469 T470	A443-T472 HydrophobicContact CB-CG2 3.78Å; I447-T472 HydrophobicContact CD1-CG2 4.43Å; F462-T472 HydrophobicContact CE2-CG2 4.21Å; V465-T472 HydrophobicContact CG1-CG2 4.22Å; K466-T472 WeakPolarHBondContact CD-O 3.45Å; K466-T472 PolarHBondContact NZ-O 3.16Å; R469-T472 WeakPolarHBondContact O-CB 3.38Å; R469-T472 PolarHBondContact O-N 2.67Å; R469-T472 PolarHBondContact O-OG1 3.33Å; T470-T472 VanDerWaalsContact C-N 3.26Å; T470-T472 PolarHBondContact O-N 2.96Å
473	K	91.5	Very high	93.6	Very high	157 Å²	157	59 Å²	59	68%	0.683	29%	0.291	S	S	*	.			trans	-158.1	86.3	178	-170.3	178.6	-179.7	-179.7	0	109.8	V439 V471	V439-K473 HydrophobicContact CG1-CB 3.91Å; V439-K473 CarbonylContact O-C 3.43Å; V439-K473 VanDerWaalsContact O-C 3.31Å; V439-K473 PolarHBondContact O-N 2.91Å; V471-K473 PolarHBondContact O-N 3.34Å
474	P	92.9	Very high	93.6	Very high	11 Å²	11	59.8 Å²	59.8	7%	0.071	29%	0.291	C	S	.	.			trans	-51.2	146.4	168.6	-28.9	38.7	0	0	0	112.8	S444 I447 F462 F478 M479	S444-P474 WeakPolarHBondContact OG-CB 3.35Å; I447-P474 HydrophobicContact CD1-CG 4.01Å; F462-P474 HydrophobicContact CE2-CG 4.39Å; P474-F478 HydrophobicContact CB-CB 4.34Å; P474-M479 HydrophobicContact CB-CG 4.03Å; P474-M479 HydrophobicContact CB-SD 3.69Å; P474-M479 HydrophobicContact CG-SD 3.79Å
475	N	91.2	Very high	93.6	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.128	28%	0.282	C	S	.	.			trans	-56.2	140	164.7	-179.1	-49.7	0	0	0	109.9	D404 E406 S440 S477 F478 M479	D404-N475 PolarHBondContact O-ND2 3.27Å; E406-N475 WeakPolarHBondContact CG-OD1 3.35Å; E406-N475 PolarHBondContact N-ND2 3.31Å; S440-N475 PolarHBondContact OG-N 3Å; S440-N475 VanDerWaalsContact OG-N 3.08Å; N475-S477 PolarHBondContact O-N 3.07Å; N475-S477 VanDerWaalsContact O-N 3.09Å; N475-S477 WeakPolarHBondContact OD1-CB 3.47Å; N475-S477 PolarHBondContact OD1-N 2.75Å; N475-F478 HydrophobicContact CB-CD2 3.62Å; N475-F478 HydrophobicContact CB-CE2 3.86Å; N475-F478 HydrophobicContact CB-CG 4.09Å; N475-F478 WeakPolarHBondContact O-CA 3.24Å; N475-F478 WeakPolarHBondContact O-CB 3.49Å; N475-F478 PolarHBondContact O-N 2.83Å; N475-M479 PolarHBondContact O-N 3.06Å; N475-M479 VanDerWaalsContact O-N 3.08Å
476	P	92.1	Very high	93.6	Very high	81 Å²	81	59.9 Å²	59.9	53%	0.526	29%	0.293	S	S	.	.	H	α-helix	trans	-53.1	-28	176.9	-28.9	36.4	0	0	0	115.4	K480	P476-K480 WeakPolarHBondContact O-CG 3.5Å; P476-K480 PolarHBondContact O-N 2.73Å
477	S	95.4	Very high	93.7	Very high	24 Å²	24	58.3 Å²	58.3	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-40.4	171.8	-172.6	0	0	0	0	112	E406 N475 K480 Q481	E406-S477 VanDerWaalsContact O-CB 3.25Å; E406-S477 WeakPolarHBondContact O-CB 3.46Å; E406-S477 PolarHBondContact O-OG 2.85Å; N475-S477 PolarHBondContact O-N 3.07Å; N475-S477 VanDerWaalsContact O-N 3.09Å; N475-S477 WeakPolarHBondContact OD1-CB 3.47Å; N475-S477 PolarHBondContact OD1-N 2.75Å; S477-K480 PolarHBondContact O-N 2.75Å; S477-Q481 VanDerWaalsContact O-CG 3.32Å; S477-Q481 WeakPolarHBondContact O-CG 3.1Å; S477-Q481 PolarHBondContact O-N 2.91Å; S477-Q481 PolarHBondContact O-NE2 3.4Å; S477-Q481 PolarHBondContact OG-NE2 3.01Å; S477-Q481 VanDerWaalsContact OG-NE2 3.15Å
478	F	96.6	Very high	93.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-32.5	176	-57	-26.9	0	0	0	112.2	T408 L410 S440 R441 P474 N475 Q481 L482	T408-F478 HydrophobicContact CG2-CE1 3.91Å; T408-F478 HydrophobicContact CG2-CZ 4.08Å; T408-F478 WeakPolarHBondContact O-CE1 3.33Å; L410-F478 HydrophobicContact CB-CD1 4.42Å; L410-F478 HydrophobicContact CD1-CD1 3.68Å; L410-F478 HydrophobicContact CD1-CD2 3.83Å; L410-F478 HydrophobicContact CD1-CE1 3.68Å; L410-F478 HydrophobicContact CD1-CE2 3.83Å; L410-F478 HydrophobicContact CD1-CG 3.79Å; L410-F478 HydrophobicContact CD1-CZ 3.77Å; L410-F478 HydrophobicContact CG-CD1 4Å; L410-F478 HydrophobicContact CG-CE1 3.75Å; L410-F478 HydrophobicContact CG-CZ 4.13Å; S440-F478 WeakPolarHBondContact OG-CD2 3.18Å; S440-F478 WeakPolarHBondContact OG-CE2 3.05Å; R441-F478 HydrophobicContact CG-CE2 3.67Å; R441-F478 HydrophobicContact CG-CZ 3.94Å; P474-F478 HydrophobicContact CB-CB 4.34Å; N475-F478 HydrophobicContact CB-CD2 3.62Å; N475-F478 HydrophobicContact CB-CE2 3.86Å; N475-F478 HydrophobicContact CB-CG 4.09Å; N475-F478 WeakPolarHBondContact O-CA 3.24Å; N475-F478 WeakPolarHBondContact O-CB 3.49Å; N475-F478 PolarHBondContact O-N 2.83Å; F478-Q481 PolarHBondContact O-N 2.88Å; F478-L482 VanDerWaalsContact O-CG 3.27Å; F478-L482 WeakPolarHBondContact O-CG 3.29Å; F478-L482 PolarHBondContact O-N 3.37Å
479	M	96.6	Very high	93.7	Very high	44 Å²	44	52.7 Å²	52.7	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-47.9	171	-68	-57.2	-62.8	0	0	111.5	L458 F462 P474 N475 Q481 L482 E483	L458-M479 HydrophobicContact CD1-CE 4.33Å; L458-M479 HydrophobicContact CD2-CE 4.22Å; L458-M479 HydrophobicContact CG-CE 4.42Å; F462-M479 HydrophobicContact CD2-CE 4.4Å; F462-M479 HydrophobicContact CD2-SD 4.39Å; P474-M479 HydrophobicContact CB-CG 4.03Å; P474-M479 HydrophobicContact CB-SD 3.69Å; P474-M479 HydrophobicContact CG-SD 3.79Å; N475-M479 PolarHBondContact O-N 3.06Å; N475-M479 VanDerWaalsContact O-N 3.08Å; M479-Q481 VanDerWaalsContact C-N 3.31Å; M479-Q481 PolarHBondContact O-N 3.01Å; M479-L482 WeakPolarHBondContact O-CA 3.16Å; M479-L482 WeakPolarHBondContact O-CB 3.31Å; M479-L482 PolarHBondContact O-N 2.99Å; M479-L482 HydrophobicContact SD-CD1 4.22Å; M479-E483 WeakPolarHBondContact O-CG 3.42Å; M479-E483 PolarHBondContact O-N 3.42Å
480	K	96.4	Very high	93.7	Very high	138 Å²	138	56.2 Å²	56.2	60%	0.6	30%	0.296	S	S	*	.	H	α-helix	trans	-60.8	-38.5	175.2	-68.2	171.7	-177.8	174.6	0	113	P476 S477 L482 E483 E484	P476-K480 WeakPolarHBondContact O-CG 3.5Å; P476-K480 PolarHBondContact O-N 2.73Å; S477-K480 PolarHBondContact O-N 2.75Å; K480-L482 VanDerWaalsContact C-N 3.32Å; K480-E483 WeakPolarHBondContact O-CB 3.36Å; K480-E483 PolarHBondContact O-N 3.42Å; K480-E484 PolarHBondContact O-N 3.25Å
481	Q	97.1	Very high	94	Very high	18 Å²	18	53.6 Å²	53.6	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-36.2	174.5	-69.4	168.4	42.5	0	0	111.4	T408 N409 L411 W414 S477 F478 M479 E484 Y485	T408-Q481 PolarHBondContact O-NE2 2.95Å; N409-Q481 PolarHBondContact OD1-OE1 2.94Å; L411-Q481 HydrophobicContact CB-CB 4.44Å; W414-Q481 HydrophobicContact CH2-CB 3.64Å; W414-Q481 HydrophobicContact CZ3-CB 4Å; W414-Q481 WeakPolarHBondContact CZ3-O 3.21Å; S477-Q481 VanDerWaalsContact O-CG 3.32Å; S477-Q481 WeakPolarHBondContact O-CG 3.1Å; S477-Q481 PolarHBondContact O-N 2.91Å; S477-Q481 PolarHBondContact O-NE2 3.4Å; S477-Q481 PolarHBondContact OG-NE2 3.01Å; S477-Q481 VanDerWaalsContact OG-NE2 3.15Å; F478-Q481 PolarHBondContact O-N 2.88Å; M479-Q481 VanDerWaalsContact C-N 3.31Å; M479-Q481 PolarHBondContact O-N 3.01Å; Q481-E484 PolarHBondContact O-N 3.17Å; Q481-Y485 WeakPolarHBondContact O-CB 3.48Å; Q481-Y485 PolarHBondContact O-N 3.41Å
482	L	97.4	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-39.8	173.5	-71.1	166.7	0	0	0	112	W414 I447 A448 M451 L458 F478 M479 K480 Y485 Q486	W414-L482 HydrophobicContact CE3-CD2 4.37Å; W414-L482 HydrophobicContact CH2-CB 4.4Å; W414-L482 HydrophobicContact CH2-CD2 3.55Å; W414-L482 HydrophobicContact CH2-CG 3.6Å; W414-L482 HydrophobicContact CZ2-CD2 3.93Å; W414-L482 HydrophobicContact CZ2-CG 4.19Å; W414-L482 HydrophobicContact CZ3-CD2 3.77Å; W414-L482 HydrophobicContact CZ3-CG 4.13Å; I447-L482 HydrophobicContact CB-CD1 4.31Å; I447-L482 HydrophobicContact CB-CD2 4.44Å; I447-L482 HydrophobicContact CD1-CD1 4.49Å; I447-L482 HydrophobicContact CG2-CD1 3.99Å; I447-L482 HydrophobicContact CG2-CD2 4.15Å; A448-L482 HydrophobicContact CB-CD2 3.75Å; M451-L482 HydrophobicContact SD-CD2 3.97Å; L458-L482 HydrophobicContact CD1-CB 3.64Å; L458-L482 HydrophobicContact CD1-CD1 3.92Å; L458-L482 HydrophobicContact CD1-CG 4.28Å; L458-L482 HydrophobicContact CD2-CB 3.98Å; L458-L482 HydrophobicContact CG-CB 4.46Å; F478-L482 VanDerWaalsContact O-CG 3.27Å; F478-L482 WeakPolarHBondContact O-CG 3.29Å; F478-L482 PolarHBondContact O-N 3.37Å; M479-L482 WeakPolarHBondContact O-CA 3.16Å; M479-L482 WeakPolarHBondContact O-CB 3.31Å; M479-L482 PolarHBondContact O-N 2.99Å; M479-L482 HydrophobicContact SD-CD1 4.22Å; K480-L482 VanDerWaalsContact C-N 3.32Å; L482-Y485 WeakPolarHBondContact O-CB 3.43Å; L482-Y485 PolarHBondContact O-N 2.84Å; L482-Q486 PolarHBondContact O-N 3.15Å
483	E	96.9	Very high	93.7	Very high	108 Å²	108	57.9 Å²	57.9	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-47	171.7	-66.3	161	-153.1	0	0	110.8	L458 M479 K480 Y485 Q486 G487	L458-E483 HydrophobicContact CD2-CB 4.41Å; L458-E483 HydrophobicContact CD2-CG 3.6Å; M479-E483 WeakPolarHBondContact O-CG 3.42Å; M479-E483 PolarHBondContact O-N 3.42Å; K480-E483 WeakPolarHBondContact O-CB 3.36Å; K480-E483 PolarHBondContact O-N 3.42Å; E483-Y485 VanDerWaalsContact C-N 3.34Å; E483-Y485 PolarHBondContact O-N 2.93Å; E483-Q486 WeakPolarHBondContact O-CB 3.19Å; E483-Q486 PolarHBondContact O-N 3.11Å; E483-G487 PolarHBondContact O-N 3.03Å; E483-G487 VanDerWaalsContact O-N 3.1Å
484	E	96.7	Very high	93.1	Very high	113 Å²	113	56 Å²	56	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-42.1	174.4	-175.1	176.4	178.4	0	0	111.6	L411 K480 Q481 Q486 G487 I488	L411-E484 HydrophobicContact CD2-CB 4.48Å; L411-E484 VanDerWaalsContact CD2-CD 3.48Å; L411-E484 HydrophobicContact CD2-CG 3.99Å; K480-E484 PolarHBondContact O-N 3.25Å; Q481-E484 PolarHBondContact O-N 3.17Å; E484-Q486 PolarHBondContact O-N 2.9Å; E484-G487 WeakPolarHBondContact O-CA 3.42Å; E484-G487 PolarHBondContact O-N 2.82Å; E484-G487 VanDerWaalsContact O-N 3.14Å; E484-I488 HydrophobicContact CG-CD1 4.09Å; E484-I488 WeakPolarHBondContact O-CG1 3.3Å; E484-I488 PolarHBondContact O-N 3.08Å
485	Y	97.3	Very high	91.9	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-40	176.2	-165.3	-121.2	0	0	0	112.3	L411 W414 A448 K452 Q481 L482 E483 G487 I488 L489	L411-Y485 HydrophobicContact CD1-CD2 3.58Å; L411-Y485 HydrophobicContact CD1-CG 4.05Å; W414-Y485 HydrophobicContact CB-CE2 4.3Å; W414-Y485 HydrophobicContact CE3-CD1 4.15Å; W414-Y485 HydrophobicContact CE3-CD2 4.06Å; W414-Y485 AromaticContact CE3-CG 3.82Å; W414-Y485 HydrophobicContact CE3-CG 3.82Å; W414-Y485 HydrophobicContact CZ3-CG 4.23Å; A448-Y485 HydrophobicContact CB-CD1 4.18Å; A448-Y485 HydrophobicContact CB-CE1 4.08Å; K452-Y485 HydrophobicContact CB-CE1 4.36Å; K452-Y485 WeakPolarHBondContact CD-OH 3.24Å; K452-Y485 VanDerWaalsContact CE-OH 3.27Å; K452-Y485 WeakPolarHBondContact CE-OH 3.03Å; Q481-Y485 WeakPolarHBondContact O-CB 3.48Å; Q481-Y485 PolarHBondContact O-N 3.41Å; L482-Y485 WeakPolarHBondContact O-CB 3.43Å; L482-Y485 PolarHBondContact O-N 2.84Å; E483-Y485 VanDerWaalsContact C-N 3.34Å; E483-Y485 PolarHBondContact O-N 2.93Å; Y485-G487 VanDerWaalsContact C-N 3.31Å; Y485-G487 PolarHBondContact O-N 3.42Å; Y485-I488 PolarHBondContact O-N 2.75Å; Y485-L489 HydrophobicContact CD1-CD1 3.83Å; Y485-L489 HydrophobicContact CD1-CG 4.21Å; Y485-L489 HydrophobicContact CE1-CD1 3.67Å; Y485-L489 HydrophobicContact CE1-CD2 4.29Å; Y485-L489 HydrophobicContact CE1-CG 4.08Å; Y485-L489 WeakPolarHBondContact O-CB 3.39Å; Y485-L489 VanDerWaalsContact O-CG 3.31Å; Y485-L489 WeakPolarHBondContact O-CG 3.19Å; Y485-L489 PolarHBondContact O-N 3.05Å
486	Q	96.1	Very high	90.5	Very high	50 Å²	50	69.8 Å²	69.8	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-44.6	172.7	-164.4	-179.4	-3.3	0	0	110.7	M451 D457 L458 L482 E483 E484 L489 L490	M451-Q486 HydrophobicContact CE-CB 3.6Å; M451-Q486 HydrophobicContact CE-CG 4.06Å; D457-Q486 VanDerWaalsContact CB-NE2 3.29Å; L458-Q486 VanDerWaalsContact CB-OE1 3.28Å; L482-Q486 PolarHBondContact O-N 3.15Å; E483-Q486 WeakPolarHBondContact O-CB 3.19Å; E483-Q486 PolarHBondContact O-N 3.11Å; E484-Q486 PolarHBondContact O-N 2.9Å; Q486-L489 PolarHBondContact O-N 3.03Å; Q486-L490 HydrophobicContact CG-CD1 4.21Å; Q486-L490 WeakPolarHBondContact O-CB 3.34Å; Q486-L490 VanDerWaalsContact O-CG 3.26Å; Q486-L490 WeakPolarHBondContact O-CG 3.41Å; Q486-L490 PolarHBondContact O-N 3.5Å
487	G	94.6	Very high	89.1	Confident	38 Å²	38	70.3 Å²	70.3	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-58	-46.2	173.1	0	0	0	0	0	113	E483 E484 Y485 L490 A491	E483-G487 PolarHBondContact O-N 3.03Å; E483-G487 VanDerWaalsContact O-N 3.1Å; E484-G487 WeakPolarHBondContact O-CA 3.42Å; E484-G487 PolarHBondContact O-N 2.82Å; E484-G487 VanDerWaalsContact O-N 3.14Å; Y485-G487 VanDerWaalsContact C-N 3.31Å; Y485-G487 PolarHBondContact O-N 3.42Å; G487-L490 PolarHBondContact O-N 2.95Å; G487-A491 WeakPolarHBondContact O-CB 3.43Å; G487-A491 PolarHBondContact O-N 3.17Å
488	I	94.2	Very high	87.3	Confident	82 Å²	82	77.7 Å²	77.7	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-42.6	176.6	-68.4	164.5	0	0	0	111.4	L411 E484 Y485 S492	L411-I488 HydrophobicContact CD1-CD1 4.23Å; L411-I488 HydrophobicContact CD2-CD1 4.19Å; E484-I488 HydrophobicContact CG-CD1 4.09Å; E484-I488 WeakPolarHBondContact O-CG1 3.3Å; E484-I488 PolarHBondContact O-N 3.08Å; Y485-I488 PolarHBondContact O-N 2.75Å; I488-S492 VanDerWaalsContact O-CB 3.25Å; I488-S492 WeakPolarHBondContact O-CB 3.4Å; I488-S492 PolarHBondContact O-N 2.84Å
489	L	93.1	Very high	85.6	Confident	24 Å²	24	84.8 Å²	84.8	13%	0.126	42%	0.416	C	S	.	.	H	α-helix	trans	-67	-39.9	177.2	-68.4	-178.9	0	0	0	112.1	M451 K452 Y485 Q486 S492 K493	M451-L489 HydrophobicContact CB-CD1 4.03Å; K452-L489 HydrophobicContact CB-CD1 4.27Å; K452-L489 HydrophobicContact CG-CD2 3.89Å; Y485-L489 HydrophobicContact CD1-CD1 3.83Å; Y485-L489 HydrophobicContact CD1-CG 4.21Å; Y485-L489 HydrophobicContact CE1-CD1 3.67Å; Y485-L489 HydrophobicContact CE1-CD2 4.29Å; Y485-L489 HydrophobicContact CE1-CG 4.08Å; Y485-L489 WeakPolarHBondContact O-CB 3.39Å; Y485-L489 VanDerWaalsContact O-CG 3.31Å; Y485-L489 WeakPolarHBondContact O-CG 3.19Å; Y485-L489 PolarHBondContact O-N 3.05Å; Q486-L489 PolarHBondContact O-N 3.03Å; L489-S492 PolarHBondContact O-N 3.14Å; L489-K493 WeakPolarHBondContact O-CB 3.31Å; L489-K493 VanDerWaalsContact O-CG 3.29Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.37Å
490	L	91.6	Very high	83.8	Confident	84 Å²	84	91.3 Å²	91.3	44%	0.44	44%	0.439	S	S	.	.	H	α-helix	trans	-66.2	-45.8	175.6	-71.7	168.9	0	0	0	111.8	Q486 G487 S492 K493 Q494	Q486-L490 HydrophobicContact CG-CD1 4.21Å; Q486-L490 WeakPolarHBondContact O-CB 3.34Å; Q486-L490 VanDerWaalsContact O-CG 3.26Å; Q486-L490 WeakPolarHBondContact O-CG 3.41Å; Q486-L490 PolarHBondContact O-N 3.5Å; G487-L490 PolarHBondContact O-N 2.95Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 2.88Å; L490-K493 HydrophobicContact CD2-CD 4.49Å; L490-K493 WeakPolarHBondContact O-CB 3.44Å; L490-K493 PolarHBondContact O-N 3.32Å; L490-Q494 WeakPolarHBondContact O-CG 3.29Å; L490-Q494 PolarHBondContact O-N 3.1Å; L490-Q494 VanDerWaalsContact O-N 3.11Å
491	A	90.2	Very high	81.9	Confident	47 Å²	47	92.3 Å²	92.3	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-38.8	174.6	0	0	0	0	0	111.8	G487 Q494 R495	G487-A491 WeakPolarHBondContact O-CB 3.43Å; G487-A491 PolarHBondContact O-N 3.17Å; A491-Q494 PolarHBondContact O-N 3.35Å; A491-R495 WeakPolarHBondContact O-CG 3.06Å; A491-R495 PolarHBondContact O-N 3.11Å
492	S	86.8	Confident	79.6	Confident	53 Å²	53	95.3 Å²	95.3	37%	0.371	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-52.6	172.7	-173.1	0	0	0	0	111.2	I488 L489 L490 Q494 R495 H496	I488-S492 VanDerWaalsContact O-CB 3.25Å; I488-S492 WeakPolarHBondContact O-CB 3.4Å; I488-S492 PolarHBondContact O-N 2.84Å; L489-S492 PolarHBondContact O-N 3.14Å; L490-S492 VanDerWaalsContact C-N 3.3Å; L490-S492 PolarHBondContact O-N 2.88Å; S492-Q494 PolarHBondContact O-N 3.19Å; S492-Q494 VanDerWaalsContact O-N 3.1Å; S492-R495 PolarHBondContact O-N 3.46Å; S492-H496 VanDerWaalsContact C-CE1 3.49Å; S492-H496 PolarHBondContact O-CE1 3.31Å; S492-H496 PolarHBondContact O-ND1 3.04Å; S492-H496 VanDerWaalsContact O-ND1 3.1Å
493	K	84.1	Confident	77.5	Confident	106 Å²	106	103.1 Å²	103.1	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-48.4	-41.3	176.3	-78	169.6	179.7	176.7	0	111.8	G455 L489 L490 H496	G455-K493 PolarHBondContact O-NZ 3.27Å; L489-K493 WeakPolarHBondContact O-CB 3.31Å; L489-K493 VanDerWaalsContact O-CG 3.29Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 3.37Å; L490-K493 HydrophobicContact CD2-CD 4.49Å; L490-K493 WeakPolarHBondContact O-CB 3.44Å; L490-K493 PolarHBondContact O-N 3.32Å; K493-H496 WeakPolarHBondContact CA-ND1 3.44Å; K493-H496 PolarHBondContact O-ND1 2.88Å
494	Q	77.9	Confident	75.5	Confident	116 Å²	116	102.3 Å²	102.3	54%	0.542	50%	0.504	S	S	.	.	H	α-helix	trans	-70.5	-31.7	178.6	-68.4	177.6	7.3	0	0	115	L490 A491 S492 H496 N497	L490-Q494 WeakPolarHBondContact O-CG 3.29Å; L490-Q494 PolarHBondContact O-N 3.1Å; L490-Q494 VanDerWaalsContact O-N 3.11Å; A491-Q494 PolarHBondContact O-N 3.35Å; S492-Q494 PolarHBondContact O-N 3.19Å; S492-Q494 VanDerWaalsContact O-N 3.1Å; Q494-H496 PolarHBondContact O-N 2.96Å; Q494-N497 VanDerWaalsContact O-CB 3.23Å; Q494-N497 WeakPolarHBondContact O-CB 3.39Å; Q494-N497 PolarHBondContact O-N 3.44Å
495	R	67.2	Low	73.4	Confident	198 Å²	198	103.4 Å²	103.4	75%	0.747	51%	0.514	S	S	*	.	H	α-helix	trans	-64.5	-19.7	-180	-72.8	177	-177.7	-170	1.2	114.2	A491 S492	A491-R495 WeakPolarHBondContact O-CG 3.06Å; A491-R495 PolarHBondContact O-N 3.11Å; S492-R495 PolarHBondContact O-N 3.46Å
496	H	62.4	Low	71.1	Confident	127 Å²	127	106.2 Å²	106.2	59%	0.588	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.1	174.4	-38.1	104.1	0	0	0	113.1	S492 K493 Q494	S492-H496 VanDerWaalsContact C-CE1 3.49Å; S492-H496 PolarHBondContact O-CE1 3.31Å; S492-H496 PolarHBondContact O-ND1 3.04Å; S492-H496 VanDerWaalsContact O-ND1 3.1Å; K493-H496 WeakPolarHBondContact CA-ND1 3.44Å; K493-H496 PolarHBondContact O-ND1 2.88Å; Q494-H496 PolarHBondContact O-N 2.96Å
497	N	62.5	Low	68.7	Low	92 Å²	92	111 Å²	111	49%	0.492	56%	0.563	S	S	.	*	S	Bend	trans	-68.2	134	-179.1	-171.4	-7.2	0	0	0	109.8	Q494 L499 W500	Q494-N497 VanDerWaalsContact O-CB 3.23Å; Q494-N497 WeakPolarHBondContact O-CB 3.39Å; Q494-N497 PolarHBondContact O-N 3.44Å; N497-L499 PolarHBondContact O-N 3.34Å; N497-W500 PolarHBondContact O-N 3.29Å
498	K	58.4	Low	66.6	Low	180 Å²	180	117.6 Å²	117.6	78%	0.783	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-53.9	-31.9	-177.3	-70.4	-172.5	176.4	-175.3	0	112.7	W500 R501	K498-W500 PolarHBondContact O-N 2.91Å; K498-W500 VanDerWaalsContact O-N 3.15Å; K498-R501 PolarHBondContact O-N 3.45Å; K498-R501 VanDerWaalsContact O-N 3.14Å
499	L	60.7	Low	64.4	Low	148 Å²	148	118.5 Å²	118.5	78%	0.775	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-59.8	-21.5	179.1	-143.1	82.4	0	0	0	114.6	N497	N497-L499 PolarHBondContact O-N 3.34Å
500	W	57.9	Low	62	Low	181 Å²	181	124.8 Å²	124.8	69%	0.686	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-106.9	2.1	-180	-67.9	106.8	0	0	0	113.7	N497 K498	N497-W500 PolarHBondContact O-N 3.29Å; K498-W500 PolarHBondContact O-N 2.91Å; K498-W500 VanDerWaalsContact O-N 3.15Å
501	R	57.6	Low	59.4	Low	159 Å²	159	132.5 Å²	132.5	60%	0.6	66%	0.659	S	S	*	*	S	Bend	trans	-80.2	119.5	164.1	-71.1	-172.7	178	-96.7	0.7	108	K498 H503	K498-R501 PolarHBondContact O-N 3.45Å; K498-R501 VanDerWaalsContact O-N 3.14Å; R501-H503 PolarHBondContact O-N 3.39Å
502	S	48.4	Very low	57.9	Low	82 Å²	82	135.5 Å²	135.5	57%	0.573	67%	0.674	S	S	*	*			trans	-54.5	131.9	171.8	178	0	0	0	0	109.7	S504 D505	S502-S504 WeakPolarHBondContact CB-OG 3.34Å; S502-S504 PolarHBondContact O-N 3.19Å; S502-S504 PolarHBondContact OG-OG 2.85Å; S502-D505 PolarHBondContact O-N 3.16Å
503	H	52.3	Low	55.5	Low	164 Å²	164	140.3 Å²	140.3	76%	0.759	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-60.2	-15.9	-177.6	-78.7	-87.9	0	0	0	113.7	R501 D505 S506	R501-H503 PolarHBondContact O-N 3.39Å; H503-D505 PolarHBondContact O-N 3.01Å; H503-D505 VanDerWaalsContact O-N 3.11Å; H503-S506 WeakPolarHBondContact O-CB 3.2Å; H503-S506 PolarHBondContact O-N 3.38Å; H503-S506 VanDerWaalsContact O-N 3.09Å; H503-S506 PolarHBondContact O-OG 2.91Å
504	S	55.9	Low	53.4	Low	90 Å²	90	139.8 Å²	139.8	63%	0.629	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-55.4	-20.3	176.9	53.5	0	0	0	0	116.2	S502 S506	S502-S504 WeakPolarHBondContact CB-OG 3.34Å; S502-S504 PolarHBondContact O-N 3.19Å; S502-S504 PolarHBondContact OG-OG 2.85Å; S504-S506 VanDerWaalsContact C-N 3.3Å
505	D	51.7	Low	51.3	Low	136 Å²	136	142 Å²	142	73%	0.727	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-82.3	-0.6	176.7	-90.6	-12.5	0	0	0	113.8	S502 H503	S502-D505 PolarHBondContact O-N 3.16Å; H503-D505 PolarHBondContact O-N 3.01Å; H503-D505 VanDerWaalsContact O-N 3.11Å
506	S	49.5	Very low	49.5	Very low	73 Å²	73	138.5 Å²	138.5	51%	0.51	72%	0.723	S	S	.	*	S	Bend	trans	-94.1	-18.4	-170.5	-42	0	0	0	0	115	H503 S504 L508	H503-S506 WeakPolarHBondContact O-CB 3.2Å; H503-S506 PolarHBondContact O-N 3.38Å; H503-S506 VanDerWaalsContact O-N 3.09Å; H503-S506 PolarHBondContact O-OG 2.91Å; S504-S506 VanDerWaalsContact C-N 3.3Å; S506-L508 PolarHBondContact O-N 3.1Å
507	D	46.3	Very low	48.3	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	10.4	-162.5	-95.1	-3	0	0	0	115.7
508	L	49	Very low	47.9	Very low	177 Å²	177	142.8 Å²	142.8	93%	0.927	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	8.9	-179.2	-68.3	-178.4	0	0	0	114.9	S506	S506-L508 PolarHBondContact O-N 3.1Å
509	S	48.3	Very low	46.5	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	75%	0.752	S	S	*	*	S	Bend	trans	-127.7	37.5	-178.1	71.1	0	0	0	0	115.1
510	D	43.7	Very low	45.2	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	75%	0.752	S	S	*	*			trans	-144.7	115	164.5	-114.3	-40.1	0	0	0	113.6
511	R	35.8	Very low	44.8	Very low	245 Å²	245	135.1 Å²	135.1	93%	0.925	75%	0.753	S	S	*	*			trans	-151.9	115.3	160.1	-98.1	-163.1	172.9	-158.1	-3.5	109.3
512	P	59.8	Low	43.3	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	76%	0.764	S	S	*	*			trans	-92.3	148.9	-178	35.6	-34.9	0	0	0	113.2
513	D	37.2	Very low	42.4	Very low	154 Å²	154	137.6 Å²	137.6	82%	0.824	77%	0.768	S	S	*	*			trans	-178.2	128.9	131.4	-97.3	-32.3	0	0	0	108.4
514	S	39.6	Very low	41.1	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	77%	0.769	S	S	*	*				81.5	128.8	64	-159.6	0	0	0	0	111.6
515	M	32.2	Very low	39.8	Very low	162 Å²	162	146.9 Å²	146.9	80%	0.798	78%	0.783	S	S	*	*			cis	-162	153.7	4.2	-139.3	173.7	54.4	0	0	111.2
516	C	30.2	Very low	38.7	Very low	125 Å²	125	143.9 Å²	143.9	85%	0.845	78%	0.777	S	S	*	*			trans	-176.1	163.2	135.6	-107.1	0	0	0	0	114.1
517	K	37.8	Very low	37.7	Very low	192 Å²	192	147.9 Å²	147.9	84%	0.835	79%	0.793	S	S	*	*			trans	-150.9	-177.1	-166.4	-89	-177.4	177.9	175.2	0	109.3
518	P	54.2	Low	36.8	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	78%	0.783	S	S	*	*			cis	-138.1	172.9	-47	39.5	-24.3	0	0	0	113.7
519	S	27.8	Very low	36.2	Very low	126 Å²	126	144.3 Å²	144.3	88%	0.881	78%	0.776	S	S	*	*			trans	-167.6	152.6	142.8	57.9	0	0	0	0	113.2
520	S	35.1	Very low	35.3	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	78%	0.778	S	S	*	*			trans	-151.6	-178	179.7	66.3	0	0	0	0	108.2
521	P	48.5	Very low	34.7	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	77%	0.768	S	S	*	*			cis	-142.2	-172.8	4.2	40.5	-19.7	0	0	0	117
522	M	26.3	Very low	34.3	Very low	165 Å²	165	139.3 Å²	139.3	81%	0.813	76%	0.759	S	S	*	*			trans	97.1	138	137.2	-103.8	-168.8	171.8	0	0	124.7
523	L	29.5	Very low	32.8	Very low	127 Å²	127	139.7 Å²	139.7	67%	0.665	76%	0.76	S	S	*	*			trans	90.3	112.3	140.2	-81.8	164.7	0	0	0	123.8
524	R	24	Very low	32.4	Very low	208 Å²	208	138 Å²	138	79%	0.785	76%	0.755	S	S	*	*				90.2	89.9	126.5	-161.1	-174.7	-68.1	170.9	-0.7	121.3
525	R	28.9	Very low	31.8	Very low	241 Å²	241	138.6 Å²	138.6	91%	0.909	76%	0.759	S	S	*	*				51	133.5	113.7	-145.6	-173.4	-151	158.9	7.1	121.5
526	A	29	Very low	31.8	Very low	74 Å²	74	136.2 Å²	136.2	61%	0.612	76%	0.758	S	S	*	*			trans	82.9	121.8	153.2	0	0	0	0	0	119.9
527	D	28.4	Very low	32.3	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	75%	0.753	S	S	*	*				42.8	142.1	128.4	-34.2	-36.1	0	0	0	119.6
528	S	28.6	Very low	32.3	Very low	87 Å²	87	131.2 Å²	131.2	61%	0.608	75%	0.746	S	S	*	*			cis	-168.8	178.9	28	-163	0	0	0	0	113.3
529	H	34.7	Very low	31	Very low	166 Å²	166	134 Å²	134	77%	0.769	75%	0.754	S	S	*	*			trans	62.3	111.3	157.4	-57.3	-51.3	0	0	0	122.4
530	N	30.5	Very low	31.1	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	75%	0.751	S	S	*	*				44.4	124.3	112.4	-125.8	21.5	0	0	0	118.1
531	N	30.3	Very low	30.7	Very low	118 Å²	118	138.6 Å²	138.6	63%	0.631	75%	0.749	S	S	*	*				-171.7	163.2	53.4	-126.9	-31.2	0	0	0	110.9
532	N	28.2	Very low	29.7	Very low	138 Å²	138	141 Å²	141	74%	0.738	75%	0.748	S	S	*	*			trans	14.9	145	158.4	-64.3	-19	0	0	0	120.8
533	T	28.6	Very low	30.1	Very low	119 Å²	119	140.7 Å²	140.7	73%	0.73	75%	0.749	S	S	*	*				-174.4	140.3	67.8	-51.1	0	0	0	0	112.6
534	T	27.7	Very low	30	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.724	75%	0.748	S	S	*	*			trans	40.5	137.4	158.8	60.2	0	0	0	0	124.2
535	S	27.2	Very low	30.4	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	75%	0.752	S	S	*	*			trans	60.4	110.4	136.4	67.5	0	0	0	0	121.6
536	S	32.1	Very low	30.5	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	75%	0.745	S	S	*	*			trans	-49.3	156.7	138.3	-49.4	0	0	0	0	111.4
537	P	41.6	Very low	30.4	Very low	112 Å²	112	129.8 Å²	129.8	73%	0.727	75%	0.751	S	S	*	*			cis	-146.8	171.7	38.4	42.8	-23.2	0	0	0	119
538	S	37.3	Very low	30.5	Very low	100 Å²	100	128.8 Å²	128.8	70%	0.699	75%	0.745	S	S	*	*			trans	42.2	129.2	144.8	64	0	0	0	0	121.6
539	L	26.4	Very low	30.7	Very low	176 Å²	176	132.7 Å²	132.7	92%	0.921	75%	0.754	S	S	*	*			trans	-124.4	133.4	149.1	-108.8	174.5	0	0	0	110.9
540	H	29.6	Very low	30.5	Very low	176 Å²	176	128.4 Å²	128.4	82%	0.815	75%	0.747	S	S	*	*			trans	-80.8	142.4	174.7	-90.4	-117.7	0	0	0	112.1
541	H	27.4	Very low	30.5	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.736	76%	0.757	S	S	*	*			trans	-154.4	123.8	157.3	-127.4	30.1	0	0	0	105.8
542	F	27.7	Very low	30.3	Very low	160 Å²	160	128.3 Å²	128.3	70%	0.702	76%	0.763	S	S	*	*			cis	-159.1	166.6	39.6	-130	-71	0	0	0	111.1
543	L	33.4	Very low	30.2	Very low	158 Å²	158	127 Å²	127	83%	0.827	77%	0.772	S	S	*	*			trans	70	133.4	169.8	-53.5	168.1	0	0	0	115.4
544	G	28	Very low	30.2	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	78%	0.776	S	S	*	*			cis	96.2	133.1	0.4	0	0	0	0	0	113.2
545	V	33.1	Very low	31.2	Very low	146 Å²	146	128.8 Å²	128.8	89%	0.885	77%	0.772	S	S	*	*			cis	-153.5	163.7	9.3	175.6	0	0	0	0	109.5
546	A	29.9	Very low	31.2	Very low	91 Å²	91	128.9 Å²	128.9	75%	0.752	77%	0.773	S	S	*	*			trans	99.4	136.8	157.7	0	0	0	0	0	119.1
547	V	27.8	Very low	31.1	Very low	123 Å²	123	127.3 Å²	127.3	75%	0.745	77%	0.766	S	S	*	*			cis	-165.1	153.3	-19.7	72	0	0	0	0	112.5
548	L	30.4	Very low	30.5	Very low	136 Å²	136	131.5 Å²	131.5	71%	0.712	77%	0.773	S	S	*	*			trans	65.8	145.4	168.2	-49	176.7	0	0	0	117.3
549	Q	31.8	Very low	30.1	Very low	168 Å²	168	131 Å²	131	79%	0.785	77%	0.77	S	S	*	*			cis	-170.2	168.4	-12.5	-109.2	173.3	-37.4	0	0	107.5
550	A	31.4	Very low	30.1	Very low	76 Å²	76	134 Å²	134	63%	0.628	77%	0.769	S	S	*	*			cis	-175.1	167	-41.1	0	0	0	0	0	109.9
551	L	30.2	Very low	30.1	Very low	183 Å²	183	130.4 Å²	130.4	96%	0.958	76%	0.763	S	S	*	*			trans	71.7	133	171.7	-47.5	174.7	0	0	0	116.9
552	G	26.1	Very low	30.2	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	76%	0.759	S	S	*	*			cis	169.4	175.4	-9.9	0	0	0	0	0	114.6
553	A	27.6	Very low	30.1	Very low	112 Å²	112	126.2 Å²	126.2	93%	0.926	76%	0.761	S	S	*	*			trans	92	153	169.8	0	0	0	0	0	120.6
554	E	27.1	Very low	29.8	Very low	175 Å²	175	125.6 Å²	125.6	82%	0.818	76%	0.758	S	S	*	*			trans	-145.6	-170.6	-162.8	-96.1	-87.1	163.7	0	0	107.1
555	P	49.2	Very low	29.8	Very low	99 Å²	99	131.2 Å²	131.2	64%	0.643	77%	0.767	S	S	*	*			cis	-137.7	-173.4	-11.8	32.6	-10.1	0	0	0	116.7
556	S	27.7	Very low	29.6	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	76%	0.764	S	S	*	*			trans	85.5	153.2	141.6	85.6	0	0	0	0	120.3
557	A	29.2	Very low	29.4	Very low	78 Å²	78	133.1 Å²	133.1	65%	0.645	77%	0.773	S	S	*	*			cis	-172.9	158.9	-19.7	0	0	0	0	0	113.5
558	K	28.8	Very low	29.3	Very low	201 Å²	201	133 Å²	133	87%	0.874	78%	0.777	S	S	*	*			trans	55.6	153	141.9	-71.7	170.4	-174.7	173.9	0	120.5
559	S	28.3	Very low	29.2	Very low	90 Å²	90	134.2 Å²	134.2	63%	0.629	78%	0.784	S	S	*	*			cis	-179.2	154.6	-11.6	53.5	0	0	0	0	112.5
560	R	27.8	Very low	28.9	Very low	239 Å²	239	129.5 Å²	129.5	90%	0.902	78%	0.78	S	S	*	*			trans	65.2	158.1	151.1	-74.6	175.5	-178	-176.1	-0.8	117.7
561	S	28.7	Very low	28.7	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	80%	0.795	S	S	*	*			cis	-169.4	166.6	-14.7	45.4	0	0	0	0	111.3
562	S	29.4	Very low	28.4	Very low	94 Å²	94	129.2 Å²	129.2	66%	0.657	78%	0.784	S	S	*	*			trans	78.9	108.2	146.4	-75.7	0	0	0	0	122.7
563	D	27.1	Very low	28.4	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	79%	0.791	S	S	*	*				94.5	130.7	109.4	-66.4	-42.4	0	0	0	124.8
564	L	27.2	Very low	28.5	Very low	146 Å²	146	134 Å²	134	76%	0.764	78%	0.778	S	S	*	*			trans	75.2	115.2	145.7	-66.7	168.9	0	0	0	123.5
565	H	27.5	Very low	29.1	Very low	180 Å²	180	128.3 Å²	128.3	83%	0.833	76%	0.756	S	S	*	*			trans	3.1	140.6	134.1	-60.9	-101.8	0	0	0	117.8
566	A	27.8	Very low	28.1	Very low	101 Å²	101	129.8 Å²	129.8	84%	0.835	76%	0.758	S	S	*	*				-172.3	173.5	64.1	0	0	0	0	0	114.6
567	L	26.7	Very low	28.3	Very low	176 Å²	176	127.2 Å²	127.2	92%	0.921	73%	0.734	S	S	*	*			trans	-68.1	149	-178.6	-61.8	153.6	0	0	0	114.7
568	S	26.1	Very low	28.1	Very low	120 Å²	120	131.1 Å²	131.1	84%	0.839	74%	0.739	S	S	*	*			trans	-158	161.4	134.5	-159.8	0	0	0	0	112.4
569	N	27.9	Very low	28	Very low	162 Å²	162	124.8 Å²	124.8	87%	0.866	73%	0.731	S	S	*	*			trans	-80.7	165.4	-171.1	-53.8	-43.3	0	0	0	113.8
570	G	25.8	Very low	28.8	Very low	68 Å²	68	125.9 Å²	125.9	70%	0.701	74%	0.736	S	S	*	*			trans	142.4	91.1	141.1	0	0	0	0	0	118.8
571	I	26.6	Very low	28.9	Very low	183 Å²	183	125.2 Å²	125.2	94%	0.938	73%	0.733	S	S	*	*			trans	24.2	127.1	131.5	-58.8	163.5	0	0	0	118.5
572	G	24.9	Very low	28.9	Very low	71 Å²	71	128.2 Å²	128.2	73%	0.732	74%	0.741	S	S	*	*			trans	163.9	127	159.3	0	0	0	0	0	114.5
573	E	24.4	Very low	29.5	Very low	192 Å²	192	129.6 Å²	129.6	90%	0.897	75%	0.747	S	S	*	*			trans	-89.9	110.7	-171.3	-60.9	-156.7	120.3	0	0	116.2
574	S	29.7	Very low	30	Very low	93 Å²	93	130.1 Å²	130.1	65%	0.65	75%	0.749	S	S	*	*			trans	66.2	167.5	144.4	-82.4	0	0	0	0	123.1
575	P	41.3	Very low	30.8	Very low	56 Å²	56	129.3 Å²	129.3	36%	0.364	75%	0.753	S	S	.	*			trans	-106.4	-128.3	-164.4	43.1	-36.3	0	0	0	116.2	P653 S831	P575-P653 CarbonylContact O-C 3.03Å; P575-P653 WeakPolarHBondContact O-CA 3.1Å; P575-P653 WeakPolarHBondContact O-CD 3.47Å; P575-P653 VanDerWaalsContact O-CG 3.26Å; P575-P653 WeakPolarHBondContact O-CG 3.25Å; P575-P653 VanDerWaalsContact O-N 3.14Å; P575-S831 WeakPolarHBondContact CG-O 3.46Å
576	L	26.5	Very low	31.5	Very low	130 Å²	130	131.6 Å²	131.6	68%	0.681	75%	0.754	S	S	*	*			trans	-154.3	147.6	-168.3	-137.9	-172.9	0	0	0	113.7	S651 P653	L576-S651 WeakPolarHBondContact O-CB 3.48Å; L576-P653 WeakPolarHBondContact CA-O 3.27Å; L576-P653 VanDerWaalsContact CG-O 3.31Å; L576-P653 WeakPolarHBondContact CG-O 3.48Å
577	Q	32.3	Very low	32.1	Very low	55 Å²	55	132.6 Å²	132.6	26%	0.257	75%	0.752	S	S	.	*			trans	-83.9	158.6	179.8	-160.6	164.3	-50.5	0	0	115.9	S651 F652	Q577-S651 WeakPolarHBondContact CB-O 3.5Å; Q577-S651 VanDerWaalsContact CD-O 3.28Å; Q577-S651 WeakPolarHBondContact CG-O 3.43Å; Q577-S651 PolarHBondContact OE1-O 2.77Å; Q577-F652 PolarHBondContact N-O 2.94Å
578	E	26.2	Very low	32.4	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	75%	0.746	S	S	*	*			trans	62.2	161.4	163	-85.4	157.5	-134.2	0	0	119.1
579	G	26.8	Very low	32.5	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	73%	0.731	S	S	*	*			cis	-161.6	-166.7	7.5	0	0	0	0	0	114
580	P	45.1	Very low	32.5	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	73%	0.731	S	S	*	*			trans	-127.2	167.6	-151.9	39.4	-26.2	0	0	0	118.4
581	R	28.5	Very low	32.5	Very low	226 Å²	226	131.2 Å²	131.2	85%	0.853	73%	0.732	S	S	*	*			trans	148.9	121.7	131.9	-80.7	162	-177.4	-163.3	1.6	116.5
582	L	29	Very low	33.1	Very low	162 Å²	162	126 Å²	126	85%	0.848	71%	0.708	S	S	*	*				46.9	170.4	125	-58.6	176.6	0	0	0	122.2
583	P	43.1	Very low	33.4	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	71%	0.713	S	S	*	*			cis	-132.1	-168.5	-16.1	25.3	0.4	0	0	0	115.9
584	L	37.7	Very low	33.5	Very low	148 Å²	148	124.4 Å²	124.4	78%	0.775	69%	0.691	S	S	*	*			trans	-65.4	159.7	174.2	-83.5	152.5	0	0	0	116.1
585	P	42.1	Very low	33.4	Very low	129 Å²	129	127.3 Å²	127.3	84%	0.838	70%	0.695	S	S	*	*				-149.1	-173.1	84.6	37.7	-16.6	0	0	0	117.5
586	R	42.8	Very low	32.8	Very low	227 Å²	227	131.4 Å²	131.4	86%	0.857	71%	0.709	S	S	*	*			trans	-144.6	149.9	-175.1	-79.6	176.7	163.6	172.9	-5.5	114.1
587	P	40.2	Very low	32.8	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	71%	0.705	S	S	*	*			trans	-131.7	132.2	138.2	35.7	-23.3	0	0	0	111.4
588	R	32.5	Very low	32.5	Very low	213 Å²	213	135.3 Å²	135.3	80%	0.804	73%	0.725	S	S	*	*				58.2	133.1	62	-75.1	-170.1	171.2	177.5	-1.6	114.5
589	A	29	Very low	32.4	Very low	63 Å²	63	135.1 Å²	135.1	52%	0.521	73%	0.729	S	S	.	*			cis	-172.8	173.3	-16.1	0	0	0	0	0	109.9	V592	A589-V592 HydrophobicContact CB-CG2 3.34Å
590	A	27.3	Very low	32.3	Very low	104 Å²	104	136.2 Å²	136.2	86%	0.86	73%	0.726	S	S	*	*	S	Bend	trans	-152.1	90	157.5	0	0	0	0	0	111.5
591	T	27.2	Very low	31.2	Very low	117 Å²	117	142.7 Å²	142.7	72%	0.718	74%	0.736	S	S	*	*			cis	-155.2	123.1	-15.7	6	0	0	0	0	103.1
592	V	39.3	Very low	30.9	Very low	74 Å²	74	135.2 Å²	135.2	45%	0.448	72%	0.722	S	S	.	*				62	149	89.5	170.3	0	0	0	0	111.6	A589	A589-V592 HydrophobicContact CB-CG2 3.34Å
593	I	30.5	Very low	30.7	Very low	162 Å²	162	132.7 Å²	132.7	83%	0.831	72%	0.718	S	S	*	*				-169.3	134.5	126.1	-90.7	147.9	0	0	0	104.4
594	P	27.3	Very low	29.9	Very low	67 Å²	67	134.6 Å²	134.6	44%	0.435	72%	0.72	S	S	.	*			trans	-91.4	-173.7	-138.9	37.4	-38.3	0	0	0	113
595	E	27.4	Very low	29.2	Very low	155 Å²	155	131.6 Å²	131.6	72%	0.724	72%	0.716	S	S	*	*			trans	74.2	132.2	151.3	-94.7	117.4	-116.4	0	0	115.6
596	E	28.4	Very low	28.4	Very low	141 Å²	141	131.6 Å²	131.6	66%	0.659	71%	0.714	S	S	*	*				76.4	155	73.3	-80.2	-159.3	163.1	0	0	113.1
597	K	25.5	Very low	27.6	Very low	137 Å²	137	126.7 Å²	126.7	60%	0.596	71%	0.709	S	S	*	*			cis	-167.1	-167.1	-5	155.8	-177.4	-87.1	154.3	0	106.4
598	L	27.3	Very low	26.8	Very low	131 Å²	131	127 Å²	127	69%	0.686	71%	0.709	S	S	*	*			trans	102.3	120.6	155.4	-53.2	166.6	0	0	0	112
599	D	23.5	Very low	27.3	Very low	156 Å²	156	122.8 Å²	122.8	83%	0.834	71%	0.709	S	S	*	*			cis	56.3	58.8	5.3	-79.7	1.9	0	0	0	115.1
600	S	24.7	Very low	27.3	Very low	91 Å²	91	123.8 Å²	123.8	64%	0.636	72%	0.717	S	S	*	*			trans	-161.6	118.8	152.5	-85.2	0	0	0	0	112.9
601	W	22.5	Very low	27.4	Very low	248 Å²	248	122.9 Å²	122.9	94%	0.939	71%	0.71	S	S	*	*				25.9	133.7	102	-139.8	-73.8	0	0	0	117.1
602	A	22.5	Very low	27.6	Very low	69 Å²	69	123.2 Å²	123.2	57%	0.57	71%	0.706	S	S	*	*			cis	-169.9	-175.8	-22.4	0	0	0	0	0	108
603	S	23.4	Very low	27.8	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	72%	0.722	S	S	*	*			trans	74.9	169.1	155.4	-57.3	0	0	0	0	119
604	I	27.5	Very low	27.8	Very low	164 Å²	164	124.7 Å²	124.7	84%	0.841	72%	0.715	S	S	*	*			trans	66.9	83.8	173.4	-43.1	-179.4	0	0	0	113.5
605	A	23	Very low	28.8	Very low	84 Å²	84	127 Å²	127	69%	0.694	73%	0.73	S	S	*	*			cis	92	129.2	41.5	0	0	0	0	0	115.3
606	V	23.8	Very low	30.3	Very low	130 Å²	130	125.4 Å²	125.4	79%	0.788	73%	0.733	S	S	*	*			trans	65.4	120.2	158.5	-173.1	0	0	0	0	115.5
607	T	25.9	Very low	31.2	Very low	124 Å²	124	124.7 Å²	124.7	76%	0.761	74%	0.741	S	S	*	*				-162.4	134.4	69.1	-43.5	0	0	0	0	115
608	V	23.9	Very low	31.5	Very low	128 Å²	128	122.7 Å²	122.7	78%	0.776	74%	0.744	S	S	*	*			trans	-16.3	146.8	148.3	179.5	0	0	0	0	116.5
609	P	43.3	Very low	31.6	Very low	124 Å²	124	123.8 Å²	123.8	81%	0.805	75%	0.75	S	S	*	*			cis	-119.1	-160.3	33.3	42.9	-28.8	0	0	0	114.6
610	A	28.9	Very low	31.8	Very low	85 Å²	85	123.9 Å²	123.9	70%	0.702	75%	0.745	S	S	*	*			cis	-146.3	172.3	11.1	0	0	0	0	0	109.7
611	A	29.4	Very low	32.1	Very low	84 Å²	84	127.6 Å²	127.6	69%	0.694	76%	0.756	S	S	*	*			cis	75.4	119.5	31.5	0	0	0	0	0	115.3
612	L	31.5	Very low	32.3	Very low	124 Å²	124	123.3 Å²	123.3	65%	0.649	75%	0.75	S	S	*	*			cis	104.5	142.9	19.1	-82	84	0	0	0	115.7	H614	L612-H614 WeakPolarHBondContact CD2-ND1 3.27Å
613	P	43	Very low	33.4	Very low	119 Å²	119	125.5 Å²	125.5	77%	0.773	76%	0.759	S	S	*	*				-112.6	149.7	72.8	-0	22.1	0	0	0	114.1
614	H	31	Very low	34.3	Very low	149 Å²	149	125.6 Å²	125.6	69%	0.69	76%	0.757	S	S	*	*			cis	85.3	146.1	46.6	-62.1	-52	0	0	0	114.8	L612	L612-H614 WeakPolarHBondContact CD2-ND1 3.27Å
615	P	48.5	Very low	34.2	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	75%	0.753	S	S	*	*			cis	-142.1	168.2	-36.1	39.6	-23.3	0	0	0	115.5
616	P	58	Low	35	Very low	123 Å²	123	124.4 Å²	124.4	80%	0.799	75%	0.75	S	S	*	*			trans	-115.5	150.7	170	38.1	-28.9	0	0	0	115.2
617	P	48.8	Very low	35.2	Very low	126 Å²	126	126.1 Å²	126.1	82%	0.818	75%	0.75	S	S	*	*			trans	-124.2	118.1	-179.5	37.8	-23.5	0	0	0	118.2
618	S	31.3	Very low	35.2	Very low	95 Å²	95	125.9 Å²	125.9	66%	0.664	74%	0.743	S	S	*	*			trans	1	155.1	139.8	-47	0	0	0	0	124.5
619	L	30	Very low	35.5	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	74%	0.742	S	S	*	*				178.7	120	95.3	-83.5	174.5	0	0	0	110.3
620	H	27.5	Very low	34.7	Very low	158 Å²	158	132 Å²	132	73%	0.731	74%	0.743	S	S	*	*				68.1	120.5	80.6	-86.4	-109.6	0	0	0	116.5
621	I	30.5	Very low	34.4	Very low	168 Å²	168	139.6 Å²	139.6	86%	0.862	75%	0.753	S	S	*	*				170.8	130.4	123.9	-88.6	161	0	0	0	112.4
622	L	25.8	Very low	34.1	Very low	159 Å²	159	139.5 Å²	139.5	83%	0.832	75%	0.753	S	S	*	*			trans	-106.8	-171.7	164.9	-68.9	160.7	0	0	0	107.7
623	P	46.4	Very low	34.5	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	76%	0.758	S	S	*	*			cis	-120.2	-142.1	-18	29.2	-2.8	0	0	0	107.7
624	P	41.6	Very low	33.9	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	74%	0.743	S	S	*	*			cis	-137.5	159.9	-6.4	42.6	-23	0	0	0	120.1
625	T	26.3	Very low	33.7	Very low	123 Å²	123	136 Å²	136	76%	0.755	75%	0.75	S	S	*	*			trans	-26.6	168.7	139.6	40.4	0	0	0	0	117.9
626	P	40.5	Very low	32.7	Very low	99 Å²	99	137.3 Å²	137.3	64%	0.643	75%	0.75	S	S	*	*			cis	-146.2	179.4	29.7	41.3	-20.1	0	0	0	120
627	E	26.4	Very low	31.2	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	75%	0.746	S	S	*	*			trans	77.2	145.8	138.7	-95	174.7	-124	0	0	121.5
628	L	26.8	Very low	30.1	Very low	119 Å²	119	137.3 Å²	137.3	62%	0.623	74%	0.739	S	S	*	*			cis	-141.3	137	5.3	-85.9	162.8	0	0	0	112.3
629	H	28.9	Very low	30.1	Very low	162 Å²	162	139.9 Å²	139.9	75%	0.75	75%	0.745	S	S	*	*			trans	66.2	151.3	144.9	-73	71.1	0	0	0	121.1
630	R	26.8	Very low	29.9	Very low	220 Å²	220	137.4 Å²	137.4	83%	0.83	74%	0.74	S	S	*	*			cis	-151.4	119.8	14.6	-175	176.5	-73.9	-167.1	-1.5	115.2
631	R	24.1	Very low	29.9	Very low	243 Å²	243	137 Å²	137	92%	0.917	74%	0.739	S	S	*	*			trans	61.8	142.1	140.2	-143.3	177.3	-165	149.9	4.4	122.9
632	A	23.3	Very low	29.7	Very low	83 Å²	83	137 Å²	137	69%	0.686	73%	0.733	S	S	*	*			trans	-90.2	-173.5	167.8	0	0	0	0	0	112.4
633	P	39.7	Very low	29.7	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	73%	0.728	S	S	*	*				-126.8	-152.8	54.4	29.7	-5.7	0	0	0	111.9
634	S	28.9	Very low	28.6	Very low	65 Å²	65	138 Å²	138	46%	0.455	73%	0.731	S	S	.	*			cis	-147.1	176.9	9.2	-71.4	0	0	0	0	111.3	Q846	S634-Q846 PolarHBondContact OG-NE2 3Å; S634-Q846 VanDerWaalsContact OG-NE2 3.11Å; S634-Q846 PolarHBondContact OG-OE1 3.34Å
635	T	27.5	Very low	28.2	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	73%	0.728	S	S	*	*			trans	-159.6	172.1	176.4	-41.4	0	0	0	0	110.3
636	L	26.8	Very low	28.1	Very low	142 Å²	142	137.4 Å²	137.4	74%	0.743	73%	0.727	S	S	*	*			trans	167.6	138.7	134.6	-86	-176	0	0	0	114.9
637	Q	27.3	Very low	27.5	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	73%	0.734	S	S	*	*			trans	42.6	131.2	137.5	-74.2	168.2	-32.6	0	0	123
638	S	26.3	Very low	28	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	73%	0.734	S	S	*	*				78.1	148.7	81.4	97.4	0	0	0	0	113.9
639	D	29.9	Very low	27.9	Very low	149 Å²	149	136.8 Å²	136.8	80%	0.797	73%	0.731	S	S	*	*			cis	-153.2	-164.2	27.8	-129.2	-64.9	0	0	0	115.4
640	S	26.4	Very low	27.7	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	73%	0.725	S	S	*	*			trans	-55	157.6	178.5	-147	0	0	0	0	115.8
641	E	28.2	Very low	27.6	Very low	149 Å²	149	125 Å²	125	70%	0.696	69%	0.691	S	S	*	*				-169.1	-167.5	65.8	-112.3	-131.5	111.8	0	0	116.1
642	K	25.2	Very low	27.8	Very low	170 Å²	170	118.3 Å²	118.3	74%	0.739	67%	0.668	S	S	*	*			trans	-66.6	174.5	-178.2	-39.3	176.6	-173.2	79.7	0	113.6
643	C	25.8	Very low	28.5	Very low	108 Å²	108	115.3 Å²	115.3	73%	0.73	64%	0.642	S	S	*	*			cis	-156.9	149.5	13.2	-121	0	0	0	0	107.9
644	K	23.2	Very low	28	Very low	187 Å²	187	112.1 Å²	112.1	81%	0.813	63%	0.63	S	S	*	*				51.7	146.8	79	-99.1	-170.9	178.3	-176.2	0	116.4
645	P	32.9	Very low	28.1	Very low	101 Å²	101	115 Å²	115	66%	0.656	65%	0.646	S	S	*	*			cis	-142.1	-162.1	-48.3	33.2	-9.8	0	0	0	113.6
646	V	24.8	Very low	28.1	Very low	120 Å²	120	116.4 Å²	116.4	73%	0.727	64%	0.642	S	S	*	*			trans	73.3	125.1	165.4	-143.8	0	0	0	0	114.7
647	E	29.4	Very low	28.1	Very low	171 Å²	171	114.8 Å²	114.8	80%	0.799	64%	0.643	S	S	*	*				58.9	152.3	61.8	-92.8	-166.8	156.3	0	0	115.1
648	P	36.9	Very low	28.4	Very low	118 Å²	118	111.7 Å²	111.7	77%	0.766	64%	0.639	S	S	*	*			cis	-90.1	-104.9	-1.3	29.4	-17.9	0	0	0	113.9
649	S	22.8	Very low	28.6	Very low	81 Å²	81	116 Å²	116	57%	0.566	65%	0.648	S	S	*	*			cis	-154	160.6	12.5	51.9	0	0	0	0	112.7
650	L	26.2	Very low	28.7	Very low	120 Å²	120	115.6 Å²	115.6	63%	0.628	64%	0.641	S	S	*	*			trans	-113	117.7	-179.6	-73.2	173.5	0	0	0	113.1	S832	L650-S832 CarbonylContact C-O 3.43Å; L650-S832 WeakPolarHBondContact CA-O 3.39Å; L650-S832 WeakPolarHBondContact CB-O 3.04Å; L650-S832 WeakPolarHBondContact CD2-O 3.27Å
651	S	23.3	Very low	28.7	Very low	16 Å²	16	118.3 Å²	118.3	11%	0.112	65%	0.646	C	S	.	*			trans	-164.2	169.7	130.2	-67.3	0	0	0	0	110.2	L576 Q577 S830 S831 S832 S833	L576-S651 WeakPolarHBondContact O-CB 3.48Å; Q577-S651 WeakPolarHBondContact CB-O 3.5Å; Q577-S651 VanDerWaalsContact CD-O 3.28Å; Q577-S651 WeakPolarHBondContact CG-O 3.43Å; Q577-S651 PolarHBondContact OE1-O 2.77Å; S651-S830 PolarHBondContact OG-O 3.23Å; S651-S831 VanDerWaalsContact CA-O 3.29Å; S651-S831 WeakPolarHBondContact CA-O 3.49Å; S651-S831 VanDerWaalsContact CB-O 3.31Å; S651-S831 WeakPolarHBondContact CB-O 3.26Å; S651-S831 PolarHBondContact OG-N 3.37Å; S651-S831 PolarHBondContact OG-O 3.27Å; S651-S831 VanDerWaalsContact OG-O 3.07Å; S651-S832 CarbonylContact C-O 3.5Å; S651-S832 WeakPolarHBondContact CA-O 3.47Å; S651-S832 PolarHBondContact N-O 3.46Å; S651-S833 VanDerWaalsContact O-CA 3.24Å; S651-S833 WeakPolarHBondContact O-CA 3.5Å
652	F	29.9	Very low	28.7	Very low	101 Å²	101	115.5 Å²	115.5	44%	0.443	64%	0.644	S	S	.	*			trans	-139.7	-85.6	-170.4	153.8	44.7	0	0	0	119.2	Q577 S832 S834	Q577-F652 PolarHBondContact N-O 2.94Å; F652-S832 WeakPolarHBondContact CB-OG 3.33Å; F652-S832 PolarHBondContact N-OG 2.81Å; F652-S834 WeakPolarHBondContact CD1-OG 3.33Å; F652-S834 VanDerWaalsContact CE1-OG 3.26Å; F652-S834 WeakPolarHBondContact CE1-OG 3.35Å
653	P	38	Very low	28.9	Very low	21 Å²	21	111 Å²	111	14%	0.136	64%	0.638	C	S	.	*			trans	-83.9	-154.4	-140.6	36.3	-39	0	0	0	114.3	P575 L576 S832	P575-P653 CarbonylContact O-C 3.03Å; P575-P653 WeakPolarHBondContact O-CA 3.1Å; P575-P653 WeakPolarHBondContact O-CD 3.47Å; P575-P653 VanDerWaalsContact O-CG 3.26Å; P575-P653 WeakPolarHBondContact O-CG 3.25Å; P575-P653 VanDerWaalsContact O-N 3.14Å; L576-P653 WeakPolarHBondContact CA-O 3.27Å; L576-P653 VanDerWaalsContact CG-O 3.31Å; L576-P653 WeakPolarHBondContact CG-O 3.48Å; P653-S832 WeakPolarHBondContact CD-OG 3.33Å
654	G	28.3	Very low	29	Very low	49 Å²	49	113.2 Å²	113.2	51%	0.505	64%	0.642	S	S	.	*			cis	172.6	146.6	6.8	0	0	0	0	0	110.7
655	T	30.8	Very low	29.1	Very low	127 Å²	127	110.8 Å²	110.8	78%	0.779	64%	0.638	S	S	*	*			trans	64.7	144.4	179.9	76.7	0	0	0	0	115.6
656	H	26.9	Very low	28.9	Very low	163 Å²	163	116.8 Å²	116.8	76%	0.755	65%	0.647	S	S	*	*			cis	-164.6	160.7	-21.7	-107.6	-49	0	0	0	108.4
657	S	28.7	Very low	29.1	Very low	108 Å²	108	114.9 Å²	114.9	76%	0.755	65%	0.651	S	S	*	*			trans	59	152.5	154.4	57	0	0	0	0	119.8
658	S	32	Very low	29.2	Very low	92 Å²	92	112.7 Å²	112.7	64%	0.643	66%	0.655	S	S	*	*			cis	-172.6	156	-17.7	-89.7	0	0	0	0	108
659	E	31.2	Very low	28.8	Very low	184 Å²	184	110.1 Å²	110.1	86%	0.86	65%	0.65	S	S	*	*			trans	66.1	158.2	150.8	-74	162.3	-174.8	0	0	119.5
660	E	31.3	Very low	29.2	Very low	140 Å²	140	113.7 Å²	113.7	65%	0.654	66%	0.663	S	S	*	*			cis	-94.6	-110.1	4.8	-167.1	-156.1	114.5	0	0	113.2	S662	E660-S662 WeakPolarHBondContact OE1-CB 3.27Å; E660-S662 PolarHBondContact OE1-N 2.81Å; E660-S662 PolarHBondContact OE1-OG 3.04Å
661	I	27.1	Very low	29.5	Very low	158 Å²	158	115 Å²	115	81%	0.81	67%	0.671	S	S	*	*			cis	-144.2	134.6	4	-48.2	176.6	0	0	0	110
662	S	27.2	Very low	30	Very low	91 Å²	91	118.8 Å²	118.8	64%	0.636	70%	0.697	S	S	*	*			trans	-95.7	-174.8	-176.4	-46.1	0	0	0	0	112.7	E660	E660-S662 WeakPolarHBondContact OE1-CB 3.27Å; E660-S662 PolarHBondContact OE1-N 2.81Å; E660-S662 PolarHBondContact OE1-OG 3.04Å
663	A	29.4	Very low	30.1	Very low	76 Å²	76	121.8 Å²	121.8	63%	0.628	72%	0.718	S	S	*	*			cis	-164.4	150	7.1	0	0	0	0	0	114.6
664	L	27.8	Very low	29.7	Very low	153 Å²	153	124.8 Å²	124.8	80%	0.801	74%	0.744	S	S	*	*			trans	64.8	164.6	130.6	-71	169.4	0	0	0	124.6
665	N	27.3	Very low	29.9	Very low	136 Å²	136	129.3 Å²	129.3	73%	0.727	76%	0.756	S	S	*	*			trans	88.8	150.8	153.8	-69.9	-35.7	0	0	0	119.7
666	R	28.7	Very low	30	Very low	228 Å²	228	130.3 Å²	130.3	86%	0.86	75%	0.752	S	S	*	*			cis	-178.9	143.6	-18.8	171.3	177.7	-176.9	-174	2.6	111.2
667	G	28.3	Very low	30.3	Very low	79 Å²	79	129.8 Å²	129.8	81%	0.814	75%	0.75	S	S	*	*			trans	92.7	165	148.5	0	0	0	0	0	118.2
668	S	31.3	Very low	30.4	Very low	126 Å²	126	129.1 Å²	129.1	88%	0.881	75%	0.745	S	S	*	*			trans	-135.8	140.6	179.4	54.5	0	0	0	0	109.3
669	G	28.9	Very low	30.8	Very low	64 Å²	64	130.4 Å²	130.4	66%	0.66	75%	0.751	S	S	*	*			trans	163	100.2	174.3	0	0	0	0	0	114.6
670	D	30.3	Very low	30.8	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	74%	0.742	S	S	*	*			trans	57.1	134	135.8	-46.8	-24.1	0	0	0	124.2
671	D	32.4	Very low	30.6	Very low	147 Å²	147	127 Å²	127	79%	0.786	75%	0.751	S	S	*	*			trans	90.3	113.6	136.8	-88.4	-41.9	0	0	0	126.2
672	S	35.1	Very low	30.7	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	74%	0.743	S	S	*	*				89.4	128.1	127.8	-70.3	0	0	0	0	124.1
673	D	30.1	Very low	30.8	Very low	163 Å²	163	125.3 Å²	125.3	87%	0.872	75%	0.753	S	S	*	*			trans	48.5	131.1	155.6	-67.4	-19.5	0	0	0	121.3
674	A	30.5	Very low	30.7	Very low	84 Å²	84	125.4 Å²	125.4	69%	0.694	76%	0.762	S	S	*	*			cis	-172.4	144.8	44.9	0	0	0	0	0	114.9
675	L	32.3	Very low	30.7	Very low	145 Å²	145	127.6 Å²	127.6	76%	0.759	77%	0.768	S	S	*	*			trans	57.5	109.8	151.5	-50.6	-175	0	0	0	120.5
676	Q	33.8	Very low	31	Very low	147 Å²	147	130.3 Å²	130.3	69%	0.687	78%	0.776	S	S	*	*				80	140.6	94	-79.1	-171.5	-71.4	0	0	115.5
677	E	32.4	Very low	31.3	Very low	153 Å²	153	125.4 Å²	125.4	72%	0.715	77%	0.772	S	S	*	*			cis	-146	146.6	0.8	-103.3	166.2	160.7	0	0	108.7
678	S	30.7	Very low	32.4	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	77%	0.766	S	S	*	*				72.3	160.9	62.1	-47	0	0	0	0	113.9
679	P	40.9	Very low	32.3	Very low	118 Å²	118	128 Å²	128	77%	0.766	76%	0.762	S	S	*	*			cis	-114	167	-1.1	33.6	-15.6	0	0	0	113.3
680	S	30.9	Very low	32.3	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	77%	0.769	S	S	*	*			cis	84.7	126.5	28.5	-49.3	0	0	0	0	115.4
681	D	27.2	Very low	33.6	Very low	158 Å²	158	129 Å²	129	85%	0.845	77%	0.767	S	S	*	*			trans	166.7	151.6	144.2	-94.8	-0	0	0	0	111.4
682	S	29	Very low	33.6	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	77%	0.768	S	S	*	*			cis	-162.4	156.7	-21.8	49.2	0	0	0	0	113.2
683	S	29.4	Very low	33.3	Very low	120 Å²	120	126.5 Å²	126.5	84%	0.839	77%	0.773	S	S	*	*			trans	-29.6	161.9	165.9	55.7	0	0	0	0	121.3
684	G	28.3	Very low	33.2	Very low	79 Å²	79	123.7 Å²	123.7	81%	0.814	77%	0.772	S	S	*	*			trans	-174.7	88.5	157.7	0	0	0	0	0	115.9
685	E	27.4	Very low	33.1	Very low	198 Å²	198	124 Å²	124	93%	0.925	77%	0.774	S	S	*	*			trans	-92.5	175.6	166.9	-80.9	-171	99.8	0	0	112.5
686	Q	33.2	Very low	32.8	Very low	193 Å²	193	123.9 Å²	123.9	90%	0.902	78%	0.78	S	S	*	*			trans	-63.9	147.8	169.3	-68.2	-174.7	2.3	0	0	112.7
687	T	34.2	Very low	32.6	Very low	126 Å²	126	121.1 Å²	121.1	77%	0.773	78%	0.782	S	S	*	*			trans	-90.6	162.4	154.9	15.3	0	0	0	0	109.4
688	P	52.3	Low	32.2	Very low	105 Å²	105	122.5 Å²	122.5	68%	0.682	79%	0.788	S	S	*	*			cis	-139.7	159.1	9	38.5	-19.2	0	0	0	118.4
689	L	29.4	Very low	33.1	Very low	155 Å²	155	122.9 Å²	122.9	81%	0.812	79%	0.788	S	S	*	*			trans	46.9	102.3	141.6	-64.9	168.2	0	0	0	122.5
690	C	29.3	Very low	32.2	Very low	117 Å²	117	125.1 Å²	125.1	79%	0.791	79%	0.793	S	S	*	*			trans	71.9	157.5	135.1	-60.6	0	0	0	0	120.7
691	P	55.9	Low	33.1	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	79%	0.792	S	S	*	*			cis	-133.3	164.8	-4.8	40	-23.4	0	0	0	117.6
692	A	33.7	Very low	33	Very low	98 Å²	98	124.7 Å²	124.7	81%	0.81	79%	0.788	S	S	*	*			trans	73.9	136.8	144.1	0	0	0	0	0	124.9
693	A	28.8	Very low	32.9	Very low	94 Å²	94	125.4 Å²	125.4	78%	0.777	79%	0.789	S	S	*	*			trans	78.6	98.3	139.8	0	0	0	0	0	124.4
694	A	26.9	Very low	32.8	Very low	104 Å²	104	127.1 Å²	127.1	86%	0.86	79%	0.788	S	S	*	*				76.7	149.2	121.2	0	0	0	0	0	124.7
695	A	28.6	Very low	32.8	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	79%	0.785	S	S	*	*			trans	93.6	90.7	151.2	0	0	0	0	0	122.3
696	T	27	Very low	33.1	Very low	142 Å²	142	126.5 Å²	126.5	87%	0.871	78%	0.78	S	S	*	*				39.9	136.9	120.9	-22	0	0	0	0	123.6
697	A	29.7	Very low	33.4	Very low	89 Å²	89	124 Å²	124	74%	0.736	77%	0.773	S	S	*	*				120.4	149.9	129	0	0	0	0	0	120.5
698	H	23.5	Very low	33.6	Very low	182 Å²	182	123.6 Å²	123.6	84%	0.843	77%	0.766	S	S	*	*			trans	-79.7	-154.5	158.7	-50.7	-97.3	0	0	0	109.5
699	P	49	Very low	32.5	Very low	102 Å²	102	126.5 Å²	126.5	66%	0.662	78%	0.776	S	S	*	*			cis	-143.3	157	-11.6	31.7	-8.4	0	0	0	119.2
700	L	23.2	Very low	32.8	Very low	165 Å²	165	125.4 Å²	125.4	86%	0.864	77%	0.771	S	S	*	*			trans	60.8	-165.9	140.2	-63.7	172.8	0	0	0	118.5
701	P	50.1	Low	34.2	Very low	98 Å²	98	124.9 Å²	124.9	64%	0.636	77%	0.766	S	S	*	*				-130	-177.3	-59.9	28.2	-8.5	0	0	0	116
702	L	24.8	Very low	33.1	Very low	146 Å²	146	123.5 Å²	123.5	76%	0.764	76%	0.76	S	S	*	*			trans	109.8	120.8	144.2	-57.3	-177.3	0	0	0	123
703	T	26.4	Very low	32.9	Very low	108 Å²	108	127 Å²	127	66%	0.663	76%	0.759	S	S	*	*				62.5	129.1	126.7	66.4	0	0	0	0	126.2
704	L	27.2	Very low	33.8	Very low	157 Å²	157	127 Å²	127	82%	0.822	75%	0.752	S	S	*	*				76.8	140.9	125.4	-78.5	169.3	0	0	0	124.2
705	S	27.8	Very low	34.1	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	75%	0.746	S	S	*	*			trans	86.9	151.2	143.2	-65.3	0	0	0	0	121.6
706	D	33	Very low	34.5	Very low	156 Å²	156	131.3 Å²	131.3	83%	0.834	75%	0.752	S	S	*	*			trans	-95.9	171	-173.1	-51.6	-92.5	0	0	0	114.8
707	D	39.9	Very low	34.7	Very low	141 Å²	141	127.7 Å²	127.7	75%	0.754	74%	0.743	S	S	*	*				107.7	148.8	125.4	-136.4	0.4	0	0	0	122.8
708	N	39.5	Very low	35	Very low	118 Å²	118	129.3 Å²	129.3	63%	0.631	75%	0.749	S	S	*	*			trans	69.7	127	159.5	-72.1	-70.2	0	0	0	123.2
709	N	29.7	Very low	35.7	Very low	166 Å²	166	125.3 Å²	125.3	89%	0.888	75%	0.748	S	S	*	*				-161.7	168.9	104.6	-110.4	-74.3	0	0	0	116.3
710	N	34.6	Very low	35	Very low	132 Å²	132	125.7 Å²	125.7	71%	0.706	75%	0.752	S	S	*	*			trans	-107.5	-158.3	-166.9	-144.2	7.5	0	0	0	110.6
711	P	59.3	Low	35.3	Very low	105 Å²	105	125.2 Å²	125.2	68%	0.682	75%	0.751	S	S	*	*			cis	-141	152.7	-12.6	33.2	-9.8	0	0	0	120.3
712	S	33.3	Very low	34.6	Very low	94 Å²	94	125.2 Å²	125.2	66%	0.657	75%	0.753	S	S	*	*				53.6	132	128	-47.8	0	0	0	0	127.9
713	E	29.4	Very low	35.2	Very low	170 Å²	170	123.9 Å²	123.9	79%	0.794	76%	0.756	S	S	*	*				66.1	165.6	128.5	-73.8	-79	106.2	0	0	122
714	P	45.9	Very low	36.3	Very low	96 Å²	96	125.2 Å²	125.2	62%	0.623	77%	0.766	S	S	*	*			cis	-135.9	168.7	-6.8	26.4	-2.6	0	0	0	118.6
715	L	34.5	Very low	36.4	Very low	143 Å²	143	123.9 Å²	123.9	75%	0.749	76%	0.76	S	S	*	*			trans	75.9	134.8	143.8	-77.3	163.5	0	0	0	126
716	T	35.6	Very low	36.5	Very low	140 Å²	140	126.5 Å²	126.5	86%	0.859	76%	0.76	S	S	*	*			trans	69.3	141.7	152.9	54.6	0	0	0	0	122.3
717	G	33	Very low	36.7	Very low	67 Å²	67	124 Å²	124	69%	0.691	76%	0.755	S	S	*	*			trans	-178.7	-89	163.7	0	0	0	0	0	121.4
718	S	36.3	Very low	36.8	Very low	123 Å²	123	123.4 Å²	123.4	86%	0.86	76%	0.759	S	S	*	*			trans	68.8	133.8	-171.7	73.7	0	0	0	0	119.7
719	A	37.1	Very low	36.5	Very low	98 Å²	98	123 Å²	123	81%	0.81	77%	0.765	S	S	*	*			trans	67.2	145.9	159.8	0	0	0	0	0	119.8
720	S	33.8	Very low	36.5	Very low	109 Å²	109	122.8 Å²	122.8	76%	0.762	76%	0.764	S	S	*	*			cis	-167.8	145.7	-12.4	50.9	0	0	0	0	114.6
721	D	30.6	Very low	36.2	Very low	155 Å²	155	118.9 Å²	118.9	83%	0.829	76%	0.755	S	S	*	*			trans	90.1	137.8	140.2	-124.7	-22.2	0	0	0	125.7
722	S	34.5	Very low	34.8	Very low	98 Å²	98	119.6 Å²	119.6	69%	0.685	76%	0.763	S	S	*	*			trans	83.7	132.7	156	76.8	0	0	0	0	123.5
723	S	38.6	Very low	34.7	Very low	119 Å²	119	119.6 Å²	119.6	83%	0.832	76%	0.763	S	S	*	*			trans	70.4	129.7	176.3	-47.7	0	0	0	0	116.5
724	P	49.7	Very low	34.8	Very low	135 Å²	135	118.1 Å²	118.1	88%	0.877	76%	0.76	S	S	*	*				-151.3	-163.8	88.6	41.6	-22.5	0	0	0	114.6
725	N	28.5	Very low	34.1	Very low	130 Å²	130	122 Å²	122	70%	0.695	77%	0.77	S	S	*	*			trans	-149.4	143.5	-176.2	-166.2	18.9	0	0	0	112.8
726	H	30.6	Very low	33.8	Very low	162 Å²	162	121 Å²	121	75%	0.75	78%	0.775	S	S	*	*			trans	59.6	151.7	177.9	-63	-74.3	0	0	0	117.8
727	S	36	Very low	33.5	Very low	102 Å²	102	119.6 Å²	119.6	71%	0.713	77%	0.77	S	S	*	*			cis	-175	161.7	-17.7	49.6	0	0	0	0	109.8
728	P	43.1	Very low	33.3	Very low	130 Å²	130	124.2 Å²	124.2	84%	0.844	78%	0.779	S	S	*	*			trans	-126.5	154.9	167.1	38.2	-25.7	0	0	0	117.1
729	S	32.3	Very low	33	Very low	108 Å²	108	123.1 Å²	123.1	76%	0.755	77%	0.772	S	S	*	*			trans	-86	-178.2	170.2	51.5	0	0	0	0	111.9
730	D	30.1	Very low	32.7	Very low	162 Å²	162	125.9 Å²	125.9	87%	0.866	77%	0.771	S	S	*	*			cis	-158.2	-167.5	-10	-127.5	-51.2	0	0	0	107.1
731	G	28.5	Very low	32.5	Very low	51 Å²	51	126.3 Å²	126.3	53%	0.526	77%	0.765	S	S	.	*			cis	159.6	169.3	-0.7	0	0	0	0	0	112.5
732	S	29.9	Very low	32.4	Very low	120 Å²	120	127.9 Å²	127.9	84%	0.839	77%	0.765	S	S	*	*			trans	69	144.5	170.2	-144.9	0	0	0	0	117.8
733	S	30.7	Very low	32.2	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	77%	0.772	S	S	*	*			cis	-164.8	140.1	-10.9	31.1	0	0	0	0	113.9
734	N	31.7	Very low	32.1	Very low	139 Å²	139	132 Å²	132	74%	0.743	77%	0.77	S	S	*	*			trans	53.1	130.8	140.1	-64.9	4	0	0	0	125.4
735	H	31.3	Very low	31.3	Very low	177 Å²	177	130 Å²	130	82%	0.819	77%	0.765	S	S	*	*			trans	63.1	109.2	146.3	-60.8	-53	0	0	0	122.3
736	S	27.5	Very low	31.3	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	77%	0.774	S	S	*	*				-159.3	172.1	107	-160.2	0	0	0	0	111
737	S	30.2	Very low	31.5	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	78%	0.779	S	S	*	*			trans	-84.6	153.7	-178	-50.2	0	0	0	0	113.3
738	D	28.7	Very low	31.4	Very low	164 Å²	164	140.4 Å²	140.4	88%	0.877	79%	0.785	S	S	*	*				-160.5	171.6	126.8	-134.3	-33.6	0	0	0	114
739	S	28.8	Very low	30.8	Very low	100 Å²	100	144 Å²	144	70%	0.699	79%	0.788	S	S	*	*			trans	-81.2	145	-172.4	-175.5	0	0	0	0	115.1
740	I	31.3	Very low	30.8	Very low	156 Å²	156	146.3 Å²	146.3	80%	0.8	80%	0.797	S	S	*	*			trans	-137.4	127.1	162.5	-63	-175.9	0	0	0	110
741	D	29.5	Very low	30.9	Very low	118 Å²	118	141.4 Å²	141.4	63%	0.631	79%	0.785	S	S	*	*			trans	-78.9	140.7	178.2	-178.6	9.3	0	0	0	112.2
742	F	28.4	Very low	30.8	Very low	189 Å²	189	147.8 Å²	147.8	83%	0.829	81%	0.806	S	S	*	*	S	Bend	trans	-97.1	2.9	-165.9	-135.6	-93.7	0	0	0	115.1
743	F	31.2	Very low	30.7	Very low	189 Å²	189	147.1 Å²	147.1	83%	0.829	81%	0.808	S	S	*	*	S	Bend	trans	-90.8	-7.5	-176.8	-90.4	-83.4	0	0	0	116.5	A745	F743-A745 PolarHBondContact O-N 3.12Å
744	S	35.2	Very low	30.5	Very low	115 Å²	115	151.8 Å²	151.8	80%	0.804	82%	0.819	S	S	*	*	S	Bend	trans	-87.9	12.5	-175.3	-64.3	0	0	0	0	115.7
745	A	33	Very low	30.3	Very low	92 Å²	92	153.6 Å²	153.6	76%	0.76	82%	0.823	S	S	*	*			trans	-107.5	19.5	-168.6	0	0	0	0	0	115.7	F743	F743-A745 PolarHBondContact O-N 3.12Å
746	R	30	Very low	30.3	Very low	237 Å²	237	151.2 Å²	151.2	89%	0.894	82%	0.823	S	S	*	*	S	Bend	trans	-112.9	-5.5	-177.5	-157.4	167.9	178.8	-172.7	-2.4	115.9
747	E	34.9	Very low	30.2	Very low	183 Å²	183	153.1 Å²	153.1	86%	0.855	82%	0.819	S	S	*	*	S	Bend	trans	-112.2	68.8	177.4	-67.7	-160.7	145.7	0	0	113.3
748	K	33.2	Very low	30.1	Very low	192 Å²	192	156.5 Å²	156.5	84%	0.835	82%	0.822	S	S	*	*	S	Bend	trans	-174.6	99.1	157.1	-99.6	140.8	-171.1	168.7	0	109.1
749	F	29.8	Very low	29.9	Very low	206 Å²	206	157.1 Å²	157.1	90%	0.904	83%	0.825	S	S	*	*			trans	156.2	47.9	154.6	-87.4	-62	0	0	0	111.9
750	V	32.8	Very low	29.9	Very low	157 Å²	157	159.5 Å²	159.5	95%	0.952	83%	0.825	S	S	*	*	S	Bend	trans	-124.3	95.5	156.8	179.2	0	0	0	0	106.7
751	G	33.2	Very low	29.9	Very low	59 Å²	59	159.3 Å²	159.3	61%	0.608	82%	0.821	S	S	*	*	S	Bend	trans	156.6	137.6	-173.9	0	0	0	0	0	110.7
752	L	25.4	Very low	29.7	Very low	184 Å²	184	163.9 Å²	163.9	96%	0.963	83%	0.829	S	S	*	*			trans	67.3	79.3	-175.9	-50.9	-179	0	0	0	115.1
753	A	27.5	Very low	29.6	Very low	106 Å²	106	162.8 Å²	162.8	88%	0.876	83%	0.831	S	S	*	*			trans	-140.7	57.9	162.6	0	0	0	0	0	111.1
754	Q	26.3	Very low	29.3	Very low	193 Å²	193	158 Å²	158	90%	0.902	83%	0.827	S	S	*	*			trans	-137.1	140.5	160.2	-73.9	-171.5	-12.1	0	0	107.8
755	E	28.5	Very low	29.6	Very low	177 Å²	177	158.3 Å²	158.3	83%	0.827	83%	0.825	S	S	*	*			trans	-75.2	166.8	179.1	-59	-169.8	140.8	0	0	111.7
756	P	31.4	Very low	29.2	Very low	126 Å²	126	158.1 Å²	158.1	82%	0.818	82%	0.824	S	S	*	*				-141.4	165.1	106.9	38.8	-27.5	0	0	0	115.2
757	E	25.4	Very low	29.1	Very low	164 Å²	164	154.7 Å²	154.7	77%	0.766	82%	0.818	S	S	*	*			trans	-74.7	158.7	174.1	-65.4	-172.8	101.1	0	0	114.2
758	Q	28	Very low	28.7	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	82%	0.816	S	S	*	*			trans	5.5	129.2	153.7	-52.7	-179.7	19.4	0	0	119.6
759	L	24.5	Very low	28.3	Very low	178 Å²	178	149.1 Å²	149.1	93%	0.932	82%	0.817	S	S	*	*			trans	-141.1	136.8	145.5	-165.1	69.9	0	0	0	112
760	Q	29.2	Very low	28.3	Very low	149 Å²	149	147.2 Å²	147.2	70%	0.696	82%	0.817	S	S	*	*			trans	-107.5	139.1	177.9	-178.3	71.4	4.3	0	0	109.7
761	Q	29.7	Very low	28.3	Very low	153 Å²	153	143.6 Å²	143.6	72%	0.715	80%	0.803	S	S	*	*			trans	70.3	103.4	163.2	-78.2	165.6	10.8	0	0	120.9
762	R	26.8	Very low	28.2	Very low	213 Å²	213	149.5 Å²	149.5	80%	0.804	82%	0.815	S	S	*	*				84.9	125.2	105.6	-177.7	173.9	-78.2	-169.7	-4.5	120.7
763	L	26.1	Very low	28.6	Very low	167 Å²	167	146 Å²	146	87%	0.874	80%	0.801	S	S	*	*			trans	73.6	156.8	161.3	-76.9	164	0	0	0	117.6
764	A	24.4	Very low	28.6	Very low	89 Å²	89	148.8 Å²	148.8	74%	0.736	79%	0.793	S	S	*	*			trans	-150.6	-176.5	-167.7	0	0	0	0	0	108.5
765	P	42	Very low	28.6	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	78%	0.779	S	S	*	*			cis	-133.9	-177	-7.9	40.6	-23.7	0	0	0	115.2
766	A	24.6	Very low	28.7	Very low	88 Å²	88	141.1 Å²	141.1	73%	0.727	77%	0.773	S	S	*	*			trans	92.7	149.4	142.4	0	0	0	0	0	123.1
767	Q	26.2	Very low	28.5	Very low	165 Å²	165	144.3 Å²	144.3	77%	0.771	78%	0.777	S	S	*	*			trans	75.8	114.3	161.6	-73.1	-179.1	-92.7	0	0	122.8
768	E	26.6	Very low	28.7	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	78%	0.781	S	S	*	*				56.9	134.1	127.9	-61.9	173.7	129	0	0	122.1
769	G	26.3	Very low	29.7	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	78%	0.779	S	S	*	*			trans	164	125.3	164.7	0	0	0	0	0	113.6
770	D	29.1	Very low	30.2	Very low	167 Å²	167	143.1 Å²	143.1	89%	0.893	78%	0.777	S	S	*	*			trans	-121	163.5	-178	-142.9	-26.2	0	0	0	111.5
771	A	33.1	Very low	30.4	Very low	80 Å²	80	142.5 Å²	142.5	66%	0.661	78%	0.779	S	S	*	*			trans	65.1	106.5	162.1	0	0	0	0	0	123.7
772	Q	31.8	Very low	30.6	Very low	183 Å²	183	138.1 Å²	138.1	86%	0.855	77%	0.774	S	S	*	*				64.8	144	106.3	-146.6	-167.3	2.8	0	0	124.3
773	V	34	Very low	30.8	Very low	111 Å²	111	138.7 Å²	138.7	67%	0.673	78%	0.776	S	S	*	*			trans	112.9	132.3	145.7	-175.1	0	0	0	0	121.5
774	K	27.3	Very low	30.8	Very low	165 Å²	165	136.4 Å²	136.4	72%	0.717	77%	0.774	S	S	*	*			trans	69.3	154.4	160.9	-86.9	171.1	172.8	-79.8	0	120.8	E776	K774-E776 IonicContact NZ-OE1 2.65Å; K774-E776 PolarHBondContact NZ-OE1 3.12Å; K774-E776 IonicContact NZ-OE2 2.62Å; K774-E776 PolarHBondContact NZ-OE2 3.49Å
775	G	25	Very low	31.2	Very low	58 Å²	58	140.5 Å²	140.5	60%	0.598	78%	0.778	S	S	*	*			cis	-157.5	159.3	-1.4	0	0	0	0	0	111.3
776	E	31.5	Very low	30.7	Very low	150 Å²	150	140 Å²	140	70%	0.701	78%	0.777	S	S	*	*				72.9	138.8	86	-65.9	161.8	151.7	0	0	113.2	K774	K774-E776 IonicContact NZ-OE1 2.65Å; K774-E776 PolarHBondContact NZ-OE1 3.12Å; K774-E776 IonicContact NZ-OE2 2.62Å; K774-E776 PolarHBondContact NZ-OE2 3.49Å
777	E	27	Very low	31.2	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	79%	0.785	S	S	*	*			cis	-150	-168.2	31.5	-64.3	-176.8	126.5	0	0	116.6
778	E	30.6	Very low	31.2	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	79%	0.789	S	S	*	*			trans	-116.7	0	-162.7	-64.4	-74.1	-174.4	0	0	114.4
779	P	48	Very low	31.2	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	78%	0.782	S	S	*	*				0	-154.5	0	47.9	-24.3	0	0	0	119
780	E	36	Very low	31.5	Very low	190 Å²	190	141 Å²	141	89%	0.888	78%	0.78	S	S	*	*			trans	-93.3	-165.4	178.3	-58.2	-168.1	93.8	0	0	115.4
781	D	32.8	Very low	31.5	Very low	137 Å²	137	139.5 Å²	139.5	73%	0.733	77%	0.772	S	S	*	*			cis	-157.2	168.1	17.8	156.8	92.8	0	0	0	108.8
782	G	33.1	Very low	31.5	Very low	60 Å²	60	141.7 Å²	141.7	62%	0.619	77%	0.769	S	S	*	*			cis	154	-157	-3.9	0	0	0	0	0	113.7
783	R	31.8	Very low	31.4	Very low	226 Å²	226	137.6 Å²	137.6	85%	0.853	76%	0.756	S	S	*	*			trans	64.2	163.8	176.9	-67	-176.2	157.3	-147.4	-7.1	118.3
784	S	26.8	Very low	31.1	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	76%	0.76	S	S	*	*			cis	-144.4	-171.8	23.1	-55.6	0	0	0	0	114.5
785	Q	31.1	Very low	31.1	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	76%	0.756	S	S	*	*			trans	-124.7	172.2	-161.5	-60.2	174.4	-80.2	0	0	118.1
786	S	32.1	Very low	31.3	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	76%	0.764	S	S	*	*			trans	71.4	161.3	148.5	50.1	0	0	0	0	119.3
787	E	34.6	Very low	31.3	Very low	188 Å²	188	145.8 Å²	145.8	88%	0.879	76%	0.761	S	S	*	*			cis	-109.9	-142.2	4.9	-66.8	172.2	110.4	0	0	111.4
788	D	27.8	Very low	31.5	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	75%	0.754	S	S	*	*			cis	-163.7	169.3	3.1	177.4	35.5	0	0	0	110.8
789	G	26.6	Very low	31.5	Very low	64 Å²	64	142 Å²	142	66%	0.66	75%	0.748	S	S	*	*			trans	109.7	137.2	158.1	0	0	0	0	0	118.7
790	S	31.3	Very low	30.6	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	75%	0.753	S	S	*	*			trans	-144.6	176.1	-165.3	63.2	0	0	0	0	118.7
791	D	29.6	Very low	30.2	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	74%	0.742	S	S	*	*			trans	81.1	146.5	159.5	-95.5	-17.3	0	0	0	121.1
792	Q	32.3	Very low	30	Very low	127 Å²	127	140.3 Å²	140.3	59%	0.593	75%	0.752	S	S	*	*			cis	-165	137.4	-7.2	-161.4	168.2	98.3	0	0	115.6
793	T	29.7	Very low	29.8	Very low	97 Å²	97	142 Å²	142	60%	0.595	75%	0.754	S	S	*	*			trans	65.6	163.2	155.2	56.9	0	0	0	0	121.8
794	R	29.4	Very low	29.7	Very low	198 Å²	198	136.3 Å²	136.3	75%	0.747	74%	0.744	S	S	*	*			cis	-168.2	169.9	4.5	-108.5	146.5	-161.1	130.2	-5.4	107.3
795	L	26.5	Very low	29.9	Very low	121 Å²	121	140.8 Å²	140.8	63%	0.634	74%	0.743	S	S	*	*			cis	-171.2	172.9	-27.7	-130.2	-175.4	0	0	0	110.1
796	Y	28	Very low	29.8	Very low	198 Å²	198	141 Å²	141	78%	0.776	74%	0.744	S	S	*	*			trans	74.2	149.1	166.3	-58.6	-69.7	0	0	0	121.5
797	H	32.4	Very low	29.6	Very low	138 Å²	138	143.9 Å²	143.9	64%	0.639	75%	0.749	S	S	*	*			cis	-172.1	157.8	-40.2	-130.7	-91.2	0	0	0	114.1
798	H	31.7	Very low	29.3	Very low	162 Å²	162	141 Å²	141	75%	0.75	74%	0.744	S	S	*	*			trans	89.7	159.3	152.4	-78.9	-49.3	0	0	0	125
799	D	29.7	Very low	29.3	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	74%	0.744	S	S	*	*			trans	-126.1	162	-153	-73.7	-82.8	0	0	0	115.1
800	N	30.2	Very low	29.4	Very low	167 Å²	167	146.4 Å²	146.4	89%	0.893	75%	0.75	S	S	*	*			trans	166.9	142.4	133.7	-85.8	-35.9	0	0	0	109.5
801	G	27.9	Very low	29.4	Very low	65 Å²	65	147 Å²	147	67%	0.67	74%	0.743	S	S	*	*			cis	130.3	103.9	-5.4	0	0	0	0	0	113.3
802	I	27.3	Very low	29.5	Very low	181 Å²	181	149 Å²	149	93%	0.928	75%	0.748	S	S	*	*			trans	175.8	156.1	154.8	-96.3	154.3	0	0	0	111
803	S	29.3	Very low	29.4	Very low	97 Å²	97	146.3 Å²	146.3	68%	0.678	75%	0.748	S	S	*	*			trans	-148.2	164.9	177.4	-180	0	0	0	0	109.6
804	V	28.7	Very low	29.3	Very low	106 Å²	106	149.2 Å²	149.2	64%	0.642	76%	0.758	S	S	*	*			trans	167.5	110	139.6	156.1	0	0	0	0	115.3
805	R	32	Very low	29.3	Very low	211 Å²	211	143.7 Å²	143.7	80%	0.796	75%	0.75	S	S	*	*				56.1	166.2	128.4	-45.3	176.4	-137.9	-64.7	-8.8	123.6
806	H	29.2	Very low	29.4	Very low	181 Å²	181	146.5 Å²	146.5	84%	0.838	76%	0.759	S	S	*	*			trans	-90.1	171	-168.2	-66.6	72.5	0	0	0	115.4
807	I	28.4	Very low	29.3	Very low	169 Å²	169	142.5 Å²	142.5	87%	0.867	76%	0.76	S	S	*	*			trans	-162.2	159.5	132.7	-105.3	157.8	0	0	0	111.9
808	V	27.3	Very low	28.9	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	77%	0.765	S	S	*	*			trans	-130.8	149.8	179.6	170.3	0	0	0	0	109.7
809	I	28.3	Very low	28.6	Very low	170 Å²	170	142.1 Å²	142.1	87%	0.872	77%	0.771	S	S	*	*			trans	-165.4	158.8	155.9	-104.8	152.3	0	0	0	110.5
810	E	28.7	Very low	29.7	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	77%	0.77	S	S	*	*			trans	-142.7	-170.6	-169	-162.1	178.7	-137.4	0	0	110.9
811	I	31.9	Very low	30.6	Very low	128 Å²	128	137.6 Å²	137.6	66%	0.656	76%	0.759	S	S	*	*			trans	100	117.3	149.1	-77.2	167.7	0	0	0	121.2
812	E	30.4	Very low	30.6	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	76%	0.764	S	S	*	*			trans	74	157.7	140.7	-77.3	-174.7	175.7	0	0	124.4
813	A	29.9	Very low	30.6	Very low	72 Å²	72	136.5 Å²	136.5	60%	0.595	76%	0.757	S	S	*	*			cis	-167.1	-172.2	-7.9	0	0	0	0	0	114.1
814	I	27.5	Very low	30.5	Very low	158 Å²	158	136.8 Å²	136.8	81%	0.81	76%	0.758	S	S	*	*			trans	104.4	103.6	159.9	-55.7	164.4	0	0	0	113.7
815	S	29.5	Very low	30.4	Very low	82 Å²	82	137.2 Å²	137.2	57%	0.573	76%	0.762	S	S	*	*			cis	87.4	142.5	17.8	-41.4	0	0	0	0	115.9
816	H	29.5	Very low	30.2	Very low	180 Å²	180	132.1 Å²	132.1	83%	0.833	76%	0.758	S	S	*	*			cis	-112.1	-123.2	0.9	-59	-100.6	0	0	0	112.1
817	S	24.7	Very low	30.2	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	76%	0.755	S	S	*	*			cis	-157.9	-168.9	6.8	-50	0	0	0	0	107.5
818	A	24.6	Very low	30.2	Very low	88 Å²	88	125.4 Å²	125.4	73%	0.727	75%	0.747	S	S	*	*			cis	-160.5	176.7	0.9	0	0	0	0	0	110
819	F	24.9	Very low	30.4	Very low	204 Å²	204	123.9 Å²	123.9	90%	0.895	74%	0.742	S	S	*	*			trans	-162	-171.6	-175.5	-96.4	-79.3	0	0	0	111.6
820	P	53.5	Low	30.7	Very low	108 Å²	108	120.6 Å²	120.6	70%	0.701	73%	0.734	S	S	*	*			cis	-119.1	-62.1	-23.6	27.4	-17.5	0	0	0	125.6
821	P	48.5	Very low	31.1	Very low	100 Å²	100	115 Å²	115	65%	0.649	71%	0.714	S	S	*	*				-131	160.1	-117.4	41.5	-26.9	0	0	0	121.4
822	S	28.1	Very low	31.4	Very low	111 Å²	111	110.4 Å²	110.4	78%	0.776	69%	0.693	S	S	*	*			trans	63.6	140.7	142.2	58.1	0	0	0	0	122.9
823	S	28.3	Very low	31.7	Very low	112 Å²	112	105.1 Å²	105.1	78%	0.783	68%	0.675	S	S	*	*			cis	-168.3	-175.4	-6.3	63.3	0	0	0	0	109.9
824	S	27.4	Very low	31.9	Very low	102 Å²	102	103.8 Å²	103.8	71%	0.713	66%	0.662	S	S	*	*			cis	-131.3	-100.8	3.5	42.8	0	0	0	0	114.4
825	T	26.3	Very low	32.2	Very low	116 Å²	116	104 Å²	104	71%	0.712	66%	0.664	S	S	*	*			cis	-158.5	170.8	6.4	-42.2	0	0	0	0	110.6
826	S	27.3	Very low	32.9	Very low	104 Å²	104	105.1 Å²	105.1	73%	0.727	67%	0.669	S	S	*	*			trans	-64.1	156	176.7	53.2	0	0	0	0	114.8
827	S	28.5	Very low	32.9	Very low	109 Å²	109	101.9 Å²	101.9	76%	0.762	67%	0.667	S	S	*	*			cis	175.6	163.2	-4.4	46.6	0	0	0	0	108.6
828	S	29.3	Very low	33.4	Very low	100 Å²	100	102.6 Å²	102.6	70%	0.699	67%	0.672	S	S	*	*			cis	-173.3	175.1	-18.2	55.8	0	0	0	0	111
829	S	31.7	Very low	33.8	Very low	94 Å²	94	103.5 Å²	103.5	66%	0.657	67%	0.673	S	S	*	*			trans	55.4	110	148.8	56.1	0	0	0	0	123.9
830	S	34.4	Very low	34.1	Very low	101 Å²	101	101.8 Å²	101.8	71%	0.706	67%	0.672	S	S	*	*			trans	59.2	150.2	136	52.7	0	0	0	0	123.3	S651	S651-S830 PolarHBondContact OG-O 3.23Å
831	S	37.3	Very low	33.1	Very low	54 Å²	54	101.5 Å²	101.5	38%	0.378	67%	0.672	S	S	.	*			cis	178.4	142.7	-22.2	52	0	0	0	0	114.6	P575 S651	P575-S831 WeakPolarHBondContact CG-O 3.46Å; S651-S831 VanDerWaalsContact CA-O 3.29Å; S651-S831 WeakPolarHBondContact CA-O 3.49Å; S651-S831 VanDerWaalsContact CB-O 3.31Å; S651-S831 WeakPolarHBondContact CB-O 3.26Å; S651-S831 PolarHBondContact OG-N 3.37Å; S651-S831 PolarHBondContact OG-O 3.27Å; S651-S831 VanDerWaalsContact OG-O 3.07Å
832	S	37.4	Very low	32.3	Very low	32 Å²	32	100.6 Å²	100.6	22%	0.224	67%	0.669	C	S	.	*			trans	97.2	-175.1	175.5	68.3	0	0	0	0	118.6	L650 S651 F652 P653	L650-S832 CarbonylContact C-O 3.43Å; L650-S832 WeakPolarHBondContact CA-O 3.39Å; L650-S832 WeakPolarHBondContact CB-O 3.04Å; L650-S832 WeakPolarHBondContact CD2-O 3.27Å; S651-S832 CarbonylContact C-O 3.5Å; S651-S832 WeakPolarHBondContact CA-O 3.47Å; S651-S832 PolarHBondContact N-O 3.46Å; F652-S832 WeakPolarHBondContact CB-OG 3.33Å; F652-S832 PolarHBondContact N-OG 2.81Å; P653-S832 WeakPolarHBondContact CD-OG 3.33Å
833	S	37	Very low	32.5	Very low	66 Å²	66	103.9 Å²	103.9	46%	0.462	67%	0.672	S	S	.	*			trans	-177.2	138.6	177.9	52.5	0	0	0	0	119.1	S651	S651-S833 VanDerWaalsContact O-CA 3.24Å; S651-S833 WeakPolarHBondContact O-CA 3.5Å
834	S	35	Very low	33.1	Very low	44 Å²	44	104 Å²	104	31%	0.308	67%	0.67	S	S	.	*			trans	-167.6	124.7	165.5	68	0	0	0	0	121.1	F652	F652-S834 WeakPolarHBondContact CD1-OG 3.33Å; F652-S834 VanDerWaalsContact CE1-OG 3.26Å; F652-S834 WeakPolarHBondContact CE1-OG 3.35Å
835	L	32.3	Very low	33.3	Very low	163 Å²	163	105.3 Å²	105.3	85%	0.853	67%	0.673	S	S	*	*				55.4	166.6	128	-65.8	176.5	0	0	0	124.2
836	P	44	Very low	33.5	Very low	106 Å²	106	106.6 Å²	106.6	69%	0.688	67%	0.671	S	S	*	*			cis	-141	166.7	-18.1	36	-14.7	0	0	0	119.9
837	S	30.5	Very low	33.7	Very low	112 Å²	112	110.9 Å²	110.9	78%	0.783	68%	0.68	S	S	*	*			trans	49.3	121.6	144.6	62.7	0	0	0	0	127.4
838	S	34.3	Very low	33.9	Very low	129 Å²	129	112.2 Å²	112.2	90%	0.902	68%	0.678	S	S	*	*			trans	-172.7	167.1	157	56.2	0	0	0	0	116
839	S	32.7	Very low	34.1	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	68%	0.683	S	S	*	*			trans	-171.2	172.4	176.5	67.2	0	0	0	0	119.6
840	L	32.4	Very low	34	Very low	167 Å²	167	119.5 Å²	119.5	87%	0.874	69%	0.691	S	S	*	*			trans	73.2	167.9	161.9	-61.4	171.2	0	0	0	121
841	S	31.9	Very low	34.9	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	70%	0.699	S	S	*	*			cis	173.3	160.4	-36.7	-175.5	0	0	0	0	111.6
842	S	32.1	Very low	34.3	Very low	82 Å²	82	125.3 Å²	125.3	57%	0.573	72%	0.719	S	S	*	*			cis	-168.4	163.2	-49.4	60.9	0	0	0	0	114.1
843	Q	32	Very low	34.5	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	74%	0.738	S	S	*	*			trans	72.6	-179.9	165.6	-49.7	168.1	68.6	0	0	118.8
844	P	40.9	Very low	34.2	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	76%	0.756	S	S	*	*			cis	-141.2	-170.4	-12	30	-3.5	0	0	0	118.4
845	V	31.5	Very low	34.6	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	77%	0.772	S	S	*	*			trans	93	99.3	154.3	-164.4	0	0	0	0	125.4
846	Q	31.3	Very low	35	Very low	142 Å²	142	133.5 Å²	133.5	66%	0.664	76%	0.763	S	S	*	*				33.4	121.1	126.5	-161.6	167.1	14	0	0	126.4	S634	S634-Q846 PolarHBondContact OG-NE2 3Å; S634-Q846 VanDerWaalsContact OG-NE2 3.11Å; S634-Q846 PolarHBondContact OG-OE1 3.34Å
847	Q	31.6	Very low	34.3	Very low	195 Å²	195	136 Å²	136	91%	0.911	77%	0.77	S	S	*	*			trans	-157.3	-167.9	147.4	-134.5	178.2	14.2	0	0	114.5
848	D	32.9	Very low	34.1	Very low	136 Å²	136	138.5 Å²	138.5	73%	0.727	77%	0.774	S	S	*	*			trans	-122.3	148.1	-151.1	-108.4	-41.5	0	0	0	118.6
849	H	32.4	Very low	34.4	Very low	173 Å²	173	137.5 Å²	137.5	80%	0.801	76%	0.764	S	S	*	*			trans	32.2	121	153.3	-70.1	68.4	0	0	0	119.9
850	Q	29.3	Very low	34	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.813	77%	0.767	S	S	*	*				-176.6	123.1	76.8	164.2	177.3	72.7	0	0	109.9	E852	Q850-E852 VanDerWaalsContact O-CG 3.3Å; Q850-E852 WeakPolarHBondContact O-CG 3.45Å; Q850-E852 PolarHBondContact O-N 3.12Å
851	A	54.6	Low	33.8	Very low	107 Å²	107	136.5 Å²	136.5	88%	0.884	76%	0.758	S	S	*	*				-93.6	48.7	-79.8	0	0	0	0	0	109.1
852	E	25.2	Very low	33.5	Very low	171 Å²	171	137.3 Å²	137.3	80%	0.799	76%	0.764	S	S	*	*			trans	-69.1	163.7	-161.5	-83	-78.6	101.3	0	0	115.8	Q850	Q850-E852 VanDerWaalsContact O-CG 3.3Å; Q850-E852 WeakPolarHBondContact O-CG 3.45Å; Q850-E852 PolarHBondContact O-N 3.12Å
853	P	40.2	Very low	33.1	Very low	97 Å²	97	138.6 Å²	138.6	63%	0.63	77%	0.773	S	S	*	*			trans	-116.8	-158.2	-159.4	44.6	-34.7	0	0	0	114.6
854	E	30.3	Very low	33.8	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	77%	0.77	S	S	*	*			trans	83.9	160	157.1	-71.8	-95.8	97.6	0	0	119.1
855	P	43.9	Very low	34.2	Very low	99 Å²	99	136.1 Å²	136.1	64%	0.643	77%	0.772	S	S	*	*			trans	-115.3	-149.6	-163.5	45.6	-34	0	0	0	111.5
856	P	41.1	Very low	33.9	Very low	104 Å²	104	134.9 Å²	134.9	68%	0.675	77%	0.769	S	S	*	*			cis	-124.2	-160.6	-32.3	25.4	-1.6	0	0	0	112
857	L	29.6	Very low	33.7	Very low	158 Å²	158	133.1 Å²	133.1	83%	0.827	77%	0.772	S	S	*	*			trans	78.3	-173.4	161.6	-48.8	174.2	0	0	0	117.7
858	L	26.5	Very low	34.3	Very low	165 Å²	165	130 Å²	130	86%	0.864	77%	0.77	S	S	*	*			trans	-153.7	-175.6	-164.9	-64	176	0	0	0	108.1
859	P	39.2	Very low	33.9	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	77%	0.769	S	S	*	*			cis	-146	-165.6	8.6	43.3	-21.5	0	0	0	117.6
860	L	25.6	Very low	33.6	Very low	155 Å²	155	131.1 Å²	131.1	81%	0.812	77%	0.772	S	S	*	*			trans	73.8	131.4	149.2	-94.8	154.2	0	0	0	122.9
861	S	27.3	Very low	33.6	Very low	99 Å²	99	130.1 Å²	130.1	69%	0.692	77%	0.772	S	S	*	*			trans	87.2	135.3	138.2	73.1	0	0	0	0	125.4
862	S	27	Very low	32.8	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	77%	0.767	S	S	*	*			trans	71	159.1	141.5	47.4	0	0	0	0	125.3
863	S	22.9	Very low	32.8	Very low	109 Å²	109	126 Å²	126	76%	0.762	76%	0.764	S	S	*	*			trans	-102.8	-175.7	-178.7	54.7	0	0	0	0	112.6
864	P	47.1	Very low	32.2	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	77%	0.771	S	S	*	*			cis	-112.8	-107.5	4.9	26.2	-0.2	0	0	0	115.1
865	P	48	Very low	32	Very low	124 Å²	124	129.1 Å²	129.1	81%	0.805	77%	0.767	S	S	*	*			cis	-120.6	-145.2	10.9	45.2	-28.9	0	0	0	115.3
866	S	25.3	Very low	31.4	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	77%	0.774	S	S	*	*			trans	-160.5	178.8	-173.8	68.5	0	0	0	0	116.1
867	S	27.4	Very low	31	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	78%	0.784	S	S	*	*			trans	84.1	164.3	156.1	-49.2	0	0	0	0	120.1
868	P	44.7	Very low	31.1	Very low	131 Å²	131	128.9 Å²	128.9	85%	0.851	78%	0.783	S	S	*	*			cis	-123.8	-142	-11.4	39.9	-21.4	0	0	0	113.6
869	S	25.1	Very low	31.6	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	76%	0.764	S	S	*	*			trans	-153.1	-177.4	-158.2	58.7	0	0	0	0	117.4
870	W	26.6	Very low	31.5	Very low	228 Å²	228	125.2 Å²	125.2	86%	0.864	77%	0.768	S	S	*	*			trans	103.3	108.7	169	-73.7	36.1	0	0	0	120.2
871	L	29	Very low	32.4	Very low	154 Å²	154	128.9 Å²	128.9	81%	0.806	77%	0.771	S	S	*	*			trans	40.3	159.9	130.7	-65.9	175	0	0	0	123.2
872	P	36.8	Very low	33.4	Very low	119 Å²	119	131 Å²	131	77%	0.773	76%	0.764	S	S	*	*			cis	-130.4	172.2	-6.4	39.9	-24.5	0	0	0	115.7
873	G	25.4	Very low	34.4	Very low	72 Å²	72	128.5 Å²	128.5	74%	0.742	75%	0.75	S	S	*	*			trans	110.5	100.4	140.8	0	0	0	0	0	121.5
874	D	26.9	Very low	35.7	Very low	147 Å²	147	128.6 Å²	128.6	79%	0.786	75%	0.747	S	S	*	*			trans	69.3	154.4	144.2	-157	22.6	0	0	0	121.9
875	R	27.5	Very low	35.9	Very low	193 Å²	193	128.9 Å²	128.9	73%	0.728	74%	0.735	S	S	*	*			trans	77.8	116.2	163.1	-57	-161.2	174.1	-174.1	-4.5	123.7
876	Q	31.6	Very low	36	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	72%	0.724	S	S	*	*				70.4	94.4	127.1	-65.1	-176.8	-45.4	0	0	122.3
877	A	31.2	Very low	37.3	Very low	107 Å²	107	129.7 Å²	129.7	88%	0.884	72%	0.72	S	S	*	*				58.1	103.4	114.5	0	0	0	0	0	122.1
878	G	32.5	Very low	38.7	Very low	79 Å²	79	129.7 Å²	129.7	81%	0.814	71%	0.709	S	S	*	*			trans	112.3	165	145.1	0	0	0	0	0	117.4
879	S	36.5	Very low	39.2	Very low	66 Å²	66	129.1 Å²	129.1	46%	0.462	70%	0.695	S	S	.	*			cis	-164.7	71.9	-13	-165.2	0	0	0	0	114.3	R882	S879-R882 PolarHBondContact OG-NE 3.23Å; S879-R882 PolarHBondContact OG-NH2 2.85Å
880	V	36.7	Very low	41	Very low	128 Å²	128	129.8 Å²	129.8	78%	0.776	69%	0.685	S	S	*	*			trans	-128.2	33.8	167.3	-150.8	0	0	0	0	114.7	R882	V880-R882 PolarHBondContact O-N 3.09Å; V880-R882 VanDerWaalsContact O-N 3.11Å
881	R	44.9	Very low	42.5	Very low	233 Å²	233	124.4 Å²	124.4	88%	0.879	67%	0.672	S	S	*	*	S	Bend	trans	-73.9	29.2	146.9	-83.7	-174.3	168.7	-179.8	-3.8	111.4
882	R	49	Very low	43.7	Very low	143 Å²	143	123.9 Å²	123.9	54%	0.54	66%	0.66	S	S	.	*			trans	-111.6	-38.1	-161.5	-154.9	-174.5	-71.5	-157.8	-1.1	113.4	S879 V880 Q886	S879-R882 PolarHBondContact OG-NE 3.23Å; S879-R882 PolarHBondContact OG-NH2 2.85Å; V880-R882 PolarHBondContact O-N 3.09Å; V880-R882 VanDerWaalsContact O-N 3.11Å; R882-Q886 WeakPolarHBondContact O-CB 3.41Å; R882-Q886 VanDerWaalsContact O-CG 3.26Å; R882-Q886 WeakPolarHBondContact O-CG 3.45Å; R882-Q886 PolarHBondContact O-N 3.36Å; R882-Q886 PolarHBondContact O-OE1 2.94Å
883	A	48.4	Very low	44.3	Very low	66 Å²	66	123.2 Å²	123.2	55%	0.545	65%	0.649	S	S	.	*	H	α-helix	trans	-67.8	-51.3	-178.2	0	0	0	0	0	113.2	Q886 L887	A883-Q886 PolarHBondContact O-N 2.61Å; A883-L887 PolarHBondContact O-N 3.31Å
884	T	50.3	Low	45.7	Very low	111 Å²	111	124.8 Å²	124.8	68%	0.681	64%	0.637	S	S	*	*	H	α-helix	trans	-67.2	-41.7	179.3	44.2	0	0	0	0	112.5	Q886 L887 E888	T884-Q886 VanDerWaalsContact C-N 3.31Å; T884-Q886 PolarHBondContact O-N 2.69Å; T884-L887 PolarHBondContact O-N 3.15Å; T884-E888 PolarHBondContact O-N 3.1Å
885	K	50.4	Low	46.8	Very low	124 Å²	124	124.1 Å²	124.1	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-61.2	-35.5	172.5	-85.6	-157	167.8	-161	0	113.2	L887 E888 Q889	K885-L887 VanDerWaalsContact C-N 3.34Å; K885-L887 PolarHBondContact O-N 3.36Å; K885-E888 PolarHBondContact O-N 3.26Å; K885-Q889 VanDerWaalsContact O-CB 3.29Å; K885-Q889 WeakPolarHBondContact O-CB 3.49Å; K885-Q889 VanDerWaalsContact O-CG 3.31Å; K885-Q889 WeakPolarHBondContact O-CG 3.27Å; K885-Q889 PolarHBondContact O-N 3.13Å
886	Q	49.7	Very low	47.7	Very low	123 Å²	123	121 Å²	121	58%	0.575	63%	0.626	S	S	*	*	H	α-helix	trans	-67.4	-32.7	177.3	-82.7	-178.7	-60.2	0	0	113	R882 A883 T884 K890	R882-Q886 WeakPolarHBondContact O-CB 3.41Å; R882-Q886 VanDerWaalsContact O-CG 3.26Å; R882-Q886 WeakPolarHBondContact O-CG 3.45Å; R882-Q886 PolarHBondContact O-N 3.36Å; R882-Q886 PolarHBondContact O-OE1 2.94Å; A883-Q886 PolarHBondContact O-N 2.61Å; T884-Q886 VanDerWaalsContact C-N 3.31Å; T884-Q886 PolarHBondContact O-N 2.69Å; Q886-K890 VanDerWaalsContact O-CB 3.27Å; Q886-K890 WeakPolarHBondContact O-CB 3.41Å; Q886-K890 PolarHBondContact O-N 3.09Å
887	L	51.9	Low	48.3	Very low	121 Å²	121	120.2 Å²	120.2	63%	0.634	62%	0.623	S	S	*	*	H	α-helix	trans	-70.7	-45.9	175.2	-165.1	68	0	0	0	111.4	A883 T884 K885 K890 L891	A883-L887 PolarHBondContact O-N 3.31Å; T884-L887 PolarHBondContact O-N 3.15Å; K885-L887 VanDerWaalsContact C-N 3.34Å; K885-L887 PolarHBondContact O-N 3.36Å; L887-K890 PolarHBondContact O-N 2.8Å; L887-L891 PolarHBondContact O-N 3.41Å; L887-L891 VanDerWaalsContact O-N 3.13Å
888	E	57.8	Low	49	Very low	106 Å²	106	119.2 Å²	119.2	50%	0.495	62%	0.615	S	S	.	*	H	α-helix	trans	-67.7	-35.4	179.7	-156.7	-163.6	148.8	0	0	112.7	T884 K885 R892	T884-E888 PolarHBondContact O-N 3.1Å; K885-E888 PolarHBondContact O-N 3.26Å; E888-R892 PolarHBondContact O-N 3.36Å; E888-R892 IonicContact OE1-CZ 3.68Å; E888-R892 IonicContact OE1-NH1 2.68Å; E888-R892 PolarHBondContact OE1-NH1 3Å; E888-R892 IonicContact OE1-NH2 3.39Å; E888-R892 PolarHBondContact OE1-NH2 3.06Å
889	Q	55.9	Low	49.5	Very low	118 Å²	118	121.6 Å²	121.6	55%	0.551	61%	0.613	S	S	*	*	H	α-helix	trans	-74.3	-30.8	173	-71	-173	-81.6	0	0	112.7	K885 R892 L893	K885-Q889 VanDerWaalsContact O-CB 3.29Å; K885-Q889 WeakPolarHBondContact O-CB 3.49Å; K885-Q889 VanDerWaalsContact O-CG 3.31Å; K885-Q889 WeakPolarHBondContact O-CG 3.27Å; K885-Q889 PolarHBondContact O-N 3.13Å; Q889-R892 PolarHBondContact O-N 2.88Å; Q889-L893 WeakPolarHBondContact O-CB 3.44Å; Q889-L893 PolarHBondContact O-N 2.76Å
890	K	62.5	Low	49.4	Very low	117 Å²	117	121.8 Å²	121.8	51%	0.509	62%	0.618	S	S	.	*	H	α-helix	trans	-68	-41.3	176.1	-166	-179.5	-176	-111.4	0	111.8	Q886 L887 R892 L893 E894	Q886-K890 VanDerWaalsContact O-CB 3.27Å; Q886-K890 WeakPolarHBondContact O-CB 3.41Å; Q886-K890 PolarHBondContact O-N 3.09Å; L887-K890 PolarHBondContact O-N 2.8Å; K890-R892 PolarHBondContact O-N 3.19Å; K890-L893 PolarHBondContact O-N 2.87Å; K890-E894 WeakPolarHBondContact CE-OE1 3.2Å; K890-E894 IonicContact NZ-OE1 2.69Å; K890-E894 PolarHBondContact NZ-OE1 3.39Å; K890-E894 PolarHBondContact O-N 3.45Å
891	L	57.8	Low	49.4	Very low	115 Å²	115	124.5 Å²	124.5	60%	0.602	62%	0.623	S	S	*	*	H	α-helix	trans	-64.1	-36.1	174.5	-86.6	160.9	0	0	0	112.9	L887 L895	L887-L891 PolarHBondContact O-N 3.41Å; L887-L891 VanDerWaalsContact O-N 3.13Å; L891-L895 PolarHBondContact O-N 2.89Å
892	R	53.3	Low	48.8	Very low	144 Å²	144	125 Å²	125	54%	0.543	62%	0.624	S	S	.	*	H	α-helix	trans	-68.2	-41.1	170.7	-74.2	-166.4	178	88.7	-3.4	112.4	E888 Q889 K890 L895 E896	E888-R892 PolarHBondContact O-N 3.36Å; E888-R892 IonicContact OE1-CZ 3.68Å; E888-R892 IonicContact OE1-NH1 2.68Å; E888-R892 PolarHBondContact OE1-NH1 3Å; E888-R892 IonicContact OE1-NH2 3.39Å; E888-R892 PolarHBondContact OE1-NH2 3.06Å; Q889-R892 PolarHBondContact O-N 2.88Å; K890-R892 PolarHBondContact O-N 3.19Å; R892-L895 PolarHBondContact O-N 3.23Å; R892-E896 PolarHBondContact O-N 3.3Å
893	L	50.9	Low	48	Very low	105 Å²	105	123.5 Å²	123.5	55%	0.55	64%	0.636	S	S	.	*	H	α-helix	trans	-66.1	-37.5	178.5	-85.4	165.5	0	0	0	113.7	Q889 K890 L895 E896 Q897	Q889-L893 WeakPolarHBondContact O-CB 3.44Å; Q889-L893 PolarHBondContact O-N 2.76Å; K890-L893 PolarHBondContact O-N 2.87Å; L893-L895 VanDerWaalsContact C-N 3.26Å; L893-L895 PolarHBondContact O-N 2.82Å; L893-E896 PolarHBondContact O-N 2.96Å; L893-Q897 WeakPolarHBondContact O-CB 3.26Å; L893-Q897 PolarHBondContact O-N 2.96Å
894	E	54	Low	47.7	Very low	105 Å²	105	125.6 Å²	125.6	49%	0.491	64%	0.644	S	S	.	*	H	α-helix	trans	-67.1	-28	174.6	-77.1	173.6	175.3	0	0	111.8	K890	K890-E894 WeakPolarHBondContact CE-OE1 3.2Å; K890-E894 IonicContact NZ-OE1 2.69Å; K890-E894 PolarHBondContact NZ-OE1 3.39Å; K890-E894 PolarHBondContact O-N 3.45Å
895	L	50.9	Low	46.7	Very low	132 Å²	132	127.1 Å²	127.1	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-77.7	-40.4	173.5	-169.8	62.4	0	0	0	112.9	L891 R892 L893	L891-L895 PolarHBondContact O-N 2.89Å; R892-L895 PolarHBondContact O-N 3.23Å; L893-L895 VanDerWaalsContact C-N 3.26Å; L893-L895 PolarHBondContact O-N 2.82Å
896	E	46.4	Very low	45.6	Very low	128 Å²	128	129.9 Å²	129.9	60%	0.598	66%	0.661	S	S	*	*	H	α-helix	trans	-71.8	-34.3	176.4	-71.8	-177.7	123	0	0	112.7	R892 L893 A898 V899 A900	R892-E896 PolarHBondContact O-N 3.3Å; L893-E896 PolarHBondContact O-N 2.96Å; E896-A898 PolarHBondContact O-N 3.12Å; E896-V899 PolarHBondContact O-N 2.71Å; E896-A900 PolarHBondContact O-N 3.4Å
897	Q	42.9	Very low	44.8	Very low	154 Å²	154	129.1 Å²	129.1	72%	0.72	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-17.1	179	-171.9	158.1	82.8	0	0	113.1	L893	L893-Q897 WeakPolarHBondContact O-CB 3.26Å; L893-Q897 PolarHBondContact O-N 2.96Å
898	A	45.5	Very low	44.7	Very low	86 Å²	86	129.7 Å²	129.7	71%	0.711	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-19.5	170.5	0	0	0	0	0	113.8	E896	E896-A898 PolarHBondContact O-N 3.12Å
899	V	43.2	Very low	43.2	Very low	129 Å²	129	128 Å²	128	78%	0.782	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-22.6	-175.4	-177	0	0	0	0	112.2	E896	E896-V899 PolarHBondContact O-N 2.71Å
900	A	35.1	Very low	41.9	Very low	69 Å²	69	129.5 Å²	129.5	57%	0.57	71%	0.709	S	S	*	*			trans	-107.3	37.4	-168.5	0	0	0	0	0	116.4	E896	E896-A900 PolarHBondContact O-N 3.4Å
901	Q	36.9	Very low	40.4	Very low	186 Å²	186	131.8 Å²	131.8	87%	0.869	72%	0.722	S	S	*	*			trans	-103	67.6	159.6	-84.2	-143.3	19.5	0	0	112.5
902	R	31.8	Very low	40	Very low	243 Å²	243	131.4 Å²	131.4	92%	0.917	73%	0.726	S	S	*	*			trans	-160.1	71.6	153.7	-116	176.9	-168.8	-163.8	3.7	112.2
903	S	32.6	Very low	40.2	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	73%	0.733	S	S	*	*			trans	-102.4	120.3	171.8	-57.9	0	0	0	0	110.6
904	P	41.5	Very low	40.3	Very low	110 Å²	110	130.1 Å²	130.1	71%	0.714	74%	0.743	S	S	*	*			trans	-88.1	154.4	168.5	35.1	-32.5	0	0	0	111.2
905	L	29.1	Very low	39	Very low	144 Å²	144	132.7 Å²	132.7	75%	0.754	76%	0.759	S	S	*	*				179.1	147.9	117.8	-97.5	164.5	0	0	0	114.6
906	H	28.4	Very low	38	Very low	181 Å²	181	137.2 Å²	137.2	84%	0.838	77%	0.767	S	S	*	*			trans	67.1	143.9	159.1	-72.3	-29.3	0	0	0	122.6
907	S	33.3	Very low	37.7	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	78%	0.775	S	S	*	*			trans	-139.3	159.9	178.4	52.8	0	0	0	0	109.2
908	P	48.7	Very low	36.9	Very low	133 Å²	133	133.5 Å²	133.5	86%	0.864	77%	0.774	S	S	*	*			trans	-130.6	159.8	136.1	37.1	-28.5	0	0	0	111.2
909	G	27.8	Very low	36.8	Very low	71 Å²	71	135 Å²	135	73%	0.732	78%	0.777	S	S	*	*			cis	149.5	85.7	-6.2	0	0	0	0	0	112.9
910	T	26.8	Very low	36.1	Very low	148 Å²	148	133.2 Å²	133.2	91%	0.908	77%	0.77	S	S	*	*			trans	-147.2	147.7	172.9	-39.3	0	0	0	0	111.5
911	E	32.8	Very low	35.6	Very low	165 Å²	165	134.7 Å²	134.7	77%	0.771	78%	0.777	S	S	*	*			trans	-100.2	-176.2	-178.3	-124.4	-152.8	108	0	0	110.9
912	P	47.4	Very low	35.2	Very low	107 Å²	107	133.6 Å²	133.6	70%	0.695	78%	0.776	S	S	*	*			cis	-132.5	-143.4	5.5	47.6	-27.1	0	0	0	113.2
913	P	59.3	Low	34.7	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	77%	0.769	S	S	*	*			trans	-108.3	174.5	-134.6	3.3	26.1	0	0	0	113.8
914	P	53	Low	35.1	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	77%	0.767	S	S	*	*			cis	-140.6	-159.4	48.1	46.7	-27	0	0	0	113.7
915	L	26.8	Very low	34.4	Very low	159 Å²	159	131.5 Å²	131.5	83%	0.832	77%	0.773	S	S	*	*			cis	-149.5	-167.7	13.2	-130.4	-167.5	0	0	0	112
916	R	28.7	Very low	34.5	Very low	227 Å²	227	132.2 Å²	132.2	86%	0.857	78%	0.777	S	S	*	*			trans	-154.1	173.7	177.5	-99.9	-173.3	-179.7	177.8	1.3	109.3
917	P	41	Very low	35.9	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	78%	0.775	S	S	*	*			cis	-129.1	-178.2	5.4	39.7	-22.3	0	0	0	115.4
918	A	25.8	Very low	36.7	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	77%	0.772	S	S	*	*			trans	-85.7	-154.9	156.1	0	0	0	0	0	109.4
919	P	43.8	Very low	35.6	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	77%	0.768	S	S	*	*			cis	-129	-158.4	27.9	30.4	-2.8	0	0	0	111.3
920	S	27	Very low	35.6	Very low	91 Å²	91	133 Å²	133	64%	0.636	77%	0.766	S	S	*	*			cis	-157.5	138.5	12.8	-28.8	0	0	0	0	109.2
921	S	26.1	Very low	35.5	Very low	100 Å²	100	132 Å²	132	70%	0.699	76%	0.755	S	S	*	*				70.3	142.9	97	84	0	0	0	0	116
922	L	26.9	Very low	35.2	Very low	163 Å²	163	128.7 Å²	128.7	85%	0.853	75%	0.75	S	S	*	*			cis	-144.1	164.7	23	-80.4	169.1	0	0	0	113.7
923	T	22.2	Very low	34.3	Very low	127 Å²	127	134 Å²	134	78%	0.779	76%	0.756	S	S	*	*			trans	-92.5	-154.3	161.4	56.2	0	0	0	0	108.6
924	P	41	Very low	32.7	Very low	111 Å²	111	134.8 Å²	134.8	72%	0.721	75%	0.754	S	S	*	*			cis	-117.6	-162.8	8.9	38.7	-15.1	0	0	0	111.1
925	E	25.9	Very low	31.4	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	76%	0.758	S	S	*	*			cis	-124.4	-164.5	9.7	-64.6	-170	102.7	0	0	113.2
926	L	32	Very low	31.3	Very low	159 Å²	159	133.3 Å²	133.3	83%	0.832	75%	0.752	S	S	*	*			trans	-142.1	125.3	-158.5	-67.4	163.3	0	0	0	112.2
927	P	56.9	Low	31.2	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	75%	0.748	S	S	*	*			trans	-96	132.1	-176.7	34.3	-32.8	0	0	0	114.9
928	P	49.9	Very low	30.5	Very low	106 Å²	106	132 Å²	132	69%	0.688	75%	0.745	S	S	*	*			trans	-88	177.6	154	39.2	-34.3	0	0	0	110.1
929	L	26.4	Very low	30.5	Very low	148 Å²	148	133.4 Å²	133.4	78%	0.775	75%	0.745	S	S	*	*			cis	-117.8	172.6	3	-68.4	162.4	0	0	0	108.6
930	L	27.3	Very low	29.6	Very low	131 Å²	131	135.2 Å²	135.2	69%	0.686	75%	0.748	S	S	*	*			cis	73.5	129.4	29	-49.8	177.6	0	0	0	113.7
931	D	24.7	Very low	29.5	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	75%	0.751	S	S	*	*			cis	-136.3	149.2	1.2	-98.5	-50.2	0	0	0	109
932	S	27.2	Very low	29.5	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	75%	0.751	S	S	*	*				71.7	114.5	68.4	-47.6	0	0	0	0	116.3
933	R	28.1	Very low	29.5	Very low	219 Å²	219	138.4 Å²	138.4	83%	0.826	75%	0.745	S	S	*	*			trans	85.8	124.7	148.1	-73.5	-173.3	128	128.2	6	123.9
934	D	25.7	Very low	29.8	Very low	121 Å²	121	139.9 Å²	139.9	65%	0.647	74%	0.743	S	S	*	*				76	142	123.5	-58.7	-23.7	0	0	0	123.8
935	L	26	Very low	29	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	74%	0.742	S	S	*	*			trans	62.9	104.3	158.9	-92.3	71.7	0	0	0	122.1
936	A	24.9	Very low	29	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	74%	0.741	S	S	*	*				52.3	148.1	103.9	0	0	0	0	0	123
937	E	26.7	Very low	28.7	Very low	165 Å²	165	136.2 Å²	136.2	77%	0.771	73%	0.731	S	S	*	*			trans	68.5	157.2	164.5	-53.4	-151.4	112	0	0	116.6
938	Q	25.5	Very low	27.3	Very low	152 Å²	152	138.5 Å²	138.5	71%	0.71	73%	0.729	S	S	*	*			cis	-166	-177.6	-27.4	-103.9	-156.7	61.7	0	0	106.1
939	T	26.1	Very low	26.1	Very low	115 Å²	115	140.5 Å²	140.5	71%	0.706	73%	0.729	S	S	*	*			trans	81.2	116.6	162.7	-32.3	0	0	0	0	115.1
940	L	24.9	Very low	26.1	Very low	158 Å²	158	138 Å²	138	83%	0.827	73%	0.729	S	S	*	*				79.2	156.4	60.6	-99.8	159.3	0	0	0	115
941	T	25.3	Very low	26.1	Very low	115 Å²	115	140.9 Å²	140.9	71%	0.706	74%	0.737	S	S	*	*			trans	67.1	151.7	175.3	61	0	0	0	0	118.1
942	Q	26.9	Very low	26.2	Very low	149 Å²	149	142.5 Å²	142.5	70%	0.696	74%	0.74	S	S	*	*			cis	-169.1	146.2	-21.4	170.6	169	4.7	0	0	110.9
943	E	25.8	Very low	27	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	74%	0.735	S	S	*	*			trans	30.1	168.5	156.4	-64.8	175	109.9	0	0	125.8
944	E	28.1	Very low	26.9	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.734	74%	0.736	S	S	*	*			trans	79.6	95.4	152.6	-66	-120.8	83.2	0	0	122
945	N	25.7	Very low	26.8	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	74%	0.743	S	S	*	*				63	134.6	108.6	-74.3	-35.5	0	0	0	124
946	M	24.2	Very low	26.7	Very low	168 Å²	168	135.6 Å²	135.6	83%	0.828	75%	0.745	S	S	*	*			trans	77.3	96.2	140.8	-74.2	-175.6	62.4	0	0	123
947	A	27.4	Very low	27.6	Very low	77 Å²	77	137.5 Å²	137.5	64%	0.636	75%	0.75	S	S	*	*				101.9	151.7	99.6	0	0	0	0	0	121.8
948	K	26.7	Very low	27.5	Very low	172 Å²	172	136.3 Å²	136.3	75%	0.748	75%	0.749	S	S	*	*			trans	74.8	146.8	159.5	-71.5	160.6	166.5	-86	0	117
949	E	24.6	Very low	27.6	Very low	148 Å²	148	134.6 Å²	134.6	69%	0.692	75%	0.749	S	S	*	*			cis	-157.4	139.7	-2.1	-135.5	155.7	-143.7	0	0	113.9
950	A	26.8	Very low	27.6	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	75%	0.751	S	S	*	*			trans	59.2	163.1	154.9	0	0	0	0	0	119.1
951	K	26.6	Very low	27.7	Very low	193 Å²	193	136.2 Å²	136.2	84%	0.839	75%	0.747	S	S	*	*			cis	-157	120.8	11.8	-158.4	170	-177.5	175.4	0	113
952	E	26.6	Very low	27.6	Very low	161 Å²	161	135.2 Å²	135.2	75%	0.752	75%	0.745	S	S	*	*				11.1	154	126.9	-79.7	-80.6	89.8	0	0	120.8
953	P	44.7	Very low	27.5	Very low	87 Å²	87	138.8 Å²	138.8	57%	0.565	75%	0.752	S	S	*	*			cis	-147.4	-176	-1	42.9	-23.5	0	0	0	118.1
954	N	24.9	Very low	27.5	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	76%	0.756	S	S	*	*			trans	67.6	137.3	144.1	-70.4	-28.4	0	0	0	123.6
955	G	25.2	Very low	28.3	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	76%	0.757	S	S	*	*			trans	143.7	91.3	133.7	0	0	0	0	0	120
956	C	23	Very low	28.4	Very low	129 Å²	129	133.6 Å²	133.6	87%	0.872	76%	0.756	S	S	*	*			trans	-72.3	160.6	143.6	-68.2	0	0	0	0	108.8
957	P	43.3	Very low	28.5	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	75%	0.753	S	S	*	*				-155	-157.3	50.4	45.5	-22.4	0	0	0	117
958	D	25.8	Very low	28.6	Very low	140 Å²	140	135.4 Å²	135.4	75%	0.749	76%	0.757	S	S	*	*			trans	-70.6	163.4	-173.8	-68.9	-79.6	0	0	0	119.6
959	T	27.7	Very low	28.7	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	76%	0.757	S	S	*	*			trans	76.6	128.7	141.1	46.9	0	0	0	0	124.6
960	H	26.3	Very low	29	Very low	161 Å²	161	133.9 Å²	133.9	75%	0.745	76%	0.758	S	S	*	*			trans	75.3	122.9	132.3	-76.9	-50	0	0	0	125.1
961	I	26.7	Very low	29.2	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	76%	0.755	S	S	*	*			trans	76	115.6	132.5	-61.7	165.4	0	0	0	119.9
962	S	23.5	Very low	29.4	Very low	94 Å²	94	130 Å²	130	66%	0.657	75%	0.745	S	S	*	*				160.4	143.2	110.2	-157.2	0	0	0	0	116.1
963	R	24.9	Very low	29.4	Very low	225 Å²	225	127.4 Å²	127.4	85%	0.849	75%	0.745	S	S	*	*			trans	25.8	131.9	150.6	-66.2	171.7	171.5	161.7	-2.9	121.8
964	V	24.4	Very low	28.4	Very low	135 Å²	135	131 Å²	131	82%	0.818	76%	0.758	S	S	*	*				70.2	135.9	54.1	174.3	0	0	0	0	112.7
965	P	45.3	Very low	28.5	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	76%	0.755	S	S	*	*			cis	-137.2	-173.5	15.1	38.6	-17.8	0	0	0	118.3
966	A	27.4	Very low	28.6	Very low	83 Å²	83	130.3 Å²	130.3	69%	0.686	75%	0.749	S	S	*	*			trans	110.7	123.4	133.3	0	0	0	0	0	122.4
967	D	27.6	Very low	29.2	Very low	141 Å²	141	130.5 Å²	130.5	75%	0.754	75%	0.746	S	S	*	*			trans	67.5	119.8	137.9	-62.4	-4.8	0	0	0	124.9
968	I	29.7	Very low	28.5	Very low	143 Å²	143	129.3 Å²	129.3	73%	0.733	75%	0.747	S	S	*	*			trans	70.7	126.2	136.6	-63.9	171.6	0	0	0	117.4
969	M	27.2	Very low	28.7	Very low	150 Å²	150	131.1 Å²	131.1	74%	0.739	75%	0.751	S	S	*	*			cis	-159.8	166.2	-9.1	-110.5	-174.1	-175.9	0	0	108.1
970	L	31.3	Very low	28.9	Very low	137 Å²	137	132.3 Å²	132.3	72%	0.717	75%	0.752	S	S	*	*			cis	-127.2	-59.6	1.3	-149.6	175.8	0	0	0	110.6
971	T	30.7	Very low	28.8	Very low	116 Å²	116	133.4 Å²	133.4	71%	0.712	76%	0.757	S	S	*	*			cis	-168.5	150	-29.6	21.9	0	0	0	0	106.9
972	S	30.8	Very low	28.8	Very low	92 Å²	92	132 Å²	132	64%	0.643	76%	0.761	S	S	*	*			cis	174.3	133.3	-46.7	45.8	0	0	0	0	108.5
973	S	26.3	Very low	28.9	Very low	106 Å²	106	133 Å²	133	74%	0.741	77%	0.768	S	S	*	*			cis	-163.2	144.4	-9.9	-76	0	0	0	0	107.8
974	L	25.1	Very low	29.1	Very low	162 Å²	162	129.1 Å²	129.1	85%	0.848	76%	0.763	S	S	*	*			cis	-150.1	133.4	-8.7	-107.5	165.6	0	0	0	108.7
975	T	25.9	Very low	29.2	Very low	125 Å²	125	129.8 Å²	129.8	77%	0.767	76%	0.757	S	S	*	*			trans	-129.1	-173.4	169.4	55.4	0	0	0	0	109.3
976	S	28.9	Very low	28.3	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	76%	0.759	S	S	*	*			trans	79.1	122	172.2	-55.3	0	0	0	0	115.1
977	T	35.4	Very low	28.2	Very low	132 Å²	132	131.8 Å²	131.8	81%	0.81	76%	0.763	S	S	*	*			cis	72.8	124.4	41.7	76.1	0	0	0	0	114.6
978	A	28.1	Very low	28.2	Very low	101 Å²	101	129.2 Å²	129.2	84%	0.835	76%	0.762	S	S	*	*			trans	-160.1	128.4	145.2	0	0	0	0	0	110.5
979	E	29.4	Very low	28	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	77%	0.769	S	S	*	*			trans	-79.9	173.2	151.6	-53.3	-178.6	119.9	0	0	107.9
980	L	31.3	Very low	28	Very low	140 Å²	140	131.2 Å²	131.2	73%	0.733	77%	0.767	S	S	*	*			cis	-163.4	-179.6	14.4	-141.7	161.1	0	0	0	108.2
981	Q	26	Very low	27.8	Very low	184 Å²	184	128.9 Å²	128.9	86%	0.86	76%	0.762	S	S	*	*			trans	78.1	159.3	165.3	-61.2	-168.2	-7.4	0	0	119.2
982	S	26.4	Very low	27.6	Very low	117 Å²	117	133.8 Å²	133.8	82%	0.818	77%	0.767	S	S	*	*			trans	-144.8	136.5	-160	57.5	0	0	0	0	112.5
983	S	25.8	Very low	27.4	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	77%	0.768	S	S	*	*			trans	-159.1	109	148.2	-160.7	0	0	0	0	113.6
984	L	28.1	Very low	27.3	Very low	143 Å²	143	136.9 Å²	136.9	75%	0.749	77%	0.768	S	S	*	*			trans	25.3	144.5	141.9	-70.1	168.6	0	0	0	124.4
985	H	26.2	Very low	27.5	Very low	149 Å²	149	137.7 Å²	137.7	69%	0.69	77%	0.767	S	S	*	*			trans	84.2	99.9	148.1	-71.5	-56.7	0	0	0	122.7
986	T	26.7	Very low	28.3	Very low	129 Å²	129	137.3 Å²	137.3	79%	0.791	77%	0.766	S	S	*	*			trans	70.1	151.1	135.4	64.9	0	0	0	0	118.7
987	S	24.3	Very low	28.2	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	77%	0.77	S	S	*	*			cis	-147.8	-179.7	14.4	-157.8	0	0	0	0	113.5
988	A	27.7	Very low	27.8	Very low	87 Å²	87	138 Å²	138	72%	0.719	77%	0.766	S	S	*	*			trans	-17.7	154	172.1	0	0	0	0	0	118.9
989	R	26	Very low	27.7	Very low	237 Å²	237	141.4 Å²	141.4	89%	0.894	76%	0.764	S	S	*	*				-176.1	122.4	64.5	-173.5	176.7	-168.9	174.6	3.8	116.4
990	S	27.5	Very low	27.6	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	76%	0.761	S	S	*	*			trans	52.5	101.9	137.5	-147.7	0	0	0	0	123.3
991	S	26.8	Very low	27.3	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	76%	0.761	S	S	*	*				75.3	149.3	114.4	75.2	0	0	0	0	124.1
992	R	27.2	Very low	27.3	Very low	220 Å²	220	137 Å²	137	83%	0.83	76%	0.76	S	S	*	*			trans	85.1	144.7	160.7	-55.2	-177.2	-169.2	-136	0.1	116.2
993	L	25.9	Very low	27.4	Very low	127 Å²	127	142.4 Å²	142.4	67%	0.665	76%	0.763	S	S	*	*			cis	-160.9	163.8	-12.5	-112.2	170.9	0	0	0	110.4
994	D	25.1	Very low	28.3	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	76%	0.761	S	S	*	*			trans	66.2	147	152.1	-62.5	-41.2	0	0	0	124.5
995	H	29.3	Very low	28.4	Very low	179 Å²	179	140.3 Å²	140.3	83%	0.829	76%	0.763	S	S	*	*			trans	-86.3	179.2	162.4	-86.5	30	0	0	0	109.2
996	P	42.5	Very low	28.5	Very low	116 Å²	116	137.2 Å²	137.2	75%	0.753	76%	0.763	S	S	*	*			cis	-161.8	178.2	34.1	49.3	-27.3	0	0	0	121.6
997	N	27.5	Very low	28.5	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	77%	0.766	S	S	*	*			trans	70.3	156.8	139.6	-136.7	-0.7	0	0	0	124.8
998	S	26.1	Very low	28.7	Very low	102 Å²	102	140 Å²	140	71%	0.713	76%	0.764	S	S	*	*			trans	74.9	151.7	150.3	74.5	0	0	0	0	120.1
999	Q	26.1	Very low	28.7	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	77%	0.767	S	S	*	*			cis	-173.7	149.7	-36.7	-123.5	-179	1.2	0	0	110.5
1000	S	27.2	Very low	28.8	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	76%	0.762	S	S	*	*			trans	61.4	174.4	159.3	80.4	0	0	0	0	116.9
1001	T	24.6	Very low	28.9	Very low	117 Å²	117	137 Å²	137	72%	0.718	76%	0.759	S	S	*	*			cis	-139.3	170.3	-16.9	-19.1	0	0	0	0	106.3
1002	Q	26.2	Very low	29.1	Very low	182 Å²	182	139 Å²	139	85%	0.85	77%	0.767	S	S	*	*				177.5	169.5	65	-137.9	165.1	39.3	0	0	111
1003	R	29	Very low	29.4	Very low	231 Å²	231	134.3 Å²	134.3	87%	0.872	76%	0.763	S	S	*	*			trans	-125.8	157.2	173.7	-139.2	-179.2	-168.8	-179.6	3.9	107.3
1004	P	45.4	Very low	29.9	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	76%	0.761	S	S	*	*				-159.5	166	97.4	41.4	-22.6	0	0	0	118.4
1005	A	29.5	Very low	30.2	Very low	96 Å²	96	133.4 Å²	133.4	79%	0.793	76%	0.764	S	S	*	*			trans	51.4	151.7	135.8	0	0	0	0	0	123.9
1006	A	29	Very low	30.2	Very low	84 Å²	84	133 Å²	133	69%	0.694	76%	0.762	S	S	*	*			cis	-175	-178.6	-17.8	0	0	0	0	0	111.4
1007	L	25.8	Very low	29.7	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	76%	0.758	S	S	*	*			trans	88.2	152.1	163.9	-51.6	173.6	0	0	0	119.2
1008	N	27.8	Very low	29.9	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	76%	0.757	S	S	*	*				-164.7	174.8	-55.6	-134	1	0	0	0	112.4
1009	L	28	Very low	30.2	Very low	152 Å²	152	133.8 Å²	133.8	80%	0.796	76%	0.755	S	S	*	*			trans	76.1	145.9	171.2	-64.1	119.6	0	0	0	118
1010	D	29.5	Very low	30.5	Very low	147 Å²	147	133.5 Å²	133.5	79%	0.786	76%	0.759	S	S	*	*			cis	-166.6	164.6	-33.8	-138.2	-42.3	0	0	0	111.3
1011	G	28	Very low	30.4	Very low	59 Å²	59	131.9 Å²	131.9	61%	0.608	76%	0.759	S	S	*	*			trans	112.6	93.9	170.4	0	0	0	0	0	115.5
1012	V	30.6	Very low	30.6	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	77%	0.766	S	S	*	*				75.9	115.9	77.5	170.1	0	0	0	0	112.5
1013	T	34	Very low	31.6	Very low	120 Å²	120	128.7 Å²	128.7	74%	0.736	76%	0.758	S	S	*	*			cis	-161.3	156.2	2.6	14.2	0	0	0	0	111.8
1014	A	36.7	Very low	31.7	Very low	76 Å²	76	125.1 Å²	125.1	63%	0.628	75%	0.751	S	S	*	*			trans	64.4	128.7	147.5	0	0	0	0	0	120.6
1015	E	31.2	Very low	31	Very low	169 Å²	169	126.4 Å²	126.4	79%	0.79	75%	0.752	S	S	*	*			cis	-157.7	-148.8	-20.9	-137.3	72	-84.8	0	0	106
1016	E	30	Very low	30.8	Very low	170 Å²	170	125.6 Å²	125.6	79%	0.794	75%	0.752	S	S	*	*			cis	-151.5	-143.3	9	-150.7	176.8	-78.3	0	0	110
1017	T	32.6	Very low	30.8	Very low	108 Å²	108	127.7 Å²	127.7	66%	0.663	76%	0.761	S	S	*	*			trans	-147.7	170.7	-163.4	46.3	0	0	0	0	110.1
1018	E	31.7	Very low	31.8	Very low	160 Å²	160	125.6 Å²	125.6	75%	0.748	76%	0.757	S	S	*	*			cis	-167.2	175.8	-16.3	-112.1	-172.4	144.5	0	0	109.7
1019	T	31.7	Very low	32.2	Very low	109 Å²	109	127 Å²	127	67%	0.669	76%	0.759	S	S	*	*			trans	58.7	134.8	146.5	50.9	0	0	0	0	124.5
1020	D	31.1	Very low	32.4	Very low	165 Å²	165	127.1 Å²	127.1	88%	0.882	76%	0.76	S	S	*	*			trans	59.7	153.8	136.8	-71.8	-37.6	0	0	0	124
1021	G	25.8	Very low	32.6	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	75%	0.752	S	S	*	*			trans	124.6	92.1	152.5	0	0	0	0	0	117.7
1022	C	29.3	Very low	32.6	Very low	127 Å²	127	127 Å²	127	86%	0.858	77%	0.769	S	S	*	*			trans	-86.6	151.9	139.4	-124.7	0	0	0	0	106.8
1023	P	47.5	Very low	32.8	Very low	105 Å²	105	124.4 Å²	124.4	68%	0.682	77%	0.769	S	S	*	*				-152.5	174.2	50.6	43.8	-23.9	0	0	0	118.4
1024	Q	31.2	Very low	32.8	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	78%	0.78	S	S	*	*			trans	49.2	142.7	139	-78.1	-176.2	-100.1	0	0	126.1
1025	D	29.4	Very low	33.2	Very low	146 Å²	146	139 Å²	139	78%	0.781	79%	0.794	S	S	*	*			trans	69.9	146	144.8	-58.5	-14.3	0	0	0	121.8
1026	G	26.5	Very low	33.2	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	80%	0.801	S	S	*	*			trans	130.5	77.7	164.9	0	0	0	0	0	118
1027	C	28.6	Very low	33.4	Very low	129 Å²	129	131.8 Å²	131.8	87%	0.872	79%	0.788	S	S	*	*			trans	-73.3	156	151.4	-84.1	0	0	0	0	109.3
1028	P	47.1	Very low	34	Very low	118 Å²	118	134 Å²	134	77%	0.766	80%	0.804	S	S	*	*				-150.8	-155.6	51.4	44	-21.9	0	0	0	116.7
1029	Q	36.2	Very low	34.5	Very low	169 Å²	169	129 Å²	129	79%	0.79	80%	0.795	S	S	*	*			trans	-47.9	165.6	173.2	-69.9	153.4	-80.9	0	0	114.6
1030	D	32.5	Very low	35	Very low	153 Å²	153	128.6 Å²	128.6	82%	0.818	80%	0.796	S	S	*	*			cis	-152.8	174.9	35.5	-138.3	-28.6	0	0	0	114.9
1031	G	32.7	Very low	35.6	Very low	59 Å²	59	125.5 Å²	125.5	61%	0.608	78%	0.779	S	S	*	*			trans	-110.6	145.7	-165.8	0	0	0	0	0	118
1032	C	28.6	Very low	36.5	Very low	144 Å²	144	124.6 Å²	124.6	97%	0.973	77%	0.765	S	S	*	*			trans	-155.2	142.9	150.2	-101.4	0	0	0	0	110.5
1033	G	34.8	Very low	37.2	Very low	76 Å²	76	125.2 Å²	125.2	78%	0.784	76%	0.755	S	S	*	*			trans	-101.5	155.7	-161.3	0	0	0	0	0	117.3
1034	R	33.7	Very low	37	Very low	255 Å²	255	123 Å²	123	96%	0.962	74%	0.742	S	S	*	*			trans	-143.1	160.2	156.5	-74.2	-168.3	-176.6	-114.8	-3.5	110.2
1035	R	44.9	Very low	37.8	Very low	248 Å²	248	123.7 Å²	123.7	94%	0.936	74%	0.738	S	S	*	*			trans	-88.7	120.4	177	-65.5	-175.2	-176.9	-161.6	2	112
1036	C	31.9	Very low	38.6	Very low	138 Å²	138	122.2 Å²	122.2	93%	0.932	73%	0.73	S	S	*	*			trans	-164	147.7	151.8	-84.7	0	0	0	0	104.3
1037	G	34.4	Very low	39.6	Very low	50 Å²	50	122.2 Å²	122.2	52%	0.515	71%	0.714	S	S	.	*			cis	-177.6	162.2	-3.2	0	0	0	0	0	105.9	G1039	G1037-G1039 PolarHBondContact O-N 3.18Å
1038	P	44.1	Very low	40.5	Very low	153 Å²	153	124.5 Å²	124.5	99%	0.994	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	77.7	-166.7	31.1	-36.2	0	0	0	113.6
1039	G	42.2	Very low	40.5	Very low	56 Å²	56	122 Å²	122	58%	0.577	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	-23.1	176.3	0	0	0	0	0	116.1	G1037 D1041	G1037-G1039 PolarHBondContact O-N 3.18Å; G1039-D1041 VanDerWaalsContact C-N 3.29Å; G1039-D1041 PolarHBondContact O-N 2.76Å
1040	C	43.4	Very low	41.4	Very low	101 Å²	101	117.6 Å²	117.6	68%	0.682	68%	0.677	S	S	*	*	H	α-helix	trans	-78.4	-7	-172.4	-56.5	0	0	0	0	115.2	S1044	C1040-S1044 PolarHBondContact O-OG 3.22Å
1041	D	43	Very low	42.3	Very low	99 Å²	99	119.4 Å²	119.4	53%	0.529	67%	0.673	S	S	.	*	H	α-helix	trans	-81.4	-18.9	-171.5	-115	65.3	0	0	0	114.4	G1039 S1044 R1045	G1039-D1041 VanDerWaalsContact C-N 3.29Å; G1039-D1041 PolarHBondContact O-N 2.76Å; D1041-S1044 PolarHBondContact O-OG 3.46Å; D1041-R1045 WeakPolarHBondContact O-CD 3.33Å; D1041-R1045 WeakPolarHBondContact O-CG 3.44Å; D1041-R1045 PolarHBondContact O-NE 2.96Å; D1041-R1045 IonicContact OD2-CZ 3.5Å; D1041-R1045 IonicContact OD2-NE 3.56Å; D1041-R1045 PolarHBondContact OD2-NE 3.41Å; D1041-R1045 IonicContact OD2-NH2 2.59Å; D1041-R1045 PolarHBondContact OD2-NH2 3.13Å
1042	A	44.1	Very low	43.5	Very low	57 Å²	57	121.7 Å²	121.7	47%	0.471	67%	0.668	S	S	.	*	H	α-helix	trans	-81.1	-51.5	178.2	0	0	0	0	0	111.9	S1044 R1045 L1046	A1042-S1044 VanDerWaalsContact C-N 3.29Å; A1042-S1044 PolarHBondContact O-N 3.16Å; A1042-R1045 PolarHBondContact O-N 2.64Å; A1042-R1045 VanDerWaalsContact O-N 3.15Å; A1042-L1046 PolarHBondContact O-N 3.09Å
1043	Q	44.1	Very low	44.9	Very low	139 Å²	139	119.3 Å²	119.3	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-61.4	-36.7	-177.4	-132.4	70.4	0.6	0	0	112.6	T1047	Q1043-T1047 WeakPolarHBondContact O-CB 3.37Å; Q1043-T1047 WeakPolarHBondContact O-CG2 3.38Å; Q1043-T1047 PolarHBondContact O-N 3.13Å; Q1043-T1047 PolarHBondContact O-OG1 3.45Å
1044	S	43.6	Very low	45.9	Very low	59 Å²	59	119.1 Å²	119.1	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-69.7	-33.7	177.5	51.4	0	0	0	0	112.9	C1040 D1041 A1042 T1047 R1048	C1040-S1044 PolarHBondContact O-OG 3.22Å; D1041-S1044 PolarHBondContact O-OG 3.46Å; A1042-S1044 VanDerWaalsContact C-N 3.29Å; A1042-S1044 PolarHBondContact O-N 3.16Å; S1044-T1047 PolarHBondContact O-OG1 3.14Å; S1044-R1048 VanDerWaalsContact O-CB 3.24Å; S1044-R1048 WeakPolarHBondContact O-CB 3.47Å; S1044-R1048 PolarHBondContact O-N 2.77Å; S1044-R1048 VanDerWaalsContact O-N 3.16Å
1045	R	47.1	Very low	47.1	Very low	170 Å²	170	115.9 Å²	115.9	64%	0.642	61%	0.614	S	S	*	*	H	α-helix	trans	-73.4	-42.2	174.3	-68.2	169.6	-165.1	-118.1	2.9	111.8	D1041 A1042 R1048 S1049	D1041-R1045 WeakPolarHBondContact O-CD 3.33Å; D1041-R1045 WeakPolarHBondContact O-CG 3.44Å; D1041-R1045 PolarHBondContact O-NE 2.96Å; D1041-R1045 IonicContact OD2-CZ 3.5Å; D1041-R1045 IonicContact OD2-NE 3.56Å; D1041-R1045 PolarHBondContact OD2-NE 3.41Å; D1041-R1045 IonicContact OD2-NH2 2.59Å; D1041-R1045 PolarHBondContact OD2-NH2 3.13Å; A1042-R1045 PolarHBondContact O-N 2.64Å; A1042-R1045 VanDerWaalsContact O-N 3.15Å; R1045-R1048 PolarHBondContact O-N 3.15Å; R1045-S1049 WeakPolarHBondContact O-CB 3.14Å; R1045-S1049 PolarHBondContact O-N 3.04Å
1046	L	48	Very low	47.9	Very low	116 Å²	116	108 Å²	108	61%	0.607	59%	0.589	S	S	*	*	H	α-helix	trans	-64.6	-46	177.2	-73.1	168.2	0	0	0	112.4	A1042 R1048 S1049 S1050	A1042-L1046 PolarHBondContact O-N 3.09Å; L1046-R1048 VanDerWaalsContact C-N 3.33Å; L1046-R1048 PolarHBondContact O-N 3.26Å; L1046-S1049 PolarHBondContact O-N 2.83Å; L1046-S1050 WeakPolarHBondContact O-CB 3.47Å; L1046-S1050 PolarHBondContact O-N 3.27Å
1047	T	46.4	Very low	49.1	Very low	77 Å²	77	106 Å²	106	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-67.9	-30.6	177.1	49.2	0	0	0	0	113	Q1043 S1044 R1051	Q1043-T1047 WeakPolarHBondContact O-CB 3.37Å; Q1043-T1047 WeakPolarHBondContact O-CG2 3.38Å; Q1043-T1047 PolarHBondContact O-N 3.13Å; Q1043-T1047 PolarHBondContact O-OG1 3.45Å; S1044-T1047 PolarHBondContact O-OG1 3.14Å; T1047-R1051 VanDerWaalsContact O-CG 3.3Å; T1047-R1051 WeakPolarHBondContact O-CG 3.18Å; T1047-R1051 PolarHBondContact O-N 3.47Å
1048	R	48	Very low	50.3	Low	177 Å²	177	109.3 Å²	109.3	67%	0.668	56%	0.563	S	S	*	*	H	α-helix	trans	-68.3	-51	171.2	-172.4	172.4	-174	151.2	1.4	111.5	S1044 R1045 L1046 S1050 R1051 E1052	S1044-R1048 VanDerWaalsContact O-CB 3.24Å; S1044-R1048 WeakPolarHBondContact O-CB 3.47Å; S1044-R1048 PolarHBondContact O-N 2.77Å; S1044-R1048 VanDerWaalsContact O-N 3.16Å; R1045-R1048 PolarHBondContact O-N 3.15Å; L1046-R1048 VanDerWaalsContact C-N 3.33Å; L1046-R1048 PolarHBondContact O-N 3.26Å; R1048-S1050 VanDerWaalsContact C-N 3.34Å; R1048-S1050 PolarHBondContact O-N 2.99Å; R1048-R1051 PolarHBondContact O-N 2.9Å; R1048-E1052 WeakPolarHBondContact O-CB 3.43Å; R1048-E1052 PolarHBondContact O-N 3.4Å
1049	S	47.6	Very low	50.9	Low	66 Å²	66	105.5 Å²	105.5	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-57	-45.2	177.5	176.5	0	0	0	0	112.1	R1045 L1046 R1051 E1052 L1053	R1045-S1049 WeakPolarHBondContact O-CB 3.14Å; R1045-S1049 PolarHBondContact O-N 3.04Å; L1046-S1049 PolarHBondContact O-N 2.83Å; S1049-R1051 PolarHBondContact O-N 2.93Å; S1049-E1052 PolarHBondContact O-N 3.44Å; S1049-L1053 WeakPolarHBondContact O-CB 3.02Å; S1049-L1053 PolarHBondContact O-N 3.03Å
1050	S	54.2	Low	51.5	Low	76 Å²	76	107.7 Å²	107.7	53%	0.531	54%	0.535	S	S	.	.	H	α-helix	trans	-57.5	-48.4	175.3	171.1	0	0	0	0	112.2	L1046 R1048 E1052 L1053 D1054	L1046-S1050 WeakPolarHBondContact O-CB 3.47Å; L1046-S1050 PolarHBondContact O-N 3.27Å; R1048-S1050 VanDerWaalsContact C-N 3.34Å; R1048-S1050 PolarHBondContact O-N 2.99Å; S1050-E1052 VanDerWaalsContact C-N 3.27Å; S1050-E1052 PolarHBondContact O-N 3.05Å; S1050-L1053 PolarHBondContact O-N 2.82Å; S1050-D1054 VanDerWaalsContact O-CB 3.26Å; S1050-D1054 WeakPolarHBondContact O-CB 2.86Å; S1050-D1054 PolarHBondContact O-N 2.92Å
1051	R	51.7	Low	52.3	Low	191 Å²	191	110.9 Å²	110.9	72%	0.721	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-27.7	177.5	-72.9	173.4	175.2	-171	-1.4	113.6	T1047 R1048 S1049 R1055	T1047-R1051 VanDerWaalsContact O-CG 3.3Å; T1047-R1051 WeakPolarHBondContact O-CG 3.18Å; T1047-R1051 PolarHBondContact O-N 3.47Å; R1048-R1051 PolarHBondContact O-N 2.9Å; S1049-R1051 PolarHBondContact O-N 2.93Å; R1051-R1055 WeakPolarHBondContact O-CG 3.31Å; R1051-R1055 PolarHBondContact O-N 2.89Å; R1051-R1055 VanDerWaalsContact O-N 3.12Å
1052	E	57.1	Low	53	Low	108 Å²	108	111.5 Å²	111.5	51%	0.505	53%	0.533	S	S	.	.	H	α-helix	trans	-77.5	-43.5	178.7	-154.8	143.1	-127.2	0	0	110.8	R1048 S1049 S1050 D1054 R1055 I1056	R1048-E1052 WeakPolarHBondContact O-CB 3.43Å; R1048-E1052 PolarHBondContact O-N 3.4Å; S1049-E1052 PolarHBondContact O-N 3.44Å; S1050-E1052 VanDerWaalsContact C-N 3.27Å; S1050-E1052 PolarHBondContact O-N 3.05Å; E1052-D1054 VanDerWaalsContact C-N 3.34Å; E1052-D1054 PolarHBondContact O-N 3Å; E1052-R1055 WeakPolarHBondContact O-CB 3.24Å; E1052-R1055 PolarHBondContact O-N 3.33Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.48Å; E1052-I1056 PolarHBondContact O-N 3.46Å
1053	L	58.1	Low	53.2	Low	93 Å²	93	113 Å²	113	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-41.3	172.1	-144.9	166.8	0	0	0	111.2	S1049 S1050 R1055 I1056 Q1057	S1049-L1053 WeakPolarHBondContact O-CB 3.02Å; S1049-L1053 PolarHBondContact O-N 3.03Å; S1050-L1053 PolarHBondContact O-N 2.82Å; L1053-R1055 VanDerWaalsContact C-N 3.34Å; L1053-R1055 PolarHBondContact O-N 2.77Å; L1053-I1056 PolarHBondContact O-N 3Å; L1053-Q1057 HydrophobicContact CD2-CG 4.05Å; L1053-Q1057 PolarHBondContact O-N 2.65Å
1054	D	56.8	Low	53.4	Low	73 Å²	73	112 Å²	112	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-32.4	176.5	-162.2	65.3	0	0	0	112.4	S1050 E1052 R1058	S1050-D1054 VanDerWaalsContact O-CB 3.26Å; S1050-D1054 WeakPolarHBondContact O-CB 2.86Å; S1050-D1054 PolarHBondContact O-N 2.92Å; E1052-D1054 VanDerWaalsContact C-N 3.34Å; E1052-D1054 PolarHBondContact O-N 3Å; D1054-R1058 VanDerWaalsContact O-CB 3.29Å; D1054-R1058 WeakPolarHBondContact O-CB 2.99Å; D1054-R1058 PolarHBondContact O-N 2.94Å; D1054-R1058 PolarHBondContact O-NH1 3.23Å; D1054-R1058 IonicContact OD2-CZ 3.49Å; D1054-R1058 IonicContact OD2-NH1 2.67Å; D1054-R1058 PolarHBondContact OD2-NH1 3.43Å; D1054-R1058 IonicContact OD2-NH2 3.37Å; D1054-R1058 PolarHBondContact OD2-NH2 2.89Å
1055	R	58.8	Low	53.7	Low	186 Å²	186	111.7 Å²	111.7	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-45.9	168.8	-82.2	-180	172.8	-152.7	-4	112	R1051 E1052 L1053 R1058 T1059	R1051-R1055 WeakPolarHBondContact O-CG 3.31Å; R1051-R1055 PolarHBondContact O-N 2.89Å; R1051-R1055 VanDerWaalsContact O-N 3.12Å; E1052-R1055 WeakPolarHBondContact O-CB 3.24Å; E1052-R1055 PolarHBondContact O-N 3.33Å; L1053-R1055 VanDerWaalsContact C-N 3.34Å; L1053-R1055 PolarHBondContact O-N 2.77Å; R1055-R1058 PolarHBondContact O-N 3.21Å; R1055-T1059 PolarHBondContact O-N 3.32Å; R1055-T1059 PolarHBondContact O-OG1 3.02Å
1056	I	60.8	Low	53.6	Low	82 Å²	82	111 Å²	111	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-43.2	179.7	-67.4	162.3	0	0	0	111.2	E1052 L1053 R1058 T1059 L1060	E1052-I1056 WeakPolarHBondContact O-CG1 3.48Å; E1052-I1056 PolarHBondContact O-N 3.46Å; L1053-I1056 PolarHBondContact O-N 3Å; I1056-R1058 VanDerWaalsContact C-N 3.28Å; I1056-R1058 PolarHBondContact O-N 2.72Å; I1056-T1059 PolarHBondContact O-OG1 3.47Å; I1056-T1059 VanDerWaalsContact O-OG1 3.14Å; I1056-L1060 HydrophobicContact CG2-CD1 3.97Å; I1056-L1060 WeakPolarHBondContact O-CB 3.29Å; I1056-L1060 VanDerWaalsContact O-CG 3.29Å; I1056-L1060 WeakPolarHBondContact O-CG 3.34Å; I1056-L1060 PolarHBondContact O-N 2.67Å
1057	Q	58.5	Low	53.6	Low	96 Å²	96	111.7 Å²	111.7	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-32.4	175.3	-72.5	-169.5	10.9	0	0	112.9	L1053 R1061	L1053-Q1057 HydrophobicContact CD2-CG 4.05Å; L1053-Q1057 PolarHBondContact O-N 2.65Å; Q1057-R1061 WeakPolarHBondContact O-CB 3.47Å; Q1057-R1061 PolarHBondContact O-N 2.67Å; Q1057-R1061 VanDerWaalsContact O-N 3.07Å
1058	R	59.1	Low	53.6	Low	120 Å²	120	114.1 Å²	114.1	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-72.3	-45.3	178.8	-167.8	174	-75	99.3	-7.7	111.4	D1054 R1055 I1056 L1060 R1061 E1062	D1054-R1058 VanDerWaalsContact O-CB 3.29Å; D1054-R1058 WeakPolarHBondContact O-CB 2.99Å; D1054-R1058 PolarHBondContact O-N 2.94Å; D1054-R1058 PolarHBondContact O-NH1 3.23Å; D1054-R1058 IonicContact OD2-CZ 3.49Å; D1054-R1058 IonicContact OD2-NH1 2.67Å; D1054-R1058 PolarHBondContact OD2-NH1 3.43Å; D1054-R1058 IonicContact OD2-NH2 3.37Å; D1054-R1058 PolarHBondContact OD2-NH2 2.89Å; R1055-R1058 PolarHBondContact O-N 3.21Å; I1056-R1058 VanDerWaalsContact C-N 3.28Å; I1056-R1058 PolarHBondContact O-N 2.72Å; R1058-L1060 PolarHBondContact O-N 2.84Å; R1058-R1061 PolarHBondContact O-N 3.36Å; R1058-E1062 WeakPolarHBondContact O-CG 3.35Å; R1058-E1062 PolarHBondContact O-N 3.05Å
1059	T	56.3	Low	53.4	Low	73 Å²	73	113 Å²	113	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-67.6	-32.8	174.2	52.2	0	0	0	0	113.2	R1055 I1056 E1062 L1063	R1055-T1059 PolarHBondContact O-N 3.32Å; R1055-T1059 PolarHBondContact O-OG1 3.02Å; I1056-T1059 PolarHBondContact O-OG1 3.47Å; I1056-T1059 VanDerWaalsContact O-OG1 3.14Å; T1059-E1062 PolarHBondContact O-N 3.21Å; T1059-L1063 WeakPolarHBondContact O-CB 3.05Å; T1059-L1063 WeakPolarHBondContact O-CG 2.91Å; T1059-L1063 PolarHBondContact O-N 2.91Å
1060	L	55.8	Low	53.3	Low	103 Å²	103	113 Å²	113	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-38.6	171	-76.7	170.1	0	0	0	112.1	I1056 R1058 L1063 Q1064	I1056-L1060 HydrophobicContact CG2-CD1 3.97Å; I1056-L1060 WeakPolarHBondContact O-CB 3.29Å; I1056-L1060 VanDerWaalsContact O-CG 3.29Å; I1056-L1060 WeakPolarHBondContact O-CG 3.34Å; I1056-L1060 PolarHBondContact O-N 2.67Å; R1058-L1060 PolarHBondContact O-N 2.84Å; L1060-L1063 PolarHBondContact O-N 3.44Å; L1060-Q1064 WeakPolarHBondContact O-CB 2.93Å; L1060-Q1064 PolarHBondContact O-N 2.82Å
1061	R	60.2	Low	52.9	Low	167 Å²	167	115.3 Å²	115.3	63%	0.63	57%	0.568	S	S	*	*	H	α-helix	trans	-70.3	-36.9	177	-156.5	176.4	-56.5	173.4	5.6	112	Q1057 R1058 Q1064 A1065	Q1057-R1061 WeakPolarHBondContact O-CB 3.47Å; Q1057-R1061 PolarHBondContact O-N 2.67Å; Q1057-R1061 VanDerWaalsContact O-N 3.07Å; R1058-R1061 PolarHBondContact O-N 3.36Å; R1061-Q1064 PolarHBondContact O-N 3.3Å; R1061-A1065 WeakPolarHBondContact O-CB 3.13Å; R1061-A1065 PolarHBondContact O-N 2.83Å
1062	E	56.5	Low	51.8	Low	113 Å²	113	109.5 Å²	109.5	53%	0.528	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-43	171.3	-72.1	163.1	-164.6	0	0	111.7	R1058 T1059 A1065 F1066	R1058-E1062 WeakPolarHBondContact O-CG 3.35Å; R1058-E1062 PolarHBondContact O-N 3.05Å; T1059-E1062 PolarHBondContact O-N 3.21Å; E1062-A1065 PolarHBondContact O-N 2.68Å; E1062-F1066 VanDerWaalsContact O-CB 3.3Å; E1062-F1066 WeakPolarHBondContact O-CB 3.1Å; E1062-F1066 PolarHBondContact O-N 2.78Å
1063	L	48.8	Very low	50.7	Low	87 Å²	87	113 Å²	113	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-63.8	-39.3	173.2	-83.4	163.8	0	0	0	112.5	T1059 L1060 F1066 L1067	T1059-L1063 WeakPolarHBondContact O-CB 3.05Å; T1059-L1063 WeakPolarHBondContact O-CG 2.91Å; T1059-L1063 PolarHBondContact O-N 2.91Å; L1060-L1063 PolarHBondContact O-N 3.44Å; L1063-F1066 PolarHBondContact O-N 3.35Å; L1063-L1067 WeakPolarHBondContact O-CG 3.26Å; L1063-L1067 PolarHBondContact O-N 2.81Å
1064	Q	49.1	Very low	49.3	Very low	120 Å²	120	115.1 Å²	115.1	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-66.4	-40.8	176.7	-172.7	173.6	2.1	0	0	111.7	L1060 R1061 L1067 Q1068	L1060-Q1064 WeakPolarHBondContact O-CB 2.93Å; L1060-Q1064 PolarHBondContact O-N 2.82Å; R1061-Q1064 PolarHBondContact O-N 3.3Å; Q1064-L1067 PolarHBondContact O-N 3.09Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.26Å; Q1064-Q1068 PolarHBondContact O-N 3.21Å
1065	A	48.3	Very low	47.9	Very low	52 Å²	52	114.6 Å²	114.6	43%	0.43	61%	0.607	S	S	.	*	H	α-helix	trans	-64.3	-44.4	172.6	0	0	0	0	0	111.7	R1061 E1062 L1067 Q1068 D1069	R1061-A1065 WeakPolarHBondContact O-CB 3.13Å; R1061-A1065 PolarHBondContact O-N 2.83Å; E1062-A1065 PolarHBondContact O-N 2.68Å; A1065-L1067 PolarHBondContact O-N 3.01Å; A1065-Q1068 WeakPolarHBondContact O-CA 3.08Å; A1065-Q1068 PolarHBondContact O-N 2.71Å; A1065-D1069 PolarHBondContact O-N 3.42Å
1066	F	46.1	Very low	46.5	Very low	156 Å²	156	113.3 Å²	113.3	68%	0.684	61%	0.614	S	S	*	*	H	α-helix	trans	-62.5	-28.3	178	-172.5	-97.5	0	0	0	113.5	E1062 L1063	E1062-F1066 VanDerWaalsContact O-CB 3.3Å; E1062-F1066 WeakPolarHBondContact O-CB 3.1Å; E1062-F1066 PolarHBondContact O-N 2.78Å; L1063-F1066 PolarHBondContact O-N 3.35Å
1067	L	47.3	Very low	45	Very low	129 Å²	129	115 Å²	115	68%	0.675	63%	0.628	S	S	*	*	H	α-helix	trans	-79.3	-23.1	172	-73.1	168.3	0	0	0	113.4	L1063 Q1064 A1065	L1063-L1067 WeakPolarHBondContact O-CG 3.26Å; L1063-L1067 PolarHBondContact O-N 2.81Å; Q1064-L1067 PolarHBondContact O-N 3.09Å; A1065-L1067 PolarHBondContact O-N 3.01Å
1068	Q	47.2	Very low	43.6	Very low	128 Å²	128	117 Å²	117	60%	0.598	64%	0.642	S	S	*	*	H	α-helix	trans	-84.1	-36.5	175.9	-72.4	174.9	-19.6	0	0	111.9	Q1064 A1065 G1070 V1071	Q1064-Q1068 WeakPolarHBondContact O-CG 3.26Å; Q1064-Q1068 PolarHBondContact O-N 3.21Å; A1065-Q1068 WeakPolarHBondContact O-CA 3.08Å; A1065-Q1068 PolarHBondContact O-N 2.71Å; Q1068-G1070 PolarHBondContact O-N 3.07Å; Q1068-G1070 VanDerWaalsContact O-N 3.09Å; Q1068-V1071 PolarHBondContact O-N 2.86Å
1069	D	44.2	Very low	42.1	Very low	155 Å²	155	116.3 Å²	116.3	83%	0.829	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-13.3	171.2	-115.2	21	0	0	0	113.3	A1065 V1071	A1065-D1069 PolarHBondContact O-N 3.42Å; D1069-V1071 VanDerWaalsContact C-N 3.35Å
1070	G	43.8	Very low	40.8	Very low	66 Å²	66	121.1 Å²	121.1	68%	0.68	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-3.2	171.6	0	0	0	0	0	115.2	Q1068	Q1068-G1070 PolarHBondContact O-N 3.07Å; Q1068-G1070 VanDerWaalsContact O-N 3.09Å
1071	V	46	Very low	39.5	Very low	123 Å²	123	122.5 Å²	122.5	75%	0.745	68%	0.679	S	S	*	*	S	Bend	trans	-140.2	86.1	-170.7	-171.4	0	0	0	0	111.9	Q1068 D1069	Q1068-V1071 PolarHBondContact O-N 2.86Å; D1069-V1071 VanDerWaalsContact C-N 3.35Å
1072	G	29.9	Very low	38	Very low	69 Å²	69	119.7 Å²	119.7	71%	0.711	68%	0.68	S	S	*	*			trans	-173	131.9	171.2	0	0	0	0	0	116.1
1073	Q	33.9	Very low	36.6	Very low	181 Å²	181	122.9 Å²	122.9	85%	0.846	69%	0.692	S	S	*	*			trans	64.3	139.4	166.4	-49.1	-154.9	-100.4	0	0	118
1074	D	29	Very low	35.4	Very low	139 Å²	139	126.7 Å²	126.7	74%	0.743	71%	0.712	S	S	*	*			cis	-166.4	165.4	-18.6	-107.7	-49.5	0	0	0	107.8
1075	G	26.8	Very low	34.2	Very low	61 Å²	61	125 Å²	125	63%	0.629	73%	0.726	S	S	*	*			cis	161.2	170.3	-4.2	0	0	0	0	0	113.3
1076	L	29.2	Very low	33.1	Very low	159 Å²	159	134.2 Å²	134.2	83%	0.832	75%	0.75	S	S	*	*			trans	72.2	129.9	155.5	-145.9	77.1	0	0	0	122
1077	T	28.6	Very low	32.9	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	75%	0.75	S	S	*	*			trans	63.5	153.7	160.2	37.4	0	0	0	0	118.4
1078	D	29.6	Very low	31.8	Very low	139 Å²	139	137.6 Å²	137.6	74%	0.743	76%	0.763	S	S	*	*			cis	-145.4	-176.8	0.2	-144.5	-38.2	0	0	0	111.7
1079	T	28.8	Very low	30.7	Very low	105 Å²	105	135 Å²	135	64%	0.644	77%	0.771	S	S	*	*			trans	-75.6	149.8	-179.2	57	0	0	0	0	115.1
1080	M	27.3	Very low	29.7	Very low	175 Å²	175	132.5 Å²	132.5	86%	0.862	77%	0.766	S	S	*	*				170.3	168.5	121.2	-91.8	-64.8	168.8	0	0	115.9
1081	D	28.6	Very low	28.7	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	77%	0.772	S	S	*	*			trans	-69.2	146.7	-168.6	-114.1	-57.1	0	0	0	119.2
1082	T	28.4	Very low	27.6	Very low	108 Å²	108	136.3 Å²	136.3	66%	0.663	77%	0.774	S	S	*	*				53.5	140.3	125.4	-69.2	0	0	0	0	124.1
1083	K	26.9	Very low	27.4	Very low	180 Å²	180	137.6 Å²	137.6	78%	0.783	78%	0.777	S	S	*	*			trans	90.6	131.4	155	-91.6	165.6	-174.4	171	0	121.8
1084	L	24.8	Very low	27	Very low	167 Å²	167	139.9 Å²	139.9	87%	0.874	78%	0.778	S	S	*	*			trans	47.7	118.9	138.2	-67.7	163.4	0	0	0	120.7
1085	G	24.5	Very low	26.8	Very low	83 Å²	83	140.6 Å²	140.6	86%	0.856	78%	0.777	S	S	*	*			trans	-179.9	111.3	161.7	0	0	0	0	0	116.9
1086	R	24	Very low	26.9	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	78%	0.784	S	S	*	*			trans	-95.7	172.2	156	-120.9	-172.5	-178.1	-155.8	4.6	107.4
1087	P	41.3	Very low	26.7	Very low	106 Å²	106	150 Å²	150	69%	0.688	78%	0.782	S	S	*	*			cis	-140.3	-161.4	-8.8	42.1	-22	0	0	0	114.1
1088	R	24.2	Very low	26.5	Very low	249 Å²	249	152.6 Å²	152.6	94%	0.94	78%	0.784	S	S	*	*			trans	-4.7	144.8	153.9	-66.3	-179.7	170.1	-168.6	-3.5	120.9
1089	G	24.8	Very low	26.2	Very low	75 Å²	75	153.2 Å²	153.2	77%	0.773	78%	0.782	S	S	*	*			trans	155.2	95	157.6	0	0	0	0	0	110.2
1090	S	23.6	Very low	26	Very low	101 Å²	101	156.1 Å²	156.1	71%	0.706	79%	0.786	S	S	*	*				79.7	113.3	56.2	-136.3	0	0	0	0	115
1091	E	22.4	Very low	25.8	Very low	177 Å²	177	151.6 Å²	151.6	83%	0.827	78%	0.776	S	S	*	*			trans	78.6	164.1	144.8	-71.2	162.7	105.1	0	0	123.7
1092	A	23.7	Very low	25.6	Very low	93 Å²	93	153 Å²	153	77%	0.769	78%	0.779	S	S	*	*			trans	58.1	80.7	164.7	0	0	0	0	0	116.8
1093	A	24.6	Very low	25.4	Very low	96 Å²	96	152.4 Å²	152.4	79%	0.793	78%	0.779	S	S	*	*				59.1	112	61.3	0	0	0	0	0	115.7
1094	R	25.1	Very low	25.3	Very low	229 Å²	229	155.6 Å²	155.6	86%	0.864	79%	0.786	S	S	*	*			trans	-177.4	149.5	137	-101.9	173.7	167.5	146.2	3.1	108.3
1095	Q	26.5	Very low	25.9	Very low	153 Å²	153	151.3 Å²	151.3	72%	0.715	78%	0.782	S	S	*	*			cis	161.2	156.7	-11.8	174.2	172.8	25.6	0	0	104.5
1096	R	27.6	Very low	26.1	Very low	203 Å²	203	155.9 Å²	155.9	77%	0.766	79%	0.786	S	S	*	*			trans	89.6	135.4	155	-123.4	179.8	-175.7	-162.2	1.5	119.9
1097	R	26	Very low	26.5	Very low	214 Å²	214	147.4 Å²	147.4	81%	0.808	78%	0.775	S	S	*	*			trans	75.2	123.4	165.7	-63.1	178.7	169.3	169	-6.6	115.9
1098	K	23.8	Very low	26.1	Very low	172 Å²	172	145.2 Å²	145.2	75%	0.748	77%	0.766	S	S	*	*			cis	93.4	135.3	27	-168.8	-177.1	-175.9	-89	0	112.6
1099	E	23.7	Very low	26.9	Very low	152 Å²	152	137.4 Å²	137.4	71%	0.71	75%	0.748	S	S	*	*			trans	67.3	148.4	-172.5	-68.7	130.5	-125	0	0	113.6
1100	K	24.2	Very low	27.8	Very low	166 Å²	166	138 Å²	138	72%	0.722	74%	0.738	S	S	*	*			cis	-127.1	151.6	-2.2	-103.6	-170.3	169	-164.3	0	108	E1102	K1100-E1102 IonicContact NZ-OE1 3.52Å; K1100-E1102 PolarHBondContact NZ-OE1 2.68Å
1101	A	22.8	Very low	29	Very low	80 Å²	80	136.6 Å²	136.6	66%	0.661	73%	0.728	S	S	*	*				65.6	143.9	67.7	0	0	0	0	0	115.1
1102	E	25.2	Very low	29.9	Very low	162 Å²	162	135.9 Å²	135.9	76%	0.757	72%	0.718	S	S	*	*			trans	69.7	155.2	-178	-54.4	163.2	-135.6	0	0	115.4	K1100	K1100-E1102 IonicContact NZ-OE1 3.52Å; K1100-E1102 PolarHBondContact NZ-OE1 2.68Å
1103	S	24.1	Very low	30.9	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	71%	0.713	S	S	*	*			cis	-163	160.3	-42.5	73.2	0	0	0	0	109
1104	R	25.3	Very low	32.2	Very low	248 Å²	248	142 Å²	142	94%	0.936	71%	0.707	S	S	*	*			trans	65.7	162.7	173.1	-56.7	179.4	179.2	-136.8	-4.7	115.2
1105	G	37.7	Very low	33.5	Very low	77 Å²	77	135 Å²	135	79%	0.794	69%	0.69	S	S	*	*			trans	-86.3	142.3	-167.5	0	0	0	0	0	114.5
1106	L	28.2	Very low	34.9	Very low	179 Å²	179	131.9 Å²	131.9	94%	0.937	68%	0.677	S	S	*	*			trans	-111.7	139	153.3	-67	164.2	0	0	0	106
1107	G	30.9	Very low	36.3	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	66%	0.662	S	S	*	*			cis	112	107.9	20.4	0	0	0	0	0	107.4
1108	A	33.7	Very low	37.5	Very low	61 Å²	61	121.2 Å²	121.2	50%	0.504	65%	0.648	S	S	.	*	S	Bend	trans	-58.1	149.7	179.8	0	0	0	0	0	110.5	W1112	A1108-W1112 HydrophobicContact CB-CB 4.46Å
1109	P	41.3	Very low	39.1	Very low	84 Å²	84	116.8 Å²	116.8	55%	0.545	63%	0.63	S	S	.	*			trans	-56.5	141.9	178.7	24.3	-34.6	0	0	0	110.3	S1111 W1112	P1109-S1111 PolarHBondContact O-N 3.03Å; P1109-W1112 PolarHBondContact O-N 3.21Å
1110	P	44.3	Very low	40.6	Very low	88 Å²	88	111.9 Å²	111.9	57%	0.571	62%	0.615	S	S	*	*	H	α-helix	trans	-63.9	-10.1	-171.3	24.3	-34.5	0	0	0	114	R1114	P1110-R1114 WeakPolarHBondContact O-CD 3.27Å; P1110-R1114 WeakPolarHBondContact O-CG 3.46Å; P1110-R1114 PolarHBondContact O-N 3.2Å
1111	S	47.3	Very low	42	Very low	72 Å²	72	111.3 Å²	111.3	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-63.3	-47.6	166.1	48.3	0	0	0	0	112.6	P1109 Q1113 R1114 T1115	P1109-S1111 PolarHBondContact O-N 3.03Å; S1111-Q1113 VanDerWaalsContact C-N 3.34Å; S1111-Q1113 PolarHBondContact O-N 2.88Å; S1111-R1114 WeakPolarHBondContact O-CB 3.44Å; S1111-R1114 PolarHBondContact O-N 3.42Å; S1111-T1115 PolarHBondContact O-N 2.87Å; S1111-T1115 PolarHBondContact O-OG1 2.91Å; S1111-T1115 VanDerWaalsContact O-OG1 3.09Å
1112	W	41.9	Very low	43.6	Very low	162 Å²	162	111.5 Å²	111.5	61%	0.614	60%	0.596	S	S	*	*	H	α-helix	trans	-64.7	-39	-175	-169.2	-100.6	0	0	0	112.2	A1108 P1109 T1115 L1116	A1108-W1112 HydrophobicContact CB-CB 4.46Å; P1109-W1112 PolarHBondContact O-N 3.21Å; W1112-T1115 PolarHBondContact O-N 3.24Å; W1112-L1116 PolarHBondContact O-N 3.24Å
1113	Q	45	Very low	45.3	Very low	139 Å²	139	110.3 Å²	110.3	65%	0.65	59%	0.585	S	S	*	*	H	α-helix	trans	-70	-34.9	178	-154.3	164.8	9.3	0	0	111.8	S1111 E1117	S1111-Q1113 VanDerWaalsContact C-N 3.34Å; S1111-Q1113 PolarHBondContact O-N 2.88Å; Q1113-E1117 PolarHBondContact O-N 3.44Å
1114	R	50.8	Low	46.5	Very low	179 Å²	179	114.1 Å²	114.1	68%	0.675	59%	0.593	S	S	*	*	H	α-helix	trans	-66	-40.2	169.6	-71.2	168.7	-172	179.3	1.8	112.3	P1110 S1111 E1117 L1118	P1110-R1114 WeakPolarHBondContact O-CD 3.27Å; P1110-R1114 WeakPolarHBondContact O-CG 3.46Å; P1110-R1114 PolarHBondContact O-N 3.2Å; S1111-R1114 WeakPolarHBondContact O-CB 3.44Å; S1111-R1114 PolarHBondContact O-N 3.42Å; R1114-E1117 PolarHBondContact O-N 3.43Å; R1114-L1118 WeakPolarHBondContact O-CB 3.31Å; R1114-L1118 PolarHBondContact O-N 2.93Å
1115	T	53.6	Low	47.9	Very low	82 Å²	82	105.4 Å²	105.4	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-44.5	175.9	-55.6	0	0	0	0	111.4	S1111 W1112 L1118 E1119	S1111-T1115 PolarHBondContact O-N 2.87Å; S1111-T1115 PolarHBondContact O-OG1 2.91Å; S1111-T1115 VanDerWaalsContact O-OG1 3.09Å; W1112-T1115 PolarHBondContact O-N 3.24Å; T1115-L1118 PolarHBondContact O-N 2.93Å; T1115-E1119 WeakPolarHBondContact O-CB 3.34Å; T1115-E1119 PolarHBondContact O-N 3.23Å
1116	L	55.5	Low	48.5	Very low	86 Å²	86	104.5 Å²	104.5	45%	0.45	56%	0.564	S	S	.	*	H	α-helix	trans	-65	-37.8	175.5	-75.7	169.8	0	0	0	112.6	W1112 A1120	W1112-L1116 PolarHBondContact O-N 3.24Å; L1116-A1120 VanDerWaalsContact O-CB 3.29Å; L1116-A1120 WeakPolarHBondContact O-CB 3.31Å; L1116-A1120 PolarHBondContact O-N 3.49Å
1117	E	56.7	Low	49.5	Very low	98 Å²	98	101.4 Å²	101.4	46%	0.458	55%	0.548	S	S	.	.	H	α-helix	trans	-68.6	-40.1	174.7	-165.4	-176.8	161.2	0	0	112	Q1113 R1114 A1120 R1121	Q1113-E1117 PolarHBondContact O-N 3.44Å; R1114-E1117 PolarHBondContact O-N 3.43Å; E1117-A1120 PolarHBondContact O-N 3.44Å; E1117-R1121 HydrophobicContact CG-CG 4.5Å; E1117-R1121 WeakPolarHBondContact O-CB 3.29Å; E1117-R1121 VanDerWaalsContact O-CG 3.28Å; E1117-R1121 WeakPolarHBondContact O-CG 3.26Å; E1117-R1121 PolarHBondContact O-N 3.13Å; E1117-R1121 IonicContact OE1-CZ 3.24Å; E1117-R1121 IonicContact OE1-NE 2.73Å; E1117-R1121 PolarHBondContact OE1-NE 3.49Å; E1117-R1121 IonicContact OE1-NH2 3.21Å; E1117-R1121 PolarHBondContact OE1-NH2 3.25Å
1118	L	52.6	Low	50.9	Low	95 Å²	95	101.1 Å²	101.1	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-47.1	173.9	-169.4	76.4	0	0	0	110.8	R1114 T1115 A1120 R1121 M1122	R1114-L1118 WeakPolarHBondContact O-CB 3.31Å; R1114-L1118 PolarHBondContact O-N 2.93Å; T1115-L1118 PolarHBondContact O-N 2.93Å; L1118-A1120 PolarHBondContact O-N 3.32Å; L1118-R1121 PolarHBondContact O-N 3.26Å; L1118-M1122 HydrophobicContact CG-SD 4.45Å; L1118-M1122 VanDerWaalsContact O-CG 3.32Å; L1118-M1122 WeakPolarHBondContact O-CG 3.42Å; L1118-M1122 PolarHBondContact O-N 3.32Å
1119	E	57.4	Low	51.3	Low	80 Å²	80	104.1 Å²	104.1	37%	0.374	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-40.2	178.2	-160.1	-160.6	-160.7	0	0	111.9	T1115 M1122 R1123	T1115-E1119 WeakPolarHBondContact O-CB 3.34Å; T1115-E1119 PolarHBondContact O-N 3.23Å; E1119-M1122 PolarHBondContact O-N 2.94Å; E1119-R1123 VanDerWaalsContact CD-CZ 3.43Å; E1119-R1123 WeakPolarHBondContact O-CG 3.3Å; E1119-R1123 PolarHBondContact O-N 3.02Å; E1119-R1123 IonicContact OE1-CZ 2.74Å; E1119-R1123 IonicContact OE1-NH1 3.35Å; E1119-R1123 PolarHBondContact OE1-NH1 3.28Å; E1119-R1123 IonicContact OE1-NH2 2.67Å; E1119-R1123 PolarHBondContact OE1-NH2 3.49Å; E1119-R1123 IonicContact OE2-CZ 3.19Å; E1119-R1123 IonicContact OE2-NH1 3.56Å; E1119-R1123 PolarHBondContact OE2-NH1 2.89Å; E1119-R1123 IonicContact OE2-NH2 2.91Å
1120	A	53.3	Low	51.1	Low	48 Å²	48	106.3 Å²	106.3	40%	0.397	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-42.8	174.1	0	0	0	0	0	112.3	L1116 E1117 L1118 R1123 Q1124	L1116-A1120 VanDerWaalsContact O-CB 3.29Å; L1116-A1120 WeakPolarHBondContact O-CB 3.31Å; L1116-A1120 PolarHBondContact O-N 3.49Å; E1117-A1120 PolarHBondContact O-N 3.44Å; L1118-A1120 PolarHBondContact O-N 3.32Å; A1120-R1123 PolarHBondContact O-N 3.02Å; A1120-Q1124 PolarHBondContact O-N 3.2Å
1121	R	55	Low	50.7	Low	155 Å²	155	107.3 Å²	107.3	59%	0.585	57%	0.57	S	S	*	*	H	α-helix	trans	-65	-39.4	175	-73.6	174.2	-179.9	-129.6	7.7	111.7	E1117 L1118 R1123 Q1124 A1125	E1117-R1121 HydrophobicContact CG-CG 4.5Å; E1117-R1121 WeakPolarHBondContact O-CB 3.29Å; E1117-R1121 VanDerWaalsContact O-CG 3.28Å; E1117-R1121 WeakPolarHBondContact O-CG 3.26Å; E1117-R1121 PolarHBondContact O-N 3.13Å; E1117-R1121 IonicContact OE1-CZ 3.24Å; E1117-R1121 IonicContact OE1-NE 2.73Å; E1117-R1121 PolarHBondContact OE1-NE 3.49Å; E1117-R1121 IonicContact OE1-NH2 3.21Å; E1117-R1121 PolarHBondContact OE1-NH2 3.25Å; L1118-R1121 PolarHBondContact O-N 3.26Å; R1121-R1123 PolarHBondContact O-N 3.39Å; R1121-Q1124 PolarHBondContact O-N 2.69Å; R1121-A1125 WeakPolarHBondContact O-CB 3.17Å; R1121-A1125 PolarHBondContact O-N 3.39Å
1122	M	56.5	Low	50.5	Low	83 Å²	83	112.7 Å²	112.7	41%	0.409	59%	0.592	S	S	.	*	H	α-helix	trans	-63	-39.6	173.9	-73.6	177.7	72.7	0	0	112.3	L1118 E1119 A1125 G1126 L1127	L1118-M1122 HydrophobicContact CG-SD 4.45Å; L1118-M1122 VanDerWaalsContact O-CG 3.32Å; L1118-M1122 WeakPolarHBondContact O-CG 3.42Å; L1118-M1122 PolarHBondContact O-N 3.32Å; E1119-M1122 PolarHBondContact O-N 2.94Å; M1122-A1125 PolarHBondContact O-N 3.24Å; M1122-G1126 PolarHBondContact O-N 3.11Å; M1122-L1127 PolarHBondContact O-N 3.32Å
1123	R	60.3	Low	50.2	Low	137 Å²	137	113.1 Å²	113.1	52%	0.517	60%	0.603	S	S	.	*	H	α-helix	trans	-66	-42.2	172.3	-72.7	-179.4	-179.3	114.6	8.9	112.4	E1119 A1120 R1121 A1125 G1126 T1128	E1119-R1123 VanDerWaalsContact CD-CZ 3.43Å; E1119-R1123 WeakPolarHBondContact O-CG 3.3Å; E1119-R1123 PolarHBondContact O-N 3.02Å; E1119-R1123 IonicContact OE1-CZ 2.74Å; E1119-R1123 IonicContact OE1-NH1 3.35Å; E1119-R1123 PolarHBondContact OE1-NH1 3.28Å; E1119-R1123 IonicContact OE1-NH2 2.67Å; E1119-R1123 PolarHBondContact OE1-NH2 3.49Å; E1119-R1123 IonicContact OE2-CZ 3.19Å; E1119-R1123 IonicContact OE2-NH1 3.56Å; E1119-R1123 PolarHBondContact OE2-NH1 2.89Å; E1119-R1123 IonicContact OE2-NH2 2.91Å; A1120-R1123 PolarHBondContact O-N 3.02Å; R1121-R1123 PolarHBondContact O-N 3.39Å; R1123-A1125 VanDerWaalsContact C-N 3.29Å; R1123-A1125 PolarHBondContact O-N 3.11Å; R1123-G1126 PolarHBondContact O-N 3Å; R1123-G1126 VanDerWaalsContact O-N 3.13Å; R1123-T1128 HydrophobicContact CG-CG2 4.28Å
1124	Q	49.4	Very low	49.9	Very low	176 Å²	176	116.1 Å²	116.1	82%	0.822	61%	0.614	S	S	*	*	H	α-helix	trans	-66.7	-28.1	174.6	-84.3	-175.3	-40.5	0	0	113.4	A1120 R1121 G1126	A1120-Q1124 PolarHBondContact O-N 3.2Å; R1121-Q1124 PolarHBondContact O-N 2.69Å; Q1124-G1126 VanDerWaalsContact C-N 3.27Å
1125	A	54.5	Low	49.2	Very low	64 Å²	64	119.6 Å²	119.6	53%	0.529	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-3.3	172.9	0	0	0	0	0	113.7	R1121 M1122 R1123 L1127	R1121-A1125 WeakPolarHBondContact O-CB 3.17Å; R1121-A1125 PolarHBondContact O-N 3.39Å; M1122-A1125 PolarHBondContact O-N 3.24Å; R1123-A1125 VanDerWaalsContact C-N 3.29Å; R1123-A1125 PolarHBondContact O-N 3.11Å; A1125-L1127 VanDerWaalsContact C-N 3.26Å; A1125-L1127 HydrophobicContact CB-CD1 4Å; A1125-L1127 HydrophobicContact CB-CG 3.95Å; A1125-L1127 PolarHBondContact O-N 3.48Å
1126	G	50.4	Low	48.4	Very low	58 Å²	58	121.6 Å²	121.6	60%	0.598	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	11.1	-179.3	0	0	0	0	0	114.9	M1122 R1123 Q1124 T1128	M1122-G1126 PolarHBondContact O-N 3.11Å; R1123-G1126 PolarHBondContact O-N 3Å; R1123-G1126 VanDerWaalsContact O-N 3.13Å; Q1124-G1126 VanDerWaalsContact C-N 3.27Å; G1126-T1128 PolarHBondContact O-N 2.84Å; G1126-T1128 VanDerWaalsContact O-N 3.09Å
1127	L	49.9	Very low	47.4	Very low	115 Å²	115	122 Å²	122	60%	0.602	66%	0.66	S	S	*	*			trans	-84.7	28.3	-171.9	-60	177.1	0	0	0	113.6	M1122 A1125	M1122-L1127 PolarHBondContact O-N 3.32Å; A1125-L1127 VanDerWaalsContact C-N 3.26Å; A1125-L1127 HydrophobicContact CB-CD1 4Å; A1125-L1127 HydrophobicContact CB-CG 3.95Å; A1125-L1127 PolarHBondContact O-N 3.48Å
1128	T	59.1	Low	46.3	Very low	62 Å²	62	122.6 Å²	122.6	38%	0.38	68%	0.675	S	S	.	*	S	Bend	trans	-136.4	126.7	-179.5	55.9	0	0	0	0	110.7	R1123 G1126	R1123-T1128 HydrophobicContact CG-CG2 4.28Å; G1126-T1128 PolarHBondContact O-N 2.84Å; G1126-T1128 VanDerWaalsContact O-N 3.09Å
1129	P	42.6	Very low	45.5	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-61.7	147.6	-179.5	-24.2	34.4	0	0	0	113.9
1130	P	36.8	Very low	44.5	Very low	130 Å²	130	127.5 Å²	127.5	84%	0.844	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-74	133	177.7	30.2	-34.3	0	0	0	111.9
1131	S	37	Very low	43.7	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-83.8	140.4	-178.9	55.1	0	0	0	0	113.5	M1133	S1131-M1133 PolarHBondContact O-N 2.78Å
1132	L	42.9	Very low	42.7	Very low	185 Å²	185	135.2 Å²	135.2	97%	0.969	75%	0.754	S	S	*	*	S	Bend	trans	-78.3	51.4	-176.6	-74.5	170.6	0	0	0	113.7
1133	M	34.3	Very low	41.4	Very low	170 Å²	170	138.7 Å²	138.7	84%	0.837	77%	0.774	S	S	*	*			trans	-141.2	49.4	-176.5	-123.1	176.4	79.3	0	0	115.7	S1131	S1131-M1133 PolarHBondContact O-N 2.78Å
1134	K	39.7	Very low	40	Very low	202 Å²	202	138 Å²	138	88%	0.878	79%	0.789	S	S	*	*			trans	-141.1	71.1	166.8	-74.3	-166.7	176.7	-179.8	0	113.8
1135	R	36.1	Very low	39	Very low	253 Å²	253	137.6 Å²	137.6	96%	0.955	79%	0.792	S	S	*	*			trans	-145.3	72.3	163.9	-95.1	-161.7	-80.4	-170.9	-4.6	112.7
1136	S	36.1	Very low	37.9	Very low	123 Å²	123	143.4 Å²	143.4	86%	0.86	81%	0.808	S	S	*	*	S	Bend	trans	-151.6	-0.5	171.4	54.5	0	0	0	0	115.2
1137	A	35.1	Very low	36.9	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	82%	0.821	S	S	*	*	S	Bend	trans	-125.2	31.5	-168.3	0	0	0	0	0	114.2
1138	S	34.1	Very low	35.9	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	83%	0.831	S	S	*	*	S	Bend	trans	-147.2	9.7	-177	-49.6	0	0	0	0	115.9
1139	L	35.4	Very low	34.6	Very low	174 Å²	174	150.1 Å²	150.1	91%	0.911	85%	0.85	S	S	*	*	S	Bend	trans	-100.8	-0.2	179.8	-95.7	166.4	0	0	0	114.7
1140	A	35.5	Very low	34	Very low	104 Å²	104	150.8 Å²	150.8	86%	0.86	85%	0.847	S	S	*	*	S	Bend	trans	-100.4	31.1	-178.3	0	0	0	0	0	113.4
1141	K	37.7	Very low	33.6	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	85%	0.85	S	S	*	*	S	Bend	trans	-153.5	20.9	-177.9	-142.5	178.5	-177.9	178.7	0	116.3
1142	L	33.8	Very low	33.2	Very low	173 Å²	173	154.8 Å²	154.8	91%	0.906	85%	0.851	S	S	*	*			trans	-137	63.7	171.6	-73.4	177.5	0	0	0	109.5
1143	D	28.3	Very low	32.4	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	84%	0.841	S	S	*	*			trans	-121	97.2	165.7	-174.7	16.8	0	0	0	107
1144	C	31.6	Very low	32.1	Very low	123 Å²	123	150.3 Å²	150.3	83%	0.831	84%	0.84	S	S	*	*			trans	161.7	97.6	173.4	-93.7	0	0	0	0	109.2
1145	L	28.3	Very low	31.4	Very low	166 Å²	166	147 Å²	147	87%	0.869	83%	0.831	S	S	*	*			trans	-175.1	104.8	143	-107.2	168	0	0	0	109.6
1146	E	31.8	Very low	30.9	Very low	187 Å²	187	141.1 Å²	141.1	87%	0.874	82%	0.818	S	S	*	*			trans	-76.4	140.6	165.7	-60.2	176.6	127	0	0	109.5
1147	L	29.2	Very low	30.4	Very low	167 Å²	167	141.4 Å²	141.4	87%	0.874	81%	0.809	S	S	*	*			trans	-136.2	135.3	160.6	-75	178.1	0	0	0	109
1148	S	28.2	Very low	30.1	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	81%	0.808	S	S	*	*			trans	-84.7	150.4	-166.3	50.9	0	0	0	0	113.8	N1150	S1148-N1150 PolarHBondContact O-N 2.6Å
1149	A	31.6	Very low	30	Very low	95 Å²	95	143 Å²	143	79%	0.785	81%	0.807	S	S	*	*	S	Bend	trans	-68.7	109.6	164.1	0	0	0	0	0	110.7
1150	N	29.9	Very low	29.8	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	81%	0.805	S	S	*	*			trans	176.9	84.9	144.4	-91.4	-16.7	0	0	0	110.5	S1148	S1148-N1150 PolarHBondContact O-N 2.6Å
1151	D	28.7	Very low	29.4	Very low	172 Å²	172	141.9 Å²	141.9	92%	0.92	80%	0.804	S	S	*	*			trans	-138.9	124.5	148.4	-92.3	-43.1	0	0	0	105.9
1152	L	28.5	Very low	28.9	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	80%	0.802	S	S	*	*			trans	-132.8	151	-171.4	-86.9	172.3	0	0	0	110.3
1153	C	27	Very low	28.7	Very low	113 Å²	113	135 Å²	135	76%	0.764	80%	0.795	S	S	*	*			trans	69.2	150.1	175.9	-59.1	0	0	0	0	113.7
1154	D	27	Very low	28.6	Very low	149 Å²	149	132.5 Å²	132.5	80%	0.797	79%	0.79	S	S	*	*			cis	-138.2	-163.5	31.1	-110.3	-38.6	0	0	0	115.4
1155	L	26.2	Very low	28.5	Very low	133 Å²	133	132.3 Å²	132.3	70%	0.696	79%	0.79	S	S	*	*			trans	-83.1	167.4	-154.2	-93.5	70.3	0	0	0	119.6
1156	D	24.1	Very low	28.4	Very low	128 Å²	128	129 Å²	129	68%	0.684	78%	0.78	S	S	*	*			trans	73.9	157.6	143	-72.5	-0.4	0	0	0	123
1157	L	26.9	Very low	28.2	Very low	129 Å²	129	124.9 Å²	124.9	68%	0.675	77%	0.773	S	S	*	*			cis	-173	122.3	-47.9	-118.2	-176.3	0	0	0	110.4
1158	T	28.7	Very low	27.9	Very low	123 Å²	123	122 Å²	122	76%	0.755	77%	0.765	S	S	*	*			trans	58.3	164.4	155.2	40.5	0	0	0	0	120.5
1159	P	32.6	Very low	27.6	Very low	115 Å²	115	125 Å²	125	75%	0.747	77%	0.766	S	S	*	*			trans	-85.9	155.6	-176.6	33.8	-36.2	0	0	0	114.5
1160	P	30.6	Very low	27.2	Very low	135 Å²	135	126.9 Å²	126.9	88%	0.877	76%	0.763	S	S	*	*			trans	-79.9	157.8	-176.3	32.6	-36.5	0	0	0	114.5
1161	S	25.8	Very low	26.9	Very low	120 Å²	120	125.1 Å²	125.1	84%	0.839	76%	0.762	S	S	*	*			trans	-134.4	165.7	-177.4	62.4	0	0	0	0	112.6
1162	S	27.7	Very low	26.8	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	76%	0.755	S	S	*	*			trans	-169.6	154	165.6	52	0	0	0	0	110.6
1163	S	29.5	Very low	26.7	Very low	108 Å²	108	123.2 Å²	123.2	76%	0.755	76%	0.755	S	S	*	*			cis	-177.4	149.3	-22.5	51.4	0	0	0	0	109.1
1164	S	27.8	Very low	27.3	Very low	104 Å²	104	122.9 Å²	122.9	73%	0.727	75%	0.751	S	S	*	*			cis	-174.5	179.5	-18.4	58.1	0	0	0	0	109
1165	S	27.5	Very low	27.1	Very low	118 Å²	118	122.4 Å²	122.4	83%	0.825	75%	0.749	S	S	*	*			trans	75.4	152.9	169.8	84	0	0	0	0	117.3
1166	S	27.8	Very low	27.5	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	75%	0.754	S	S	*	*			cis	-151.3	159.7	12.9	63.4	0	0	0	0	116.2
1167	S	26.5	Very low	27.7	Very low	101 Å²	101	123.7 Å²	123.7	71%	0.706	76%	0.762	S	S	*	*			trans	70.5	137.4	144	58.7	0	0	0	0	124
1168	C	22.5	Very low	27.7	Very low	107 Å²	107	126.6 Å²	126.6	72%	0.723	76%	0.764	S	S	*	*			trans	71.4	129.3	162.7	-61.2	0	0	0	0	117.3
1169	Q	23.4	Very low	27.8	Very low	175 Å²	175	128 Å²	128	82%	0.818	76%	0.759	S	S	*	*				67.4	133.5	59.5	-72.4	-173.2	-32	0	0	112.4
1170	D	22.4	Very low	27.7	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	76%	0.762	S	S	*	*			cis	-157.8	168.9	12.5	-157.1	-6	0	0	0	112
1171	S	23.9	Very low	27.5	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	76%	0.756	S	S	*	*			trans	62.7	155.6	154.8	70.4	0	0	0	0	119.4
1172	S	25.6	Very low	27.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	75%	0.752	S	S	*	*			cis	-163.4	143.7	-12.7	45	0	0	0	0	111.4
1173	H	27.3	Very low	27.5	Very low	173 Å²	173	135 Å²	135	80%	0.801	75%	0.746	S	S	*	*			trans	-70.2	160.7	154.3	-120.4	-91.8	0	0	0	109.3
1174	P	38.7	Very low	27.3	Very low	106 Å²	106	137 Å²	137	69%	0.688	75%	0.748	S	S	*	*				-156.1	170.5	72.3	42.2	-21.3	0	0	0	118.9
1175	D	24.4	Very low	27.1	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	75%	0.746	S	S	*	*			trans	50.9	120	140.4	-57.4	-1.9	0	0	0	125.3
1176	D	34.4	Very low	27	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	75%	0.748	S	S	*	*			trans	-14.8	138.5	136.7	-73.2	-57.5	0	0	0	119.1
1177	T	28.3	Very low	27	Very low	139 Å²	139	141.6 Å²	141.6	85%	0.853	75%	0.754	S	S	*	*			trans	-140.5	156.9	147.4	37.5	0	0	0	0	111.9
1178	W	27.3	Very low	27.5	Very low	189 Å²	189	143 Å²	143	72%	0.716	76%	0.762	S	S	*	*			trans	-143.1	163	-146.7	50.7	-109.4	0	0	0	117.5
1179	K	30.8	Very low	27.8	Very low	152 Å²	152	143 Å²	143	66%	0.661	76%	0.762	S	S	*	*			trans	53.3	135.8	165	-41.5	175.3	-163.4	102.7	0	120
1180	K	29.4	Very low	28.9	Very low	186 Å²	186	140.3 Å²	140.3	81%	0.809	76%	0.76	S	S	*	*				-160.7	125.9	112.8	-99.1	146.9	-173.2	171.1	0	108.9
1181	Q	26.9	Very low	29.2	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.743	76%	0.759	S	S	*	*				74.6	125	90	-156.7	-178.8	25.6	0	0	110.6
1182	K	28.8	Very low	29.3	Very low	174 Å²	174	139.9 Å²	139.9	76%	0.757	76%	0.761	S	S	*	*				-177.3	130.1	68	-143.1	157.6	169.3	-170.2	0	107.6
1183	V	24.4	Very low	29.5	Very low	112 Å²	112	139.2 Å²	139.2	68%	0.679	76%	0.757	S	S	*	*				87.1	119.3	101.2	165.7	0	0	0	0	118.7
1184	L	24.6	Very low	30.4	Very low	151 Å²	151	136.1 Å²	136.1	79%	0.791	75%	0.752	S	S	*	*			trans	45.3	126.8	137.4	-57.9	177.6	0	0	0	124.4
1185	S	23.8	Very low	30	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	76%	0.757	S	S	*	*				96.9	139.1	118.3	-78.8	0	0	0	0	124.7
1186	L	25.7	Very low	31.3	Very low	164 Å²	164	135 Å²	135	86%	0.859	76%	0.755	S	S	*	*			trans	83	130.4	142.6	-75.6	161.7	0	0	0	122.1
1187	N	27.1	Very low	32.3	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	75%	0.754	S	S	*	*			trans	-76.9	172.4	162	-67	-13.7	0	0	0	111.2
1188	P	37.5	Very low	32.4	Very low	132 Å²	132	131.2 Å²	131.2	86%	0.857	74%	0.743	S	S	*	*				-137.1	162.4	115.5	38.2	-29.1	0	0	0	115.3
1189	S	29.3	Very low	32.6	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	75%	0.746	S	S	*	*			trans	-107	167.4	169.1	54.7	0	0	0	0	111.6
1190	P	45.2	Very low	32.7	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	75%	0.75	S	S	*	*				-125.5	154.4	106.7	1.4	20.9	0	0	0	112.3
1191	A	30.4	Very low	32.8	Very low	83 Å²	83	124 Å²	124	69%	0.686	75%	0.745	S	S	*	*				67.9	134.8	66.2	0	0	0	0	0	112.8
1192	D	25.5	Very low	33	Very low	142 Å²	142	121.5 Å²	121.5	76%	0.759	75%	0.745	S	S	*	*			cis	-143.9	154.6	21.9	-95.8	-54.5	0	0	0	111.5
1193	S	29.2	Very low	33.1	Very low	96 Å²	96	118 Å²	118	67%	0.671	74%	0.743	S	S	*	*				81.4	151.7	57.2	-49.5	0	0	0	0	114.5
1194	P	47.3	Very low	33.4	Very low	108 Å²	108	123.5 Å²	123.5	70%	0.701	75%	0.751	S	S	*	*			cis	-147.5	157.2	-23.4	36.7	-15.9	0	0	0	119
1195	S	29.7	Very low	33.7	Very low	112 Å²	112	122.4 Å²	122.4	78%	0.783	75%	0.746	S	S	*	*			trans	78	-176.1	136.1	77	0	0	0	0	122
1196	P	52	Low	34.1	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	74%	0.742	S	S	*	*				-138.3	-146.8	-103	46	-24.1	0	0	0	113.5
1197	P	55.3	Low	34.3	Very low	118 Å²	118	123.8 Å²	123.8	77%	0.766	75%	0.747	S	S	*	*			cis	-115	-172.2	-33.2	35.5	-15.7	0	0	0	111.7
1198	S	30.8	Very low	34.4	Very low	90 Å²	90	119.8 Å²	119.8	63%	0.629	74%	0.742	S	S	*	*			cis	-178.8	166.2	44.9	59.4	0	0	0	0	115.7
1199	H	31.2	Very low	34.2	Very low	170 Å²	170	118.3 Å²	118.3	79%	0.787	74%	0.741	S	S	*	*			trans	69.2	115.7	154.9	-65.5	-58.7	0	0	0	124.1
1200	S	33.1	Very low	34.3	Very low	106 Å²	106	121.5 Å²	121.5	74%	0.741	74%	0.744	S	S	*	*			trans	40.8	144.7	135.5	49.8	0	0	0	0	122.8
1201	S	31.4	Very low	33.6	Very low	99 Å²	99	121 Å²	121	69%	0.692	74%	0.739	S	S	*	*			cis	-169.7	157.9	4.5	42.8	0	0	0	0	113.4
1202	S	31.2	Very low	33.7	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	75%	0.748	S	S	*	*			trans	60.4	139.6	151.6	53.7	0	0	0	0	120.9
1203	S	31.3	Very low	33.9	Very low	100 Å²	100	122 Å²	122	70%	0.699	75%	0.752	S	S	*	*			cis	-176.4	134.7	-8.5	48.4	0	0	0	0	113.3
1204	R	30.3	Very low	33.9	Very low	228 Å²	228	125.4 Å²	125.4	86%	0.86	76%	0.762	S	S	*	*			trans	63.6	162.9	150.5	-62.2	-165.5	162.7	153	-4.1	118.8
1205	D	30.1	Very low	32.9	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	77%	0.766	S	S	*	*			cis	-172.4	168.7	-29.5	-94	-37.2	0	0	0	104.9
1206	S	32	Very low	32.9	Very low	87 Å²	87	126 Å²	126	61%	0.608	77%	0.768	S	S	*	*			cis	164.1	133.2	-24.2	-77.5	0	0	0	0	105.4
1207	E	31.4	Very low	31.7	Very low	204 Å²	204	124 Å²	124	95%	0.953	77%	0.768	S	S	*	*			trans	63	169	165.7	-56.4	177.7	140.3	0	0	117.5
1208	G	29	Very low	30.4	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	77%	0.774	S	S	*	*			cis	172	142.8	-14.2	0	0	0	0	0	114.5
1209	A	32.2	Very low	30.3	Very low	100 Å²	100	124.7 Å²	124.7	83%	0.826	78%	0.782	S	S	*	*			trans	61.4	158.3	152.7	0	0	0	0	0	125.3
1210	E	31.2	Very low	31	Very low	173 Å²	173	122.1 Å²	122.1	81%	0.808	78%	0.781	S	S	*	*			trans	83.3	129.5	149.7	-55.6	-125.8	100.9	0	0	125.5
1211	T	32.2	Very low	30.9	Very low	108 Å²	108	122.2 Å²	122.2	66%	0.663	78%	0.781	S	S	*	*			trans	50.2	138.3	140.8	59.8	0	0	0	0	126.3
1212	D	31.2	Very low	30.7	Very low	165 Å²	165	122 Å²	122	88%	0.882	78%	0.78	S	S	*	*			trans	56	145.9	142.7	-63.9	-10.2	0	0	0	123.1
1213	G	29.1	Very low	30.7	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	78%	0.779	S	S	*	*			trans	154.3	127.8	162.6	0	0	0	0	0	116.8
1214	L	29.6	Very low	30.6	Very low	169 Å²	169	128.3 Å²	128.3	89%	0.885	79%	0.786	S	S	*	*			trans	-84.9	143.6	-179.5	-77.4	159.7	0	0	0	114.5
1215	S	27.7	Very low	30.4	Very low	113 Å²	113	121.3 Å²	121.3	79%	0.79	79%	0.785	S	S	*	*			trans	79.8	145.1	140.9	79	0	0	0	0	122.8
1216	S	29.4	Very low	30.4	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	80%	0.799	S	S	*	*			trans	61.8	103.6	140.5	-175.8	0	0	0	0	121.8
1217	G	26.6	Very low	30.2	Very low	70 Å²	70	127.1 Å²	127.1	72%	0.722	81%	0.809	S	S	*	*				122.1	138.5	115.5	0	0	0	0	0	119.7
1218	A	28.2	Very low	30.1	Very low	106 Å²	106	126.7 Å²	126.7	88%	0.876	81%	0.806	S	S	*	*			trans	57.1	116	155.1	0	0	0	0	0	121.1
1219	S	29	Very low	30	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	81%	0.809	S	S	*	*			trans	-71	160.9	153.4	-38.5	0	0	0	0	110.9
1220	P	45.5	Very low	29.8	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	80%	0.799	S	S	*	*				-148	167.5	86.6	38.9	-21.7	0	0	0	117.1
1221	S	29.4	Very low	29.7	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	80%	0.8	S	S	*	*			trans	-8.2	146.1	160.2	58.1	0	0	0	0	119.4
1222	S	28.8	Very low	29.5	Very low	95 Å²	95	135.2 Å²	135.2	66%	0.664	81%	0.806	S	S	*	*				178.8	157.9	68.6	-162.2	0	0	0	0	115.5
1223	Q	30.1	Very low	29.4	Very low	156 Å²	156	137.3 Å²	137.3	73%	0.729	80%	0.802	S	S	*	*			trans	63.9	118.2	150.1	-80.2	169.9	6	0	0	124.5
1224	Q	29.3	Very low	29.3	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	80%	0.801	S	S	*	*				68.6	123.7	129.3	-64.2	176.3	7.8	0	0	122.2
1225	G	27.1	Very low	29.2	Very low	81 Å²	81	138.8 Å²	138.8	84%	0.835	80%	0.795	S	S	*	*			trans	-178.6	104.6	163.7	0	0	0	0	0	113.8
1226	R	29.3	Very low	29.2	Very low	258 Å²	258	138.8 Å²	138.8	97%	0.974	80%	0.795	S	S	*	*			trans	-66.3	151.6	-175.3	-61.1	170.2	169.7	-167.4	-4	114.4
1227	G	27.6	Very low	29.2	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	79%	0.789	S	S	*	*			trans	175.9	124.4	157.6	0	0	0	0	0	115
1228	H	29.2	Very low	29.4	Very low	195 Å²	195	141.1 Å²	141.1	90%	0.903	79%	0.788	S	S	*	*			trans	-127.4	138.3	-179.3	-99.5	-75.2	0	0	0	112.4
1229	S	28.4	Very low	29.5	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	79%	0.79	S	S	*	*			trans	66	149.3	156.4	-127	0	0	0	0	116.7
1230	S	27.3	Very low	29.5	Very low	88 Å²	88	152.1 Å²	152.1	62%	0.615	79%	0.79	S	S	*	*			cis	-168.1	164.7	22.8	-140.9	0	0	0	0	114.5
1231	R	29	Very low	28.8	Very low	221 Å²	221	158.5 Å²	158.5	83%	0.834	80%	0.798	S	S	*	*			trans	62.5	105.4	144.5	-75.8	168.4	176.4	-167.9	0.2	122.8
1232	R	28.4	Very low	28.7	Very low	209 Å²	209	157.4 Å²	157.4	79%	0.789	80%	0.796	S	S	*	*				86.9	139.3	104.3	-154.1	-166.3	-166	-175.9	6.9	120.2
1233	R	28.7	Very low	28.7	Very low	210 Å²	210	159.7 Å²	159.7	79%	0.792	81%	0.806	S	S	*	*			trans	87.3	148.1	166.4	-62.4	-172.7	168.7	173.4	-3.4	116.5
1234	K	27.6	Very low	28.5	Very low	189 Å²	189	156.3 Å²	156.3	82%	0.822	81%	0.805	S	S	*	*			cis	-172.9	145.4	-22.1	179	-176	179.2	-168.3	0	108.8
1235	A	26.8	Very low	28.6	Very low	91 Å²	91	154.9 Å²	154.9	75%	0.752	80%	0.802	S	S	*	*			trans	67.6	158.2	163.5	0	0	0	0	0	117.4
1236	S	27.3	Very low	28.7	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	80%	0.797	S	S	*	*			cis	-168	163.4	-24.6	-171.8	0	0	0	0	110.4
1237	A	29.4	Very low	28.5	Very low	86 Å²	86	156.7 Å²	156.7	71%	0.711	80%	0.795	S	S	*	*			trans	70.4	156	157	0	0	0	0	0	119.7
1238	E	31	Very low	28.4	Very low	152 Å²	152	159.4 Å²	159.4	71%	0.71	79%	0.791	S	S	*	*			cis	-173.9	130.2	-27.4	170.4	162.6	-142.7	0	0	111.8
1239	R	30	Very low	28.3	Very low	242 Å²	242	156.1 Å²	156.1	91%	0.913	79%	0.785	S	S	*	*				-163.6	143.4	128.2	-133	156.1	-80	-152.3	-5.3	114.1
1240	R	30.1	Very low	28.3	Very low	211 Å²	211	161.1 Å²	161.1	80%	0.796	80%	0.799	S	S	*	*			trans	-123.2	147.2	176.1	-67.9	169.6	166.7	169.4	-7.2	110.9
1241	R	30.1	Very low	28.3	Very low	250 Å²	250	164.8 Å²	164.8	94%	0.943	81%	0.808	S	S	*	*			trans	-154.4	119.8	142.2	-69.6	-169.1	-178.6	138	-2	105.4
1242	A	27.1	Very low	28.3	Very low	86 Å²	86	161.8 Å²	161.8	71%	0.711	81%	0.806	S	S	*	*			cis	73.5	88.9	12.6	0	0	0	0	0	115.9
1243	V	28.5	Very low	28.3	Very low	142 Å²	142	159.2 Å²	159.2	86%	0.861	81%	0.807	S	S	*	*			trans	-133.5	121.6	137	177.5	0	0	0	0	106.7
1244	A	26.7	Very low	28.3	Very low	86 Å²	86	156.2 Å²	156.2	71%	0.711	81%	0.808	S	S	*	*			trans	-149.6	132.3	167.5	0	0	0	0	0	107.1
1245	L	30.5	Very low	28.3	Very low	153 Å²	153	154.1 Å²	154.1	80%	0.801	81%	0.807	S	S	*	*			trans	-130.7	109.8	172.7	-67	168.9	0	0	0	105.3
1246	L	29.3	Very low	28.4	Very low	138 Å²	138	158.3 Å²	158.3	72%	0.723	81%	0.811	S	S	*	*				59.3	88.2	69.8	-71.2	163.3	0	0	0	112.1
1247	Y	24.8	Very low	28.5	Very low	239 Å²	239	161.6 Å²	161.6	94%	0.937	81%	0.813	S	S	*	*				-133.9	128.8	124.8	-109.3	-85.3	0	0	0	108.1
1248	N	25.4	Very low	28.4	Very low	136 Å²	136	167.4 Å²	167.4	73%	0.727	82%	0.82	S	S	*	*			trans	-152.2	140.3	177	-143.3	6	0	0	0	106.6
1249	T	28.3	Very low	28.2	Very low	126 Å²	126	168.7 Å²	168.7	77%	0.773	83%	0.83	S	S	*	*			trans	46.6	92.6	173.2	58.7	0	0	0	0	117.2
1250	M	28.1	Very low	28.1	Very low	215 Å²	215	162 Å²	162	100%	1.059	82%	0.822	S	S	*	*				-126.8	0	108.1	-66.5	-153.9	-52.8	0	0	107.9

Retrieved 1,250 of 1,250 residues in 587 ms (Link to these results)

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