A0A087X4M2_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087X4M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,147 aa.

						>A0A087X4M2_POEFO|A0A087X4M2
MSSQLQVFSPPSISSSAFCRVKKLKVESNVWDVSTTEAYGSIAGQSAYAFTPAMAVPPFAPSLVFPPAATGSRSQVVVRAADSTGSLPRGSSRRVPEQATSSSYNHETSSEARSQRHGQKRKIEEVSEGSGSGCGSVQILEELSAPAATYSTRTGRGGGGGTGQSIPHSAPTTKSSSSNGEGDYQLVQHEILCSMSSSYEVLEFLGRGTFGQVAKCWKRGTNEIVAIKILKNHPSYARQGQIEVGILNRLSAENADEYNFVRSYECFQHKGHTCLVFEMLEQNLYDFLKHSKFSPLPLRHIRPILQQVATALMKLKSLGLIHADLKPENIMLVDPIRQPYRVKVIDFGSASHVSKAVCSTYLQSRYYRAPEIILGLPFCEAIDMWSLGCVIAELFLGWPLYPGASEYDQIRYISQTQGLPAEYLLSAGTKTSRFFNRGPDSSYPLWRLKTPAEHEMEMGIKSKEARKYIFNCLDDMMQVNLSSHLEGTDMLAEKADRREFIDLLKRMLRLDADKRITPTKTLGHPFVTMSHLINYPHSSHVKSCFQNMEICKRRSTYDSSKSLYSTNAVPSAAAGNLTVTFSSQLNQHNQVPSAGGAVPLLNYQPALYQQATINIPGLAQQSVPLPARPAGLCTQTEPFQQTLIVCPPSTIQGLQPSSKSSSFPVRVENSVPIVPQNQSAQSLQIQPSMLTQGSCTPLMVATLHPPPPGIAPQYSLPLGLGPGVGRPALLEHTATVLQAWPTGTQQILIPSSWQQVPGVAIHGSAHQANVTESPLEAIHSGAAVQTGQSWRNGSQARTQQERKKGKARCGENRNRVVSTTSILSSGVTPPTSSVALSQPIVISDTPSPAVSIITIHSDTDTEDERKFHPASIGLSRTERTNVISCVTVHDSDSSTTSPLTPLPRSLNAAGPLSSRQPKSLAVVAPSVKSQTSERAAASHGRVETGTYMKPKRSSNRQPCSSGESLDRAALVPSQSHPLNLSQVQSVVSSSQERSLVSHGDSSLHRQQTFPPAVPASHYSFPEVTALAPGPAAAAAAAAAAAASLYTYPASTALSSASQAMEQLLSRGHGSHGHSPSAYAATYASSSSSSRRDSAGRKESVSSLLHGLPAAYQHQFAAGSPYVSVTPRAEAYSAYQLSPRRLTQYPYL
					

Structure Viewer

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	41.8	Very low	28.9	Very low	248 Å²	248	154.3 Å²	154.3	100%	1.222	86%	0.857	S	S	*	*				0	130.7	0	-63.3	168.3	74.9	0	0	108.2
2	S	26.8	Very low	28.7	Very low	129 Å²	129	151.3 Å²	151.3	90%	0.902	86%	0.855	S	S	*	*			trans	-168.6	150.7	158.9	-170.9	0	0	0	0	107.7
3	S	34	Very low	28.7	Very low	107 Å²	107	152 Å²	152	75%	0.748	85%	0.852	S	S	*	*			trans	-141.6	137.7	-174.7	50.6	0	0	0	0	111.1
4	Q	27.5	Very low	28.3	Very low	196 Å²	196	149.9 Å²	149.9	92%	0.916	85%	0.853	S	S	*	*			trans	-138.8	136.9	158.4	-92.5	-172.8	-20.9	0	0	109.3
5	L	27.8	Very low	28.2	Very low	170 Å²	170	148.1 Å²	148.1	89%	0.89	85%	0.853	S	S	*	*			trans	-82.7	153.7	168.4	-67.1	90.2	0	0	0	109.1
6	Q	25.2	Very low	28.1	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	85%	0.853	S	S	*	*			trans	-122.8	139.5	166.9	-154.9	169.8	19.8	0	0	109.8
7	V	24.7	Very low	28	Very low	126 Å²	126	142.5 Å²	142.5	76%	0.764	84%	0.841	S	S	*	*			trans	-100.3	143.2	-173.2	175.9	0	0	0	0	109.8
8	F	24.5	Very low	27.9	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.873	85%	0.848	S	S	*	*			trans	-111.2	131.7	168.1	-88.6	-84.7	0	0	0	111.1
9	S	26.5	Very low	27.9	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-97.3	151	173	-59.2	0	0	0	0	110.8
10	P	28.6	Very low	27.8	Very low	122 Å²	122	150.4 Å²	150.4	79%	0.792	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-76.6	145.6	178.3	31.5	-35	0	0	0	112.3
11	P	30.3	Very low	27.8	Very low	117 Å²	117	150.1 Å²	150.1	76%	0.76	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-85.5	143	176.4	33.7	-34.1	0	0	0	112.9
12	S	27.5	Very low	27.1	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-87.5	142.9	167.2	52.7	0	0	0	0	111.5
13	I	27.7	Very low	27.2	Very low	160 Å²	160	151.1 Å²	151.1	82%	0.821	83%	0.832	S	S	*	*			trans	-138.5	122.2	171.4	-44.2	178.7	0	0	0	110.1
14	S	23.6	Very low	26.8	Very low	123 Å²	123	154 Å²	154	86%	0.86	84%	0.838	S	S	*	*			trans	-76.9	151	170.7	-55.2	0	0	0	0	111.2
15	S	26.7	Very low	26.6	Very low	123 Å²	123	152.3 Å²	152.3	86%	0.86	83%	0.827	S	S	*	*			trans	-120.4	115.5	172	-169.1	0	0	0	0	111.5
16	S	27.3	Very low	26.5	Very low	121 Å²	121	150.5 Å²	150.5	85%	0.846	82%	0.823	S	S	*	*			trans	-125.9	122.4	166.7	56.1	0	0	0	0	108.5
17	A	26.6	Very low	26.5	Very low	79 Å²	79	148.6 Å²	148.6	65%	0.653	82%	0.815	S	S	*	*			trans	-145.4	92.5	-173.3	0	0	0	0	0	112.5
18	F	25.6	Very low	26.5	Very low	222 Å²	222	147.4 Å²	147.4	97%	0.974	81%	0.811	S	S	*	*			trans	-70.3	124.5	152.4	-99	-97.7	0	0	0	108.5
19	C	28.4	Very low	26.5	Very low	115 Å²	115	145.3 Å²	145.3	78%	0.777	81%	0.809	S	S	*	*			trans	-121.7	114.6	172.4	-77.8	0	0	0	0	112.1
20	R	25.6	Very low	26.5	Very low	249 Å²	249	146 Å²	146	94%	0.94	81%	0.809	S	S	*	*			trans	-71.2	128	162.3	-88.7	176.5	163.9	161.2	-4.8	109.3
21	V	27.3	Very low	26.4	Very low	144 Å²	144	151.1 Å²	151.1	87%	0.873	81%	0.813	S	S	*	*			trans	-72.6	130.7	168.4	179.4	0	0	0	0	109.7
22	K	27.7	Very low	26.2	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.896	81%	0.812	S	S	*	*			trans	-115	136.9	163.2	-142.4	177.6	-175.7	-175.2	0	108.3
23	K	27.8	Very low	26.1	Very low	192 Å²	192	151.6 Å²	151.6	84%	0.835	80%	0.804	S	S	*	*			trans	-82.9	126.8	-161.5	-172.7	178.2	-176.1	178	0	112.1
24	L	25.9	Very low	26	Very low	169 Å²	169	149.3 Å²	149.3	89%	0.885	80%	0.801	S	S	*	*			trans	-108.1	160.4	157.9	-142.5	80.2	0	0	0	109.4
25	K	24.3	Very low	26.2	Very low	159 Å²	159	149.4 Å²	149.4	69%	0.691	80%	0.797	S	S	*	*			trans	-140	119	-170.2	177	-153	167.9	-157.1	0	110.3	E27	K25-E27 IonicContact NZ-OE1 3.43Å; K25-E27 PolarHBondContact NZ-OE1 2.78Å
26	V	25.9	Very low	26.1	Very low	132 Å²	132	150.1 Å²	150.1	80%	0.8	80%	0.797	S	S	*	*			trans	-139	151.4	157.4	177.7	0	0	0	0	107.9
27	E	25	Very low	26.1	Very low	143 Å²	143	153.4 Å²	153.4	67%	0.668	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.6	169.5	-164.8	-73.6	97.2	-166.4	0	0	117.2	K25	K25-E27 IonicContact NZ-OE1 3.43Å; K25-E27 PolarHBondContact NZ-OE1 2.78Å
28	S	25	Very low	26.1	Very low	100 Å²	100	154 Å²	154	70%	0.699	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-88.6	133.5	173.2	53.2	0	0	0	0	112.4
29	N	24.2	Very low	26.1	Very low	155 Å²	155	154.7 Å²	154.7	83%	0.829	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.2	119.7	155	-80.7	-65.2	0	0	0	108.7
30	V	26.1	Very low	26	Very low	117 Å²	117	152.9 Å²	152.9	71%	0.709	80%	0.803	S	S	*	*			trans	-104.4	123.9	170.3	175.4	0	0	0	0	107.4	D32	V30-D32 HydrophobicContact CG1-CB 4.36Å
31	W	27	Very low	26.3	Very low	229 Å²	229	146.5 Å²	146.5	87%	0.867	80%	0.796	S	S	*	*			trans	-113.9	111.2	162.2	-77.9	84.9	0	0	0	107.1
32	D	24.6	Very low	26.2	Very low	138 Å²	138	147.8 Å²	147.8	74%	0.738	80%	0.796	S	S	*	*			trans	-136.9	128.6	168.8	-157.5	-11	0	0	0	107.1	V30	V30-D32 HydrophobicContact CG1-CB 4.36Å
33	V	26.1	Very low	26.4	Very low	108 Å²	108	142.5 Å²	142.5	66%	0.655	79%	0.791	S	S	*	*			trans	-131.1	101.5	-169.2	178.3	0	0	0	0	109.1
34	S	25.3	Very low	26.3	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	79%	0.791	S	S	*	*			trans	-132.5	79.9	169.4	43.1	0	0	0	0	109.7
35	T	27.6	Very low	26.4	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	79%	0.793	S	S	*	*			trans	-87.1	122.4	171.4	44.1	0	0	0	0	110.6
36	T	25.9	Very low	26.6	Very low	138 Å²	138	136.9 Å²	136.9	85%	0.847	80%	0.801	S	S	*	*			trans	-141	98.3	163.6	-55.8	0	0	0	0	108.6
37	E	25.5	Very low	26.6	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	79%	0.792	S	S	*	*			trans	-109.9	150	159.7	-71.2	-161.5	144.6	0	0	109.3
38	A	27.6	Very low	26.8	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	80%	0.804	S	S	*	*			trans	-130.8	146.8	177.9	0	0	0	0	0	109.5
39	Y	26.5	Very low	26.8	Very low	235 Å²	235	137.7 Å²	137.7	92%	0.922	80%	0.803	S	S	*	*			trans	-148.4	150.6	178.1	-119.4	-84	0	0	0	112.1
40	G	26.1	Very low	26.9	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	81%	0.806	S	S	*	*			trans	92	79.9	160.2	0	0	0	0	0	116.6
41	S	30.6	Very low	26.9	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	81%	0.809	S	S	*	*			trans	-110.9	140.2	163.8	-174.3	0	0	0	0	110.2
42	I	26.7	Very low	27.9	Very low	170 Å²	170	135.2 Å²	135.2	87%	0.872	81%	0.805	S	S	*	*			trans	179.4	144.8	165.6	-99.3	148.9	0	0	0	107.5
43	A	30.8	Very low	28	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	81%	0.808	S	S	*	*			cis	-163.9	153.2	-29.3	0	0	0	0	0	107.4
44	G	26	Very low	28.1	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	82%	0.822	S	S	*	*			trans	-179.2	116	175.8	0	0	0	0	0	113
45	Q	27.9	Very low	28.2	Very low	199 Å²	199	136 Å²	136	93%	0.93	82%	0.819	S	S	*	*			trans	-97.5	145	-174.8	-61.7	163.9	-30.6	0	0	111.7
46	S	27.7	Very low	28.3	Very low	123 Å²	123	136.8 Å²	136.8	86%	0.86	82%	0.823	S	S	*	*				-167.2	166.6	118.7	-158.9	0	0	0	0	110.6
47	A	27	Very low	28.7	Very low	73 Å²	73	134.6 Å²	134.6	60%	0.603	81%	0.811	S	S	*	*			trans	-104.7	160.1	-176.9	0	0	0	0	0	112.5
48	Y	29	Very low	29.3	Very low	235 Å²	235	131.5 Å²	131.5	92%	0.922	81%	0.807	S	S	*	*				-179	179.9	107.7	-95.6	-68.5	0	0	0	110.1
49	A	25.1	Very low	29.5	Very low	83 Å²	83	136.8 Å²	136.8	69%	0.686	81%	0.813	S	S	*	*			trans	-122.7	-174.1	-158	0	0	0	0	0	114.8
50	F	26.3	Very low	29.8	Very low	200 Å²	200	129.6 Å²	129.6	88%	0.877	80%	0.803	S	S	*	*			trans	90.8	154.9	173.2	-76	-85	0	0	0	119.3
51	T	26.8	Very low	30.5	Very low	128 Å²	128	132 Å²	132	79%	0.785	80%	0.804	S	S	*	*			trans	-130.6	-162.4	-159.7	55.9	0	0	0	0	110.1
52	P	46.1	Very low	30.4	Very low	121 Å²	121	131.7 Å²	131.7	79%	0.786	80%	0.802	S	S	*	*				-118.7	164.2	-103.8	36.7	-19.8	0	0	0	114.7
53	A	27.4	Very low	30.5	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	80%	0.801	S	S	*	*			trans	-154.4	130.1	169.3	0	0	0	0	0	115.1
54	M	27.7	Very low	30.4	Very low	194 Å²	194	132.8 Å²	132.8	96%	0.956	80%	0.799	S	S	*	*			trans	59.7	175.6	151.2	-65.2	-62.6	173.2	0	0	119.6
55	A	29.1	Very low	30.7	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	80%	0.8	S	S	*	*			trans	-149.9	-179.5	-158.8	0	0	0	0	0	113.4
56	V	29.6	Very low	31.5	Very low	141 Å²	141	134 Å²	134	86%	0.855	79%	0.791	S	S	*	*			trans	77.2	149.3	172.2	-174.8	0	0	0	0	114
57	P	33.9	Very low	32.3	Very low	92 Å²	92	134.3 Å²	134.3	60%	0.597	79%	0.79	S	S	*	*			cis	-122.5	177.1	-11.6	33.8	-16.3	0	0	0	115
58	P	38.2	Very low	32.6	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	80%	0.802	S	S	*	*			trans	-85	153	153.3	35.5	-32.4	0	0	0	112.5
59	F	30.3	Very low	32.7	Very low	204 Å²	204	128.8 Å²	128.8	90%	0.895	79%	0.793	S	S	*	*			trans	-94.5	158.2	179.7	-97.7	-99.2	0	0	0	114.1
60	A	33.5	Very low	32.8	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	80%	0.803	S	S	*	*			trans	-123.9	171	172.5	0	0	0	0	0	111.1
61	P	41.3	Very low	32.9	Very low	128 Å²	128	125.4 Å²	125.4	83%	0.831	79%	0.793	S	S	*	*			trans	-106.9	138.4	161.4	35.2	-26.9	0	0	0	112.9
62	S	27.2	Very low	33	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	80%	0.797	S	S	*	*			trans	-93	164.6	170.2	-58.1	0	0	0	0	111
63	L	30.5	Very low	32.2	Very low	162 Å²	162	130 Å²	130	85%	0.848	80%	0.799	S	S	*	*				167.5	162.1	90.9	-80.8	176.8	0	0	0	107.5
64	V	27.7	Very low	32.3	Very low	125 Å²	125	129.6 Å²	129.6	76%	0.758	79%	0.79	S	S	*	*			cis	-168.5	171.2	-20.6	66.3	0	0	0	0	108.2
65	F	33.1	Very low	32.4	Very low	193 Å²	193	128 Å²	128	85%	0.846	78%	0.78	S	S	*	*			trans	-111.7	159.9	173.6	-81.1	-85.9	0	0	0	112.4
66	P	44	Very low	32.4	Very low	114 Å²	114	129.6 Å²	129.6	74%	0.74	78%	0.781	S	S	*	*				-147.7	-168.8	108.4	40.7	-24.4	0	0	0	113
67	P	44.5	Very low	32.2	Very low	129 Å²	129	129 Å²	129	84%	0.838	78%	0.777	S	S	*	*				-121.8	-170.1	-67.8	39.3	-24.4	0	0	0	111.7
68	A	34.5	Very low	31.8	Very low	103 Å²	103	130.1 Å²	130.1	85%	0.851	78%	0.782	S	S	*	*			trans	-134.7	147.1	-178.2	0	0	0	0	0	114.1
69	A	30.3	Very low	31.3	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	78%	0.784	S	S	*	*			trans	-166.8	150.6	161.5	0	0	0	0	0	114.8
70	T	27.7	Very low	31.2	Very low	148 Å²	148	129.6 Å²	129.6	91%	0.908	78%	0.778	S	S	*	*			trans	59.7	135.8	154.7	52.1	0	0	0	0	122.6
71	G	27.6	Very low	31	Very low	64 Å²	64	129.3 Å²	129.3	66%	0.66	78%	0.776	S	S	*	*				149.5	25.8	124.5	0	0	0	0	0	125.7
72	S	29.4	Very low	30.3	Very low	123 Å²	123	130.3 Å²	130.3	86%	0.86	77%	0.774	S	S	*	*			trans	66.6	173.2	168.4	82.6	0	0	0	0	116.4
73	R	29.9	Very low	30.4	Very low	222 Å²	222	129.3 Å²	129.3	84%	0.838	77%	0.767	S	S	*	*			cis	-157.9	149.8	1.9	-153.2	-177.8	-178.5	-179.8	0.6	110.2
74	S	27.9	Very low	30.4	Very low	86 Å²	86	128.6 Å²	128.6	60%	0.601	77%	0.77	S	S	*	*			trans	65.6	149.6	155.2	-74.4	0	0	0	0	119.5
75	Q	30.9	Very low	30.4	Very low	160 Å²	160	126 Å²	126	75%	0.748	77%	0.769	S	S	*	*			cis	-167.5	148.5	-10.8	-118	176.7	-64.3	0	0	112.2
76	V	28.8	Very low	30.2	Very low	121 Å²	121	123.1 Å²	123.1	73%	0.733	77%	0.772	S	S	*	*			trans	65.5	136.6	133.3	161.7	0	0	0	0	120.1
77	V	25.2	Very low	29.4	Very low	127 Å²	127	125.5 Å²	125.5	77%	0.77	78%	0.778	S	S	*	*			cis	-160.1	170.7	-8.9	109.4	0	0	0	0	112.9
78	V	26.4	Very low	29.5	Very low	116 Å²	116	124.7 Å²	124.7	70%	0.703	77%	0.773	S	S	*	*			trans	-93.8	143.6	-179.3	-175.7	0	0	0	0	113.3
79	R	26.9	Very low	29.2	Very low	226 Å²	226	131.4 Å²	131.4	85%	0.853	78%	0.776	S	S	*	*			trans	159.4	144.3	137.5	-86.5	175.4	179.6	98.2	-1.4	109.8
80	A	28.6	Very low	29	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	78%	0.778	S	S	*	*			cis	75.6	139.3	39.1	0	0	0	0	0	112.6
81	A	28.4	Very low	29.1	Very low	78 Å²	78	130 Å²	130	65%	0.645	78%	0.778	S	S	*	*			cis	-156	-176.4	1	0	0	0	0	0	110.4
82	D	26.7	Very low	29.2	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	78%	0.784	S	S	*	*			trans	66.4	158.4	152	-69.2	-51.8	0	0	0	119.9
83	S	30.1	Very low	29.1	Very low	88 Å²	88	135.7 Å²	135.7	62%	0.615	78%	0.779	S	S	*	*			cis	-165.8	161.7	-30.9	-108.1	0	0	0	0	110.4
84	T	29.4	Very low	28.9	Very low	148 Å²	148	134.3 Å²	134.3	91%	0.908	77%	0.773	S	S	*	*			trans	58.5	136.5	162.8	54.2	0	0	0	0	121.3
85	G	27.1	Very low	29.2	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	78%	0.781	S	S	*	*			trans	154	93.2	154.9	0	0	0	0	0	119.8
86	S	29	Very low	29.4	Very low	132 Å²	132	133.7 Å²	133.7	92%	0.923	78%	0.778	S	S	*	*			trans	69.5	152.7	146.1	-57.3	0	0	0	0	123
87	L	27.6	Very low	29.2	Very low	164 Å²	164	135.3 Å²	135.3	86%	0.859	78%	0.778	S	S	*	*			trans	-111.5	175.3	177.1	-78	169.2	0	0	0	110
88	P	46.8	Very low	29.3	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	78%	0.776	S	S	*	*			cis	-134.9	-161.2	-27.9	34.1	-13.5	0	0	0	112.8
89	R	28.1	Very low	29.4	Very low	243 Å²	243	135.4 Å²	135.4	92%	0.917	78%	0.778	S	S	*	*			trans	88.5	124.5	151.4	-157.1	-173.7	-162.8	-172	5.9	118.1
90	G	27.5	Very low	29.4	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	77%	0.769	S	S	*	*			trans	171.2	138.6	169.2	0	0	0	0	0	114.3
91	S	28.7	Very low	29.4	Very low	132 Å²	132	130.8 Å²	130.8	92%	0.923	77%	0.77	S	S	*	*			trans	-85.5	157.2	-166.8	-73.1	0	0	0	0	117.2
92	S	28.9	Very low	29.3	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	77%	0.773	S	S	*	*			trans	-64.4	168.4	174.8	-170.9	0	0	0	0	116.5
93	R	28.6	Very low	29.3	Very low	196 Å²	196	129.2 Å²	129.2	74%	0.74	77%	0.766	S	S	*	*			trans	85.2	141.4	167.1	-58.1	-168.8	170.7	-169.5	0.9	116.6
94	R	26.4	Very low	29.1	Very low	193 Å²	193	134.4 Å²	134.4	73%	0.728	77%	0.774	S	S	*	*			cis	-159.4	165.4	-5.7	-118.6	178.7	-177.5	-173.1	-2.4	112
95	V	32.7	Very low	29	Very low	124 Å²	124	133.8 Å²	133.8	75%	0.752	77%	0.765	S	S	*	*			trans	-25.5	155.4	159.7	-94.2	0	0	0	0	117
96	P	35.6	Very low	28.9	Very low	108 Å²	108	137.5 Å²	137.5	70%	0.701	76%	0.763	S	S	*	*			cis	-130.8	-162.7	41.4	38.3	-16.4	0	0	0	113.7
97	E	25.5	Very low	28.7	Very low	156 Å²	156	135.9 Å²	135.9	73%	0.729	74%	0.741	S	S	*	*			cis	-155.5	173.2	19.6	-158.3	147.3	-149.2	0	0	116.9
98	Q	25.7	Very low	28.6	Very low	153 Å²	153	130.6 Å²	130.6	72%	0.715	72%	0.715	S	S	*	*			trans	-40.6	144	-173.3	-57.3	158.8	44.7	0	0	120.5
99	A	28.9	Very low	27.7	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	69%	0.69	S	S	*	*			trans	-158.7	89.7	132.3	0	0	0	0	0	109
100	T	27.1	Very low	27.9	Very low	108 Å²	108	119 Å²	119	66%	0.663	67%	0.674	S	S	*	*				61.5	120.5	99.6	59.1	0	0	0	0	117.1
101	S	28.8	Very low	28.2	Very low	115 Å²	115	117.7 Å²	117.7	80%	0.804	65%	0.648	S	S	*	*			trans	63.5	144.4	159.3	54.4	0	0	0	0	119.7
102	S	26.7	Very low	28.4	Very low	101 Å²	101	112.5 Å²	112.5	71%	0.706	61%	0.613	S	S	*	*			cis	-167.6	154.9	-14.1	46.3	0	0	0	0	112.9
103	S	25.8	Very low	28.8	Very low	91 Å²	91	108.7 Å²	108.7	64%	0.636	58%	0.582	S	S	*	*			trans	74.1	154.2	152.7	65.6	0	0	0	0	121.8
104	Y	27.5	Very low	29.1	Very low	198 Å²	198	100.6 Å²	100.6	78%	0.776	56%	0.555	S	S	*	*			trans	83	100	167.2	-57.4	-69.7	0	0	0	121.4
105	N	25.2	Very low	29.7	Very low	134 Å²	134	94.6 Å²	94.6	72%	0.717	54%	0.535	S	S	*	.				56.8	137.5	123	-63.6	-4.1	0	0	0	123.8
106	H	25.6	Very low	29.9	Very low	149 Å²	149	96.9 Å²	96.9	69%	0.69	53%	0.53	S	S	*	.			trans	63.1	111	151	-84.8	-105.5	0	0	0	117.8
107	E	25.3	Very low	29.9	Very low	99 Å²	99	99.7 Å²	99.7	46%	0.463	53%	0.534	S	S	.	.				88.9	140.3	83.6	-85.2	-167	162.4	0	0	115.4	K514	E107-K514 HydrophobicContact CG-CD 4.31Å; E107-K514 VanDerWaalsContact OE1-CD 3.3Å; E107-K514 WeakPolarHBondContact OE1-CD 3.26Å; E107-K514 IonicContact OE1-NZ 3.29Å; E107-K514 WeakPolarHBondContact OE2-CE 3.4Å; E107-K514 IonicContact OE2-NZ 3.61Å; E107-K514 PolarHBondContact OE2-NZ 2.63Å
108	T	25.7	Very low	30.2	Very low	52 Å²	52	96 Å²	96	32%	0.319	54%	0.537	S	S	.	.			trans	73.1	95.1	152	42	0	0	0	0	122	A421 Y423 K514	T108-A421 HydrophobicContact CG2-CB 3.66Å; T108-Y423 VanDerWaalsContact C-CE1 3.44Å; T108-Y423 HydrophobicContact CG2-CD1 4.35Å; T108-Y423 HydrophobicContact CG2-CE1 3.78Å; T108-K514 VanDerWaalsContact CB-CE 3.48Å; T108-K514 PolarHBondContact OG1-NZ 2.9Å
109	S	28.1	Very low	30.4	Very low	30 Å²	30	96.3 Å²	96.3	21%	0.21	54%	0.539	C	S	.	.				34.4	110.8	112.7	40.3	0	0	0	0	103.2	Y423 L424	S109-Y423 VanDerWaalsContact C-CB 3.45Å; S109-Y423 WeakPolarHBondContact CA-OH 3.43Å; S109-Y423 WeakPolarHBondContact CB-OH 3.49Å; S109-Y423 PolarHBondContact N-OH 2.81Å; S109-Y423 VanDerWaalsContact N-OH 3.07Å; S109-Y423 WeakPolarHBondContact O-CD1 3.4Å; S109-Y423 WeakPolarHBondContact O-CE1 3.26Å; S109-Y423 VanDerWaalsContact O-CG 3.31Å; S109-Y423 WeakPolarHBondContact OG-CD1 3.32Å; S109-Y423 WeakPolarHBondContact OG-CE1 3.45Å; S109-Y423 WeakPolarHBondContact OG-CE2 3.39Å; S109-Y423 PolarHBondContact OG-OH 3.27Å; S109-L424 WeakPolarHBondContact OG-CD2 3.27Å
110	S	32.3	Very low	30.4	Very low	82 Å²	82	99.3 Å²	99.3	57%	0.573	53%	0.534	S	S	*	.			trans	-153.1	-174.8	159	-73.1	0	0	0	0	112.2	Y423	S110-Y423 VanDerWaalsContact N-CB 3.34Å; S110-Y423 WeakPolarHBondContact O-CB 3.43Å
111	E	33.1	Very low	30.7	Very low	47 Å²	47	104.5 Å²	104.5	22%	0.22	54%	0.542	C	S	.	.				-165	-165	-121.9	-138.4	-156.6	170.9	0	0	113	E422 S426 L445 W446	E111-E422 HydrophobicContact CB-CB 3.7Å; E111-E422 HydrophobicContact CG-CB 4.32Å; E111-E422 VanDerWaalsContact OE1-O 3.11Å; E111-E422 VanDerWaalsContact OE2-CA 3.25Å; E111-E422 WeakPolarHBondContact OE2-CA 3.41Å; E111-E422 WeakPolarHBondContact OE2-CB 3.49Å; E111-E422 WeakPolarHBondContact OE2-CG 3.21Å; E111-S426 VanDerWaalsContact OE1-CA 3.23Å; E111-S426 WeakPolarHBondContact OE1-CA 3.31Å; E111-S426 WeakPolarHBondContact OE1-CB 3.21Å; E111-S426 PolarHBondContact OE1-N 3.1Å; E111-S426 PolarHBondContact OE1-OG 3.26Å; E111-L445 WeakPolarHBondContact O-CD1 3.43Å; E111-W446 VanDerWaalsContact OE1-CD1 3.3Å; E111-W446 PolarHBondContact OE1-NE1 3.09Å; E111-W446 PolarHBondContact OE2-NE1 3.42Å
112	A	32.1	Very low	30.7	Very low	24 Å²	24	107.2 Å²	107.2	20%	0.198	54%	0.539	C	S	.	.			cis	-169.1	-166.4	-10.6	0	0	0	0	0	112.3	L445	A112-L445 HydrophobicContact CB-CB 3.37Å; A112-L445 HydrophobicContact CB-CD1 4.44Å; A112-L445 HydrophobicContact CB-CG 4.44Å; A112-L445 VanDerWaalsContact N-CD1 3.3Å
113	R	37.9	Very low	30.7	Very low	32 Å²	32	109.5 Å²	109.5	12%	0.121	54%	0.542	C	S	.	.			trans	75.1	138.8	159.4	-129.3	-177.6	-133.8	-160	-15.1	113.8	N436 R437 G438 P444 L445 R447	R113-N436 PolarHBondContact NH2-O 3.46Å; R113-R437 VanDerWaalsContact CA-CZ 3.42Å; R113-R437 HydrophobicContact CB-CG 4.27Å; R113-R437 HydrophobicContact CG-CB 4.41Å; R113-R437 HydrophobicContact CG-CG 3.63Å; R113-R437 VanDerWaalsContact N-NH2 3.12Å; R113-G438 VanDerWaalsContact CG-N 3.28Å; R113-G438 VanDerWaalsContact CZ-CA 3.5Å; R113-G438 VanDerWaalsContact CZ-N 3.3Å; R113-P444 PolarHBondContact NE-O 3.37Å; R113-P444 PolarHBondContact NH1-O 2.98Å; R113-L445 HydrophobicContact CB-CB 4Å; R113-L445 HydrophobicContact CB-CD2 3.75Å; R113-L445 HydrophobicContact CB-CG 4.48Å; R113-L445 WeakPolarHBondContact CB-O 3.36Å; R113-L445 WeakPolarHBondContact CD-O 3.48Å; R113-L445 WeakPolarHBondContact CG-O 3.34Å; R113-L445 PolarHBondContact NE-O 3.26Å; R113-R447 VanDerWaalsContact NH2-N 3.13Å
114	S	34.6	Very low	30.6	Very low	26 Å²	26	113.4 Å²	113.4	18%	0.182	55%	0.55	C	S	.	*				-179.7	-171.2	55.7	-81.7	0	0	0	0	118.1	G438 P439 D440	S114-G438 VanDerWaalsContact CA-O 3.29Å; S114-G438 WeakPolarHBondContact CA-O 3.13Å; S114-G438 WeakPolarHBondContact CB-O 3.27Å; S114-G438 PolarHBondContact OG-O 3.33Å; S114-P439 PolarHBondContact OG-O 3.08Å; S114-D440 WeakPolarHBondContact CB-OD1 3.5Å; S114-D440 VanDerWaalsContact OG-CA 3.27Å; S114-D440 WeakPolarHBondContact OG-CA 3.19Å; S114-D440 PolarHBondContact OG-N 3.23Å; S114-D440 VanDerWaalsContact OG-N 3.15Å
115	Q	38.6	Very low	30.4	Very low	67 Å²	67	112.3 Å²	112.3	31%	0.313	55%	0.552	S	S	.	*			trans	-16.5	-175.1	159.6	-96.9	176.3	18.9	0	0	122.4	G438 P439 D440	Q115-G438 VanDerWaalsContact CB-O 3.25Å; Q115-G438 WeakPolarHBondContact CB-O 3.36Å; Q115-G438 WeakPolarHBondContact CG-O 3.33Å; Q115-G438 PolarHBondContact N-O 3.44Å; Q115-P439 VanDerWaalsContact CD-CA 3.45Å; Q115-D440 WeakPolarHBondContact CB-OD2 3.44Å
116	R	38	Very low	30.5	Very low	172 Å²	172	112 Å²	112	65%	0.649	56%	0.555	S	S	*	*			cis	-150.9	130.7	12.6	-150	172.6	-80.7	177.1	2.7	116.3
117	H	35	Very low	30.5	Very low	167 Å²	167	109.6 Å²	109.6	77%	0.773	56%	0.555	S	S	*	*			trans	20.4	152.5	146	-51.9	5.6	0	0	0	125.3
118	G	31.5	Very low	30.5	Very low	77 Å²	77	114.2 Å²	114.2	79%	0.794	58%	0.576	S	S	*	*			trans	-173.8	15.3	168.5	0	0	0	0	0	130.7
119	Q	31.7	Very low	30.4	Very low	161 Å²	161	115.3 Å²	115.3	75%	0.752	60%	0.598	S	S	*	*			trans	61	139	154.2	-66.2	-169	8	0	0	128.1
120	K	28.4	Very low	30.4	Very low	153 Å²	153	120 Å²	120	67%	0.665	63%	0.631	S	S	*	*			trans	76.9	152.5	141.8	-73.4	163.7	178.7	158.2	0	122.2
121	R	33.4	Very low	30.1	Very low	218 Å²	218	120.1 Å²	120.1	82%	0.823	65%	0.645	S	S	*	*			cis	-175.1	155.5	-17.8	-114.2	-178.4	-170.5	169.9	-0.2	114.7
122	K	27.7	Very low	30	Very low	171 Å²	171	124 Å²	124	74%	0.743	68%	0.678	S	S	*	*			trans	69.8	131.3	157	-153.4	-170.7	179.7	-148.3	0	117.7	E124	K122-E124 IonicContact NZ-OE2 3.96Å
123	I	26.8	Very low	29.8	Very low	149 Å²	149	126.7 Å²	126.7	76%	0.764	71%	0.707	S	S	*	*			cis	101.3	116.1	26.9	-68.1	169.6	0	0	0	115.6
124	E	23.3	Very low	29.2	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	75%	0.745	S	S	*	*				-168.5	174.1	126.7	-150.3	110.1	-154.4	0	0	109.8	K122	K122-E124 IonicContact NZ-OE2 3.96Å
125	E	24	Very low	28.7	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	77%	0.772	S	S	*	*			trans	-117.9	163.6	-161.2	-59.8	-176.4	130.5	0	0	117.3
126	V	28.2	Very low	28	Very low	128 Å²	128	136.3 Å²	136.3	78%	0.776	80%	0.797	S	S	*	*				167.9	140.5	110.1	158.3	0	0	0	0	114.4
127	S	24.7	Very low	27.3	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	80%	0.802	S	S	*	*			trans	78.8	122.4	160.6	-81.9	0	0	0	0	124.4
128	E	25	Very low	27.1	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	81%	0.805	S	S	*	*			trans	65.4	111.7	143	-64	-177.6	-166	0	0	121.6
129	G	25	Very low	26.8	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	81%	0.808	S	S	*	*			trans	153.1	86.7	163.1	0	0	0	0	0	116.1
130	S	26.3	Very low	26.8	Very low	129 Å²	129	138.8 Å²	138.8	90%	0.902	81%	0.812	S	S	*	*			trans	40.9	107.5	157.7	-62.9	0	0	0	0	121.5
131	G	27.2	Very low	26.7	Very low	84 Å²	84	139.7 Å²	139.7	87%	0.866	82%	0.819	S	S	*	*				78.1	105	122.1	0	0	0	0	0	120.8
132	S	29.8	Very low	26.4	Very low	128 Å²	128	137.8 Å²	137.8	90%	0.895	82%	0.819	S	S	*	*			trans	-162.1	136.7	136.8	-172.8	0	0	0	0	110.2
133	G	27.7	Very low	26.5	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	81%	0.814	S	S	*	*			trans	-99.1	125.7	-177.9	0	0	0	0	0	112.7
134	C	25.7	Very low	26.4	Very low	136 Å²	136	134.8 Å²	134.8	92%	0.919	82%	0.822	S	S	*	*			trans	-119.6	122.3	163.8	-176.3	0	0	0	0	108.5
135	G	24	Very low	26.5	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	82%	0.815	S	S	*	*			trans	-167.7	69.8	-168.9	0	0	0	0	0	112.9	V137	G135-V137 PolarHBondContact O-N 3.03Å
136	S	25.3	Very low	27.1	Very low	119 Å²	119	128.3 Å²	128.3	83%	0.832	82%	0.817	S	S	*	*			trans	-64.8	125.4	178.7	55.9	0	0	0	0	113.1
137	V	22.1	Very low	27.1	Very low	127 Å²	127	127.3 Å²	127.3	77%	0.77	82%	0.822	S	S	*	*			trans	-133.8	146.2	160.7	-177.4	0	0	0	0	109.6	G135	G135-V137 PolarHBondContact O-N 3.03Å
138	Q	30.8	Very low	27.2	Very low	175 Å²	175	127 Å²	127	82%	0.818	83%	0.826	S	S	*	*			trans	-71	147.7	-175.3	-47.9	105.5	4.9	0	0	112.3
139	I	25.4	Very low	27.3	Very low	167 Å²	167	124.9 Å²	124.9	86%	0.856	83%	0.826	S	S	*	*			trans	-122	136.5	151.6	-64.5	-176.7	0	0	0	108.4
140	L	31.1	Very low	27.4	Very low	161 Å²	161	131.7 Å²	131.7	84%	0.843	83%	0.83	S	S	*	*			trans	-89.3	107.7	-179	178.4	71.8	0	0	0	109.2
141	E	27.8	Very low	27.3	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.804	83%	0.829	S	S	*	*			trans	-92.3	112.9	175.1	-165.9	179	-158.6	0	0	110.5	L143	E141-L143 PolarHBondContact O-N 2.88Å; E141-L143 VanDerWaalsContact O-N 3.13Å
142	E	26	Very low	27.3	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	82%	0.819	S	S	*	*			trans	-84.1	89.8	-170.3	-166.3	170.9	-135	0	0	112.3	S144	E142-S144 PolarHBondContact O-N 2.89Å
143	L	29.9	Very low	27.1	Very low	124 Å²	124	138 Å²	138	65%	0.649	82%	0.82	S	S	*	*			trans	-66.2	115.1	172.5	-69.2	167.7	0	0	0	110.8	E141 A145	E141-L143 PolarHBondContact O-N 2.88Å; E141-L143 VanDerWaalsContact O-N 3.13Å; L143-A145 PolarHBondContact O-N 3.09Å
144	S	24.2	Very low	27.1	Very low	133 Å²	133	139.9 Å²	139.9	93%	0.93	82%	0.816	S	S	*	*			trans	-66.9	90.9	175	-74.8	0	0	0	0	112.4	E142	E142-S144 PolarHBondContact O-N 2.89Å
145	A	27	Very low	27.2	Very low	80 Å²	80	137.2 Å²	137.2	66%	0.661	81%	0.811	S	S	*	*			trans	-97.5	159.3	167.2	0	0	0	0	0	110.6	L143	L143-A145 PolarHBondContact O-N 3.09Å
146	P	36.7	Very low	27.5	Very low	134 Å²	134	145.9 Å²	145.9	87%	0.87	82%	0.821	S	S	*	*			trans	-78.7	144.7	-166.1	31.2	-35.8	0	0	0	113.5
147	A	27.1	Very low	27.6	Very low	106 Å²	106	144.1 Å²	144.1	88%	0.876	82%	0.822	S	S	*	*			trans	-132.3	136.9	173	0	0	0	0	0	111.5
148	A	27.2	Very low	27.8	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	83%	0.825	S	S	*	*			trans	-148.9	99.3	170.7	0	0	0	0	0	110.8
149	T	28.1	Very low	27.7	Very low	149 Å²	149	137.7 Å²	137.7	91%	0.914	83%	0.828	S	S	*	*			trans	-173.3	164.7	137.5	17	0	0	0	0	111.2
150	Y	26	Very low	27.7	Very low	219 Å²	219	134 Å²	134	86%	0.859	83%	0.831	S	S	*	*			trans	-84.9	151	-165.4	-66.8	-98.7	0	0	0	115
151	S	25	Very low	27.6	Very low	127 Å²	127	130.2 Å²	130.2	89%	0.888	83%	0.831	S	S	*	*			trans	-151.6	158.6	133	-163.7	0	0	0	0	110.9
152	T	26.1	Very low	27.7	Very low	107 Å²	107	129.2 Å²	129.2	66%	0.656	84%	0.837	S	S	*	*			trans	-147.3	125.1	-161	-49.7	0	0	0	0	114.2
153	R	26.9	Very low	27.8	Very low	239 Å²	239	124.6 Å²	124.6	90%	0.902	84%	0.837	S	S	*	*			trans	-153.5	115.5	152.7	-89.8	-161.5	163	-179.8	-5.1	108.7
154	T	26.6	Very low	27.9	Very low	121 Å²	121	127.9 Å²	127.9	74%	0.742	85%	0.849	S	S	*	*				91.9	106.8	52.3	60.3	0	0	0	0	114.5
155	G	27.5	Very low	28.1	Very low	80 Å²	80	127.1 Å²	127.1	83%	0.825	84%	0.843	S	S	*	*			trans	164.4	143.2	166.3	0	0	0	0	0	113.1
156	R	29.9	Very low	28.6	Very low	254 Å²	254	130.9 Å²	130.9	96%	0.958	85%	0.851	S	S	*	*				-159	133	-68.6	168.5	177.7	-178.5	-101.8	4.4	110.2
157	G	27.8	Very low	28.5	Very low	81 Å²	81	129.5 Å²	129.5	84%	0.835	84%	0.842	S	S	*	*			trans	98.1	156.9	167.5	0	0	0	0	0	115.1
158	G	27.6	Very low	28.8	Very low	81 Å²	81	133.5 Å²	133.5	84%	0.835	84%	0.842	S	S	*	*			cis	167.5	133.5	-9	0	0	0	0	0	113.7
159	G	27.4	Very low	28.9	Very low	86 Å²	86	134.6 Å²	134.6	89%	0.887	84%	0.844	S	S	*	*			trans	76.1	157.9	-179.2	0	0	0	0	0	114.2
160	G	25.9	Very low	28.9	Very low	89 Å²	89	131.5 Å²	131.5	92%	0.918	83%	0.833	S	S	*	*			cis	130.7	85.8	-5.6	0	0	0	0	0	112.7
161	G	28.3	Very low	29.3	Very low	83 Å²	83	127 Å²	127	86%	0.856	83%	0.831	S	S	*	*			trans	-166.9	135.8	-179	0	0	0	0	0	113.5
162	T	29.7	Very low	29.6	Very low	151 Å²	151	127.8 Å²	127.8	93%	0.926	83%	0.831	S	S	*	*			trans	-76.1	149.7	179.8	46.9	0	0	0	0	113.6
163	G	29.3	Very low	30.2	Very low	79 Å²	79	128.5 Å²	128.5	81%	0.814	84%	0.835	S	S	*	*			trans	173.9	131.8	162.6	0	0	0	0	0	114.2
164	Q	32.2	Very low	30.9	Very low	194 Å²	194	126.2 Å²	126.2	91%	0.907	83%	0.832	S	S	*	*			trans	-88.8	141.5	165.6	-70	179.4	-17.7	0	0	110.1
165	S	28.2	Very low	31	Very low	116 Å²	116	126 Å²	126	81%	0.811	84%	0.835	S	S	*	*			trans	-175.8	149.8	143.4	29.4	0	0	0	0	111.1
166	I	37.9	Very low	31.9	Very low	160 Å²	160	127.4 Å²	127.4	82%	0.821	83%	0.832	S	S	*	*			trans	-99.8	133.4	167.2	-64.7	167.6	0	0	0	107.4
167	P	33.2	Very low	32.1	Very low	104 Å²	104	120 Å²	120	68%	0.675	82%	0.819	S	S	*	*			trans	-130	157.2	139.8	35.7	-26.1	0	0	0	112.6
168	H	34	Very low	32.8	Very low	190 Å²	190	121.1 Å²	121.1	88%	0.88	82%	0.815	S	S	*	*			trans	-69.3	137.5	173	-62.8	-94.4	0	0	0	111.1
169	S	29	Very low	33.9	Very low	117 Å²	117	122.7 Å²	122.7	82%	0.818	80%	0.804	S	S	*	*			trans	-110.1	99.8	171.5	-65.5	0	0	0	0	110.4
170	A	29.4	Very low	35.4	Very low	83 Å²	83	119.9 Å²	119.9	69%	0.686	78%	0.775	S	S	*	*			trans	-73.3	142.4	164.2	0	0	0	0	0	109.7	T172	A170-T172 PolarHBondContact O-N 2.88Å
171	P	34.3	Very low	37.4	Very low	126 Å²	126	124.2 Å²	124.2	82%	0.818	77%	0.771	S	S	*	*			trans	-72.5	102.3	178.8	28.8	-33.6	0	0	0	110.7	T173	P171-T173 PolarHBondContact O-N 3.14Å
172	T	29.9	Very low	39.9	Very low	142 Å²	142	121.3 Å²	121.3	87%	0.871	74%	0.742	S	S	*	*			trans	-70.8	114.5	172.3	34.3	0	0	0	0	110.6	A170	A170-T172 PolarHBondContact O-N 2.88Å
173	T	39.8	Very low	42.5	Very low	122 Å²	122	115.3 Å²	115.3	75%	0.748	70%	0.704	S	S	*	*			trans	-73.6	135.1	174.8	53.1	0	0	0	0	111	P171	P171-T173 PolarHBondContact O-N 3.14Å
174	K	40.8	Very low	45.4	Very low	192 Å²	192	112.3 Å²	112.3	84%	0.835	67%	0.668	S	S	*	*				163.4	118.1	129.2	-88.3	157.2	-173.7	178.1	0	113.2
175	S	29.7	Very low	48.2	Very low	115 Å²	115	109.5 Å²	109.5	80%	0.804	66%	0.655	S	S	*	*			trans	-147.6	75.9	142.9	62.4	0	0	0	0	108.1	S177	S175-S177 PolarHBondContact O-N 2.59Å; S175-S177 VanDerWaalsContact O-N 3.15Å
176	S	45.5	Very low	51.2	Low	111 Å²	111	106 Å²	106	78%	0.776	63%	0.626	S	S	*	*			trans	-77.8	94	-179.4	51.6	0	0	0	0	110.5
177	S	34.6	Very low	53.8	Low	98 Å²	98	101.9 Å²	101.9	69%	0.685	61%	0.609	S	S	*	*			trans	-106.7	117.7	169.9	54.9	0	0	0	0	109.7	S175	S175-S177 PolarHBondContact O-N 2.59Å; S175-S177 VanDerWaalsContact O-N 3.15Å
178	S	42	Very low	56.8	Low	105 Å²	105	102.7 Å²	102.7	73%	0.734	60%	0.604	S	S	*	*			trans	41.8	82.8	174.1	48.2	0	0	0	0	116.3	G180	S178-G180 PolarHBondContact O-N 3.44Å
179	N	50.2	Low	59.7	Low	113 Å²	113	99 Å²	99	60%	0.604	59%	0.587	S	S	*	*			trans	-60.7	106.6	149	-81.7	15.1	0	0	0	107
180	G	58.8	Low	62.8	Low	27 Å²	27	95.4 Å²	95.4	28%	0.278	56%	0.557	S	S	.	*			trans	-62.6	145.5	173.3	0	0	0	0	0	110.2	S178 G182 D183	S178-G180 PolarHBondContact O-N 3.44Å; G180-G182 PolarHBondContact O-N 3.33Å; G180-G182 VanDerWaalsContact O-N 3.14Å; G180-D183 WeakPolarHBondContact O-CB 3.45Å; G180-D183 PolarHBondContact O-N 3.17Å
181	E	69.6	Low	66	Low	180 Å²	180	93.7 Å²	93.7	84%	0.841	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	121.9	-177.9	-166.9	173.5	-171.8	0	0	110.5	D183	E181-D183 PolarHBondContact O-N 3Å
182	G	78.9	Confident	69	Low	23 Å²	23	87.7 Å²	87.7	24%	0.237	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	8.8	-176	0	0	0	0	0	116.7	G180 K231 N232 H272	G180-G182 PolarHBondContact O-N 3.33Å; G180-G182 VanDerWaalsContact O-N 3.14Å; G182-K231 CarbonylContact O-C 3.56Å; G182-K231 WeakPolarHBondContact O-CA 3.38Å; G182-K231 WeakPolarHBondContact O-CB 3.41Å; G182-N232 WeakPolarHBondContact CA-O 3.41Å; G182-N232 PolarHBondContact O-N 3.11Å; G182-H272 PolarHBondContact O-CE1 3.44Å
183	D	84.6	Confident	72.1	Confident	24 Å²	24	84 Å²	84	13%	0.128	48%	0.476	C	S	.	.			trans	-73.8	140.3	168.8	-83.9	-58.5	0	0	0	112.2	G180 E181 R207 K231	G180-D183 WeakPolarHBondContact O-CB 3.45Å; G180-D183 PolarHBondContact O-N 3.17Å; E181-D183 PolarHBondContact O-N 3Å; D183-R207 VanDerWaalsContact CG-NH2 3.34Å; D183-R207 IonicContact OD1-NE 2.74Å; D183-R207 IonicContact OD1-NH2 3.14Å; D183-R207 IonicContact OD2-CZ 3.83Å; D183-R207 IonicContact OD2-NE 2.72Å; D183-R207 IonicContact OD2-NH2 2.8Å; D183-R207 PolarHBondContact OD2-NH2 3.03Å; D183-K231 VanDerWaalsContact OD1-CE 3.27Å; D183-K231 WeakPolarHBondContact OD1-CE 3.27Å; D183-K231 WeakPolarHBondContact OD1-CG 3.44Å; D183-K231 IonicContact OD1-NZ 2.68Å; D183-K231 PolarHBondContact OD1-NZ 3.13Å; D183-K231 IonicContact OD2-NZ 2.59Å; D183-K231 PolarHBondContact OD2-NZ 3.47Å
184	Y	90.6	Very high	74.6	Confident	16 Å²	16	79.2 Å²	79.2	6%	0.063	45%	0.448	C	S	.	.			trans	-80.4	124.8	176.4	-173.5	-90.3	0	0	0	110.8	L186 E190 L192 Q212 I229 H269 K270 H272	Y184-L186 HydrophobicContact CD1-CB 4.43Å; Y184-L186 HydrophobicContact CD1-CD1 4.35Å; Y184-L186 HydrophobicContact CE1-CD1 4.31Å; Y184-L186 PolarHBondContact O-N 3.42Å; Y184-E190 WeakPolarHBondContact CE1-OE2 3.22Å; Y184-E190 PolarHBondContact OH-OE1 3.34Å; Y184-E190 PolarHBondContact OH-OE2 3.29Å; Y184-L192 HydrophobicContact CE1-CD2 4.37Å; Y184-Q212 PolarHBondContact O-NE2 3.34Å; Y184-Q212 PolarHBondContact O-OE1 3.36Å; Y184-I229 HydrophobicContact CD1-CD1 3.97Å; Y184-I229 HydrophobicContact CD1-CG2 4.46Å; Y184-I229 HydrophobicContact CD2-CG2 4.23Å; Y184-I229 HydrophobicContact CE1-CD1 4.31Å; Y184-I229 HydrophobicContact CG-CD1 4.44Å; Y184-I229 HydrophobicContact CG-CG2 3.9Å; Y184-H269 AromaticContact CE2-CD2 3.94Å; Y184-H269 PolarHBondContact OH-CD2 3.27Å; Y184-K270 HydrophobicContact CE2-CB 4.44Å; Y184-K270 HydrophobicContact CE2-CD 4.07Å; Y184-K270 PolarHBondContact OH-NZ 2.69Å; Y184-H272 HydrophobicContact CD2-CB 4.43Å; Y184-H272 AromaticContact CD2-CD2 3.57Å; Y184-H272 AromaticContact CD2-CG 3.81Å; Y184-H272 AromaticContact CD2-NE2 3.74Å
185	Q	91.2	Very high	76.9	Confident	135 Å²	135	79.7 Å²	79.7	63%	0.631	46%	0.455	S	S	*	.			trans	-76.6	93.4	174.3	-173	168.9	5	0	0	110.5	V187	Q185-V187 PolarHBondContact O-N 3.45Å
186	L	90.7	Very high	79.8	Confident	42 Å²	42	78.1 Å²	78.1	22%	0.22	44%	0.444	C	S	.	.			trans	-68	128.4	178.8	-165.6	71.1	0	0	0	110.9	Y184 V201 F204 A214 I229	Y184-L186 HydrophobicContact CD1-CB 4.43Å; Y184-L186 HydrophobicContact CD1-CD1 4.35Å; Y184-L186 HydrophobicContact CE1-CD1 4.31Å; Y184-L186 PolarHBondContact O-N 3.42Å; L186-V201 HydrophobicContact CD1-CG1 3.78Å; L186-V201 HydrophobicContact CD1-CG2 3.91Å; L186-V201 HydrophobicContact CD2-CG1 4.05Å; L186-V201 HydrophobicContact CG-CG1 3.87Å; L186-F204 HydrophobicContact CD2-CB 4.03Å; L186-F204 HydrophobicContact CD2-CD2 4.12Å; L186-A214 HydrophobicContact CD1-CB 3.92Å; L186-A214 HydrophobicContact CD2-CB 3.83Å; L186-I229 HydrophobicContact CD1-CD1 3.89Å
187	V	93.7	Very high	82.2	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.448	41%	0.414	S	S	.	.			trans	-118.3	132.1	174.4	177.8	0	0	0	0	109.1	Q185 E190 V201	Q185-V187 PolarHBondContact O-N 3.45Å; V187-E190 HydrophobicContact CB-CB 4.12Å; V187-E190 WeakPolarHBondContact O-CB 3.34Å; V187-E190 PolarHBondContact O-N 3.05Å; V187-V201 WeakPolarHBondContact O-CB 3.18Å
188	Q	94.5	Very high	85.1	Confident	122 Å²	122	71.4 Å²	71.4	57%	0.57	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	139.1	177.3	-157.6	-173.3	16.9	0	0	110.3	E190 L202	Q188-E190 PolarHBondContact O-N 3.06Å; Q188-L202 WeakPolarHBondContact CG-O 3.41Å; Q188-L202 PolarHBondContact NE2-O 2.88Å
189	H	95.3	Very high	87.8	Confident	113 Å²	113	66.6 Å²	66.6	52%	0.523	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	14.5	-170.5	-41.5	90.7	0	0	0	114.6	E200 V201	H189-E200 IonicContact CD2-OE1 3.89Å; H189-V201 WeakPolarHBondContact CA-O 3.5Å; H189-V201 PolarHBondContact N-O 2.94Å
190	E	95.4	Very high	90.1	Very high	40 Å²	40	63 Å²	63	19%	0.187	34%	0.342	C	S	.	.			trans	-69.3	145.2	166.8	179.3	165.5	-122.4	0	0	111.3	Y184 V187 Q188 E200 V201 K270	Y184-E190 WeakPolarHBondContact CE1-OE2 3.22Å; Y184-E190 PolarHBondContact OH-OE1 3.34Å; Y184-E190 PolarHBondContact OH-OE2 3.29Å; V187-E190 HydrophobicContact CB-CB 4.12Å; V187-E190 WeakPolarHBondContact O-CB 3.34Å; V187-E190 PolarHBondContact O-N 3.05Å; Q188-E190 PolarHBondContact O-N 3.06Å; E190-E200 WeakPolarHBondContact O-CA 2.99Å; E190-V201 HydrophobicContact CB-CG2 4.37Å; E190-V201 PolarHBondContact O-N 2.98Å; E190-K270 IonicContact OE1-NZ 2.9Å; E190-K270 PolarHBondContact OE1-NZ 2.8Å; E190-K270 IonicContact OE2-NZ 2.78Å
191	I	96.4	Very high	91.9	Very high	47 Å²	47	61.7 Å²	61.7	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.1	174.1	-49.5	-53	0	0	0	110.5	C193 Y199 E200	I191-C193 PolarHBondContact O-N 3.37Å; I191-Y199 CarbonylContact C-O 3.58Å; I191-Y199 WeakPolarHBondContact CA-O 3.44Å; I191-E200 HydrophobicContact CD1-CB 3.7Å; I191-E200 HydrophobicContact CD1-CG 3.75Å
192	L	96.4	Very high	93.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	102.6	166.9	-52.3	176.7	0	0	0	108.5	Y184 Y199 V201 I227 I229 F267	Y184-L192 HydrophobicContact CE1-CD2 4.37Å; L192-Y199 PolarHBondContact N-O 3.32Å; L192-Y199 PolarHBondContact O-N 3.41Å; L192-V201 HydrophobicContact CD1-CG2 3.9Å; L192-V201 HydrophobicContact CG-CG2 3.93Å; L192-I227 HydrophobicContact CD1-CD1 4.36Å; L192-I227 HydrophobicContact CD1-CG2 4.35Å; L192-I229 HydrophobicContact CD1-CD1 3.89Å; L192-F267 HydrophobicContact CB-CE2 4.35Å; L192-F267 HydrophobicContact CB-CZ 4.11Å
193	C	94.4	Very high	94.1	Very high	64 Å²	64	58.8 Å²	58.8	43%	0.432	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.3	176.2	-54.8	0	0	0	0	111.3	I191 F267	I191-C193 PolarHBondContact O-N 3.37Å; C193-F267 WeakPolarHBondContact O-CD2 3.49Å; C193-F267 WeakPolarHBondContact O-CE2 3.35Å
194	S	93.7	Very high	94.6	Very high	23 Å²	23	62.9 Å²	62.9	16%	0.161	33%	0.328	C	S	.	.			trans	-102.6	-171.3	161.1	83.1	0	0	0	0	110.4	S196 S197 E265 F267	S194-S196 VanDerWaalsContact C-N 3.32Å; S194-S196 PolarHBondContact OG-N 2.61Å; S194-S196 VanDerWaalsContact OG-N 3.12Å; S194-S196 PolarHBondContact OG-OG 3.42Å; S194-S197 PolarHBondContact N-O 2.84Å; S194-S197 PolarHBondContact OG-N 3.34Å; S194-S197 PolarHBondContact OG-O 2.79Å; S194-E265 WeakPolarHBondContact CB-OE1 3.43Å; S194-E265 PolarHBondContact OG-OE1 3.01Å; S194-F267 VanDerWaalsContact CB-CG 3.46Å
195	M	89.6	Confident	94.7	Very high	202 Å²	202	65.6 Å²	65.6	100%	0.995	34%	0.343	S	S	*	.	S	Bend	trans	-76.4	-19.4	172.2	-65.3	-177.1	69.5	0	0	113.3
196	S	90.5	Very high	94.7	Very high	81 Å²	81	60.3 Å²	60.3	57%	0.566	32%	0.324	S	S	*	.	S	Bend	trans	-108.9	-31.5	-174.6	80.2	0	0	0	0	113.1	S194 E265	S194-S196 VanDerWaalsContact C-N 3.32Å; S194-S196 PolarHBondContact OG-N 2.61Å; S194-S196 VanDerWaalsContact OG-N 3.12Å; S194-S196 PolarHBondContact OG-OG 3.42Å; S196-E265 PolarHBondContact OG-OE1 3.35Å; S196-E265 PolarHBondContact OG-OE2 3.06Å
197	S	95	Very high	94.6	Very high	22 Å²	22	65.2 Å²	65.2	15%	0.154	34%	0.34	C	S	.	.			trans	-145.5	160.8	-158.6	-63.6	0	0	0	0	111.6	S194 Y199	S194-S197 PolarHBondContact N-O 2.84Å; S194-S197 PolarHBondContact OG-N 3.34Å; S194-S197 PolarHBondContact OG-O 2.79Å; S197-Y199 VanDerWaalsContact CB-CE2 3.49Å
198	S	96.6	Very high	94.1	Very high	46 Å²	46	63.8 Å²	63.8	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.5	172.1	-70.9	0	0	0	0	109.5	R219	S198-R219 WeakPolarHBondContact O-CB 3.46Å; S198-R219 PolarHBondContact O-N 3.12Å
199	Y	98	Very high	93.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.7	-174.2	-61.2	-83	0	0	0	110.7	I191 L192 S197 W217 K218 V225 I227 E265 F267 V276	I191-Y199 CarbonylContact C-O 3.58Å; I191-Y199 WeakPolarHBondContact CA-O 3.44Å; L192-Y199 PolarHBondContact N-O 3.32Å; L192-Y199 PolarHBondContact O-N 3.41Å; S197-Y199 VanDerWaalsContact CB-CE2 3.49Å; Y199-W217 CarbonylContact C-O 3.43Å; Y199-W217 WeakPolarHBondContact CA-O 3.46Å; Y199-K218 HydrophobicContact CD1-CB 3.8Å; Y199-K218 HydrophobicContact CD1-CG 4.1Å; Y199-K218 HydrophobicContact CE1-CB 3.69Å; Y199-K218 HydrophobicContact CE1-CD 3.96Å; Y199-K218 HydrophobicContact CE1-CG 3.64Å; Y199-V225 HydrophobicContact CD1-CG2 3.63Å; Y199-V225 HydrophobicContact CE1-CG2 3.79Å; Y199-I227 HydrophobicContact CD1-CD1 3.85Å; Y199-I227 HydrophobicContact CD2-CD1 3.96Å; Y199-I227 HydrophobicContact CE1-CD1 4.5Å; Y199-I227 HydrophobicContact CG-CD1 3.53Å; Y199-E265 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E265 PolarHBondContact OH-OE1 3.22Å; Y199-F267 HydrophobicContact CD2-CE1 4.16Å; Y199-F267 HydrophobicContact CD2-CZ 4.14Å; Y199-F267 HydrophobicContact CE2-CE1 4.08Å; Y199-F267 HydrophobicContact CE2-CZ 4.48Å; Y199-V276 HydrophobicContact CE1-CG1 3.96Å; Y199-V276 HydrophobicContact CE2-CG2 4.15Å
200	E	97.8	Very high	92.8	Very high	37 Å²	37	59.2 Å²	59.2	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121	178.1	-172.8	170.5	150.7	0	0	110.5	H189 E190 I191 L202 C216 W217 R219	H189-E200 IonicContact CD2-OE1 3.89Å; E190-E200 WeakPolarHBondContact O-CA 2.99Å; I191-E200 HydrophobicContact CD1-CB 3.7Å; I191-E200 HydrophobicContact CD1-CG 3.75Å; E200-L202 PolarHBondContact O-N 3.5Å; E200-C216 CarbonylContact O-C 3.56Å; E200-C216 WeakPolarHBondContact O-CA 3.26Å; E200-C216 WeakPolarHBondContact O-CB 3.48Å; E200-W217 HydrophobicContact CB-CE3 4.33Å; E200-W217 PolarHBondContact N-O 3.49Å; E200-W217 PolarHBondContact O-N 2.95Å; E200-R219 HydrophobicContact CB-CG 4.1Å; E200-R219 IonicContact OE2-NE 2.79Å
201	V	97.9	Very high	92.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	112.3	-179.7	175.9	0	0	0	0	110.1	L186 V187 H189 E190 L192 A214	L186-V201 HydrophobicContact CD1-CG1 3.78Å; L186-V201 HydrophobicContact CD1-CG2 3.91Å; L186-V201 HydrophobicContact CD2-CG1 4.05Å; L186-V201 HydrophobicContact CG-CG1 3.87Å; V187-V201 WeakPolarHBondContact O-CB 3.18Å; H189-V201 WeakPolarHBondContact CA-O 3.5Å; H189-V201 PolarHBondContact N-O 2.94Å; E190-V201 HydrophobicContact CB-CG2 4.37Å; E190-V201 PolarHBondContact O-N 2.98Å; L192-V201 HydrophobicContact CD1-CG2 3.9Å; L192-V201 HydrophobicContact CG-CG2 3.93Å; V201-A214 HydrophobicContact CG1-CB 4.36Å
202	L	97.3	Very high	92.4	Very high	50 Å²	50	56 Å²	56	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-40.9	177.7	-59.8	-172.8	0	0	0	112.8	Q188 E200 K215 W217 I224	Q188-L202 WeakPolarHBondContact CG-O 3.41Å; Q188-L202 PolarHBondContact NE2-O 2.88Å; E200-L202 PolarHBondContact O-N 3.5Å; L202-K215 PolarHBondContact N-O 2.95Å; L202-W217 HydrophobicContact CD1-CB 4.05Å; L202-W217 HydrophobicContact CD2-CB 4.11Å; L202-W217 HydrophobicContact CG-CB 4.11Å; L202-I224 HydrophobicContact CD1-CD1 3.84Å
203	E	96.2	Very high	92.3	Very high	92 Å²	92	58.1 Å²	58.1	43%	0.43	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.8	-165.9	-157.2	175.2	-178.9	0	0	111	A214 K215	E203-A214 CarbonylContact O-C 3.46Å; E203-A214 WeakPolarHBondContact O-CA 3.45Å; E203-K215 HydrophobicContact CB-CB 3.77Å; E203-K215 HydrophobicContact CB-CD 3.77Å; E203-K215 HydrophobicContact CB-CG 4.45Å; E203-K215 PolarHBondContact N-O 2.86Å; E203-K215 PolarHBondContact O-N 3.43Å; E203-K215 WeakPolarHBondContact OE2-CD 3.18Å; E203-K215 WeakPolarHBondContact OE2-CE 3.42Å; E203-K215 IonicContact OE2-NZ 3.77Å; E203-K215 PolarHBondContact OE2-NZ 3.43Å
204	F	95.8	Very high	92.5	Very high	109 Å²	109	55 Å²	55	48%	0.478	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.6	167.8	168.3	-94.2	0	0	0	109.2	L186 G206 R207 Q212	L186-F204 HydrophobicContact CD2-CB 4.03Å; L186-F204 HydrophobicContact CD2-CD2 4.12Å; F204-G206 WeakPolarHBondContact CE2-O 3.47Å; F204-R207 HydrophobicContact CE2-CB 3.99Å; F204-R207 HydrophobicContact CZ-CB 3.74Å; F204-Q212 HydrophobicContact CE2-CB 4.21Å
205	L	93.4	Very high	92.7	Very high	73 Å²	73	56.8 Å²	56.8	38%	0.382	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-32.2	-178.6	-64.6	175.9	0	0	0	113.2	V213 K215 A226 M279	L205-V213 HydrophobicContact CB-CB 4.38Å; L205-V213 HydrophobicContact CB-CG1 4.41Å; L205-V213 HydrophobicContact CD1-CG1 4.21Å; L205-V213 PolarHBondContact N-O 2.94Å; L205-K215 HydrophobicContact CD1-CB 3.86Å; L205-K215 HydrophobicContact CD2-CB 4.04Å; L205-K215 HydrophobicContact CD2-CD 4.45Å; L205-K215 HydrophobicContact CG-CB 3.88Å; L205-A226 HydrophobicContact CD1-CB 4.42Å; L205-M279 HydrophobicContact CD1-CE 3.76Å; L205-M279 HydrophobicContact CD1-SD 3.9Å; L205-M279 HydrophobicContact CD2-CE 4.02Å
206	G	89.6	Confident	93.1	Very high	24 Å²	24	47.2 Å²	47.2	25%	0.247	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	166.1	179.5	0	0	0	0	0	114.3	F204 Q212 V213	F204-G206 WeakPolarHBondContact CE2-O 3.47Å; G206-Q212 CarbonylContact O-C 3.46Å; G206-Q212 VanDerWaalsContact O-CA 3.29Å; G206-Q212 WeakPolarHBondContact O-CA 3.42Å; G206-Q212 WeakPolarHBondContact O-CB 3.42Å; G206-V213 PolarHBondContact N-O 2.8Å; G206-V213 PolarHBondContact O-N 3.04Å
207	R	88.3	Confident	93.4	Very high	145 Å²	145	47.4 Å²	47.4	55%	0.547	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	176.7	-177.2	175.2	177.1	-147.2	4.7	109.2	D183 F204 G211 Q212	D183-R207 VanDerWaalsContact CG-NH2 3.34Å; D183-R207 IonicContact OD1-NE 2.74Å; D183-R207 IonicContact OD1-NH2 3.14Å; D183-R207 IonicContact OD2-CZ 3.83Å; D183-R207 IonicContact OD2-NE 2.72Å; D183-R207 IonicContact OD2-NH2 2.8Å; D183-R207 PolarHBondContact OD2-NH2 3.03Å; F204-R207 HydrophobicContact CE2-CB 3.99Å; F204-R207 HydrophobicContact CZ-CB 3.74Å; R207-G211 WeakPolarHBondContact CA-O 3.38Å; R207-Q212 HydrophobicContact CB-CB 4.22Å; R207-Q212 HydrophobicContact CG-CB 4.32Å
208	G	83.3	Confident	93.6	Very high	45 Å²	45	48.7 Å²	48.7	46%	0.464	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-168.4	177.2	0	0	0	0	0	111.3	F210 G211	G208-F210 VanDerWaalsContact C-N 3.33Å; G208-F210 PolarHBondContact O-N 2.97Å; G208-G211 PolarHBondContact N-O 2.56Å; G208-G211 PolarHBondContact O-N 2.82Å
209	T	82.2	Confident	93.5	Very high	93 Å²	93	52.6 Å²	52.6	57%	0.571	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-42.9	179.6	46.1	0	0	0	0	112.8	K231	T209-K231 WeakPolarHBondContact O-CD 3.49Å; T209-K231 WeakPolarHBondContact O-CE 3.39Å
210	F	81.2	Confident	93.4	Very high	45 Å²	45	56.3 Å²	56.3	20%	0.197	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.5	-173.7	-50.9	-65.6	0	0	0	114.7	G208 L230 K231 Y236 Q239	G208-F210 VanDerWaalsContact C-N 3.33Å; G208-F210 PolarHBondContact O-N 2.97Å; F210-L230 HydrophobicContact CB-CD2 4.2Å; F210-L230 WeakPolarHBondContact O-CA 3.38Å; F210-K231 PolarHBondContact O-N 2.88Å; F210-Y236 HydrophobicContact CD1-CD1 4.03Å; F210-Y236 HydrophobicContact CD1-CE1 4.22Å; F210-Q239 HydrophobicContact CE1-CG 4.4Å
211	G	89.7	Confident	93.3	Very high	7 Å²	7	56.5 Å²	56.5	7%	0.072	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144	-144.7	-169.4	0	0	0	0	0	112.4	R207 G208 I229	R207-G211 WeakPolarHBondContact CA-O 3.38Å; G208-G211 PolarHBondContact N-O 2.56Å; G208-G211 PolarHBondContact O-N 2.82Å; G211-I229 WeakPolarHBondContact CA-O 3.17Å
212	Q	93.1	Very high	93.1	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.065	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.3	-170.9	66.3	-162.1	16.7	0	0	112.8	Y184 F204 G206 R207 K228 I229	Y184-Q212 PolarHBondContact O-NE2 3.34Å; Y184-Q212 PolarHBondContact O-OE1 3.36Å; F204-Q212 HydrophobicContact CE2-CB 4.21Å; G206-Q212 CarbonylContact O-C 3.46Å; G206-Q212 VanDerWaalsContact O-CA 3.29Å; G206-Q212 WeakPolarHBondContact O-CA 3.42Å; G206-Q212 WeakPolarHBondContact O-CB 3.42Å; R207-Q212 HydrophobicContact CB-CB 4.22Å; R207-Q212 HydrophobicContact CG-CB 4.32Å; Q212-K228 CarbonylContact O-C 3.46Å; Q212-K228 WeakPolarHBondContact O-CA 3.42Å; Q212-I229 HydrophobicContact CG-CB 4.29Å; Q212-I229 PolarHBondContact N-O 3.2Å; Q212-I229 PolarHBondContact O-N 3.45Å
213	V	95.6	Very high	93	Very high	43 Å²	43	65.6 Å²	65.6	26%	0.261	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.4	179.7	-169.2	0	0	0	0	109.6	L205 G206 A226 I227 K228	L205-V213 HydrophobicContact CB-CB 4.38Å; L205-V213 HydrophobicContact CB-CG1 4.41Å; L205-V213 HydrophobicContact CD1-CG1 4.21Å; L205-V213 PolarHBondContact N-O 2.94Å; G206-V213 PolarHBondContact N-O 2.8Å; G206-V213 PolarHBondContact O-N 3.04Å; V213-A226 HydrophobicContact CG1-CB 4.09Å; V213-I227 WeakPolarHBondContact CA-O 3.41Å; V213-K228 HydrophobicContact CG2-CB 4.23Å; V213-K228 HydrophobicContact CG2-CG 4.25Å
214	A	97.2	Very high	93.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.5	176.1	0	0	0	0	0	110.9	L186 V201 E203 A226 I227	L186-A214 HydrophobicContact CD1-CB 3.92Å; L186-A214 HydrophobicContact CD2-CB 3.83Å; V201-A214 HydrophobicContact CG1-CB 4.36Å; E203-A214 CarbonylContact O-C 3.46Å; E203-A214 WeakPolarHBondContact O-CA 3.45Å; A214-A226 WeakPolarHBondContact O-CA 3.38Å; A214-I227 PolarHBondContact N-O 3.31Å; A214-I227 PolarHBondContact O-N 3.36Å
215	K	97.8	Very high	93.2	Very high	60 Å²	60	59.2 Å²	59.2	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.2	166.1	-168.9	-176.1	-164.4	175	0	107.5	L202 E203 L205 I224 M279	L202-K215 PolarHBondContact N-O 2.95Å; E203-K215 HydrophobicContact CB-CB 3.77Å; E203-K215 HydrophobicContact CB-CD 3.77Å; E203-K215 HydrophobicContact CB-CG 4.45Å; E203-K215 PolarHBondContact N-O 2.86Å; E203-K215 PolarHBondContact O-N 3.43Å; E203-K215 WeakPolarHBondContact OE2-CD 3.18Å; E203-K215 WeakPolarHBondContact OE2-CE 3.42Å; E203-K215 IonicContact OE2-NZ 3.77Å; E203-K215 PolarHBondContact OE2-NZ 3.43Å; L205-K215 HydrophobicContact CD1-CB 3.86Å; L205-K215 HydrophobicContact CD2-CB 4.04Å; L205-K215 HydrophobicContact CD2-CD 4.45Å; L205-K215 HydrophobicContact CG-CB 3.88Å; K215-I224 HydrophobicContact CG-CG2 3.8Å; K215-M279 HydrophobicContact CD-CE 4.43Å; K215-M279 HydrophobicContact CG-CE 4.24Å; K215-M279 HydrophobicContact CG-SD 4.02Å
216	C	98.3	Very high	93.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.2	-178.9	-54.1	0	0	0	0	111.7	E200 I224 V225 I227	E200-C216 CarbonylContact O-C 3.56Å; E200-C216 WeakPolarHBondContact O-CA 3.26Å; E200-C216 WeakPolarHBondContact O-CB 3.48Å; C216-I224 WeakPolarHBondContact O-CA 3.31Å; C216-V225 HydrophobicContact CB-CG2 4.02Å; C216-V225 PolarHBondContact N-O 2.86Å; C216-V225 WeakPolarHBondContact O-CG2 3.11Å; C216-V225 PolarHBondContact O-N 3.12Å; C216-I227 HydrophobicContact CB-CD1 3.85Å; C216-I227 HydrophobicContact CB-CG1 4.15Å
217	W	98.2	Very high	93.8	Very high	86 Å²	86	55.2 Å²	55.2	33%	0.326	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.3	168.3	173.3	45	0	0	0	109.9	Y199 E200 L202 R219 T221 I224	Y199-W217 CarbonylContact C-O 3.43Å; Y199-W217 WeakPolarHBondContact CA-O 3.46Å; E200-W217 HydrophobicContact CB-CE3 4.33Å; E200-W217 PolarHBondContact N-O 3.49Å; E200-W217 PolarHBondContact O-N 2.95Å; L202-W217 HydrophobicContact CD1-CB 4.05Å; L202-W217 HydrophobicContact CD2-CB 4.11Å; L202-W217 HydrophobicContact CG-CB 4.11Å; W217-R219 HydrophobicContact CD2-CG 4.38Å; W217-R219 HydrophobicContact CE3-CG 3.89Å; W217-R219 HydrophobicContact CZ3-CG 3.98Å; W217-R219 PolarHBondContact O-N 2.95Å; W217-T221 PolarHBondContact NE1-O 3.41Å; W217-I224 HydrophobicContact CB-CD1 3.97Å; W217-I224 HydrophobicContact CG-CD1 4.31Å
218	K	97.6	Very high	94.1	Very high	49 Å²	49	49.2 Å²	49.2	21%	0.213	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	100.6	174.7	-178.7	-177.2	169.4	-169	0	109.2	Y199 T221 E223	Y199-K218 HydrophobicContact CD1-CB 3.8Å; Y199-K218 HydrophobicContact CD1-CG 4.1Å; Y199-K218 HydrophobicContact CE1-CB 3.69Å; Y199-K218 HydrophobicContact CE1-CD 3.96Å; Y199-K218 HydrophobicContact CE1-CG 3.64Å; K218-T221 HydrophobicContact CD-CG2 4.08Å; K218-T221 HydrophobicContact CG-CG2 4.18Å; K218-T221 PolarHBondContact O-N 3.48Å; K218-T221 VanDerWaalsContact O-N 3.09Å; K218-T221 PolarHBondContact O-OG1 2.57Å; K218-E223 HydrophobicContact CB-CB 4.32Å; K218-E223 HydrophobicContact CD-CB 4.38Å; K218-E223 VanDerWaalsContact CD-OE2 3.25Å; K218-E223 WeakPolarHBondContact CD-OE2 3.5Å; K218-E223 WeakPolarHBondContact CE-OE2 3.34Å; K218-E223 PolarHBondContact N-O 3.47Å; K218-E223 IonicContact NZ-OE2 3.77Å; K218-E223 PolarHBondContact NZ-OE2 3.21Å
219	R	95.9	Very high	94.7	Very high	128 Å²	128	47.1 Å²	47.1	48%	0.483	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142	-174.2	-63.5	-174.3	65.8	-166	0.2	111.2	S198 E200 W217 T221	S198-R219 WeakPolarHBondContact O-CB 3.46Å; S198-R219 PolarHBondContact O-N 3.12Å; E200-R219 HydrophobicContact CB-CG 4.1Å; E200-R219 IonicContact OE2-NE 2.79Å; W217-R219 HydrophobicContact CD2-CG 4.38Å; W217-R219 HydrophobicContact CE3-CG 3.89Å; W217-R219 HydrophobicContact CZ3-CG 3.98Å; W217-R219 PolarHBondContact O-N 2.95Å; R219-T221 VanDerWaalsContact C-N 3.27Å
220	G	94.8	Very high	95.2	Very high	82 Å²	82	42.9 Å²	42.9	85%	0.845	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	-0.5	-172	0	0	0	0	0	114.5
221	T	95.5	Very high	95.7	Very high	40 Å²	40	42.1 Å²	42.1	25%	0.245	22%	0.224	C	C	.	.	S	Bend	trans	-131.2	177.2	173.5	77.1	0	0	0	0	110.4	W217 K218 R219 E223	W217-T221 PolarHBondContact NE1-O 3.41Å; K218-T221 HydrophobicContact CD-CG2 4.08Å; K218-T221 HydrophobicContact CG-CG2 4.18Å; K218-T221 PolarHBondContact O-N 3.48Å; K218-T221 VanDerWaalsContact O-N 3.09Å; K218-T221 PolarHBondContact O-OG1 2.57Å; R219-T221 VanDerWaalsContact C-N 3.27Å; T221-E223 WeakPolarHBondContact OG1-CB 3.37Å; T221-E223 PolarHBondContact OG1-N 3.02Å
222	N	93.9	Very high	95.7	Very high	161 Å²	161	45.9 Å²	45.9	86%	0.861	24%	0.242	S	C	*	.	S	Bend	trans	-99.8	17	167.1	-67.1	-14.3	0	0	0	112.1
223	E	96.1	Very high	95.5	Very high	81 Å²	81	48.8 Å²	48.8	38%	0.379	26%	0.256	S	S	.	.			trans	-84.7	123.4	-175.1	-58.1	-178	133.5	0	0	111.1	K218 T221	K218-E223 HydrophobicContact CB-CB 4.32Å; K218-E223 HydrophobicContact CD-CB 4.38Å; K218-E223 VanDerWaalsContact CD-OE2 3.25Å; K218-E223 WeakPolarHBondContact CD-OE2 3.5Å; K218-E223 WeakPolarHBondContact CE-OE2 3.34Å; K218-E223 PolarHBondContact N-O 3.47Å; K218-E223 IonicContact NZ-OE2 3.77Å; K218-E223 PolarHBondContact NZ-OE2 3.21Å; T221-E223 WeakPolarHBondContact OG1-CB 3.37Å; T221-E223 PolarHBondContact OG1-N 3.02Å
224	I	97.6	Very high	95.1	Very high	66 Å²	66	51.5 Å²	51.5	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.8	165	-55	-56.9	0	0	0	107.9	L202 K215 C216 W217 M279	L202-I224 HydrophobicContact CD1-CD1 3.84Å; K215-I224 HydrophobicContact CG-CG2 3.8Å; C216-I224 WeakPolarHBondContact O-CA 3.31Å; W217-I224 HydrophobicContact CB-CD1 3.97Å; W217-I224 HydrophobicContact CG-CD1 4.31Å; I224-M279 HydrophobicContact CG2-CB 4.19Å; I224-M279 HydrophobicContact CG2-CG 4.01Å; I224-M279 HydrophobicContact CG2-SD 4.39Å; I224-M279 WeakPolarHBondContact O-CB 3.01Å
225	V	97.8	Very high	94.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.9	-176.3	-64.4	0	0	0	0	110.9	Y199 C216 I227 Y264 V276 F277	Y199-V225 HydrophobicContact CD1-CG2 3.63Å; Y199-V225 HydrophobicContact CE1-CG2 3.79Å; C216-V225 HydrophobicContact CB-CG2 4.02Å; C216-V225 PolarHBondContact N-O 2.86Å; C216-V225 WeakPolarHBondContact O-CG2 3.11Å; C216-V225 PolarHBondContact O-N 3.12Å; V225-I227 HydrophobicContact CG2-CD1 4.19Å; V225-I227 HydrophobicContact CG2-CG1 4Å; V225-Y264 HydrophobicContact CG1-CD2 4.16Å; V225-Y264 HydrophobicContact CG1-CE2 4Å; V225-V276 HydrophobicContact CB-CG1 3.87Å; V225-V276 HydrophobicContact CG1-CG1 4.09Å; V225-V276 HydrophobicContact CG2-CG1 3.92Å; V225-F277 WeakPolarHBondContact CA-O 3.45Å; V225-F277 VanDerWaalsContact CB-O 3.31Å; V225-F277 WeakPolarHBondContact CB-O 3.39Å
226	A	98.1	Very high	93.7	Very high	13 Å²	13	54.8 Å²	54.8	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.7	165.8	0	0	0	0	0	109.2	L205 V213 A214 F277 M279	L205-A226 HydrophobicContact CD1-CB 4.42Å; V213-A226 HydrophobicContact CG1-CB 4.09Å; A214-A226 WeakPolarHBondContact O-CA 3.38Å; A226-F277 HydrophobicContact CB-CB 4.48Å; A226-F277 PolarHBondContact N-O 2.9Å; A226-F277 PolarHBondContact O-N 2.81Å; A226-M279 HydrophobicContact CB-SD 4.29Å
227	I	97.3	Very high	92.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.4	177.1	-56.3	-170.6	0	0	0	109.4	L192 Y199 V213 A214 C216 V225 I229 C274 L275 V276	L192-I227 HydrophobicContact CD1-CD1 4.36Å; L192-I227 HydrophobicContact CD1-CG2 4.35Å; Y199-I227 HydrophobicContact CD1-CD1 3.85Å; Y199-I227 HydrophobicContact CD2-CD1 3.96Å; Y199-I227 HydrophobicContact CE1-CD1 4.5Å; Y199-I227 HydrophobicContact CG-CD1 3.53Å; V213-I227 WeakPolarHBondContact CA-O 3.41Å; A214-I227 PolarHBondContact N-O 3.31Å; A214-I227 PolarHBondContact O-N 3.36Å; C216-I227 HydrophobicContact CB-CD1 3.85Å; C216-I227 HydrophobicContact CB-CG1 4.15Å; V225-I227 HydrophobicContact CG2-CD1 4.19Å; V225-I227 HydrophobicContact CG2-CG1 4Å; I227-I229 HydrophobicContact CG2-CG1 4.1Å; I227-C274 HydrophobicContact CG2-CB 4.01Å; I227-L275 CarbonylContact C-O 3.55Å; I227-L275 WeakPolarHBondContact CA-O 3.47Å; I227-V276 HydrophobicContact CD1-CG1 4.5Å; I227-V276 HydrophobicContact CD1-CG2 4.16Å; I227-V276 HydrophobicContact CG1-CG1 4.2Å; I227-V276 HydrophobicContact CG1-CG2 4.22Å
228	K	95.6	Very high	92.3	Very high	19 Å²	19	61.3 Å²	61.3	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.6	172.9	-176.7	178.4	172.8	-168.6	0	108.4	Q212 V213 L230 E243 C274 L275 F277 D346	Q212-K228 CarbonylContact O-C 3.46Å; Q212-K228 WeakPolarHBondContact O-CA 3.42Å; V213-K228 HydrophobicContact CG2-CB 4.23Å; V213-K228 HydrophobicContact CG2-CG 4.25Å; K228-L230 HydrophobicContact CD-CD2 4.37Å; K228-L230 HydrophobicContact CG-CD2 4.16Å; K228-E243 IonicContact NZ-OE1 3.51Å; K228-E243 PolarHBondContact NZ-OE1 3.42Å; K228-E243 IonicContact NZ-OE2 3.27Å; K228-E243 PolarHBondContact NZ-OE2 2.99Å; K228-C274 WeakPolarHBondContact O-CA 3.14Å; K228-L275 HydrophobicContact CB-CB 4.34Å; K228-L275 HydrophobicContact CD-CD1 4.46Å; K228-L275 PolarHBondContact N-O 2.7Å; K228-L275 PolarHBondContact O-N 3.06Å; K228-F277 HydrophobicContact CB-CD2 4.47Å; K228-F277 HydrophobicContact CB-CE2 3.88Å; K228-F277 HydrophobicContact CD-CE2 4.38Å; K228-D346 IonicContact NZ-OD1 2.74Å; K228-D346 PolarHBondContact NZ-OD1 3.32Å
229	I	94.8	Very high	91.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.4	177.7	-50.6	175.4	0	0	0	107.5	Y184 L186 L192 G211 Q212 I227 H272	Y184-I229 HydrophobicContact CD1-CD1 3.97Å; Y184-I229 HydrophobicContact CD1-CG2 4.46Å; Y184-I229 HydrophobicContact CD2-CG2 4.23Å; Y184-I229 HydrophobicContact CE1-CD1 4.31Å; Y184-I229 HydrophobicContact CG-CD1 4.44Å; Y184-I229 HydrophobicContact CG-CG2 3.9Å; L186-I229 HydrophobicContact CD1-CD1 3.89Å; L192-I229 HydrophobicContact CD1-CD1 3.89Å; G211-I229 WeakPolarHBondContact CA-O 3.17Å; Q212-I229 HydrophobicContact CG-CB 4.29Å; Q212-I229 PolarHBondContact N-O 3.2Å; Q212-I229 PolarHBondContact O-N 3.45Å; I227-I229 HydrophobicContact CG2-CG1 4.1Å; I229-H272 HydrophobicContact CG2-CB 3.8Å
230	L	93.1	Very high	91.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	150	178.1	-58.9	-175.3	0	0	0	111.2	F210 K228 G240 H272 T273	F210-L230 HydrophobicContact CB-CD2 4.2Å; F210-L230 WeakPolarHBondContact O-CA 3.38Å; K228-L230 HydrophobicContact CD-CD2 4.37Å; K228-L230 HydrophobicContact CG-CD2 4.16Å; L230-G240 VanDerWaalsContact CD1-CA 3.44Å; L230-H272 WeakPolarHBondContact O-CB 3.45Å; L230-H272 PolarHBondContact O-ND1 3.06Å; L230-T273 HydrophobicContact CD1-CG2 4.21Å; L230-T273 PolarHBondContact N-O 2.89Å
231	K	92	Very high	90.9	Very high	30 Å²	30	57.3 Å²	57.3	13%	0.13	29%	0.294	C	S	.	.			trans	-61.9	138.9	172.1	-75.8	167.7	-176.5	-86.8	0	111.2	G182 D183 T209 F210 H233 Y236	G182-K231 CarbonylContact O-C 3.56Å; G182-K231 WeakPolarHBondContact O-CA 3.38Å; G182-K231 WeakPolarHBondContact O-CB 3.41Å; D183-K231 VanDerWaalsContact OD1-CE 3.27Å; D183-K231 WeakPolarHBondContact OD1-CE 3.27Å; D183-K231 WeakPolarHBondContact OD1-CG 3.44Å; D183-K231 IonicContact OD1-NZ 2.68Å; D183-K231 PolarHBondContact OD1-NZ 3.13Å; D183-K231 IonicContact OD2-NZ 2.59Å; D183-K231 PolarHBondContact OD2-NZ 3.47Å; T209-K231 WeakPolarHBondContact O-CD 3.49Å; T209-K231 WeakPolarHBondContact O-CE 3.39Å; F210-K231 PolarHBondContact O-N 2.88Å; K231-H233 VanDerWaalsContact C-N 3.31Å; K231-H233 PolarHBondContact O-N 2.96Å; K231-Y236 HydrophobicContact CB-CD2 3.46Å; K231-Y236 VanDerWaalsContact CB-CD2 3.46Å; K231-Y236 HydrophobicContact CB-CE2 4.06Å; K231-Y236 HydrophobicContact CB-CG 4.17Å; K231-Y236 HydrophobicContact CD-CD2 3.72Å; K231-Y236 HydrophobicContact CD-CE2 3.42Å; K231-Y236 VanDerWaalsContact CD-CE2 3.42Å; K231-Y236 HydrophobicContact CG-CD2 4.25Å; K231-Y236 HydrophobicContact CG-CE2 4.41Å
232	N	90.2	Very high	90.6	Very high	85 Å²	85	58.9 Å²	58.9	46%	0.455	30%	0.3	S	S	.	.	S	Bend	trans	-80.7	77.2	173.2	-176.3	9	0	0	0	110.2	G182 H272	G182-N232 WeakPolarHBondContact CA-O 3.41Å; G182-N232 PolarHBondContact O-N 3.11Å; N232-H272 PolarHBondContact N-ND1 2.8Å
233	H	88.9	Confident	90.5	Very high	75 Å²	75	51.4 Å²	51.4	35%	0.347	26%	0.26	S	S	.	.	S	Bend	trans	-144.4	141.7	172.5	177.8	-100.5	0	0	0	109.1	K231 S235 Y236 A237	K231-H233 VanDerWaalsContact C-N 3.31Å; K231-H233 PolarHBondContact O-N 2.96Å; H233-S235 VanDerWaalsContact C-N 3.26Å; H233-S235 PolarHBondContact CE1-OG 3.41Å; H233-S235 VanDerWaalsContact CE1-OG 3.32Å; H233-S235 PolarHBondContact ND1-OG 3.19Å; H233-S235 PolarHBondContact O-N 3.28Å; H233-S235 VanDerWaalsContact O-N 3.08Å; H233-Y236 HydrophobicContact CB-CD2 3.83Å; H233-Y236 HydrophobicContact CB-CE2 4.34Å; H233-Y236 PolarHBondContact O-N 3.18Å; H233-A237 PolarHBondContact O-N 2.91Å
234	P	85.7	Confident	90.3	Very high	101 Å²	101	48.4 Å²	48.4	66%	0.656	25%	0.247	S	C	*	.	H	α-helix	trans	-54.5	-34.4	-170.7	-30.5	37.3	0	0	0	115.5	R238	P234-R238 PolarHBondContact O-N 3Å
235	S	83.6	Confident	90.1	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-43.1	176.3	-48.9	0	0	0	0	112.5	H233 R238 Q239	H233-S235 VanDerWaalsContact C-N 3.26Å; H233-S235 PolarHBondContact CE1-OG 3.41Å; H233-S235 VanDerWaalsContact CE1-OG 3.32Å; H233-S235 PolarHBondContact ND1-OG 3.19Å; H233-S235 PolarHBondContact O-N 3.28Å; H233-S235 VanDerWaalsContact O-N 3.08Å; S235-R238 PolarHBondContact O-N 3.34Å; S235-Q239 PolarHBondContact O-N 3.39Å
236	Y	82.8	Confident	90	Very high	71 Å²	71	47.9 Å²	47.9	28%	0.278	26%	0.255	S	S	.	.	H	α-helix	trans	-77.3	-29.7	178.6	-56.1	-54.5	0	0	0	111.9	F210 K231 H233 Q239 G240	F210-Y236 HydrophobicContact CD1-CD1 4.03Å; F210-Y236 HydrophobicContact CD1-CE1 4.22Å; K231-Y236 HydrophobicContact CB-CD2 3.46Å; K231-Y236 VanDerWaalsContact CB-CD2 3.46Å; K231-Y236 HydrophobicContact CB-CE2 4.06Å; K231-Y236 HydrophobicContact CB-CG 4.17Å; K231-Y236 HydrophobicContact CD-CD2 3.72Å; K231-Y236 HydrophobicContact CD-CE2 3.42Å; K231-Y236 VanDerWaalsContact CD-CE2 3.42Å; K231-Y236 HydrophobicContact CG-CD2 4.25Å; K231-Y236 HydrophobicContact CG-CE2 4.41Å; H233-Y236 HydrophobicContact CB-CD2 3.83Å; H233-Y236 HydrophobicContact CB-CE2 4.34Å; H233-Y236 PolarHBondContact O-N 3.18Å; Y236-Q239 PolarHBondContact O-N 2.86Å; Y236-G240 PolarHBondContact O-N 3.39Å
237	A	82.5	Confident	89.8	Confident	42 Å²	42	47.5 Å²	47.5	35%	0.347	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-46.2	168.8	0	0	0	0	0	111.2	H233 G240 Q241	H233-A237 PolarHBondContact O-N 2.91Å; A237-G240 PolarHBondContact O-N 2.83Å; A237-Q241 WeakPolarHBondContact O-CG 3.49Å; A237-Q241 PolarHBondContact O-N 2.92Å
238	R	84.3	Confident	89.6	Confident	182 Å²	182	52.4 Å²	52.4	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-46.9	174.3	-176.9	-174.5	-65	-91.6	2	111.8	P234 S235 G240 Q241 I242	P234-R238 PolarHBondContact O-N 3Å; S235-R238 PolarHBondContact O-N 3.34Å; R238-G240 VanDerWaalsContact C-N 3.34Å; R238-Q241 PolarHBondContact O-N 3.14Å; R238-I242 PolarHBondContact O-N 3.48Å
239	Q	83.4	Confident	89.5	Confident	57 Å²	57	56.5 Å²	56.5	27%	0.266	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-38	179	-163.9	63	18.4	0	0	111.8	F210 S235 Y236 Q241 I242 E243 G348	F210-Q239 HydrophobicContact CE1-CG 4.4Å; S235-Q239 PolarHBondContact O-N 3.39Å; Y236-Q239 PolarHBondContact O-N 2.86Å; Q239-Q241 VanDerWaalsContact C-N 3.33Å; Q239-Q241 PolarHBondContact O-N 2.68Å; Q239-I242 WeakPolarHBondContact O-CA 3.45Å; Q239-I242 WeakPolarHBondContact O-CB 3.01Å; Q239-I242 PolarHBondContact O-N 2.89Å; Q239-E243 PolarHBondContact O-N 3.39Å; Q239-G348 WeakPolarHBondContact CG-O 3.35Å; Q239-G348 PolarHBondContact NE2-O 2.9Å
240	G	86.3	Confident	89.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-37.8	173.9	0	0	0	0	0	113.2	L230 Y236 A237 R238 I242 E243 V244	L230-G240 VanDerWaalsContact CD1-CA 3.44Å; Y236-G240 PolarHBondContact O-N 3.39Å; A237-G240 PolarHBondContact O-N 2.83Å; R238-G240 VanDerWaalsContact C-N 3.34Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 2.89Å; G240-E243 PolarHBondContact O-N 2.79Å; G240-V244 WeakPolarHBondContact O-CB 3.48Å; G240-V244 WeakPolarHBondContact O-CG2 3.41Å; G240-V244 PolarHBondContact O-N 2.9Å
241	Q	89.4	Confident	89.6	Confident	117 Å²	117	60 Å²	60	55%	0.547	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-31.6	173	-64.5	-55	-57.3	0	0	112.7	A237 R238 Q239 G245	A237-Q241 WeakPolarHBondContact O-CG 3.49Å; A237-Q241 PolarHBondContact O-N 2.92Å; R238-Q241 PolarHBondContact O-N 3.14Å; Q239-Q241 VanDerWaalsContact C-N 3.33Å; Q239-Q241 PolarHBondContact O-N 2.68Å; Q241-G245 PolarHBondContact O-N 2.72Å
242	I	89.1	Confident	89.7	Confident	73 Å²	73	62.5 Å²	62.5	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-70.9	-46.8	173.7	-62	168.8	0	0	0	110	R238 Q239 G240 V244 G245 I246	R238-I242 PolarHBondContact O-N 3.48Å; Q239-I242 WeakPolarHBondContact O-CA 3.45Å; Q239-I242 WeakPolarHBondContact O-CB 3.01Å; Q239-I242 PolarHBondContact O-N 2.89Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 2.89Å; I242-V244 PolarHBondContact O-N 3.09Å; I242-G245 PolarHBondContact O-N 2.77Å; I242-I246 HydrophobicContact CG2-CD1 4.08Å; I242-I246 WeakPolarHBondContact O-CG1 3.46Å; I242-I246 PolarHBondContact O-N 3.23Å
243	E	91.7	Very high	89.9	Confident	4 Å²	4	61 Å²	61	2%	0.019	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-46.7	176.3	-174.6	173.2	178	0	0	111.3	K228 Q239 G240 G245 I246 L247 L275 F347 G348	K228-E243 IonicContact NZ-OE1 3.51Å; K228-E243 PolarHBondContact NZ-OE1 3.42Å; K228-E243 IonicContact NZ-OE2 3.27Å; K228-E243 PolarHBondContact NZ-OE2 2.99Å; Q239-E243 PolarHBondContact O-N 3.39Å; G240-E243 PolarHBondContact O-N 2.79Å; E243-G245 PolarHBondContact O-N 2.83Å; E243-I246 PolarHBondContact O-N 2.79Å; E243-I246 VanDerWaalsContact O-N 3.14Å; E243-L247 HydrophobicContact CG-CD1 3.95Å; E243-L247 HydrophobicContact CG-CG 4.34Å; E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 VanDerWaalsContact O-CG 3.31Å; E243-L247 WeakPolarHBondContact O-CG 3.35Å; E243-L247 PolarHBondContact O-N 2.74Å; E243-L275 HydrophobicContact CG-CD1 4Å; E243-F347 HydrophobicContact CG-CB 4.44Å; E243-G348 VanDerWaalsContact OE2-CA 3.3Å; E243-G348 WeakPolarHBondContact OE2-CA 3.27Å
244	V	92.4	Very high	90.3	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.109	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-43.2	173.7	169.1	0	0	0	0	111.7	G240 I242 I246 L247 N248 C266 L275	G240-V244 WeakPolarHBondContact O-CB 3.48Å; G240-V244 WeakPolarHBondContact O-CG2 3.41Å; G240-V244 PolarHBondContact O-N 2.9Å; I242-V244 PolarHBondContact O-N 3.09Å; V244-I246 VanDerWaalsContact C-N 3.25Å; V244-I246 PolarHBondContact O-N 2.9Å; V244-L247 PolarHBondContact O-N 2.79Å; V244-N248 VanDerWaalsContact O-CB 3.26Å; V244-N248 WeakPolarHBondContact O-CB 3.4Å; V244-N248 PolarHBondContact O-N 2.71Å; V244-N248 PolarHBondContact O-ND2 2.79Å; V244-C266 HydrophobicContact CG2-CB 4.17Å; V244-C266 VanDerWaalsContact CG2-SG 3.53Å; V244-L275 HydrophobicContact CG2-CD2 3.51Å
245	G	94.1	Very high	90.7	Very high	43 Å²	43	56.8 Å²	56.8	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-32.2	176	0	0	0	0	0	113.6	Q241 I242 E243	Q241-G245 PolarHBondContact O-N 2.72Å; I242-G245 PolarHBondContact O-N 2.77Å; E243-G245 PolarHBondContact O-N 2.83Å
246	I	95.1	Very high	91.3	Very high	12 Å²	12	57 Å²	57	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-79.5	-45.7	176.5	-68.7	172.3	0	0	0	110.9	I242 E243 V244 N248 R249 L250 L320 F347 A350	I242-I246 HydrophobicContact CG2-CD1 4.08Å; I242-I246 WeakPolarHBondContact O-CG1 3.46Å; I242-I246 PolarHBondContact O-N 3.23Å; E243-I246 PolarHBondContact O-N 2.79Å; E243-I246 VanDerWaalsContact O-N 3.14Å; V244-I246 VanDerWaalsContact C-N 3.25Å; V244-I246 PolarHBondContact O-N 2.9Å; I246-N248 VanDerWaalsContact C-N 3.3Å; I246-N248 PolarHBondContact O-N 3.44Å; I246-R249 WeakPolarHBondContact O-CA 3.42Å; I246-R249 WeakPolarHBondContact O-CB 3.27Å; I246-R249 PolarHBondContact O-N 3Å; I246-L250 HydrophobicContact CG2-CD1 4.06Å; I246-L250 HydrophobicContact CG2-CG 4.5Å; I246-L250 WeakPolarHBondContact O-CG 3.22Å; I246-L250 PolarHBondContact O-N 3.4Å; I246-L320 HydrophobicContact CG1-CD2 4.23Å; I246-L320 HydrophobicContact CG2-CD1 4.21Å; I246-L320 HydrophobicContact CG2-CD2 4.46Å; I246-F347 HydrophobicContact CG2-CB 4.23Å; I246-F347 HydrophobicContact CG2-CD1 4.14Å; I246-F347 HydrophobicContact CG2-CG 4.36Å; I246-A350 HydrophobicContact CD1-CB 3.67Å; I246-A350 WeakPolarHBondContact CD1-O 3.03Å; I246-A350 HydrophobicContact CG2-CB 4.4Å
247	L	94.4	Very high	91.8	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-39.1	175.8	-68.6	173.8	0	0	0	111.8	E243 V244 R249 L250 S251 L275 F277 F347	E243-L247 HydrophobicContact CG-CD1 3.95Å; E243-L247 HydrophobicContact CG-CG 4.34Å; E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 VanDerWaalsContact O-CG 3.31Å; E243-L247 WeakPolarHBondContact O-CG 3.35Å; E243-L247 PolarHBondContact O-N 2.74Å; V244-L247 PolarHBondContact O-N 2.79Å; L247-R249 PolarHBondContact O-N 2.87Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-L250 VanDerWaalsContact O-N 3.1Å; L247-S251 WeakPolarHBondContact O-CB 3.48Å; L247-S251 PolarHBondContact O-N 3.15Å; L247-S251 PolarHBondContact O-OG 3.29Å; L247-L275 HydrophobicContact CD1-CD1 4.06Å; L247-F277 HydrophobicContact CD1-CE1 3.82Å; L247-F277 HydrophobicContact CD1-CZ 3.76Å; L247-F277 HydrophobicContact CD2-CE1 3.92Å; L247-F347 HydrophobicContact CD2-CB 4.48Å; L247-F347 HydrophobicContact CD2-CD2 3.89Å; L247-F347 HydrophobicContact CD2-CG 4.46Å
248	N	93.3	Very high	92.5	Very high	104 Å²	104	57.4 Å²	57.4	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-22.1	173	-73.3	-16.8	0	0	0	113.7	V244 I246 S251	V244-N248 VanDerWaalsContact O-CB 3.26Å; V244-N248 WeakPolarHBondContact O-CB 3.4Å; V244-N248 PolarHBondContact O-N 2.71Å; V244-N248 PolarHBondContact O-ND2 2.79Å; I246-N248 VanDerWaalsContact C-N 3.3Å; I246-N248 PolarHBondContact O-N 3.44Å; N248-S251 PolarHBondContact O-OG 3.06Å
249	R	93.5	Very high	93.2	Very high	104 Å²	104	49.5 Å²	49.5	39%	0.392	27%	0.272	S	S	.	.	H	α-helix	trans	-86.2	-27.8	172.6	-167.6	172.2	-178.3	-167.6	-6.7	112.1	I246 L247 L318 H352	I246-R249 WeakPolarHBondContact O-CA 3.42Å; I246-R249 WeakPolarHBondContact O-CB 3.27Å; I246-R249 PolarHBondContact O-N 3Å; L247-R249 PolarHBondContact O-N 2.87Å; R249-L318 PolarHBondContact NH1-O 3.23Å; R249-L318 PolarHBondContact NH2-O 2.6Å; R249-H352 PolarHBondContact NH1-CD2 3.25Å; R249-H352 PolarHBondContact NH1-NE2 2.92Å
250	L	95.1	Very high	93.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-83	-24.1	175.3	-64.6	174.2	0	0	0	113.1	I246 L247 A252 E253 F260 L315 L318 L320 F347	I246-L250 HydrophobicContact CG2-CD1 4.06Å; I246-L250 HydrophobicContact CG2-CG 4.5Å; I246-L250 WeakPolarHBondContact O-CG 3.22Å; I246-L250 PolarHBondContact O-N 3.4Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-L250 VanDerWaalsContact O-N 3.1Å; L250-A252 PolarHBondContact O-N 3.03Å; L250-E253 WeakPolarHBondContact O-CB 3.32Å; L250-E253 PolarHBondContact O-N 3.12Å; L250-E253 VanDerWaalsContact O-N 3.09Å; L250-F260 HydrophobicContact CB-CD2 4.39Å; L250-F260 HydrophobicContact CB-CE2 3.88Å; L250-F260 HydrophobicContact CB-CZ 4.26Å; L250-F260 HydrophobicContact CD2-CE1 4.13Å; L250-F260 HydrophobicContact CD2-CE2 4.36Å; L250-F260 HydrophobicContact CD2-CZ 4.07Å; L250-L315 HydrophobicContact CD1-CD2 4.43Å; L250-L315 HydrophobicContact CD2-CD2 3.75Å; L250-L318 HydrophobicContact CD2-CD1 3.83Å; L250-L320 HydrophobicContact CD2-CD1 4.11Å; L250-L320 HydrophobicContact CG-CD1 4.5Å; L250-F347 HydrophobicContact CD1-CD1 3.89Å; L250-F347 HydrophobicContact CD1-CD2 3.98Å; L250-F347 HydrophobicContact CD1-CE1 3.61Å; L250-F347 HydrophobicContact CD1-CE2 3.72Å; L250-F347 HydrophobicContact CD1-CG 4.07Å; L250-F347 HydrophobicContact CD1-CZ 3.54Å
251	S	93.4	Very high	94.4	Very high	74 Å²	74	47.2 Å²	47.2	52%	0.517	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16	176.9	64.1	0	0	0	0	113.8	L247 N248 E253	L247-S251 WeakPolarHBondContact O-CB 3.48Å; L247-S251 PolarHBondContact O-N 3.15Å; L247-S251 PolarHBondContact O-OG 3.29Å; N248-S251 PolarHBondContact O-OG 3.06Å; S251-E253 PolarHBondContact O-N 2.89Å
252	A	94	Very high	94.7	Very high	83 Å²	83	47.7 Å²	47.7	69%	0.686	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.1	168.2	0	0	0	0	0	113.4	L250	L250-A252 PolarHBondContact O-N 3.03Å
253	E	95.8	Very high	95	Very high	54 Å²	54	45.4 Å²	45.4	25%	0.252	25%	0.249	S	C	.	.	S	Bend	trans	-128	154	-168.1	-63.7	-75.1	-157.7	0	0	111.6	L250 S251 A255 Y258 F260 K314 L318	L250-E253 WeakPolarHBondContact O-CB 3.32Å; L250-E253 PolarHBondContact O-N 3.12Å; L250-E253 VanDerWaalsContact O-N 3.09Å; S251-E253 PolarHBondContact O-N 2.89Å; E253-A255 PolarHBondContact O-N 2.99Å; E253-Y258 HydrophobicContact CB-CD2 4.4Å; E253-F260 HydrophobicContact CB-CZ 3.89Å; E253-K314 WeakPolarHBondContact OE1-CE 3.29Å; E253-K314 IonicContact OE1-NZ 2.69Å; E253-K314 PolarHBondContact OE1-NZ 3.46Å; E253-K314 WeakPolarHBondContact OE2-CE 3.38Å; E253-K314 IonicContact OE2-NZ 3.61Å; E253-K314 PolarHBondContact OE2-NZ 2.69Å; E253-L318 HydrophobicContact CG-CD1 4.48Å
254	N	95.7	Very high	95.1	Very high	78 Å²	78	50 Å²	50	42%	0.417	27%	0.267	S	S	.	.			trans	-77.1	89.6	-174.2	-172.2	2.3	0	0	0	112.6	D256 E257 Y258	N254-D256 PolarHBondContact O-N 2.76Å; N254-D256 PolarHBondContact OD1-N 2.9Å; N254-E257 HydrophobicContact CB-CB 4Å; N254-E257 WeakPolarHBondContact ND2-CB 3.3Å; N254-E257 PolarHBondContact ND2-OE2 3.09Å; N254-E257 PolarHBondContact O-N 2.82Å; N254-E257 VanDerWaalsContact O-N 3.09Å; N254-Y258 HydrophobicContact CB-CD2 4.36Å; N254-Y258 HydrophobicContact CB-CE2 4.36Å; N254-Y258 WeakPolarHBondContact O-CD2 3.37Å; N254-Y258 PolarHBondContact O-N 2.83Å
255	A	95.9	Very high	95.1	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-52.5	-34	179.6	0	0	0	0	0	114.6	E253 N259 F260 R262	E253-A255 PolarHBondContact O-N 2.99Å; A255-N259 PolarHBondContact O-N 2.81Å; A255-F260 HydrophobicContact CB-CD2 3.9Å; A255-F260 HydrophobicContact CB-CE2 3.68Å; A255-F260 PolarHBondContact O-N 3.43Å; A255-R262 HydrophobicContact CB-CB 3.96Å; A255-R262 HydrophobicContact CB-CG 4.48Å
256	D	94.5	Very high	95.1	Very high	62 Å²	62	52.3 Å²	52.3	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-78.9	-24.6	179.9	-84.5	-60.7	0	0	0	114.3	N254 R341 K343	N254-D256 PolarHBondContact O-N 2.76Å; N254-D256 PolarHBondContact OD1-N 2.9Å; D256-R341 PolarHBondContact O-NH2 3.1Å; D256-R341 IonicContact OD1-CZ 3.52Å; D256-R341 IonicContact OD1-NH1 3.97Å; D256-R341 IonicContact OD1-NH2 2.96Å; D256-R341 PolarHBondContact OD1-NH2 2.8Å; D256-K343 WeakPolarHBondContact OD1-CE 3.09Å; D256-K343 IonicContact OD1-NZ 2.71Å; D256-K343 PolarHBondContact OD1-NZ 3.26Å; D256-K343 IonicContact OD2-NZ 3.37Å
257	E	94.6	Very high	95.1	Very high	72 Å²	72	52.6 Å²	52.6	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-87.8	-34.9	174.8	176.3	171.7	-165	0	0	111.8	N254 N259 R553	N254-E257 HydrophobicContact CB-CB 4Å; N254-E257 WeakPolarHBondContact ND2-CB 3.3Å; N254-E257 PolarHBondContact ND2-OE2 3.09Å; N254-E257 PolarHBondContact O-N 2.82Å; N254-E257 VanDerWaalsContact O-N 3.09Å; E257-N259 PolarHBondContact O-ND2 3.43Å; E257-R553 IonicContact OE1-NH1 2.69Å
258	Y	97.1	Very high	95	Very high	49 Å²	49	59.5 Å²	59.5	19%	0.192	30%	0.304	C	S	.	.	H	α-helix	trans	-97.4	1.7	-177.7	-60.1	-49.3	0	0	0	114.5	E253 N254 F260 T310 A311 K314	E253-Y258 HydrophobicContact CB-CD2 4.4Å; N254-Y258 HydrophobicContact CB-CD2 4.36Å; N254-Y258 HydrophobicContact CB-CE2 4.36Å; N254-Y258 WeakPolarHBondContact O-CD2 3.37Å; N254-Y258 PolarHBondContact O-N 2.83Å; Y258-F260 HydrophobicContact CD2-CE1 4.21Å; Y258-F260 HydrophobicContact CD2-CZ 4.48Å; Y258-F260 HydrophobicContact CG-CE1 4.23Å; Y258-F260 PolarHBondContact O-N 3.39Å; Y258-T310 HydrophobicContact CD1-CG2 4.3Å; Y258-A311 WeakPolarHBondContact O-CA 3.02Å; Y258-A311 WeakPolarHBondContact O-CB 3.3Å; Y258-A311 PolarHBondContact O-N 2.76Å; Y258-K314 HydrophobicContact CD1-CB 4.03Å; Y258-K314 HydrophobicContact CD1-CD 4.03Å; Y258-K314 HydrophobicContact CD1-CG 4.07Å; Y258-K314 HydrophobicContact CD2-CB 4.46Å; Y258-K314 HydrophobicContact CD2-CD 3.75Å; Y258-K314 HydrophobicContact CD2-CG 3.71Å; Y258-K314 HydrophobicContact CE1-CD 3.91Å; Y258-K314 HydrophobicContact CE1-CG 4.46Å; Y258-K314 HydrophobicContact CE2-CD 3.58Å; Y258-K314 HydrophobicContact CE2-CG 4.09Å; Y258-K314 HydrophobicContact CG-CB 3.94Å; Y258-K314 HydrophobicContact CG-CD 3.97Å; Y258-K314 HydrophobicContact CG-CG 3.69Å
259	N	98.1	Very high	95	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	42.2	169.2	-46.4	-73.7	0	0	0	114.4	A255 E257 Q307 K343 V344	A255-N259 PolarHBondContact O-N 2.81Å; E257-N259 PolarHBondContact O-ND2 3.43Å; N259-Q307 HydrophobicContact CB-CB 4.04Å; N259-Q307 PolarHBondContact ND2-O 2.75Å; N259-K343 CarbonylContact O-C 3.57Å; N259-K343 WeakPolarHBondContact O-CA 3.32Å; N259-V344 PolarHBondContact O-N 3.09Å
260	F	97.3	Very high	94.9	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-120.7	159.4	165.9	53.6	-106.7	0	0	0	110.3	L250 E253 A255 Y258 K314 V344 F347	L250-F260 HydrophobicContact CB-CD2 4.39Å; L250-F260 HydrophobicContact CB-CE2 3.88Å; L250-F260 HydrophobicContact CB-CZ 4.26Å; L250-F260 HydrophobicContact CD2-CE1 4.13Å; L250-F260 HydrophobicContact CD2-CE2 4.36Å; L250-F260 HydrophobicContact CD2-CZ 4.07Å; E253-F260 HydrophobicContact CB-CZ 3.89Å; A255-F260 HydrophobicContact CB-CD2 3.9Å; A255-F260 HydrophobicContact CB-CE2 3.68Å; A255-F260 PolarHBondContact O-N 3.43Å; Y258-F260 HydrophobicContact CD2-CE1 4.21Å; Y258-F260 HydrophobicContact CD2-CZ 4.48Å; Y258-F260 HydrophobicContact CG-CE1 4.23Å; Y258-F260 PolarHBondContact O-N 3.39Å; F260-K314 HydrophobicContact CE1-CG 4.18Å; F260-V344 WeakPolarHBondContact CA-O 3.45Å; F260-F347 HydrophobicContact CB-CE2 4.21Å; F260-F347 HydrophobicContact CB-CZ 3.92Å
261	V	97.4	Very high	94.6	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.308	C	S	.	.			trans	-66.5	133.3	-177.6	68.4	0	0	0	0	112.3	S263 F277 E278 L280 V344 I345 F347	V261-S263 PolarHBondContact O-N 3.45Å; V261-F277 HydrophobicContact CG1-CD1 3.95Å; V261-F277 HydrophobicContact CG1-CE1 4.11Å; V261-F277 HydrophobicContact CG2-CB 3.98Å; V261-F277 HydrophobicContact CG2-CD1 3.93Å; V261-F277 HydrophobicContact CG2-CG 4.26Å; V261-E278 HydrophobicContact CG2-CG 3.78Å; V261-L280 HydrophobicContact CG2-CD1 4.13Å; V261-V344 PolarHBondContact N-O 3.32Å; V261-I345 HydrophobicContact CB-CG2 3.93Å; V261-I345 HydrophobicContact CG1-CB 4.35Å; V261-I345 HydrophobicContact CG1-CG2 4.2Å; V261-I345 HydrophobicContact CG2-CG2 4.3Å; V261-F347 HydrophobicContact CG1-CE2 4.28Å
262	R	96.6	Very high	94.6	Very high	127 Å²	127	55.6 Å²	55.6	48%	0.479	29%	0.287	S	S	.	.			trans	-79.4	113.7	174.5	-174.5	176.1	-175.5	163	0.9	110.4	A255 Y264 F277 E278	A255-R262 HydrophobicContact CB-CB 3.96Å; A255-R262 HydrophobicContact CB-CG 4.48Å; R262-Y264 HydrophobicContact CG-CD1 4.45Å; R262-Y264 HydrophobicContact CG-CE1 4.24Å; R262-F277 VanDerWaalsContact O-CA 3.32Å; R262-F277 WeakPolarHBondContact O-CA 3.31Å; R262-E278 HydrophobicContact CB-CG 4.29Å; R262-E278 WeakPolarHBondContact CB-OE1 3.25Å; R262-E278 PolarHBondContact N-OE1 2.82Å; R262-E278 PolarHBondContact O-N 3Å
263	S	95.6	Very high	94.5	Very high	24 Å²	24	52.3 Å²	52.3	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.8	161	54.1	0	0	0	0	110.5	V261 V276	V261-S263 PolarHBondContact O-N 3.45Å; S263-V276 CarbonylContact C-O 3.52Å; S263-V276 WeakPolarHBondContact CA-O 3.38Å
264	Y	94.1	Very high	94.5	Very high	102 Å²	102	49.8 Å²	49.8	40%	0.4	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-52.7	175	-65.5	-62	0	0	0	112.4	V225 R262 V276 E278	V225-Y264 HydrophobicContact CG1-CD2 4.16Å; V225-Y264 HydrophobicContact CG1-CE2 4Å; R262-Y264 HydrophobicContact CG-CD1 4.45Å; R262-Y264 HydrophobicContact CG-CE1 4.24Å; Y264-V276 HydrophobicContact CD2-CG1 4.16Å; Y264-V276 PolarHBondContact N-O 2.84Å; Y264-E278 HydrophobicContact CE2-CB 4.17Å
265	E	92.8	Very high	94.5	Very high	52 Å²	52	46.2 Å²	46.2	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.8	177	61.5	172.8	-149.6	0	0	112.1	S194 S196 Y199 V276	S194-E265 WeakPolarHBondContact CB-OE1 3.43Å; S194-E265 PolarHBondContact OG-OE1 3.01Å; S196-E265 PolarHBondContact OG-OE1 3.35Å; S196-E265 PolarHBondContact OG-OE2 3.06Å; Y199-E265 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E265 PolarHBondContact OH-OE1 3.22Å; E265-V276 HydrophobicContact CG-CB 4.21Å; E265-V276 HydrophobicContact CG-CG2 3.84Å; E265-V276 PolarHBondContact O-N 3.22Å
266	C	93.4	Very high	94.5	Very high	57 Å²	57	45.7 Å²	45.7	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	172.1	168	0	0	0	0	108.5	V244 C274 L275	V244-C266 HydrophobicContact CG2-CB 4.17Å; V244-C266 VanDerWaalsContact CG2-SG 3.53Å; C266-C274 WeakPolarHBondContact CA-O 3.41Å; C266-L275 HydrophobicContact CB-CD2 3.76Å; C266-L275 VanDerWaalsContact SG-CD2 3.57Å
267	F	94.1	Very high	94.6	Very high	18 Å²	18	43.6 Å²	43.6	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	169.1	177.9	67.4	-83.1	0	0	0	111.8	L192 C193 S194 Y199 H269 C274 V276	L192-F267 HydrophobicContact CB-CE2 4.35Å; L192-F267 HydrophobicContact CB-CZ 4.11Å; C193-F267 WeakPolarHBondContact O-CD2 3.49Å; C193-F267 WeakPolarHBondContact O-CE2 3.35Å; S194-F267 VanDerWaalsContact CB-CG 3.46Å; Y199-F267 HydrophobicContact CD2-CE1 4.16Å; Y199-F267 HydrophobicContact CD2-CZ 4.14Å; Y199-F267 HydrophobicContact CE2-CE1 4.08Å; Y199-F267 HydrophobicContact CE2-CZ 4.48Å; F267-H269 HydrophobicContact CD2-CB 4.29Å; F267-H269 HydrophobicContact CE2-CB 3.92Å; F267-C274 HydrophobicContact CD1-CB 3.95Å; F267-C274 HydrophobicContact CD2-CB 4.16Å; F267-C274 HydrophobicContact CE1-CB 3.68Å; F267-C274 HydrophobicContact CE2-CB 3.92Å; F267-C274 HydrophobicContact CG-CB 4.18Å; F267-C274 HydrophobicContact CZ-CB 3.67Å; F267-C274 PolarHBondContact N-O 3.03Å; F267-C274 PolarHBondContact O-N 2.97Å; F267-V276 HydrophobicContact CD1-CG2 4.03Å; F267-V276 HydrophobicContact CE1-CG2 3.57Å
268	Q	92.9	Very high	94.8	Very high	149 Å²	149	41.2 Å²	41.2	70%	0.696	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.4	170.7	-71.3	-171.5	55.3	0	0	110.8	H272	Q268-H272 CarbonylContact C-O 3.52Å; Q268-H272 VanDerWaalsContact CA-O 3.27Å; Q268-H272 WeakPolarHBondContact CA-O 3.29Å
269	H	92.8	Very high	94.8	Very high	21 Å²	21	41.1 Å²	41.1	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.4	174.1	-167.1	81.6	0	0	0	110	Y184 F267 G271 H272	Y184-H269 AromaticContact CE2-CD2 3.94Å; Y184-H269 PolarHBondContact OH-CD2 3.27Å; F267-H269 HydrophobicContact CD2-CB 4.29Å; F267-H269 HydrophobicContact CE2-CB 3.92Å; H269-G271 PolarHBondContact O-N 3.07Å; H269-G271 VanDerWaalsContact O-N 3.09Å; H269-H272 PolarHBondContact N-O 2.81Å; H269-H272 WeakPolarHBondContact O-CB 3.5Å; H269-H272 PolarHBondContact O-N 2.7Å
270	K	92.1	Very high	94.7	Very high	130 Å²	130	40.8 Å²	40.8	57%	0.565	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	33.7	-178.4	-56.3	176.5	-167.4	157.3	0	114.6	Y184 E190	Y184-K270 HydrophobicContact CE2-CB 4.44Å; Y184-K270 HydrophobicContact CE2-CD 4.07Å; Y184-K270 PolarHBondContact OH-NZ 2.69Å; E190-K270 IonicContact OE1-NZ 2.9Å; E190-K270 PolarHBondContact OE1-NZ 2.8Å; E190-K270 IonicContact OE2-NZ 2.78Å
271	G	89.5	Confident	94.6	Very high	38 Å²	38	46.8 Å²	46.8	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	-3.7	-177.7	0	0	0	0	0	115.5	H269	H269-G271 PolarHBondContact O-N 3.07Å; H269-G271 VanDerWaalsContact O-N 3.09Å
272	H	92.4	Very high	94.5	Very high	16 Å²	16	48.7 Å²	48.7	7%	0.074	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.1	173.4	-63.6	-107	0	0	0	110.7	G182 Y184 I229 L230 N232 Q268 H269	G182-H272 PolarHBondContact O-CE1 3.44Å; Y184-H272 HydrophobicContact CD2-CB 4.43Å; Y184-H272 AromaticContact CD2-CD2 3.57Å; Y184-H272 AromaticContact CD2-CG 3.81Å; Y184-H272 AromaticContact CD2-NE2 3.74Å; I229-H272 HydrophobicContact CG2-CB 3.8Å; L230-H272 WeakPolarHBondContact O-CB 3.45Å; L230-H272 PolarHBondContact O-ND1 3.06Å; N232-H272 PolarHBondContact N-ND1 2.8Å; Q268-H272 CarbonylContact C-O 3.52Å; Q268-H272 VanDerWaalsContact CA-O 3.27Å; Q268-H272 WeakPolarHBondContact CA-O 3.29Å; H269-H272 PolarHBondContact N-O 2.81Å; H269-H272 WeakPolarHBondContact O-CB 3.5Å; H269-H272 PolarHBondContact O-N 2.7Å
273	T	92.6	Very high	94.6	Very high	14 Å²	14	44 Å²	44	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.1	171	-61.3	0	0	0	0	109.3	L230 L275	L230-T273 HydrophobicContact CD1-CG2 4.21Å; L230-T273 PolarHBondContact N-O 2.89Å; T273-L275 HydrophobicContact CG2-CD2 4.1Å
274	C	95	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123	-178.4	-64.4	0	0	0	0	109.9	I227 K228 C266 F267	I227-C274 HydrophobicContact CG2-CB 4.01Å; K228-C274 WeakPolarHBondContact O-CA 3.14Å; C266-C274 WeakPolarHBondContact CA-O 3.41Å; F267-C274 HydrophobicContact CD1-CB 3.95Å; F267-C274 HydrophobicContact CD2-CB 4.16Å; F267-C274 HydrophobicContact CE1-CB 3.68Å; F267-C274 HydrophobicContact CE2-CB 3.92Å; F267-C274 HydrophobicContact CG-CB 4.18Å; F267-C274 HydrophobicContact CZ-CB 3.67Å; F267-C274 PolarHBondContact N-O 3.03Å; F267-C274 PolarHBondContact O-N 2.97Å
275	L	95.3	Very high	94.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.6	177.8	-51.8	177.9	0	0	0	109.1	I227 K228 E243 V244 L247 C266 T273 F277	I227-L275 CarbonylContact C-O 3.55Å; I227-L275 WeakPolarHBondContact CA-O 3.47Å; K228-L275 HydrophobicContact CB-CB 4.34Å; K228-L275 HydrophobicContact CD-CD1 4.46Å; K228-L275 PolarHBondContact N-O 2.7Å; K228-L275 PolarHBondContact O-N 3.06Å; E243-L275 HydrophobicContact CG-CD1 4Å; V244-L275 HydrophobicContact CG2-CD2 3.51Å; L247-L275 HydrophobicContact CD1-CD1 4.06Å; C266-L275 HydrophobicContact CB-CD2 3.76Å; C266-L275 VanDerWaalsContact SG-CD2 3.57Å; T273-L275 HydrophobicContact CG2-CD2 4.1Å; L275-F277 HydrophobicContact CB-CD2 4.42Å; L275-F277 HydrophobicContact CB-CE2 3.56Å; L275-F277 HydrophobicContact CB-CZ 3.84Å; L275-F277 HydrophobicContact CD1-CZ 4.29Å; L275-F277 WeakPolarHBondContact O-CD2 3.32Å
276	V	96.6	Very high	95.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.6	-177.7	-168.6	0	0	0	0	110	Y199 V225 I227 S263 Y264 E265 F267	Y199-V276 HydrophobicContact CE1-CG1 3.96Å; Y199-V276 HydrophobicContact CE2-CG2 4.15Å; V225-V276 HydrophobicContact CB-CG1 3.87Å; V225-V276 HydrophobicContact CG1-CG1 4.09Å; V225-V276 HydrophobicContact CG2-CG1 3.92Å; I227-V276 HydrophobicContact CD1-CG1 4.5Å; I227-V276 HydrophobicContact CD1-CG2 4.16Å; I227-V276 HydrophobicContact CG1-CG1 4.2Å; I227-V276 HydrophobicContact CG1-CG2 4.22Å; S263-V276 CarbonylContact C-O 3.52Å; S263-V276 WeakPolarHBondContact CA-O 3.38Å; Y264-V276 HydrophobicContact CD2-CG1 4.16Å; Y264-V276 PolarHBondContact N-O 2.84Å; E265-V276 HydrophobicContact CG-CB 4.21Å; E265-V276 HydrophobicContact CG-CG2 3.84Å; E265-V276 PolarHBondContact O-N 3.22Å; F267-V276 HydrophobicContact CD1-CG2 4.03Å; F267-V276 HydrophobicContact CE1-CG2 3.57Å
277	F	97.6	Very high	95.2	Very high	17 Å²	17	41 Å²	41	8%	0.075	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	163.5	-178.6	-59.4	-82.7	0	0	0	112.2	V225 A226 K228 L247 V261 R262 L275	V225-F277 WeakPolarHBondContact CA-O 3.45Å; V225-F277 VanDerWaalsContact CB-O 3.31Å; V225-F277 WeakPolarHBondContact CB-O 3.39Å; A226-F277 HydrophobicContact CB-CB 4.48Å; A226-F277 PolarHBondContact N-O 2.9Å; A226-F277 PolarHBondContact O-N 2.81Å; K228-F277 HydrophobicContact CB-CD2 4.47Å; K228-F277 HydrophobicContact CB-CE2 3.88Å; K228-F277 HydrophobicContact CD-CE2 4.38Å; L247-F277 HydrophobicContact CD1-CE1 3.82Å; L247-F277 HydrophobicContact CD1-CZ 3.76Å; L247-F277 HydrophobicContact CD2-CE1 3.92Å; V261-F277 HydrophobicContact CG1-CD1 3.95Å; V261-F277 HydrophobicContact CG1-CE1 4.11Å; V261-F277 HydrophobicContact CG2-CB 3.98Å; V261-F277 HydrophobicContact CG2-CD1 3.93Å; V261-F277 HydrophobicContact CG2-CG 4.26Å; R262-F277 VanDerWaalsContact O-CA 3.32Å; R262-F277 WeakPolarHBondContact O-CA 3.31Å; L275-F277 HydrophobicContact CB-CD2 4.42Å; L275-F277 HydrophobicContact CB-CE2 3.56Å; L275-F277 HydrophobicContact CB-CZ 3.84Å; L275-F277 HydrophobicContact CD1-CZ 4.29Å; L275-F277 WeakPolarHBondContact O-CD2 3.32Å
278	E	97.1	Very high	95.4	Very high	23 Å²	23	40.2 Å²	40.2	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	143.4	161.7	65.6	-176.1	121.4	0	0	111.4	V261 R262 Y264 L280 K343	V261-E278 HydrophobicContact CG2-CG 3.78Å; R262-E278 HydrophobicContact CB-CG 4.29Å; R262-E278 WeakPolarHBondContact CB-OE1 3.25Å; R262-E278 PolarHBondContact N-OE1 2.82Å; R262-E278 PolarHBondContact O-N 3Å; Y264-E278 HydrophobicContact CE2-CB 4.17Å; E278-L280 HydrophobicContact CG-CD2 4.09Å; E278-L280 HydrophobicContact CG-CG 4.23Å; E278-K343 VanDerWaalsContact OE1-CD 3.29Å; E278-K343 WeakPolarHBondContact OE1-CD 3.37Å; E278-K343 IonicContact OE1-NZ 2.8Å; E278-K343 PolarHBondContact OE1-NZ 3.33Å; E278-K343 IonicContact OE2-NZ 3.89Å; E278-K343 PolarHBondContact OE2-NZ 3.43Å
279	M	97.1	Very high	95.6	Very high	46 Å²	46	38 Å²	38	23%	0.227	18%	0.184	C	C	.	.			trans	-76.8	133.2	172.3	-174.4	69.5	-162.1	0	0	109.8	L205 K215 I224 A226	L205-M279 HydrophobicContact CD1-CE 3.76Å; L205-M279 HydrophobicContact CD1-SD 3.9Å; L205-M279 HydrophobicContact CD2-CE 4.02Å; K215-M279 HydrophobicContact CD-CE 4.43Å; K215-M279 HydrophobicContact CG-CE 4.24Å; K215-M279 HydrophobicContact CG-SD 4.02Å; I224-M279 HydrophobicContact CG2-CB 4.19Å; I224-M279 HydrophobicContact CG2-CG 4.01Å; I224-M279 HydrophobicContact CG2-SD 4.39Å; I224-M279 WeakPolarHBondContact O-CB 3.01Å; A226-M279 HydrophobicContact CB-SD 4.29Å
280	L	97.1	Very high	95.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	21%	0.208	C	C	.	.			trans	-126.7	149.8	176.5	-58.5	175.6	0	0	0	109.2	V261 E278 M331 V333 K343 I345	V261-L280 HydrophobicContact CG2-CD1 4.13Å; E278-L280 HydrophobicContact CG-CD2 4.09Å; E278-L280 HydrophobicContact CG-CG 4.23Å; L280-M331 HydrophobicContact CB-CB 3.99Å; L280-M331 HydrophobicContact CB-CE 3.79Å; L280-M331 HydrophobicContact CB-SD 3.97Å; L280-M331 HydrophobicContact CD1-CB 3.86Å; L280-M331 HydrophobicContact CD1-SD 4.37Å; L280-M331 WeakPolarHBondContact O-CE 2.75Å; L280-V333 HydrophobicContact CD2-CB 4.36Å; L280-V333 HydrophobicContact CD2-CG1 4.23Å; L280-V333 HydrophobicContact CD2-CG2 4.15Å; L280-K343 HydrophobicContact CD1-CB 4.09Å; L280-K343 HydrophobicContact CD2-CD 4.33Å; L280-I345 HydrophobicContact CD1-CG2 3.82Å
281	E	95.2	Very high	95.7	Very high	129 Å²	129	38.9 Å²	38.9	60%	0.603	19%	0.194	S	C	*	.			trans	-81.7	-53.1	-166.9	-75	-69.1	141.8	0	0	114.4	L332 V333 P335	E281-L332 PolarHBondContact N-O 2.86Å; E281-V333 WeakPolarHBondContact CG-O 2.56Å; E281-P335 HydrophobicContact CB-CG 4.29Å
282	Q	95.6	Very high	96	Very high	48 Å²	48	46 Å²	46	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	130.5	-166.3	-179	162.8	102.1	0	0	113.6	D286 F287 H290 M331 L332 P335	Q282-D286 HydrophobicContact CG-CB 4.26Å; Q282-F287 HydrophobicContact CG-CB 4.41Å; Q282-H290 PolarHBondContact NE2-CE1 2.82Å; Q282-H290 PolarHBondContact NE2-ND1 2.76Å; Q282-M331 CarbonylContact O-C 3.27Å; Q282-M331 WeakPolarHBondContact O-CA 3.36Å; Q282-L332 WeakPolarHBondContact O-CB 2.91Å; Q282-L332 PolarHBondContact O-N 2.83Å; Q282-P335 HydrophobicContact CB-CG 4.48Å
283	N	97.8	Very high	96.2	Very high	28 Å²	28	48.1 Å²	48.1	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	158.9	172.5	70.7	73.8	0	0	0	112.5	Y285 D286 F287 E328 I330 M331	N283-Y285 VanDerWaalsContact C-N 3.32Å; N283-Y285 PolarHBondContact O-N 2.75Å; N283-Y285 WeakPolarHBondContact OD1-CA 3.23Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.4Å; N283-Y285 PolarHBondContact OD1-N 3.33Å; N283-Y285 VanDerWaalsContact OD1-N 3.08Å; N283-D286 PolarHBondContact ND2-OD2 2.9Å; N283-D286 PolarHBondContact O-N 2.74Å; N283-D286 PolarHBondContact OD1-N 3.27Å; N283-F287 PolarHBondContact O-N 3.02Å; N283-E328 VanDerWaalsContact CB-O 3.27Å; N283-E328 WeakPolarHBondContact CB-O 3.33Å; N283-I330 WeakPolarHBondContact CA-O 3.49Å; N283-M331 HydrophobicContact CB-CG 4.03Å
284	L	98.4	Very high	96.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-24.1	-175.9	-66.3	-178.3	0	0	0	114.1	L288 I304 P327 I330 L332 V342 L394	L284-L288 PolarHBondContact O-N 2.81Å; L284-I304 HydrophobicContact CD1-CD1 4.47Å; L284-I304 HydrophobicContact CD1-CG2 3.73Å; L284-I304 HydrophobicContact CD2-CD1 4.06Å; L284-P327 HydrophobicContact CB-CB 3.99Å; L284-P327 WeakPolarHBondContact CB-O 3.44Å; L284-P327 PolarHBondContact N-O 3.02Å; L284-I330 HydrophobicContact CD1-CB 3.87Å; L284-I330 HydrophobicContact CD1-CD1 4.35Å; L284-I330 HydrophobicContact CD1-CG2 3.56Å; L284-I330 HydrophobicContact CG-CB 4.19Å; L284-I330 HydrophobicContact CG-CG2 4.03Å; L284-I330 PolarHBondContact N-O 2.47Å; L284-L332 HydrophobicContact CD2-CD1 4.27Å; L284-L332 HydrophobicContact CD2-CD2 4.33Å; L284-L332 HydrophobicContact CD2-CG 4.07Å; L284-V342 HydrophobicContact CD2-CG1 4.41Å; L284-L394 HydrophobicContact CB-CD2 4.4Å; L284-L394 HydrophobicContact CD1-CD1 4.25Å; L284-L394 HydrophobicContact CD1-CD2 4.37Å
285	Y	97.7	Very high	96.5	Very high	86 Å²	86	52.1 Å²	52.1	34%	0.337	25%	0.251	S	S	.	.	H	α-helix	trans	-67.6	-48.4	172.9	175.1	-99.8	0	0	0	111.1	N283 F287 L288 K289 F293 E328	N283-Y285 VanDerWaalsContact C-N 3.32Å; N283-Y285 PolarHBondContact O-N 2.75Å; N283-Y285 WeakPolarHBondContact OD1-CA 3.23Å; N283-Y285 WeakPolarHBondContact OD1-CB 3.4Å; N283-Y285 PolarHBondContact OD1-N 3.33Å; N283-Y285 VanDerWaalsContact OD1-N 3.08Å; Y285-F287 VanDerWaalsContact C-N 3.3Å; Y285-F287 PolarHBondContact O-N 2.81Å; Y285-L288 WeakPolarHBondContact O-CB 3.41Å; Y285-L288 PolarHBondContact O-N 3.47Å; Y285-K289 HydrophobicContact CE1-CD 3.97Å; Y285-K289 WeakPolarHBondContact O-CB 3.46Å; Y285-K289 PolarHBondContact O-N 2.66Å; Y285-F293 HydrophobicContact CE2-CE1 4.06Å; Y285-F293 HydrophobicContact CE2-CZ 4.36Å; Y285-E328 HydrophobicContact CG-CG 4.39Å
286	D	96.9	Very high	96.5	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.214	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-30.8	175.3	-77.2	-57.4	0	0	0	111.8	Q282 N283 K289 H290	Q282-D286 HydrophobicContact CG-CB 4.26Å; N283-D286 PolarHBondContact ND2-OD2 2.9Å; N283-D286 PolarHBondContact O-N 2.74Å; N283-D286 PolarHBondContact OD1-N 3.27Å; D286-K289 PolarHBondContact O-N 3.26Å; D286-K289 IonicContact OD1-NZ 3.4Å; D286-K289 PolarHBondContact OD1-NZ 3.01Å; D286-H290 WeakPolarHBondContact O-CB 3.34Å; D286-H290 PolarHBondContact O-N 3.17Å; D286-H290 PolarHBondContact O-ND1 3.19Å
287	F	96.6	Very high	96.5	Very high	47 Å²	47	54.8 Å²	54.8	21%	0.206	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-47.4	170.2	-175.8	-95.7	0	0	0	112.2	Q282 N283 Y285 H290 S291 L296 L332 Y340	Q282-F287 HydrophobicContact CG-CB 4.41Å; N283-F287 PolarHBondContact O-N 3.02Å; Y285-F287 VanDerWaalsContact C-N 3.3Å; Y285-F287 PolarHBondContact O-N 2.81Å; F287-H290 PolarHBondContact O-N 3.1Å; F287-S291 PolarHBondContact O-N 3.02Å; F287-L296 HydrophobicContact CE1-CD1 4.18Å; F287-L296 HydrophobicContact CE1-CD2 4.02Å; F287-L296 HydrophobicContact CE1-CG 4.31Å; F287-L332 HydrophobicContact CB-CD1 4.08Å; F287-L332 HydrophobicContact CD2-CD1 3.48Å; F287-L332 VanDerWaalsContact CD2-CD1 3.48Å; F287-L332 HydrophobicContact CE2-CD1 4.11Å; F287-L332 HydrophobicContact CG-CD1 3.88Å; F287-Y340 HydrophobicContact CE1-CE1 4.44Å; F287-Y340 HydrophobicContact CZ-CE1 4Å
288	L	96.9	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-43	172.7	-81.2	173.3	0	0	0	112	L284 Y285 H290 S291 K292 F293 L296 E393 L394	L284-L288 PolarHBondContact O-N 2.81Å; Y285-L288 WeakPolarHBondContact O-CB 3.41Å; Y285-L288 PolarHBondContact O-N 3.47Å; L288-H290 PolarHBondContact O-N 3.39Å; L288-S291 CarbonylContact O-C 3.54Å; L288-S291 PolarHBondContact O-N 3.4Å; L288-S291 VanDerWaalsContact O-N 3.16Å; L288-S291 PolarHBondContact O-OG 3.41Å; L288-K292 PolarHBondContact O-N 2.67Å; L288-F293 HydrophobicContact CB-CD1 4.22Å; L288-F293 HydrophobicContact CB-CE1 4.48Å; L288-F293 WeakPolarHBondContact O-CA 3.13Å; L288-F293 PolarHBondContact O-N 2.71Å; L288-L296 HydrophobicContact CD2-CD1 3.56Å; L288-E393 HydrophobicContact CD1-CG 3.97Å; L288-L394 HydrophobicContact CD1-CD2 4.08Å; L288-L394 HydrophobicContact CD2-CD2 4.49Å; L288-L394 HydrophobicContact CG-CD2 4.2Å
289	K	96.8	Very high	96.5	Very high	102 Å²	102	56.1 Å²	56.1	44%	0.443	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-40.4	179.3	-177.7	172.3	143.4	-151.6	0	112.1	Y285 D286 K292 F293	Y285-K289 HydrophobicContact CE1-CD 3.97Å; Y285-K289 WeakPolarHBondContact O-CB 3.46Å; Y285-K289 PolarHBondContact O-N 2.66Å; D286-K289 PolarHBondContact O-N 3.26Å; D286-K289 IonicContact OD1-NZ 3.4Å; D286-K289 PolarHBondContact OD1-NZ 3.01Å; K289-K292 WeakPolarHBondContact O-CA 3.33Å; K289-K292 PolarHBondContact O-N 2.86Å; K289-F293 HydrophobicContact CB-CE1 4.19Å; K289-F293 HydrophobicContact CB-CE2 4.34Å; K289-F293 HydrophobicContact CB-CZ 3.8Å; K289-F293 HydrophobicContact CG-CE2 4.26Å; K289-F293 HydrophobicContact CG-CZ 3.98Å
290	H	95.1	Very high	96.5	Very high	130 Å²	130	55.6 Å²	55.6	60%	0.602	27%	0.269	S	S	*	.	H	α-helix	trans	-67.3	-33.3	172.3	-71.2	109.8	0	0	0	112.7	Q282 D286 F287 L288 K292	Q282-H290 PolarHBondContact NE2-CE1 2.82Å; Q282-H290 PolarHBondContact NE2-ND1 2.76Å; D286-H290 WeakPolarHBondContact O-CB 3.34Å; D286-H290 PolarHBondContact O-N 3.17Å; D286-H290 PolarHBondContact O-ND1 3.19Å; F287-H290 PolarHBondContact O-N 3.1Å; L288-H290 PolarHBondContact O-N 3.39Å; H290-K292 PolarHBondContact O-N 3.43Å
291	S	92.9	Very high	96.6	Very high	40 Å²	40	55.2 Å²	55.2	28%	0.28	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	4.9	169.7	87.7	0	0	0	0	113.8	F287 L288 F293 S294	F287-S291 PolarHBondContact O-N 3.02Å; L288-S291 CarbonylContact O-C 3.54Å; L288-S291 PolarHBondContact O-N 3.4Å; L288-S291 VanDerWaalsContact O-N 3.16Å; L288-S291 PolarHBondContact O-OG 3.41Å; S291-F293 VanDerWaalsContact C-N 3.3Å; S291-F293 PolarHBondContact O-N 3.24Å; S291-S294 WeakPolarHBondContact O-CB 3.3Å; S291-S294 PolarHBondContact O-N 3.02Å; S291-S294 PolarHBondContact OG-N 2.95Å; S291-S294 PolarHBondContact OG-O 2.96Å
292	K	96.4	Very high	96.7	Very high	187 Å²	187	49 Å²	49	81%	0.813	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	37.3	-174.2	-54.8	179.2	-178	176	0	113.1	L288 K289 H290 S294	L288-K292 PolarHBondContact O-N 2.67Å; K289-K292 WeakPolarHBondContact O-CA 3.33Å; K289-K292 PolarHBondContact O-N 2.86Å; H290-K292 PolarHBondContact O-N 3.43Å; K292-S294 PolarHBondContact O-N 2.9Å
293	F	96.7	Very high	96.9	Very high	61 Å²	61	46.8 Å²	46.8	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	58.4	38.1	-175	-59.7	-74.1	0	0	0	112.2	Y285 L288 K289 S291 G397	Y285-F293 HydrophobicContact CE2-CE1 4.06Å; Y285-F293 HydrophobicContact CE2-CZ 4.36Å; L288-F293 HydrophobicContact CB-CD1 4.22Å; L288-F293 HydrophobicContact CB-CE1 4.48Å; L288-F293 WeakPolarHBondContact O-CA 3.13Å; L288-F293 PolarHBondContact O-N 2.71Å; K289-F293 HydrophobicContact CB-CE1 4.19Å; K289-F293 HydrophobicContact CB-CE2 4.34Å; K289-F293 HydrophobicContact CB-CZ 3.8Å; K289-F293 HydrophobicContact CG-CE2 4.26Å; K289-F293 HydrophobicContact CG-CZ 3.98Å; S291-F293 VanDerWaalsContact C-N 3.3Å; S291-F293 PolarHBondContact O-N 3.24Å; F293-G397 WeakPolarHBondContact CB-O 3.33Å
294	S	96.3	Very high	96.9	Very high	59 Å²	59	45.6 Å²	45.6	41%	0.413	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-76.6	133.8	172.8	178.9	0	0	0	0	110.4	S291 K292	S291-S294 WeakPolarHBondContact O-CB 3.3Å; S291-S294 PolarHBondContact O-N 3.02Å; S291-S294 PolarHBondContact OG-N 2.95Å; S291-S294 PolarHBondContact OG-O 2.96Å; K292-S294 PolarHBondContact O-N 2.9Å
295	P	96.5	Very high	96.9	Very high	39 Å²	39	45.6 Å²	45.6	25%	0.253	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-46.6	136.5	167.1	-30.4	36.5	0	0	0	113.4	F395 N480	P295-F395 WeakPolarHBondContact CB-O 3.27Å; P295-N480 HydrophobicContact CG-CB 4.32Å; P295-N480 WeakPolarHBondContact CG-ND2 3.36Å
296	L	96.2	Very high	97	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-87	133.1	168.2	-85.2	65.8	0	0	0	110.3	F287 L288 H300 I301 I304 L394	F287-L296 HydrophobicContact CE1-CD1 4.18Å; F287-L296 HydrophobicContact CE1-CD2 4.02Å; F287-L296 HydrophobicContact CE1-CG 4.31Å; L288-L296 HydrophobicContact CD2-CD1 3.56Å; L296-H300 HydrophobicContact CD2-CB 4.37Å; L296-I301 HydrophobicContact CB-CD1 3.99Å; L296-I301 HydrophobicContact CB-CG1 3.74Å; L296-I301 HydrophobicContact CD2-CG1 4.35Å; L296-I301 WeakPolarHBondContact O-CD1 3.49Å; L296-I304 HydrophobicContact CD2-CD1 4.43Å; L296-L394 WeakPolarHBondContact CB-O 3.43Å; L296-L394 HydrophobicContact CD2-CB 4.46Å; L296-L394 HydrophobicContact CD2-CD2 4.11Å; L296-L394 PolarHBondContact N-O 3.35Å
297	P	96.1	Very high	97.1	Very high	48 Å²	48	41.3 Å²	41.3	31%	0.312	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-54.5	142.7	164.5	-27.5	35.2	0	0	0	112.4	R299 H300 I301	P297-R299 HydrophobicContact CB-CG 3.84Å; P297-R299 PolarHBondContact O-N 2.95Å; P297-R299 VanDerWaalsContact O-N 3.07Å; P297-H300 WeakPolarHBondContact O-CB 3.46Å; P297-H300 PolarHBondContact O-N 3.09Å; P297-I301 PolarHBondContact O-N 3.17Å
298	L	97.4	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.4	-34.7	-179.7	-68.8	178.3	0	0	0	113.3	H300 I301 R302 F395 D496 R497 F500 F526	L298-H300 PolarHBondContact O-N 3.41Å; L298-H300 VanDerWaalsContact O-N 3.15Å; L298-I301 HydrophobicContact CD2-CD1 4.48Å; L298-I301 PolarHBondContact O-N 2.67Å; L298-I301 VanDerWaalsContact O-N 3.11Å; L298-R302 PolarHBondContact O-N 2.89Å; L298-F395 HydrophobicContact CD2-CD2 3.59Å; L298-F395 HydrophobicContact CD2-CE2 3.91Å; L298-F395 HydrophobicContact CG-CD2 4.22Å; L298-F395 HydrophobicContact CG-CE2 4.17Å; L298-D496 HydrophobicContact CD1-CB 4.08Å; L298-R497 HydrophobicContact CD1-CB 4.34Å; L298-R497 HydrophobicContact CD1-CG 3.61Å; L298-F500 HydrophobicContact CD1-CB 4.07Å; L298-F500 HydrophobicContact CD1-CG 4.43Å; L298-F500 HydrophobicContact CD2-CB 3.95Å; L298-F500 HydrophobicContact CD2-CD1 3.69Å; L298-F500 HydrophobicContact CD2-CD2 3.57Å; L298-F500 HydrophobicContact CD2-CE1 4.04Å; L298-F500 HydrophobicContact CD2-CE2 3.92Å; L298-F500 HydrophobicContact CD2-CG 3.44Å; L298-F500 VanDerWaalsContact CD2-CG 3.44Å; L298-F500 HydrophobicContact CD2-CZ 4.15Å; L298-F526 HydrophobicContact CB-CE2 4.17Å; L298-F526 HydrophobicContact CB-CZ 4.32Å; L298-F526 HydrophobicContact CD1-CE2 4.31Å; L298-F526 HydrophobicContact CD2-CE2 4.28Å; L298-F526 HydrophobicContact CD2-CZ 4.27Å; L298-F526 HydrophobicContact CG-CE2 4.5Å
299	R	96.2	Very high	97.3	Very high	69 Å²	69	39.1 Å²	39.1	26%	0.26	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-14.9	174.3	63.9	170.5	176.4	-97.6	2.7	115.6	P297 H540 S543 C544 N547	P297-R299 HydrophobicContact CB-CG 3.84Å; P297-R299 PolarHBondContact O-N 2.95Å; P297-R299 VanDerWaalsContact O-N 3.07Å; R299-H540 PolarHBondContact NH1-ND1 3.12Å; R299-S543 VanDerWaalsContact CD-OG 3.28Å; R299-S543 WeakPolarHBondContact CD-OG 3.19Å; R299-C544 HydrophobicContact CB-CB 4.48Å; R299-C544 VanDerWaalsContact CB-SG 3.55Å; R299-N547 VanDerWaalsContact O-CB 3.28Å; R299-N547 WeakPolarHBondContact O-CB 3.42Å; R299-N547 PolarHBondContact O-ND2 3.06Å
300	H	97.5	Very high	97.4	Very high	34 Å²	34	34.9 Å²	34.9	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-100.1	-30.7	172.3	-55.8	155.2	0	0	0	111.6	L296 P297 L298 P303 Y340 N547	L296-H300 HydrophobicContact CD2-CB 4.37Å; P297-H300 WeakPolarHBondContact O-CB 3.46Å; P297-H300 PolarHBondContact O-N 3.09Å; L298-H300 PolarHBondContact O-N 3.41Å; L298-H300 VanDerWaalsContact O-N 3.15Å; H300-P303 WeakPolarHBondContact O-CD 3.48Å; H300-P303 WeakPolarHBondContact O-CG 3.37Å; H300-Y340 HydrophobicContact CB-CD1 4.22Å; H300-Y340 HydrophobicContact CB-CD2 4.48Å; H300-Y340 HydrophobicContact CB-CE1 3.78Å; H300-Y340 HydrophobicContact CB-CE2 4.06Å; H300-Y340 AromaticContact CD2-CE2 3.41Å; H300-Y340 VanDerWaalsContact CD2-CE2 3.41Å; H300-Y340 WeakPolarHBondContact CD2-CE2 3.45Å; H300-Y340 AromaticContact CD2-CZ 3.56Å; H300-Y340 PolarHBondContact CD2-OH 3.11Å; H300-Y340 PolarHBondContact CE1-OH 2.87Å; H300-Y340 AromaticContact CG-CE2 3.75Å; H300-Y340 AromaticContact CG-CZ 3.44Å; H300-Y340 VanDerWaalsContact CG-CZ 3.44Å; H300-Y340 VanDerWaalsContact CG-OH 3.31Å; H300-Y340 AromaticContact ND1-CZ 3.85Å; H300-Y340 PolarHBondContact ND1-OH 3.19Å; H300-N547 PolarHBondContact CD2-ND2 3.14Å; H300-N547 VanDerWaalsContact CD2-ND2 3.28Å
301	I	98.7	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-38.1	177.1	-57.9	178.2	0	0	0	111.2	L296 P297 L298 I304 L305 I391 L394 F395 F500	L296-I301 HydrophobicContact CB-CD1 3.99Å; L296-I301 HydrophobicContact CB-CG1 3.74Å; L296-I301 HydrophobicContact CD2-CG1 4.35Å; L296-I301 WeakPolarHBondContact O-CD1 3.49Å; P297-I301 PolarHBondContact O-N 3.17Å; L298-I301 HydrophobicContact CD2-CD1 4.48Å; L298-I301 PolarHBondContact O-N 2.67Å; L298-I301 VanDerWaalsContact O-N 3.11Å; I301-I304 PolarHBondContact O-N 2.85Å; I301-L305 WeakPolarHBondContact O-CB 3.49Å; I301-L305 PolarHBondContact O-N 3.06Å; I301-I391 HydrophobicContact CG2-CB 3.93Å; I301-I391 HydrophobicContact CG2-CG2 4.02Å; I301-L394 HydrophobicContact CD1-CB 3.8Å; I301-L394 HydrophobicContact CG1-CB 3.93Å; I301-L394 HydrophobicContact CG2-CD1 4.36Å; I301-F395 HydrophobicContact CD1-CB 3.71Å; I301-F395 HydrophobicContact CD1-CD2 4.46Å; I301-F500 HydrophobicContact CG2-CE2 4.41Å
302	R	98.6	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.2	-49.7	-178.4	-166.8	-171.1	-63.5	103.4	6.3	114.5	L298 L305 Q306 D496 F526 C544 M548	L298-R302 PolarHBondContact O-N 2.89Å; R302-L305 PolarHBondContact O-N 3.38Å; R302-Q306 WeakPolarHBondContact O-CB 3.49Å; R302-Q306 PolarHBondContact O-N 2.85Å; R302-D496 IonicContact CZ-OD1 3.24Å; R302-D496 IonicContact CZ-OD2 3.67Å; R302-D496 IonicContact NH2-OD1 2.96Å; R302-D496 PolarHBondContact NH2-OD1 3.46Å; R302-D496 IonicContact NH2-OD2 2.74Å; R302-D496 PolarHBondContact NH2-OD2 2.84Å; R302-F526 HydrophobicContact CB-CE1 3.95Å; R302-F526 HydrophobicContact CB-CZ 3.95Å; R302-F526 WeakPolarHBondContact CD-O 3.49Å; R302-F526 HydrophobicContact CG-CD1 4.35Å; R302-F526 HydrophobicContact CG-CE1 3.94Å; R302-F526 HydrophobicContact CG-CZ 4.26Å; R302-F526 PolarHBondContact NE-O 3.48Å; R302-C544 VanDerWaalsContact NH1-CB 3.31Å; R302-C544 PolarHBondContact NH1-SG 3.46Å; R302-M548 HydrophobicContact CB-SD 4.02Å; R302-M548 HydrophobicContact CG-CE 4.16Å; R302-M548 HydrophobicContact CG-SD 3.58Å; R302-M548 VanDerWaalsContact CG-SD 3.58Å
303	P	98.5	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-37.5	178.1	23.8	-34	0	0	0	112.9	H300 Q306 Q307 M548 I550 C551	H300-P303 WeakPolarHBondContact O-CD 3.48Å; H300-P303 WeakPolarHBondContact O-CG 3.37Å; P303-Q306 PolarHBondContact O-N 3.46Å; P303-Q307 WeakPolarHBondContact O-CG 3.19Å; P303-Q307 PolarHBondContact O-N 2.99Å; P303-Q307 VanDerWaalsContact O-N 3.11Å; P303-Q307 PolarHBondContact O-NE2 2.88Å; P303-M548 HydrophobicContact CB-SD 3.96Å; P303-I550 HydrophobicContact CB-CG2 3.79Å; P303-C551 VanDerWaalsContact CA-SG 3.52Å; P303-C551 VanDerWaalsContact CB-SG 3.58Å
304	I	98.8	Very high	98	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-50	174	-62.6	172.7	0	0	0	109.7	L284 L296 I301 Q306 Q307 V308 Y340 V342 L394	L284-I304 HydrophobicContact CD1-CD1 4.47Å; L284-I304 HydrophobicContact CD1-CG2 3.73Å; L284-I304 HydrophobicContact CD2-CD1 4.06Å; L296-I304 HydrophobicContact CD2-CD1 4.43Å; I301-I304 PolarHBondContact O-N 2.85Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 3.45Å; I304-Q307 PolarHBondContact O-N 2.74Å; I304-V308 WeakPolarHBondContact O-CG2 3.47Å; I304-V308 PolarHBondContact O-N 2.93Å; I304-Y340 HydrophobicContact CD1-CD1 4.19Å; I304-V342 HydrophobicContact CG1-CG1 4.24Å; I304-V342 HydrophobicContact CG2-CG1 4.39Å; I304-V342 HydrophobicContact CG2-CG2 4.26Å; I304-L394 HydrophobicContact CD1-CD1 4.41Å; I304-L394 HydrophobicContact CG2-CD1 4.32Å
305	L	98.9	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-43.2	178.2	171.6	58.2	0	0	0	112.2	I301 R302 Q307 A309 L387 I391 L503 M507 T521 F526 V527	I301-L305 WeakPolarHBondContact O-CB 3.49Å; I301-L305 PolarHBondContact O-N 3.06Å; R302-L305 PolarHBondContact O-N 3.38Å; L305-Q307 PolarHBondContact O-N 2.79Å; L305-A309 WeakPolarHBondContact O-CB 3.36Å; L305-A309 PolarHBondContact O-N 3.15Å; L305-L387 HydrophobicContact CD1-CD1 3.96Å; L305-L387 HydrophobicContact CD1-CD2 3.77Å; L305-L387 HydrophobicContact CD1-CG 3.87Å; L305-I391 HydrophobicContact CB-CG2 4.14Å; L305-I391 HydrophobicContact CD1-CD1 4.41Å; L305-I391 HydrophobicContact CD1-CG2 4.03Å; L305-I391 HydrophobicContact CD2-CD1 4.01Å; L305-I391 HydrophobicContact CD2-CG2 4.5Å; L305-I391 HydrophobicContact CG-CG2 4.43Å; L305-L503 HydrophobicContact CD2-CD2 3.74Å; L305-M507 HydrophobicContact CD1-CE 3.58Å; L305-M507 HydrophobicContact CD2-CE 4.28Å; L305-T521 HydrophobicContact CD1-CG2 4.22Å; L305-F526 HydrophobicContact CD2-CD1 3.9Å; L305-F526 HydrophobicContact CD2-CE1 3.79Å; L305-V527 HydrophobicContact CD2-CG2 4.09Å; L305-V527 HydrophobicContact CG-CG2 4.43Å
306	Q	98.8	Very high	98.2	Very high	35 Å²	35	18.6 Å²	18.6	16%	0.164	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-44.1	179.3	-171.8	-73.9	-28.6	0	0	111.4	R302 P303 I304 T310 L522 V527 M548 C551	R302-Q306 WeakPolarHBondContact O-CB 3.49Å; R302-Q306 PolarHBondContact O-N 2.85Å; P303-Q306 PolarHBondContact O-N 3.46Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 3.45Å; Q306-T310 PolarHBondContact NE2-OG1 3.12Å; Q306-T310 VanDerWaalsContact NE2-OG1 3.07Å; Q306-T310 WeakPolarHBondContact O-CB 3.3Å; Q306-T310 PolarHBondContact O-N 2.8Å; Q306-T310 PolarHBondContact O-OG1 2.92Å; Q306-L522 HydrophobicContact CG-CD2 3.98Å; Q306-L522 WeakPolarHBondContact O-CD2 3.41Å; Q306-V527 HydrophobicContact CB-CG1 4.03Å; Q306-V527 HydrophobicContact CG-CG1 3.87Å; Q306-M548 HydrophobicContact CB-CE 4.02Å; Q306-M548 HydrophobicContact CG-CE 4.05Å; Q306-C551 HydrophobicContact CG-CB 4.21Å; Q306-C551 VanDerWaalsContact OE1-CB 3.32Å; Q306-C551 PolarHBondContact OE1-SG 3.07Å
307	Q	98.8	Very high	98.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-67.3	-46.7	-179.8	-73.9	164.3	91.1	0	0	111.5	N259 P303 I304 L305 T310 A311 Y340 R341 V342	N259-Q307 HydrophobicContact CB-CB 4.04Å; N259-Q307 PolarHBondContact ND2-O 2.75Å; P303-Q307 WeakPolarHBondContact O-CG 3.19Å; P303-Q307 PolarHBondContact O-N 2.99Å; P303-Q307 VanDerWaalsContact O-N 3.11Å; P303-Q307 PolarHBondContact O-NE2 2.88Å; I304-Q307 PolarHBondContact O-N 2.74Å; L305-Q307 PolarHBondContact O-N 2.79Å; Q307-T310 WeakPolarHBondContact O-CA 3.41Å; Q307-T310 WeakPolarHBondContact O-CB 3.45Å; Q307-T310 PolarHBondContact O-N 2.96Å; Q307-T310 VanDerWaalsContact O-N 3.12Å; Q307-A311 PolarHBondContact O-N 3.28Å; Q307-Y340 PolarHBondContact NE2-O 3.18Å; Q307-R341 VanDerWaalsContact OE1-CA 3.24Å; Q307-V342 HydrophobicContact CB-CG2 3.67Å; Q307-V342 HydrophobicContact CG-CG2 4.42Å
308	V	98.9	Very high	98.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-37.3	178.7	-178.7	0	0	0	0	111.6	I304 T310 A311 L312 L325 I330 V342 V344 L387	I304-V308 WeakPolarHBondContact O-CG2 3.47Å; I304-V308 PolarHBondContact O-N 2.93Å; V308-T310 VanDerWaalsContact C-N 3.26Å; V308-T310 PolarHBondContact O-N 3.25Å; V308-A311 WeakPolarHBondContact O-CB 3.27Å; V308-A311 PolarHBondContact O-N 2.85Å; V308-L312 WeakPolarHBondContact O-CG 3.27Å; V308-L312 PolarHBondContact O-N 3.49Å; V308-L325 HydrophobicContact CG1-CD1 4.27Å; V308-L325 HydrophobicContact CG1-CD2 4.14Å; V308-I330 HydrophobicContact CG1-CD1 4.41Å; V308-I330 HydrophobicContact CG2-CD1 4.14Å; V308-I330 HydrophobicContact CG2-CG1 4.3Å; V308-I330 HydrophobicContact CG2-CG2 3.91Å; V308-V342 HydrophobicContact CG2-CG2 4.12Å; V308-V344 HydrophobicContact CG1-CG2 4.09Å; V308-V344 HydrophobicContact CG2-CG2 4.31Å; V308-L387 HydrophobicContact CB-CD1 4.1Å; V308-L387 HydrophobicContact CG1-CD1 3.74Å; V308-L387 HydrophobicContact CG1-CD2 4.31Å
309	A	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-30.3	171.6	0	0	0	0	0	112.3	L305 M313 L387 P518 T521 L522	L305-A309 WeakPolarHBondContact O-CB 3.36Å; L305-A309 PolarHBondContact O-N 3.15Å; A309-M313 VanDerWaalsContact O-CB 3.32Å; A309-M313 WeakPolarHBondContact O-CB 3.19Å; A309-M313 PolarHBondContact O-N 2.92Å; A309-L387 HydrophobicContact CB-CD2 4.36Å; A309-P518 WeakPolarHBondContact O-CB 3.33Å; A309-T521 HydrophobicContact CB-CG2 3.81Å; A309-L522 HydrophobicContact CB-CD2 3.9Å; A309-L522 HydrophobicContact CB-CG 4.13Å
310	T	98.8	Very high	98.5	Very high	13 Å²	13	18.1 Å²	18.1	8%	0.08	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-40.2	171.7	-56.8	0	0	0	0	111.3	Y258 Q306 Q307 V308 M313 K314	Y258-T310 HydrophobicContact CD1-CG2 4.3Å; Q306-T310 PolarHBondContact NE2-OG1 3.12Å; Q306-T310 VanDerWaalsContact NE2-OG1 3.07Å; Q306-T310 WeakPolarHBondContact O-CB 3.3Å; Q306-T310 PolarHBondContact O-N 2.8Å; Q306-T310 PolarHBondContact O-OG1 2.92Å; Q307-T310 WeakPolarHBondContact O-CA 3.41Å; Q307-T310 WeakPolarHBondContact O-CB 3.45Å; Q307-T310 PolarHBondContact O-N 2.96Å; Q307-T310 VanDerWaalsContact O-N 3.12Å; V308-T310 VanDerWaalsContact C-N 3.26Å; V308-T310 PolarHBondContact O-N 3.25Å; T310-M313 HydrophobicContact CG2-CE 4.38Å; T310-M313 WeakPolarHBondContact O-CB 3.08Å; T310-M313 PolarHBondContact O-N 3.14Å; T310-K314 PolarHBondContact O-N 2.96Å; T310-K314 VanDerWaalsContact O-N 3.13Å
311	A	98.8	Very high	98.5	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-61.4	-51.8	172.6	0	0	0	0	0	111.7	Y258 Q307 V308 M313 K314 L315 V344	Y258-A311 WeakPolarHBondContact O-CA 3.02Å; Y258-A311 WeakPolarHBondContact O-CB 3.3Å; Y258-A311 PolarHBondContact O-N 2.76Å; Q307-A311 PolarHBondContact O-N 3.28Å; V308-A311 WeakPolarHBondContact O-CB 3.27Å; V308-A311 PolarHBondContact O-N 2.85Å; A311-M313 VanDerWaalsContact C-N 3.28Å; A311-M313 PolarHBondContact O-N 3.4Å; A311-K314 PolarHBondContact O-N 2.88Å; A311-L315 WeakPolarHBondContact O-CG 3.29Å; A311-L315 PolarHBondContact O-N 2.9Å; A311-V344 HydrophobicContact CB-CG2 3.8Å
312	L	98.9	Very high	98.5	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-32.7	178.4	-63.5	-171.2	0	0	0	112.7	V308 K314 L315 K316 L325 D383 M384 L387 P518	V308-L312 WeakPolarHBondContact O-CG 3.27Å; V308-L312 PolarHBondContact O-N 3.49Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-L315 HydrophobicContact CD2-CD1 4.13Å; L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.75Å; L312-L325 HydrophobicContact CD1-CD2 4.01Å; L312-L325 HydrophobicContact CD2-CD2 4.32Å; L312-D383 HydrophobicContact CD1-CB 3.97Å; L312-D383 HydrophobicContact CD2-CB 3.81Å; L312-M384 HydrophobicContact CB-SD 4.48Å; L312-M384 HydrophobicContact CD1-SD 3.71Å; L312-L387 HydrophobicContact CD1-CB 4.23Å; L312-L387 HydrophobicContact CD1-CD2 3.82Å; L312-P518 HydrophobicContact CB-CB 4.12Å; L312-P518 HydrophobicContact CB-CG 3.74Å
313	M	98.7	Very high	98.5	Very high	58 Å²	58	16.5 Å²	16.5	29%	0.286	9%	0.09	S	C	.	.	H	α-helix	trans	-60	-44.3	171.1	-178.3	179.3	66.2	0	0	111.1	A309 T310 A311 S317 P518 T519 L522	A309-M313 VanDerWaalsContact O-CB 3.32Å; A309-M313 WeakPolarHBondContact O-CB 3.19Å; A309-M313 PolarHBondContact O-N 2.92Å; T310-M313 HydrophobicContact CG2-CE 4.38Å; T310-M313 WeakPolarHBondContact O-CB 3.08Å; T310-M313 PolarHBondContact O-N 3.14Å; A311-M313 VanDerWaalsContact C-N 3.28Å; A311-M313 PolarHBondContact O-N 3.4Å; M313-S317 PolarHBondContact O-N 2.77Å; M313-P518 HydrophobicContact CB-CB 3.77Å; M313-P518 VanDerWaalsContact N-CB 3.32Å; M313-T519 HydrophobicContact SD-CG2 4.33Å; M313-L522 HydrophobicContact CB-CD1 4.35Å; M313-L522 HydrophobicContact CE-CD1 3.94Å; M313-L522 HydrophobicContact SD-CD1 3.69Å
314	K	98.6	Very high	98.4	Very high	24 Å²	24	17 Å²	17	10%	0.104	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-44.9	179.4	-169.5	65.1	179.5	-176.2	0	112	E253 Y258 F260 T310 A311 L312 K316 S317 L318	E253-K314 WeakPolarHBondContact OE1-CE 3.29Å; E253-K314 IonicContact OE1-NZ 2.69Å; E253-K314 PolarHBondContact OE1-NZ 3.46Å; E253-K314 WeakPolarHBondContact OE2-CE 3.38Å; E253-K314 IonicContact OE2-NZ 3.61Å; E253-K314 PolarHBondContact OE2-NZ 2.69Å; Y258-K314 HydrophobicContact CD1-CB 4.03Å; Y258-K314 HydrophobicContact CD1-CD 4.03Å; Y258-K314 HydrophobicContact CD1-CG 4.07Å; Y258-K314 HydrophobicContact CD2-CB 4.46Å; Y258-K314 HydrophobicContact CD2-CD 3.75Å; Y258-K314 HydrophobicContact CD2-CG 3.71Å; Y258-K314 HydrophobicContact CE1-CD 3.91Å; Y258-K314 HydrophobicContact CE1-CG 4.46Å; Y258-K314 HydrophobicContact CE2-CD 3.58Å; Y258-K314 HydrophobicContact CE2-CG 4.09Å; Y258-K314 HydrophobicContact CG-CB 3.94Å; Y258-K314 HydrophobicContact CG-CD 3.97Å; Y258-K314 HydrophobicContact CG-CG 3.69Å; F260-K314 HydrophobicContact CE1-CG 4.18Å; T310-K314 PolarHBondContact O-N 2.96Å; T310-K314 VanDerWaalsContact O-N 3.13Å; A311-K314 PolarHBondContact O-N 2.88Å; L312-K314 VanDerWaalsContact C-N 3.32Å; K314-K316 VanDerWaalsContact C-N 3.33Å; K314-K316 PolarHBondContact O-N 2.78Å; K314-S317 PolarHBondContact O-N 3.31Å; K314-S317 VanDerWaalsContact O-N 3.1Å; K314-S317 PolarHBondContact O-OG 2.73Å; K314-L318 PolarHBondContact O-N 3.37Å
315	L	98.6	Very high	98.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-46.5	174.5	-63.5	-175.8	0	0	0	111.5	L250 A311 L312 S317 L318 G319 L320 H322 F347	L250-L315 HydrophobicContact CD1-CD2 4.43Å; L250-L315 HydrophobicContact CD2-CD2 3.75Å; A311-L315 WeakPolarHBondContact O-CG 3.29Å; A311-L315 PolarHBondContact O-N 2.9Å; L312-L315 HydrophobicContact CD2-CD1 4.13Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 2.77Å; L315-L318 CarbonylContact O-C 3.56Å; L315-L318 WeakPolarHBondContact O-CA 3.48Å; L315-L318 WeakPolarHBondContact O-CB 3.5Å; L315-L318 PolarHBondContact O-N 3.13Å; L315-G319 PolarHBondContact O-N 3.37Å; L315-G319 VanDerWaalsContact O-N 3.12Å; L315-L320 CarbonylContact C-O 3.56Å; L315-L320 HydrophobicContact CB-CB 4.21Å; L315-L320 HydrophobicContact CD2-CB 4.33Å; L315-L320 HydrophobicContact CD2-CD1 4.18Å; L315-L320 PolarHBondContact O-N 3.32Å; L315-H322 HydrophobicContact CD1-CB 4.09Å; L315-F347 HydrophobicContact CD1-CE1 3.95Å; L315-F347 HydrophobicContact CD2-CE1 3.79Å; L315-F347 HydrophobicContact CD2-CZ 4.35Å
316	K	98.3	Very high	98.4	Very high	83 Å²	83	18.2 Å²	18.2	36%	0.361	10%	0.098	S	C	.	.	H	α-helix	trans	-63	-35.9	175.5	-179.2	153	-174.3	65	0	113.2	L312 K314 L318 G319 E380	L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.75Å; K314-K316 VanDerWaalsContact C-N 3.33Å; K314-K316 PolarHBondContact O-N 2.78Å; K316-L318 PolarHBondContact O-N 3.42Å; K316-G319 PolarHBondContact O-N 3.18Å; K316-E380 HydrophobicContact CB-CB 4.38Å; K316-E380 HydrophobicContact CB-CG 4.34Å; K316-E380 HydrophobicContact CD-CB 4.3Å; K316-E380 HydrophobicContact CD-CG 4.49Å; K316-E380 HydrophobicContact CG-CB 4.49Å; K316-E380 HydrophobicContact CG-CG 4.29Å; K316-E380 IonicContact NZ-OE1 3.72Å; K316-E380 PolarHBondContact NZ-OE1 2.96Å; K316-E380 IonicContact NZ-OE2 3.61Å; K316-E380 PolarHBondContact NZ-OE2 3.46Å
317	S	98.1	Very high	98.4	Very high	81 Å²	81	16.5 Å²	16.5	57%	0.566	9%	0.09	S	C	*	.	H	α-helix	trans	-64.2	-23.3	173.7	78.1	0	0	0	0	113.5	M313 K314 L315	M313-S317 PolarHBondContact O-N 2.77Å; K314-S317 PolarHBondContact O-N 3.31Å; K314-S317 VanDerWaalsContact O-N 3.1Å; K314-S317 PolarHBondContact O-OG 2.73Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 2.77Å
318	L	97.7	Very high	98.4	Very high	20 Å²	20	19.6 Å²	19.6	11%	0.105	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.6	174	-61.4	171.9	0	0	0	112.8	R249 L250 E253 K314 L315 K316 L320 H352	R249-L318 PolarHBondContact NH1-O 3.23Å; R249-L318 PolarHBondContact NH2-O 2.6Å; L250-L318 HydrophobicContact CD2-CD1 3.83Å; E253-L318 HydrophobicContact CG-CD1 4.48Å; K314-L318 PolarHBondContact O-N 3.37Å; L315-L318 CarbonylContact O-C 3.56Å; L315-L318 WeakPolarHBondContact O-CA 3.48Å; L315-L318 WeakPolarHBondContact O-CB 3.5Å; L315-L318 PolarHBondContact O-N 3.13Å; K316-L318 PolarHBondContact O-N 3.42Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 HydrophobicContact CB-CD1 3.86Å; L318-L320 HydrophobicContact CB-CG 3.9Å; L318-L320 HydrophobicContact CD1-CD1 3.96Å; L318-L320 PolarHBondContact O-N 2.69Å; L318-H352 PolarHBondContact O-CD2 3.35Å; L318-H352 PolarHBondContact O-NE2 2.94Å
319	G	97.6	Very high	98.3	Very high	12 Å²	12	20 Å²	20	12%	0.124	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	26.9	-172.6	0	0	0	0	0	113.5	L315 K316 H352 V353	L315-G319 PolarHBondContact O-N 3.37Å; L315-G319 VanDerWaalsContact O-N 3.12Å; K316-G319 PolarHBondContact O-N 3.18Å; G319-H352 CarbonylContact O-C 3.15Å; G319-H352 WeakPolarHBondContact O-CA 3.47Å; G319-H352 PolarHBondContact O-CD2 3.15Å; G319-V353 PolarHBondContact O-N 2.65Å
320	L	98.3	Very high	98.3	Very high	5 Å²	5	20 Å²	20	3%	0.026	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.1	179.6	-64.6	173.3	0	0	0	111.2	I246 L250 L315 L318 S351 H352 E380	I246-L320 HydrophobicContact CG1-CD2 4.23Å; I246-L320 HydrophobicContact CG2-CD1 4.21Å; I246-L320 HydrophobicContact CG2-CD2 4.46Å; L250-L320 HydrophobicContact CD2-CD1 4.11Å; L250-L320 HydrophobicContact CG-CD1 4.5Å; L315-L320 CarbonylContact C-O 3.56Å; L315-L320 HydrophobicContact CB-CB 4.21Å; L315-L320 HydrophobicContact CD2-CB 4.33Å; L315-L320 HydrophobicContact CD2-CD1 4.18Å; L315-L320 PolarHBondContact O-N 3.32Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 HydrophobicContact CB-CD1 3.86Å; L318-L320 HydrophobicContact CB-CG 3.9Å; L318-L320 HydrophobicContact CD1-CD1 3.96Å; L318-L320 PolarHBondContact O-N 2.69Å; L320-S351 WeakPolarHBondContact CA-O 3.25Å; L320-H352 HydrophobicContact CD2-CB 4.45Å; L320-E380 WeakPolarHBondContact O-CG 3.41Å
321	I	98.4	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.5	171.2	-49	175.2	0	0	0	107	A323 A350 S351 V353 A356 F378 E380 I382 D383	I321-A323 HydrophobicContact CG2-CB 4.03Å; I321-A350 VanDerWaalsContact O-CA 3.22Å; I321-A350 WeakPolarHBondContact O-CA 3.22Å; I321-A350 VanDerWaalsContact O-CB 3.32Å; I321-A350 WeakPolarHBondContact O-CB 3.31Å; I321-S351 PolarHBondContact N-O 3.4Å; I321-S351 PolarHBondContact O-N 3.18Å; I321-V353 HydrophobicContact CD1-CB 4.34Å; I321-V353 HydrophobicContact CD1-CG2 4.38Å; I321-V353 HydrophobicContact CG1-CB 4.46Å; I321-A356 HydrophobicContact CD1-CB 4.22Å; I321-F378 HydrophobicContact CD1-CD2 4Å; I321-F378 HydrophobicContact CD1-CE2 3.8Å; I321-E380 HydrophobicContact CG1-CB 4.4Å; I321-E380 HydrophobicContact CG1-CG 4.01Å; I321-I382 HydrophobicContact CG2-CD1 3.63Å; I321-I382 HydrophobicContact CG2-CG1 3.71Å; I321-D383 WeakPolarHBondContact CG2-OD2 3.41Å
322	H	98.4	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.			trans	-74.4	-41.1	176.1	-168.2	-90.5	0	0	0	111.6	L315 D324 L325 V344 I345 F347 A350 D383	L315-H322 HydrophobicContact CD1-CB 4.09Å; H322-D324 PolarHBondContact CE1-O 2.86Å; H322-D324 VanDerWaalsContact ND1-C 3.34Å; H322-D324 PolarHBondContact O-N 3.44Å; H322-L325 PolarHBondContact ND1-N 2.67Å; H322-V344 WeakPolarHBondContact NE2-CG1 3.48Å; H322-I345 PolarHBondContact CE1-O 3Å; H322-I345 PolarHBondContact NE2-O 3.13Å; H322-I345 VanDerWaalsContact NE2-O 3.14Å; H322-F347 AromaticContact CD2-CD1 3.81Å; H322-F347 AromaticContact CD2-CE1 3.57Å; H322-A350 WeakPolarHBondContact O-CA 3.44Å; H322-D383 WeakPolarHBondContact CB-OD1 3.39Å; H322-D383 PolarHBondContact N-OD2 2.91Å
323	A	97.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	61.3	-2.5	172.9	0	0	0	0	0	117.1	I321 L362 Q363 I382 D383	I321-A323 HydrophobicContact CG2-CB 4.03Å; A323-L362 HydrophobicContact CB-CD1 4.22Å; A323-Q363 WeakPolarHBondContact O-CA 3.08Å; A323-Q363 WeakPolarHBondContact O-CG 3.2Å; A323-Q363 PolarHBondContact O-N 3.39Å; A323-I382 HydrophobicContact CB-CD1 4.23Å; A323-D383 PolarHBondContact N-OD1 3.37Å
324	D	97.5	Very high	97.9	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.064	11%	0.112	C	C	.	.			trans	-144.3	53.1	164.9	-164.3	37.3	0	0	0	113.1	H322 K326 N329 S364	H322-D324 PolarHBondContact CE1-O 2.86Å; H322-D324 VanDerWaalsContact ND1-C 3.34Å; H322-D324 PolarHBondContact O-N 3.44Å; D324-K326 IonicContact OD1-NZ 3.73Å; D324-K326 IonicContact OD2-NZ 3.7Å; D324-K326 PolarHBondContact OD2-NZ 3.42Å; D324-N329 PolarHBondContact O-ND2 2.89Å; D324-N329 PolarHBondContact OD2-ND2 3.15Å; D324-S364 WeakPolarHBondContact OD1-CB 3.17Å; D324-S364 PolarHBondContact OD1-N 2.84Å; D324-S364 PolarHBondContact OD1-OG 2.68Å; D324-S364 PolarHBondContact OD2-OG 2.73Å
325	L	98.7	Very high	97.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.12	C	C	.	.			trans	-78.2	126	174.9	-173	72.1	0	0	0	110.7	V308 L312 H322 I330 V344 S386 L387	V308-L325 HydrophobicContact CG1-CD1 4.27Å; V308-L325 HydrophobicContact CG1-CD2 4.14Å; L312-L325 HydrophobicContact CD1-CD2 4.01Å; L312-L325 HydrophobicContact CD2-CD2 4.32Å; H322-L325 PolarHBondContact ND1-N 2.67Å; L325-I330 HydrophobicContact CD1-CD1 4.04Å; L325-I330 HydrophobicContact CD1-CG1 3.95Å; L325-I330 HydrophobicContact CG-CD1 4.45Å; L325-V344 HydrophobicContact CD1-CG1 4.01Å; L325-V344 HydrophobicContact CD1-CG2 4.38Å; L325-S386 WeakPolarHBondContact O-CB 3.49Å; L325-L387 HydrophobicContact CD2-CB 3.99Å
326	K	98.6	Very high	97.3	Very high	27 Å²	27	28.9 Å²	28.9	12%	0.117	16%	0.157	C	C	.	.			trans	-161.5	166.9	-175.6	63.6	-168.2	-170	-149.2	0	111	D324 E328 N329 I330 S364 Y367	D324-K326 IonicContact OD1-NZ 3.73Å; D324-K326 IonicContact OD2-NZ 3.7Å; D324-K326 PolarHBondContact OD2-NZ 3.42Å; K326-E328 VanDerWaalsContact C-N 3.25Å; K326-E328 WeakPolarHBondContact CB-OE2 3.22Å; K326-E328 HydrophobicContact CD-CB 4.43Å; K326-E328 HydrophobicContact CG-CB 4.18Å; K326-E328 VanDerWaalsContact CG-OE2 3.27Å; K326-E328 WeakPolarHBondContact CG-OE2 3.47Å; K326-E328 PolarHBondContact O-N 3.07Å; K326-N329 WeakPolarHBondContact CE-OD1 3.43Å; K326-N329 HydrophobicContact CG-CB 3.89Å; K326-N329 CarbonylContact O-C 3.59Å; K326-N329 PolarHBondContact O-N 3.05Å; K326-I330 PolarHBondContact O-N 2.99Å; K326-S364 VanDerWaalsContact CD-OG 3.31Å; K326-S364 WeakPolarHBondContact CD-OG 3.23Å; K326-S364 PolarHBondContact NZ-OG 2.83Å; K326-S364 VanDerWaalsContact NZ-OG 3.13Å; K326-Y367 HydrophobicContact CB-CD2 3.49Å; K326-Y367 VanDerWaalsContact CB-CD2 3.49Å; K326-Y367 HydrophobicContact CB-CE2 3.46Å; K326-Y367 VanDerWaalsContact CB-CE2 3.46Å; K326-Y367 HydrophobicContact CB-CG 4.16Å
327	P	98.6	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.7	-31.8	-179.4	-22.9	34.8	0	0	0	113.8	L284 N329 I330 Y367 V390	L284-P327 HydrophobicContact CB-CB 3.99Å; L284-P327 WeakPolarHBondContact CB-O 3.44Å; L284-P327 PolarHBondContact N-O 3.02Å; P327-N329 VanDerWaalsContact C-N 3.28Å; P327-N329 PolarHBondContact O-N 3.37Å; P327-I330 PolarHBondContact O-N 3.31Å; P327-Y367 WeakPolarHBondContact CD-OH 3Å; P327-Y367 HydrophobicContact CG-CE1 4.05Å; P327-V390 HydrophobicContact CG-CG1 4.49Å; P327-V390 HydrophobicContact CG-CG2 4.16Å
328	E	97.4	Very high	96.9	Very high	66 Å²	66	34 Å²	34	31%	0.308	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-65.5	-31.7	173.6	-50.1	95.2	111.7	0	0	112.3	N283 Y285 K326	N283-E328 VanDerWaalsContact CB-O 3.27Å; N283-E328 WeakPolarHBondContact CB-O 3.33Å; Y285-E328 HydrophobicContact CG-CG 4.39Å; K326-E328 VanDerWaalsContact C-N 3.25Å; K326-E328 WeakPolarHBondContact CB-OE2 3.22Å; K326-E328 HydrophobicContact CD-CB 4.43Å; K326-E328 HydrophobicContact CG-CB 4.18Å; K326-E328 VanDerWaalsContact CG-OE2 3.27Å; K326-E328 WeakPolarHBondContact CG-OE2 3.47Å; K326-E328 PolarHBondContact O-N 3.07Å
329	N	98.3	Very high	96.7	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.059	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-95.8	15.7	-177	-69.5	-1.7	0	0	0	113.3	D324 K326 P327 I345	D324-N329 PolarHBondContact O-ND2 2.89Å; D324-N329 PolarHBondContact OD2-ND2 3.15Å; K326-N329 WeakPolarHBondContact CE-OD1 3.43Å; K326-N329 HydrophobicContact CG-CB 3.89Å; K326-N329 CarbonylContact O-C 3.59Å; K326-N329 PolarHBondContact O-N 3.05Å; P327-N329 VanDerWaalsContact C-N 3.28Å; P327-N329 PolarHBondContact O-N 3.37Å; N329-I345 VanDerWaalsContact CA-CG1 3.49Å; N329-I345 HydrophobicContact CB-CG1 4.14Å; N329-I345 WeakPolarHBondContact O-CG1 3.06Å; N329-I345 PolarHBondContact O-N 3.29Å
330	I	98.8	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.9	171	-59.3	160.2	0	0	0	107	N283 L284 V308 L325 K326 P327 V342 V390	N283-I330 WeakPolarHBondContact CA-O 3.49Å; L284-I330 HydrophobicContact CD1-CB 3.87Å; L284-I330 HydrophobicContact CD1-CD1 4.35Å; L284-I330 HydrophobicContact CD1-CG2 3.56Å; L284-I330 HydrophobicContact CG-CB 4.19Å; L284-I330 HydrophobicContact CG-CG2 4.03Å; L284-I330 PolarHBondContact N-O 2.47Å; V308-I330 HydrophobicContact CG1-CD1 4.41Å; V308-I330 HydrophobicContact CG2-CD1 4.14Å; V308-I330 HydrophobicContact CG2-CG1 4.3Å; V308-I330 HydrophobicContact CG2-CG2 3.91Å; L325-I330 HydrophobicContact CD1-CD1 4.04Å; L325-I330 HydrophobicContact CD1-CG1 3.95Å; L325-I330 HydrophobicContact CG-CD1 4.45Å; K326-I330 PolarHBondContact O-N 2.99Å; P327-I330 PolarHBondContact O-N 3.31Å; I330-V342 HydrophobicContact CG2-CB 3.89Å; I330-V342 HydrophobicContact CG2-CG1 4.1Å; I330-V342 HydrophobicContact CG2-CG2 4.27Å; I330-V390 HydrophobicContact CD1-CG1 3.96Å; I330-V390 HydrophobicContact CD1-CG2 4.45Å
331	M	98.4	Very high	96.6	Very high	34 Å²	34	39.6 Å²	39.6	17%	0.167	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	-175.5	-70	-167.5	74.7	0	0	112.7	L280 Q282 N283 V342 K343 I345	L280-M331 HydrophobicContact CB-CB 3.99Å; L280-M331 HydrophobicContact CB-CE 3.79Å; L280-M331 HydrophobicContact CB-SD 3.97Å; L280-M331 HydrophobicContact CD1-CB 3.86Å; L280-M331 HydrophobicContact CD1-SD 4.37Å; L280-M331 WeakPolarHBondContact O-CE 2.75Å; Q282-M331 CarbonylContact O-C 3.27Å; Q282-M331 WeakPolarHBondContact O-CA 3.36Å; N283-M331 HydrophobicContact CB-CG 4.03Å; M331-V342 CarbonylContact O-C 3.47Å; M331-V342 WeakPolarHBondContact O-CA 3.03Å; M331-K343 PolarHBondContact N-O 2.84Å; M331-K343 PolarHBondContact O-N 2.66Å; M331-I345 HydrophobicContact CB-CG2 4.35Å; M331-I345 HydrophobicContact CG-CD1 4.01Å; M331-I345 HydrophobicContact CG-CG1 4.27Å; M331-I345 HydrophobicContact CG-CG2 4.13Å; M331-I345 HydrophobicContact SD-CD1 3.84Å; M331-I345 HydrophobicContact SD-CG2 4.17Å
332	L	98.1	Very high	96.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.7	166.3	-66.5	160.5	0	0	0	109.8	E281 Q282 L284 F287 P335 R341 V342	E281-L332 PolarHBondContact N-O 2.86Å; Q282-L332 WeakPolarHBondContact O-CB 2.91Å; Q282-L332 PolarHBondContact O-N 2.83Å; L284-L332 HydrophobicContact CD2-CD1 4.27Å; L284-L332 HydrophobicContact CD2-CD2 4.33Å; L284-L332 HydrophobicContact CD2-CG 4.07Å; F287-L332 HydrophobicContact CB-CD1 4.08Å; F287-L332 HydrophobicContact CD2-CD1 3.48Å; F287-L332 VanDerWaalsContact CD2-CD1 3.48Å; F287-L332 HydrophobicContact CE2-CD1 4.11Å; F287-L332 HydrophobicContact CG-CD1 3.88Å; L332-P335 HydrophobicContact CB-CG 3.89Å; L332-P335 HydrophobicContact CD1-CB 4.49Å; L332-P335 HydrophobicContact CD1-CG 4.08Å; L332-R341 VanDerWaalsContact CA-O 3.31Å; L332-R341 WeakPolarHBondContact CA-O 3.48Å; L332-V342 HydrophobicContact CD2-CG1 3.7Å; L332-V342 HydrophobicContact CG-CG1 4.25Å
333	V	96.9	Very high	96.6	Very high	24 Å²	24	39.6 Å²	39.6	15%	0.145	19%	0.188	C	C	.	.	S	Bend	trans	-73.3	-55.4	-177.7	-178	0	0	0	0	110.8	L280 E281 R341 K343	L280-V333 HydrophobicContact CD2-CB 4.36Å; L280-V333 HydrophobicContact CD2-CG1 4.23Å; L280-V333 HydrophobicContact CD2-CG2 4.15Å; E281-V333 WeakPolarHBondContact CG-O 2.56Å; V333-R341 HydrophobicContact CB-CB 4.5Å; V333-R341 HydrophobicContact CG2-CB 4.43Å; V333-R341 HydrophobicContact CG2-CG 4.08Å; V333-R341 PolarHBondContact N-O 2.95Å; V333-K343 HydrophobicContact CG2-CD 4.3Å; V333-K343 HydrophobicContact CG2-CG 4.09Å
334	D	94	Very high	96.7	Very high	35 Å²	35	39.7 Å²	39.7	19%	0.187	19%	0.189	C	C	.	.			trans	-149.1	99.2	173.6	179.1	-27.2	0	0	0	107.7	I336 R337 Q338	D334-I336 PolarHBondContact O-N 2.66Å; D334-I336 VanDerWaalsContact O-N 3.12Å; D334-I336 PolarHBondContact OD1-N 2.75Å; D334-R337 PolarHBondContact OD1-N 3.02Å; D334-R337 VanDerWaalsContact OD2-CB 3.27Å; D334-R337 WeakPolarHBondContact OD2-CB 3.46Å; D334-R337 WeakPolarHBondContact OD2-CD 3.48Å; D334-R337 WeakPolarHBondContact OD2-CG 3.42Å; D334-R337 IonicContact OD2-NE 3.83Å; D334-Q338 HydrophobicContact CB-CB 4.41Å; D334-Q338 CarbonylContact O-C 3.47Å; D334-Q338 VanDerWaalsContact O-CA 3.31Å; D334-Q338 WeakPolarHBondContact O-CA 3.19Å; D334-Q338 PolarHBondContact O-N 3.46Å; D334-Q338 VanDerWaalsContact O-O 3.14Å
335	P	92.1	Very high	96.7	Very high	41 Å²	41	40.6 Å²	40.6	27%	0.266	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.5	-176.9	-24.1	32.2	0	0	0	114.7	E281 Q282 L332	E281-P335 HydrophobicContact CB-CG 4.29Å; Q282-P335 HydrophobicContact CB-CG 4.48Å; L332-P335 HydrophobicContact CB-CG 3.89Å; L332-P335 HydrophobicContact CD1-CB 4.49Å; L332-P335 HydrophobicContact CD1-CG 4.08Å
336	I	91.2	Very high	96.5	Very high	153 Å²	153	42.1 Å²	42.1	79%	0.785	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-47	-173.1	-59.3	176.1	0	0	0	110.4	D334	D334-I336 PolarHBondContact O-N 2.66Å; D334-I336 VanDerWaalsContact O-N 3.12Å; D334-I336 PolarHBondContact OD1-N 2.75Å
337	R	93.6	Very high	96.3	Very high	211 Å²	211	41 Å²	41	80%	0.796	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-23	-176.4	-49.8	-177.7	-168.2	-164.1	0.5	113.5	D334	D334-R337 PolarHBondContact OD1-N 3.02Å; D334-R337 VanDerWaalsContact OD2-CB 3.27Å; D334-R337 WeakPolarHBondContact OD2-CB 3.46Å; D334-R337 WeakPolarHBondContact OD2-CD 3.48Å; D334-R337 WeakPolarHBondContact OD2-CG 3.42Å; D334-R337 IonicContact OD2-NE 3.83Å
338	Q	93.9	Very high	96	Very high	61 Å²	61	41 Å²	41	29%	0.285	20%	0.197	S	C	.	.	S	Bend	trans	-134.3	62.5	-179.4	-59.9	-179.1	46.3	0	0	110.7	D334 Y340 R341 I550	D334-Q338 HydrophobicContact CB-CB 4.41Å; D334-Q338 CarbonylContact O-C 3.47Å; D334-Q338 VanDerWaalsContact O-CA 3.31Å; D334-Q338 WeakPolarHBondContact O-CA 3.19Å; D334-Q338 PolarHBondContact O-N 3.46Å; D334-Q338 VanDerWaalsContact O-O 3.14Å; Q338-Y340 PolarHBondContact O-N 2.72Å; Q338-R341 HydrophobicContact CB-CB 3.95Å; Q338-R341 WeakPolarHBondContact O-CB 3.32Å; Q338-R341 PolarHBondContact O-N 3Å; Q338-I550 HydrophobicContact CB-CD1 4.34Å
339	P	94.3	Very high	95.8	Very high	63 Å²	63	39.2 Å²	39.2	41%	0.409	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	132.3	-174.9	-26.7	35.2	0	0	0	112.9	R341	P339-R341 PolarHBondContact O-N 3.29Å; P339-R341 VanDerWaalsContact O-N 3.14Å
340	Y	96.1	Very high	95.7	Very high	42 Å²	42	38.8 Å²	38.8	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	12	-178.6	-43.3	-65.3	0	0	0	115.9	F287 H300 I304 Q307 Q338	F287-Y340 HydrophobicContact CE1-CE1 4.44Å; F287-Y340 HydrophobicContact CZ-CE1 4Å; H300-Y340 HydrophobicContact CB-CD1 4.22Å; H300-Y340 HydrophobicContact CB-CD2 4.48Å; H300-Y340 HydrophobicContact CB-CE1 3.78Å; H300-Y340 HydrophobicContact CB-CE2 4.06Å; H300-Y340 AromaticContact CD2-CE2 3.41Å; H300-Y340 VanDerWaalsContact CD2-CE2 3.41Å; H300-Y340 WeakPolarHBondContact CD2-CE2 3.45Å; H300-Y340 AromaticContact CD2-CZ 3.56Å; H300-Y340 PolarHBondContact CD2-OH 3.11Å; H300-Y340 PolarHBondContact CE1-OH 2.87Å; H300-Y340 AromaticContact CG-CE2 3.75Å; H300-Y340 AromaticContact CG-CZ 3.44Å; H300-Y340 VanDerWaalsContact CG-CZ 3.44Å; H300-Y340 VanDerWaalsContact CG-OH 3.31Å; H300-Y340 AromaticContact ND1-CZ 3.85Å; H300-Y340 PolarHBondContact ND1-OH 3.19Å; I304-Y340 HydrophobicContact CD1-CD1 4.19Å; Q307-Y340 PolarHBondContact NE2-O 3.18Å; Q338-Y340 PolarHBondContact O-N 2.72Å
341	R	97.8	Very high	95.5	Very high	48 Å²	48	39.9 Å²	39.9	18%	0.181	20%	0.197	C	C	.	.			trans	-73.3	125.6	165	-163.9	-177.8	-180	-155.4	-10.2	109.5	D256 Q307 L332 V333 Q338 P339 I550	D256-R341 PolarHBondContact O-NH2 3.1Å; D256-R341 IonicContact OD1-CZ 3.52Å; D256-R341 IonicContact OD1-NH1 3.97Å; D256-R341 IonicContact OD1-NH2 2.96Å; D256-R341 PolarHBondContact OD1-NH2 2.8Å; Q307-R341 VanDerWaalsContact OE1-CA 3.24Å; L332-R341 VanDerWaalsContact CA-O 3.31Å; L332-R341 WeakPolarHBondContact CA-O 3.48Å; V333-R341 HydrophobicContact CB-CB 4.5Å; V333-R341 HydrophobicContact CG2-CB 4.43Å; V333-R341 HydrophobicContact CG2-CG 4.08Å; V333-R341 PolarHBondContact N-O 2.95Å; Q338-R341 HydrophobicContact CB-CB 3.95Å; Q338-R341 WeakPolarHBondContact O-CB 3.32Å; Q338-R341 PolarHBondContact O-N 3Å; P339-R341 PolarHBondContact O-N 3.29Å; P339-R341 VanDerWaalsContact O-N 3.14Å; R341-I550 HydrophobicContact CB-CD1 4.14Å; R341-I550 HydrophobicContact CB-CG1 3.82Å; R341-I550 HydrophobicContact CG-CG1 4.23Å
342	V	98.6	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155	-173.6	-67.9	0	0	0	0	113.3	L284 I304 Q307 V308 I330 M331 L332	L284-V342 HydrophobicContact CD2-CG1 4.41Å; I304-V342 HydrophobicContact CG1-CG1 4.24Å; I304-V342 HydrophobicContact CG2-CG1 4.39Å; I304-V342 HydrophobicContact CG2-CG2 4.26Å; Q307-V342 HydrophobicContact CB-CG2 3.67Å; Q307-V342 HydrophobicContact CG-CG2 4.42Å; V308-V342 HydrophobicContact CG2-CG2 4.12Å; I330-V342 HydrophobicContact CG2-CB 3.89Å; I330-V342 HydrophobicContact CG2-CG1 4.1Å; I330-V342 HydrophobicContact CG2-CG2 4.27Å; M331-V342 CarbonylContact O-C 3.47Å; M331-V342 WeakPolarHBondContact O-CA 3.03Å; L332-V342 HydrophobicContact CD2-CG1 3.7Å; L332-V342 HydrophobicContact CG-CG1 4.25Å
343	K	98.7	Very high	95.3	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.5	167.2	-74.6	-178.6	172.1	176.9	0	111	D256 N259 E278 L280 M331 V333	D256-K343 WeakPolarHBondContact OD1-CE 3.09Å; D256-K343 IonicContact OD1-NZ 2.71Å; D256-K343 PolarHBondContact OD1-NZ 3.26Å; D256-K343 IonicContact OD2-NZ 3.37Å; N259-K343 CarbonylContact O-C 3.57Å; N259-K343 WeakPolarHBondContact O-CA 3.32Å; E278-K343 VanDerWaalsContact OE1-CD 3.29Å; E278-K343 WeakPolarHBondContact OE1-CD 3.37Å; E278-K343 IonicContact OE1-NZ 2.8Å; E278-K343 PolarHBondContact OE1-NZ 3.33Å; E278-K343 IonicContact OE2-NZ 3.89Å; E278-K343 PolarHBondContact OE2-NZ 3.43Å; L280-K343 HydrophobicContact CD1-CB 4.09Å; L280-K343 HydrophobicContact CD2-CD 4.33Å; M331-K343 PolarHBondContact N-O 2.84Å; M331-K343 PolarHBondContact O-N 2.66Å; V333-K343 HydrophobicContact CG2-CD 4.3Å; V333-K343 HydrophobicContact CG2-CG 4.09Å
344	V	98.8	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.9	171.3	-178.8	0	0	0	0	109.9	N259 F260 V261 V308 A311 H322 L325	N259-V344 PolarHBondContact O-N 3.09Å; F260-V344 WeakPolarHBondContact CA-O 3.45Å; V261-V344 PolarHBondContact N-O 3.32Å; V308-V344 HydrophobicContact CG1-CG2 4.09Å; V308-V344 HydrophobicContact CG2-CG2 4.31Å; A311-V344 HydrophobicContact CB-CG2 3.8Å; H322-V344 WeakPolarHBondContact NE2-CG1 3.48Å; L325-V344 HydrophobicContact CD1-CG1 4.01Å; L325-V344 HydrophobicContact CD1-CG2 4.38Å
345	I	97.4	Very high	95.2	Very high	32 Å²	32	52.5 Å²	52.5	16%	0.164	26%	0.264	C	S	.	.			trans	-124.4	171.6	-178.8	66.2	150.8	0	0	0	112	V261 L280 H322 N329 M331	V261-I345 HydrophobicContact CB-CG2 3.93Å; V261-I345 HydrophobicContact CG1-CB 4.35Å; V261-I345 HydrophobicContact CG1-CG2 4.2Å; V261-I345 HydrophobicContact CG2-CG2 4.3Å; L280-I345 HydrophobicContact CD1-CG2 3.82Å; H322-I345 PolarHBondContact CE1-O 3Å; H322-I345 PolarHBondContact NE2-O 3.13Å; H322-I345 VanDerWaalsContact NE2-O 3.14Å; N329-I345 VanDerWaalsContact CA-CG1 3.49Å; N329-I345 HydrophobicContact CB-CG1 4.14Å; N329-I345 WeakPolarHBondContact O-CG1 3.06Å; N329-I345 PolarHBondContact O-N 3.29Å; M331-I345 HydrophobicContact CB-CG2 4.35Å; M331-I345 HydrophobicContact CG-CD1 4.01Å; M331-I345 HydrophobicContact CG-CG1 4.27Å; M331-I345 HydrophobicContact CG-CG2 4.13Å; M331-I345 HydrophobicContact SD-CD1 3.84Å; M331-I345 HydrophobicContact SD-CG2 4.17Å
346	D	94.1	Very high	95.2	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	26%	0.264	C	S	.	.			trans	61.8	69.3	172.7	-164.5	25.4	0	0	0	116.2	K228 G348	K228-D346 IonicContact NZ-OD1 2.74Å; K228-D346 PolarHBondContact NZ-OD1 3.32Å; D346-G348 PolarHBondContact O-N 2.93Å; D346-G348 PolarHBondContact OD1-N 3.41Å
347	F	95.2	Very high	95.2	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.7	12.3	169.1	-64.9	-82.9	0	0	0	113.7	E243 I246 L247 L250 F260 V261 L315 H322 S349 A350	E243-F347 HydrophobicContact CG-CB 4.44Å; I246-F347 HydrophobicContact CG2-CB 4.23Å; I246-F347 HydrophobicContact CG2-CD1 4.14Å; I246-F347 HydrophobicContact CG2-CG 4.36Å; L247-F347 HydrophobicContact CD2-CB 4.48Å; L247-F347 HydrophobicContact CD2-CD2 3.89Å; L247-F347 HydrophobicContact CD2-CG 4.46Å; L250-F347 HydrophobicContact CD1-CD1 3.89Å; L250-F347 HydrophobicContact CD1-CD2 3.98Å; L250-F347 HydrophobicContact CD1-CE1 3.61Å; L250-F347 HydrophobicContact CD1-CE2 3.72Å; L250-F347 HydrophobicContact CD1-CG 4.07Å; L250-F347 HydrophobicContact CD1-CZ 3.54Å; F260-F347 HydrophobicContact CB-CE2 4.21Å; F260-F347 HydrophobicContact CB-CZ 3.92Å; V261-F347 HydrophobicContact CG1-CE2 4.28Å; L315-F347 HydrophobicContact CD1-CE1 3.95Å; L315-F347 HydrophobicContact CD2-CE1 3.79Å; L315-F347 HydrophobicContact CD2-CZ 4.35Å; H322-F347 AromaticContact CD2-CD1 3.81Å; H322-F347 AromaticContact CD2-CE1 3.57Å; F347-S349 PolarHBondContact O-N 3.35Å; F347-A350 HydrophobicContact CB-CB 4.02Å; F347-A350 HydrophobicContact CD1-CB 3.95Å; F347-A350 VanDerWaalsContact O-CB 3.29Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 2.97Å
348	G	91.9	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.2	-22.2	-179.2	0	0	0	0	0	114.8	Q239 E243 D346	Q239-G348 WeakPolarHBondContact CG-O 3.35Å; Q239-G348 PolarHBondContact NE2-O 2.9Å; E243-G348 VanDerWaalsContact OE2-CA 3.3Å; E243-G348 WeakPolarHBondContact OE2-CA 3.27Å; D346-G348 PolarHBondContact O-N 2.93Å; D346-G348 PolarHBondContact OD1-N 3.41Å
349	S	93.3	Very high	94.8	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-101.7	-3.1	172.3	-59.8	0	0	0	0	113.8	F347	F347-S349 PolarHBondContact O-N 3.35Å
350	A	95.8	Very high	94.6	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	24%	0.237	C	C	.	.			trans	-71.3	155.6	-171	0	0	0	0	0	112.4	I246 I321 H322 F347	I246-A350 HydrophobicContact CD1-CB 3.67Å; I246-A350 WeakPolarHBondContact CD1-O 3.03Å; I246-A350 HydrophobicContact CG2-CB 4.4Å; I321-A350 VanDerWaalsContact O-CA 3.22Å; I321-A350 WeakPolarHBondContact O-CA 3.22Å; I321-A350 VanDerWaalsContact O-CB 3.32Å; I321-A350 WeakPolarHBondContact O-CB 3.31Å; H322-A350 WeakPolarHBondContact O-CA 3.44Å; F347-A350 HydrophobicContact CB-CB 4.02Å; F347-A350 HydrophobicContact CD1-CB 3.95Å; F347-A350 VanDerWaalsContact O-CB 3.29Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 2.97Å
351	S	95.5	Very high	94.5	Very high	22 Å²	22	46.2 Å²	46.2	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.9	179.5	59.8	0	0	0	0	112.3	L320 I321	L320-S351 WeakPolarHBondContact CA-O 3.25Å; I321-S351 PolarHBondContact N-O 3.4Å; I321-S351 PolarHBondContact O-N 3.18Å
352	H	95.9	Very high	94.4	Very high	61 Å²	61	45.5 Å²	45.5	28%	0.282	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.4	167.5	-167.8	-110.4	0	0	0	110	R249 L318 G319 L320 S354 K355	R249-H352 PolarHBondContact NH1-CD2 3.25Å; R249-H352 PolarHBondContact NH1-NE2 2.92Å; L318-H352 PolarHBondContact O-CD2 3.35Å; L318-H352 PolarHBondContact O-NE2 2.94Å; G319-H352 CarbonylContact O-C 3.15Å; G319-H352 WeakPolarHBondContact O-CA 3.47Å; G319-H352 PolarHBondContact O-CD2 3.15Å; L320-H352 HydrophobicContact CD2-CB 4.45Å; H352-S354 PolarHBondContact ND1-OG 3.21Å; H352-S354 PolarHBondContact O-N 2.82Å; H352-S354 VanDerWaalsContact O-N 3.12Å; H352-K355 WeakPolarHBondContact O-CA 3.45Å; H352-K355 WeakPolarHBondContact O-CB 3.46Å; H352-K355 PolarHBondContact O-N 2.83Å
353	V	96	Very high	94.3	Very high	52 Å²	52	46 Å²	46	32%	0.315	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.1	-31.5	-176	66	0	0	0	0	113.4	G319 I321 K355 A356 C379	G319-V353 PolarHBondContact O-N 2.65Å; I321-V353 HydrophobicContact CD1-CB 4.34Å; I321-V353 HydrophobicContact CD1-CG2 4.38Å; I321-V353 HydrophobicContact CG1-CB 4.46Å; V353-K355 PolarHBondContact O-N 3.16Å; V353-K355 VanDerWaalsContact O-N 3.11Å; V353-A356 WeakPolarHBondContact O-CB 3.38Å; V353-A356 PolarHBondContact O-N 3.22Å; V353-A356 VanDerWaalsContact O-N 3.13Å; V353-C379 HydrophobicContact CG2-CB 4.05Å
354	S	94.9	Very high	94.3	Very high	90 Å²	90	47.6 Å²	47.6	63%	0.629	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-73.5	6.1	172.9	68.5	0	0	0	0	115.1	H352	H352-S354 PolarHBondContact ND1-OG 3.21Å; H352-S354 PolarHBondContact O-N 2.82Å; H352-S354 VanDerWaalsContact O-N 3.12Å
355	K	93.3	Very high	94.3	Very high	158 Å²	158	51.5 Å²	51.5	69%	0.687	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-119	4.6	171.2	-57.9	-62.2	-178.7	-175.3	0	112.5	H352 V353 V357	H352-K355 WeakPolarHBondContact O-CA 3.45Å; H352-K355 WeakPolarHBondContact O-CB 3.46Å; H352-K355 PolarHBondContact O-N 2.83Å; V353-K355 PolarHBondContact O-N 3.16Å; V353-K355 VanDerWaalsContact O-N 3.11Å; K355-V357 PolarHBondContact O-N 3.11Å
356	A	92.4	Very high	94.3	Very high	34 Å²	34	54.1 Å²	54.1	28%	0.281	29%	0.292	S	S	.	.			trans	-66	129	172.7	0	0	0	0	0	110.3	I321 V353 F378	I321-A356 HydrophobicContact CD1-CB 4.22Å; V353-A356 WeakPolarHBondContact O-CB 3.38Å; V353-A356 PolarHBondContact O-N 3.22Å; V353-A356 VanDerWaalsContact O-N 3.13Å; A356-F378 HydrophobicContact CB-CD2 4.19Å; A356-F378 HydrophobicContact CB-CE1 4.35Å; A356-F378 HydrophobicContact CB-CE2 3.64Å; A356-F378 HydrophobicContact CB-CZ 3.72Å
357	V	92	Very high	94.5	Very high	92 Å²	92	53 Å²	53	56%	0.558	29%	0.285	S	S	*	.			trans	-119.9	129.1	179.8	178.1	0	0	0	0	108.8	K355 T360 F378	K355-V357 PolarHBondContact O-N 3.11Å; V357-T360 PolarHBondContact O-N 3.31Å; V357-T360 PolarHBondContact O-OG1 3.49Å; V357-F378 VanDerWaalsContact O-CE1 3.27Å; V357-F378 WeakPolarHBondContact O-CE1 3.4Å
358	C	88.1	Confident	94.7	Very high	62 Å²	62	53 Å²	53	42%	0.419	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	151.6	-178.6	-59	0	0	0	0	111.2	T360 P377	C358-T360 PolarHBondContact O-N 2.98Å; C358-P377 VanDerWaalsContact SG-CA 3.59Å
359	S	90	Very high	95	Very high	55 Å²	55	53 Å²	53	39%	0.385	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	2.8	-179.4	-40.4	0	0	0	0	116.8	G375 T429	S359-G375 PolarHBondContact OG-O 3.26Å; S359-T429 PolarHBondContact OG-OG1 3.37Å
360	T	91.2	Very high	95.3	Very high	56 Å²	56	51.7 Å²	51.7	34%	0.344	28%	0.276	S	S	.	.			trans	-65	138.5	173.8	-54.9	0	0	0	0	111.9	V357 C358 L362	V357-T360 PolarHBondContact O-N 3.31Å; V357-T360 PolarHBondContact O-OG1 3.49Å; C358-T360 PolarHBondContact O-N 2.98Å; T360-L362 HydrophobicContact CG2-CD1 4.46Å; T360-L362 HydrophobicContact CG2-CD2 3.89Å; T360-L362 HydrophobicContact CG2-CG 3.89Å; T360-L362 PolarHBondContact O-N 2.89Å
361	Y	93.3	Very high	95.4	Very high	139 Å²	139	51.9 Å²	51.9	55%	0.545	28%	0.276	S	S	.	.			trans	-80.9	95.7	177.1	-172.3	-88.2	0	0	0	110.5
362	L	95.3	Very high	95.6	Very high	34 Å²	34	50.9 Å²	50.9	18%	0.178	27%	0.269	C	S	.	.			trans	-117.8	170.4	179.5	-61.7	178.9	0	0	0	112	A323 T360 R368 I372 F378	A323-L362 HydrophobicContact CB-CD1 4.22Å; T360-L362 HydrophobicContact CG2-CD1 4.46Å; T360-L362 HydrophobicContact CG2-CD2 3.89Å; T360-L362 HydrophobicContact CG2-CG 3.89Å; T360-L362 PolarHBondContact O-N 2.89Å; L362-R368 VanDerWaalsContact O-CZ 3.26Å; L362-R368 PolarHBondContact O-NE 3.35Å; L362-R368 PolarHBondContact O-NH2 2.91Å; L362-R368 VanDerWaalsContact O-NH2 3.12Å; L362-I372 HydrophobicContact CB-CG2 4.32Å; L362-F378 HydrophobicContact CD1-CE1 4.19Å; L362-F378 HydrophobicContact CD1-CE2 3.73Å; L362-F378 HydrophobicContact CD1-CZ 3.37Å
363	Q	97.9	Very high	95.7	Very high	11 Å²	11	48 Å²	48	5%	0.051	26%	0.256	C	S	.	.	S	Bend	trans	62.5	136.5	179.3	-54.1	171.9	-66.3	0	0	115.4	A323 R365 Y367 R368 I382 S386	A323-Q363 WeakPolarHBondContact O-CA 3.08Å; A323-Q363 WeakPolarHBondContact O-CG 3.2Å; A323-Q363 PolarHBondContact O-N 3.39Å; Q363-R365 PolarHBondContact O-N 3Å; Q363-Y367 PolarHBondContact NE2-O 2.72Å; Q363-R368 HydrophobicContact CB-CB 4.05Å; Q363-R368 HydrophobicContact CB-CG 4.27Å; Q363-R368 PolarHBondContact O-NE 3.43Å; Q363-R368 PolarHBondContact O-NH2 2.89Å; Q363-I382 HydrophobicContact CG-CD1 4.16Å; Q363-I382 PolarHBondContact NE2-O 3.49Å; Q363-S386 PolarHBondContact NE2-OG 2.81Å
364	S	97.5	Very high	95.8	Very high	33 Å²	33	45.5 Å²	45.5	23%	0.231	24%	0.241	C	C	.	.			trans	-57.3	129.4	165.5	-67.4	0	0	0	0	110	D324 K326 Y366 Y367 R368	D324-S364 WeakPolarHBondContact OD1-CB 3.17Å; D324-S364 PolarHBondContact OD1-N 2.84Å; D324-S364 PolarHBondContact OD1-OG 2.68Å; D324-S364 PolarHBondContact OD2-OG 2.73Å; K326-S364 VanDerWaalsContact CD-OG 3.31Å; K326-S364 WeakPolarHBondContact CD-OG 3.23Å; K326-S364 PolarHBondContact NZ-OG 2.83Å; K326-S364 VanDerWaalsContact NZ-OG 3.13Å; S364-Y366 VanDerWaalsContact C-N 3.33Å; S364-Y366 PolarHBondContact O-N 2.98Å; S364-Y366 VanDerWaalsContact O-N 3.08Å; S364-Y367 PolarHBondContact O-N 2.98Å; S364-R368 PolarHBondContact O-N 2.8Å
365	R	98.3	Very high	96	Very high	83 Å²	83	41.3 Å²	41.3	31%	0.313	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-55.5	-39.5	-153.8	-165.9	-170.6	-64.4	135.3	-2.1	115	Q363 Y367 R368 G403 A404 Q409	Q363-R365 PolarHBondContact O-N 3Å; R365-Y367 PolarHBondContact O-N 3.31Å; R365-R368 VanDerWaalsContact O-CB 3.23Å; R365-R368 WeakPolarHBondContact O-CB 3.29Å; R365-R368 PolarHBondContact O-N 3.42Å; R365-G403 WeakPolarHBondContact CD-O 3.2Å; R365-G403 PolarHBondContact NH1-O 3.39Å; R365-A404 PolarHBondContact NH1-O 2.96Å; R365-Q409 HydrophobicContact CG-CB 4.49Å; R365-Q409 HydrophobicContact CG-CG 4.41Å; R365-Q409 PolarHBondContact O-NE2 2.78Å; R365-Q409 PolarHBondContact O-OE1 2.9Å
366	Y	98.7	Very high	96.2	Very high	87 Å²	87	34.4 Å²	34.4	34%	0.341	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-65.7	-24.6	-177.1	-56.5	-16	0	0	0	113.2	S364 P399 Y401 P402 G403 Q409	S364-Y366 VanDerWaalsContact C-N 3.33Å; S364-Y366 PolarHBondContact O-N 2.98Å; S364-Y366 VanDerWaalsContact O-N 3.08Å; Y366-P399 HydrophobicContact CD2-CB 4.04Å; Y366-P399 HydrophobicContact CD2-CG 4.06Å; Y366-P399 HydrophobicContact CE2-CG 4.37Å; Y366-Y401 WeakPolarHBondContact CA-O 3.34Å; Y366-Y401 WeakPolarHBondContact CB-O 3.46Å; Y366-P402 VanDerWaalsContact CD1-CA 3.46Å; Y366-P402 HydrophobicContact CD1-CB 4.46Å; Y366-P402 HydrophobicContact CE1-CB 4.22Å; Y366-P402 HydrophobicContact CE2-CB 4.31Å; Y366-G403 WeakPolarHBondContact CE1-O 3.35Å; Y366-Q409 PolarHBondContact O-NE2 3.11Å; Y366-Q409 VanDerWaalsContact O-NE2 3.16Å
367	Y	98.9	Very high	96.5	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-106.6	10.6	-178.2	-37.7	-77.5	0	0	0	111.9	K326 P327 Q363 S364 R365 S386 C389 V390 E393	K326-Y367 HydrophobicContact CB-CD2 3.49Å; K326-Y367 VanDerWaalsContact CB-CD2 3.49Å; K326-Y367 HydrophobicContact CB-CE2 3.46Å; K326-Y367 VanDerWaalsContact CB-CE2 3.46Å; K326-Y367 HydrophobicContact CB-CG 4.16Å; P327-Y367 WeakPolarHBondContact CD-OH 3Å; P327-Y367 HydrophobicContact CG-CE1 4.05Å; Q363-Y367 PolarHBondContact NE2-O 2.72Å; S364-Y367 PolarHBondContact O-N 2.98Å; R365-Y367 PolarHBondContact O-N 3.31Å; Y367-S386 WeakPolarHBondContact O-CA 3.25Å; Y367-S386 PolarHBondContact O-OG 3Å; Y367-C389 HydrophobicContact CD1-CB 3.81Å; Y367-V390 HydrophobicContact CD1-CG2 4.13Å; Y367-V390 HydrophobicContact CE1-CG2 4.38Å; Y367-E393 WeakPolarHBondContact CE1-OE2 3.49Å; Y367-E393 PolarHBondContact OH-OE2 3.27Å
368	R	98.8	Very high	96.8	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.011	18%	0.175	C	C	.	.			trans	-78	133	-176.5	-176.6	178.2	-69	171.1	2.6	112.1	L362 Q363 S364 R365 I372 I373 W385 E406	L362-R368 VanDerWaalsContact O-CZ 3.26Å; L362-R368 PolarHBondContact O-NE 3.35Å; L362-R368 PolarHBondContact O-NH2 2.91Å; L362-R368 VanDerWaalsContact O-NH2 3.12Å; Q363-R368 HydrophobicContact CB-CB 4.05Å; Q363-R368 HydrophobicContact CB-CG 4.27Å; Q363-R368 PolarHBondContact O-NE 3.43Å; Q363-R368 PolarHBondContact O-NH2 2.89Å; S364-R368 PolarHBondContact O-N 2.8Å; R365-R368 VanDerWaalsContact O-CB 3.23Å; R365-R368 WeakPolarHBondContact O-CB 3.29Å; R365-R368 PolarHBondContact O-N 3.42Å; R368-I372 HydrophobicContact CG-CB 3.82Å; R368-I372 HydrophobicContact CG-CG2 3.87Å; R368-I373 HydrophobicContact CG-CG1 3.86Å; R368-W385 PolarHBondContact O-NE1 3.2Å; R368-E406 IonicContact CZ-OE1 2.63Å; R368-E406 IonicContact NH1-OE1 2.63Å; R368-E406 PolarHBondContact NH1-OE1 3.04Å
369	A	98.8	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.			trans	-76.2	149.3	-178.4	0	0	0	0	0	112.6	E371 I372 I373 I382 W385	A369-E371 HydrophobicContact CB-CG 4.15Å; A369-E371 WeakPolarHBondContact CB-OE2 3.01Å; A369-E371 PolarHBondContact O-N 3.35Å; A369-I372 PolarHBondContact O-N 2.89Å; A369-I373 PolarHBondContact O-N 3.09Å; A369-I382 HydrophobicContact CB-CB 3.99Å; A369-I382 HydrophobicContact CB-CG2 4.03Å; A369-W385 VanDerWaalsContact CA-CD1 3.47Å; A369-W385 HydrophobicContact CB-CB 3.83Å; A369-W385 HydrophobicContact CB-CD2 4.42Å; A369-W385 HydrophobicContact CB-CG 3.78Å
370	P	98.7	Very high	97.6	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-53.9	-38.2	-179.8	-28.7	36.6	0	0	0	113.6	I372 I373 L374 W385 I410 L510	P370-I372 VanDerWaalsContact C-N 3.33Å; P370-I372 PolarHBondContact O-N 3.38Å; P370-I373 PolarHBondContact O-N 2.82Å; P370-I373 VanDerWaalsContact O-N 3.16Å; P370-L374 WeakPolarHBondContact O-CB 3.18Å; P370-L374 VanDerWaalsContact O-CG 3.29Å; P370-L374 WeakPolarHBondContact O-CG 3.29Å; P370-L374 PolarHBondContact O-N 3.38Å; P370-W385 HydrophobicContact CG-CD2 4.45Å; P370-W385 HydrophobicContact CG-CE3 4.1Å; P370-W385 HydrophobicContact CG-CH2 3.74Å; P370-W385 HydrophobicContact CG-CZ2 4.08Å; P370-W385 HydrophobicContact CG-CZ3 3.73Å; P370-I410 HydrophobicContact CB-CD1 4.4Å; P370-L510 HydrophobicContact CG-CD2 4Å
371	E	98.7	Very high	98	Very high	6 Å²	6	29 Å²	29	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-37.9	177.3	55.2	-93.6	-136.8	0	0	113.5	A369 G375 L376 F378 I382 A512 R515	A369-E371 HydrophobicContact CB-CG 4.15Å; A369-E371 WeakPolarHBondContact CB-OE2 3.01Å; A369-E371 PolarHBondContact O-N 3.35Å; E371-G375 WeakPolarHBondContact O-CA 3.38Å; E371-G375 PolarHBondContact O-N 3.42Å; E371-L376 HydrophobicContact CB-CB 3.85Å; E371-L376 HydrophobicContact CB-CD1 4.25Å; E371-L376 PolarHBondContact O-N 2.98Å; E371-F378 HydrophobicContact CG-CB 3.92Å; E371-I382 HydrophobicContact CG-CG2 3.82Å; E371-I382 WeakPolarHBondContact OE1-CG2 3.16Å; E371-A512 WeakPolarHBondContact OE1-CB 3.48Å; E371-R515 IonicContact OE1-CZ 3.97Å; E371-R515 IonicContact OE1-NH1 2.66Å; E371-R515 PolarHBondContact OE1-NH1 3.33Å; E371-R515 IonicContact OE1-NH2 2.69Å; E371-R515 PolarHBondContact OE1-NH2 3.25Å; E371-R515 IonicContact OE2-CZ 2.76Å; E371-R515 IonicContact OE2-NH1 2.74Å; E371-R515 IonicContact OE2-NH2 2.7Å; E371-R515 PolarHBondContact OE2-NH2 3Å
372	I	98.6	Very high	98.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-72.5	-35.4	176.4	-55.9	-56.2	0	0	0	111	L362 R368 A369 P370 F378 I382 K430	L362-I372 HydrophobicContact CB-CG2 4.32Å; R368-I372 HydrophobicContact CG-CB 3.82Å; R368-I372 HydrophobicContact CG-CG2 3.87Å; A369-I372 PolarHBondContact O-N 2.89Å; P370-I372 VanDerWaalsContact C-N 3.33Å; P370-I372 PolarHBondContact O-N 3.38Å; I372-F378 HydrophobicContact CD1-CB 3.88Å; I372-F378 HydrophobicContact CD1-CD1 3.34Å; I372-F378 HydrophobicContact CD1-CD2 3.99Å; I372-F378 HydrophobicContact CD1-CE1 3.76Å; I372-F378 HydrophobicContact CD1-CE2 4.38Å; I372-F378 HydrophobicContact CD1-CG 3.47Å; I372-F378 VanDerWaalsContact CD1-CG 3.47Å; I372-F378 HydrophobicContact CD1-CZ 4.28Å; I372-I382 HydrophobicContact CD1-CD1 4.29Å; I372-I382 HydrophobicContact CD1-CG2 4.14Å; I372-I382 HydrophobicContact CG1-CD1 4.41Å; I372-I382 HydrophobicContact CG1-CG2 4.07Å; I372-K430 PolarHBondContact O-NZ 2.87Å; I372-K430 VanDerWaalsContact O-NZ 3.15Å
373	I	98.7	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.2	-47.9	175.8	-55.2	168.2	0	0	0	110.1	R368 A369 P370 G375 E406 Q409 I410 I413 K430 F434	R368-I373 HydrophobicContact CG-CG1 3.86Å; A369-I373 PolarHBondContact O-N 3.09Å; P370-I373 PolarHBondContact O-N 2.82Å; P370-I373 VanDerWaalsContact O-N 3.16Å; I373-G375 VanDerWaalsContact C-N 3.31Å; I373-G375 PolarHBondContact O-N 3.22Å; I373-E406 HydrophobicContact CG2-CB 4.32Å; I373-Q409 HydrophobicContact CD1-CB 4.11Å; I373-Q409 HydrophobicContact CD1-CG 3.63Å; I373-I410 HydrophobicContact CD1-CB 4.41Å; I373-I410 HydrophobicContact CD1-CD1 4.34Å; I373-I410 HydrophobicContact CG2-CB 4.07Å; I373-I410 HydrophobicContact CG2-CG2 4.46Å; I373-I413 HydrophobicContact CD1-CD1 4.04Å; I373-K430 WeakPolarHBondContact O-CB 3.31Å; I373-K430 VanDerWaalsContact O-CD 3.3Å; I373-K430 WeakPolarHBondContact O-CD 3.49Å; I373-K430 WeakPolarHBondContact O-CE 3.15Å; I373-K430 PolarHBondContact O-NZ 3.45Å; I373-F434 HydrophobicContact CG2-CD2 4.34Å; I373-F434 HydrophobicContact CG2-CE2 3.74Å; I373-F434 HydrophobicContact CG2-CZ 3.86Å; I373-F434 WeakPolarHBondContact O-CE2 3.39Å
374	L	98.6	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-75.4	-14	-179.3	-63.3	175.5	0	0	0	113.9	P370 L376 P420 L424 L425 G428 T429 K430 F435	P370-L374 WeakPolarHBondContact O-CB 3.18Å; P370-L374 VanDerWaalsContact O-CG 3.29Å; P370-L374 WeakPolarHBondContact O-CG 3.29Å; P370-L374 PolarHBondContact O-N 3.38Å; L374-L376 HydrophobicContact CB-CD1 4.18Å; L374-L376 HydrophobicContact CB-CG 4.21Å; L374-L376 HydrophobicContact CD1-CD1 4.14Å; L374-P420 HydrophobicContact CD1-CB 4.18Å; L374-P420 HydrophobicContact CD1-CG 4.32Å; L374-L424 HydrophobicContact CD1-CB 4.01Å; L374-L425 HydrophobicContact CD1-CD2 4.05Å; L374-L425 HydrophobicContact CD2-CD2 3.89Å; L374-G428 CarbonylContact O-C 3.56Å; L374-G428 WeakPolarHBondContact O-CA 3.49Å; L374-T429 PolarHBondContact O-N 2.84Å; L374-T429 VanDerWaalsContact O-N 3.11Å; L374-K430 WeakPolarHBondContact O-CB 3.45Å; L374-K430 PolarHBondContact O-N 3.46Å; L374-F435 HydrophobicContact CD2-CD2 4.32Å; L374-F435 HydrophobicContact CD2-CE2 3.75Å
375	G	98.1	Very high	98.5	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	25.5	178.7	0	0	0	0	0	114.4	S359 E371 I373 T429	S359-G375 PolarHBondContact OG-O 3.26Å; E371-G375 WeakPolarHBondContact O-CA 3.38Å; E371-G375 PolarHBondContact O-N 3.42Å; I373-G375 VanDerWaalsContact C-N 3.31Å; I373-G375 PolarHBondContact O-N 3.22Å; G375-T429 WeakPolarHBondContact CA-OG1 3.36Å; G375-T429 PolarHBondContact O-OG1 3.27Å; G375-T429 VanDerWaalsContact O-OG1 3.09Å
376	L	98.3	Very high	98.6	Very high	13 Å²	13	15 Å²	15	7%	0.068	8%	0.081	C	C	.	.			trans	-73.5	167.6	176.4	-73	167.7	0	0	0	112.2	E371 L374 L424 A427	E371-L376 HydrophobicContact CB-CB 3.85Å; E371-L376 HydrophobicContact CB-CD1 4.25Å; E371-L376 PolarHBondContact O-N 2.98Å; L374-L376 HydrophobicContact CB-CD1 4.18Å; L374-L376 HydrophobicContact CB-CG 4.21Å; L374-L376 HydrophobicContact CD1-CD1 4.14Å; L376-L424 HydrophobicContact CD1-CB 3.89Å; L376-L424 HydrophobicContact CD1-CD2 3.88Å; L376-L424 HydrophobicContact CD1-CG 4.02Å; L376-A427 VanDerWaalsContact CD2-C 3.4Å; L376-A427 HydrophobicContact CD2-CB 3.49Å; L376-A427 VanDerWaalsContact CD2-CB 3.49Å
377	P	97.3	Very high	98.6	Very high	91 Å²	91	11 Å²	11	59%	0.591	7%	0.066	S	C	*	.			trans	-57.3	148.9	159.4	-19.3	31.8	0	0	0	111.3	C358	C358-P377 VanDerWaalsContact SG-CA 3.59Å
378	F	98.3	Very high	98.6	Very high	23 Å²	23	10.5 Å²	10.5	10%	0.101	6%	0.064	C	C	.	.			trans	-146.8	166.3	-178.6	68.7	-94.8	0	0	0	112.5	I321 A356 V357 L362 E371 I372 I382	I321-F378 HydrophobicContact CD1-CD2 4Å; I321-F378 HydrophobicContact CD1-CE2 3.8Å; A356-F378 HydrophobicContact CB-CD2 4.19Å; A356-F378 HydrophobicContact CB-CE1 4.35Å; A356-F378 HydrophobicContact CB-CE2 3.64Å; A356-F378 HydrophobicContact CB-CZ 3.72Å; V357-F378 VanDerWaalsContact O-CE1 3.27Å; V357-F378 WeakPolarHBondContact O-CE1 3.4Å; L362-F378 HydrophobicContact CD1-CE1 4.19Å; L362-F378 HydrophobicContact CD1-CE2 3.73Å; L362-F378 HydrophobicContact CD1-CZ 3.37Å; E371-F378 HydrophobicContact CG-CB 3.92Å; I372-F378 HydrophobicContact CD1-CB 3.88Å; I372-F378 HydrophobicContact CD1-CD1 3.34Å; I372-F378 HydrophobicContact CD1-CD2 3.99Å; I372-F378 HydrophobicContact CD1-CE1 3.76Å; I372-F378 HydrophobicContact CD1-CE2 4.38Å; I372-F378 HydrophobicContact CD1-CG 3.47Å; I372-F378 VanDerWaalsContact CD1-CG 3.47Å; I372-F378 HydrophobicContact CD1-CZ 4.28Å; F378-I382 HydrophobicContact CB-CG2 3.78Å; F378-I382 HydrophobicContact CD2-CD1 4Å; F378-I382 HydrophobicContact CD2-CG2 4.22Å; F378-I382 HydrophobicContact CE2-CD1 4.25Å; F378-I382 HydrophobicContact CG-CG2 4.31Å
379	C	97.6	Very high	98.6	Very high	38 Å²	38	10.4 Å²	10.4	26%	0.257	6%	0.064	S	C	.	.			trans	-146.1	-161.5	179	65.7	0	0	0	0	110.2	V353 A381 I382	V353-C379 HydrophobicContact CG2-CB 4.05Å; C379-A381 PolarHBondContact O-N 3.08Å; C379-A381 VanDerWaalsContact SG-CB 3.56Å; C379-I382 PolarHBondContact O-N 3.4Å
380	E	98.4	Very high	98.6	Very high	19 Å²	19	10.5 Å²	10.5	9%	0.089	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.6	178.3	-31.7	87	136	0	0	112.9	K316 L320 I321 I382 D383	K316-E380 HydrophobicContact CB-CB 4.38Å; K316-E380 HydrophobicContact CB-CG 4.34Å; K316-E380 HydrophobicContact CD-CB 4.3Å; K316-E380 HydrophobicContact CD-CG 4.49Å; K316-E380 HydrophobicContact CG-CB 4.49Å; K316-E380 HydrophobicContact CG-CG 4.29Å; K316-E380 IonicContact NZ-OE1 3.72Å; K316-E380 PolarHBondContact NZ-OE1 2.96Å; K316-E380 IonicContact NZ-OE2 3.61Å; K316-E380 PolarHBondContact NZ-OE2 3.46Å; L320-E380 WeakPolarHBondContact O-CG 3.41Å; I321-E380 HydrophobicContact CG1-CB 4.4Å; I321-E380 HydrophobicContact CG1-CG 4.01Å; E380-I382 PolarHBondContact O-N 2.86Å; E380-D383 PolarHBondContact O-N 3.48Å
381	A	98.8	Very high	98.6	Very high	16 Å²	16	10.5 Å²	10.5	13%	0.132	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-21.7	172.2	0	0	0	0	0	113.5	C379 D383 M384 W385 A512 R515	C379-A381 PolarHBondContact O-N 3.08Å; C379-A381 VanDerWaalsContact SG-CB 3.56Å; A381-D383 VanDerWaalsContact C-N 3.29Å; A381-D383 PolarHBondContact O-N 3.27Å; A381-M384 PolarHBondContact O-N 3.03Å; A381-W385 PolarHBondContact O-N 3.24Å; A381-A512 HydrophobicContact CB-CB 4.25Å; A381-R515 WeakPolarHBondContact O-CD 3.46Å; A381-R515 PolarHBondContact O-NH1 3.33Å
382	I	98.9	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.4	-33.7	177.5	72.3	176.5	0	0	0	111.8	I321 A323 Q363 A369 E371 I372 F378 C379 E380 M384 W385 S386	I321-I382 HydrophobicContact CG2-CD1 3.63Å; I321-I382 HydrophobicContact CG2-CG1 3.71Å; A323-I382 HydrophobicContact CB-CD1 4.23Å; Q363-I382 HydrophobicContact CG-CD1 4.16Å; Q363-I382 PolarHBondContact NE2-O 3.49Å; A369-I382 HydrophobicContact CB-CB 3.99Å; A369-I382 HydrophobicContact CB-CG2 4.03Å; E371-I382 HydrophobicContact CG-CG2 3.82Å; E371-I382 WeakPolarHBondContact OE1-CG2 3.16Å; I372-I382 HydrophobicContact CD1-CD1 4.29Å; I372-I382 HydrophobicContact CD1-CG2 4.14Å; I372-I382 HydrophobicContact CG1-CD1 4.41Å; I372-I382 HydrophobicContact CG1-CG2 4.07Å; F378-I382 HydrophobicContact CB-CG2 3.78Å; F378-I382 HydrophobicContact CD2-CD1 4Å; F378-I382 HydrophobicContact CD2-CG2 4.22Å; F378-I382 HydrophobicContact CE2-CD1 4.25Å; F378-I382 HydrophobicContact CG-CG2 4.31Å; C379-I382 PolarHBondContact O-N 3.4Å; E380-I382 PolarHBondContact O-N 2.86Å; I382-M384 VanDerWaalsContact C-N 3.33Å; I382-M384 PolarHBondContact O-N 3.42Å; I382-W385 WeakPolarHBondContact O-CB 3.43Å; I382-W385 PolarHBondContact O-N 2.99Å; I382-S386 PolarHBondContact O-N 3.37Å; I382-S386 VanDerWaalsContact O-N 3.11Å; I382-S386 PolarHBondContact O-OG 2.98Å
383	D	98.9	Very high	98.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.011	6%	0.063	C	C	.	.	H	α-helix	trans	-72.7	-29.6	-180	-57.2	-43.8	0	0	0	111.4	L312 I321 H322 A323 E380 A381 W385 S386 L387	L312-D383 HydrophobicContact CD1-CB 3.97Å; L312-D383 HydrophobicContact CD2-CB 3.81Å; I321-D383 WeakPolarHBondContact CG2-OD2 3.41Å; H322-D383 WeakPolarHBondContact CB-OD1 3.39Å; H322-D383 PolarHBondContact N-OD2 2.91Å; A323-D383 PolarHBondContact N-OD1 3.37Å; E380-D383 PolarHBondContact O-N 3.48Å; A381-D383 VanDerWaalsContact C-N 3.29Å; A381-D383 PolarHBondContact O-N 3.27Å; D383-W385 VanDerWaalsContact C-N 3.33Å; D383-S386 PolarHBondContact O-N 3.3Å; D383-L387 WeakPolarHBondContact O-CB 3.34Å; D383-L387 PolarHBondContact O-N 2.7Å
384	M	98.9	Very high	98.6	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.015	6%	0.063	C	C	.	.	H	α-helix	trans	-69.1	-30.2	172.1	-72.5	-57.1	-51.6	0	0	112.8	L312 A381 I382 L387 G388 M507 R515 I516 P518 T521	L312-M384 HydrophobicContact CB-SD 4.48Å; L312-M384 HydrophobicContact CD1-SD 3.71Å; A381-M384 PolarHBondContact O-N 3.03Å; I382-M384 VanDerWaalsContact C-N 3.33Å; I382-M384 PolarHBondContact O-N 3.42Å; M384-L387 HydrophobicContact CE-CD2 4.21Å; M384-L387 HydrophobicContact SD-CD2 4.24Å; M384-G388 PolarHBondContact O-N 3.32Å; M384-M507 HydrophobicContact CE-CE 4.01Å; M384-M507 HydrophobicContact CE-CG 4.04Å; M384-R515 HydrophobicContact CB-CG 4.47Å; M384-I516 HydrophobicContact CE-CG2 4.12Å; M384-I516 WeakPolarHBondContact CE-O 3.16Å; M384-I516 WeakPolarHBondContact CG-O 3.12Å; M384-P518 HydrophobicContact CG-CG 4.14Å; M384-P518 HydrophobicContact SD-CB 4.12Å; M384-P518 HydrophobicContact SD-CG 3.6Å; M384-T521 HydrophobicContact CE-CG2 4.49Å; M384-T521 VanDerWaalsContact CE-OG1 3.26Å; M384-T521 WeakPolarHBondContact CE-OG1 3.22Å
385	W	98.9	Very high	98.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.9	-48.7	169.4	174.4	-81	0	0	0	110.7	R368 A369 P370 A381 I382 D383 L387 G388 C389 Y401 I413 L508 L510	R368-W385 PolarHBondContact O-NE1 3.2Å; A369-W385 VanDerWaalsContact CA-CD1 3.47Å; A369-W385 HydrophobicContact CB-CB 3.83Å; A369-W385 HydrophobicContact CB-CD2 4.42Å; A369-W385 HydrophobicContact CB-CG 3.78Å; P370-W385 HydrophobicContact CG-CD2 4.45Å; P370-W385 HydrophobicContact CG-CE3 4.1Å; P370-W385 HydrophobicContact CG-CH2 3.74Å; P370-W385 HydrophobicContact CG-CZ2 4.08Å; P370-W385 HydrophobicContact CG-CZ3 3.73Å; A381-W385 PolarHBondContact O-N 3.24Å; I382-W385 WeakPolarHBondContact O-CB 3.43Å; I382-W385 PolarHBondContact O-N 2.99Å; D383-W385 VanDerWaalsContact C-N 3.33Å; W385-L387 VanDerWaalsContact C-N 3.29Å; W385-L387 PolarHBondContact O-N 3.29Å; W385-G388 WeakPolarHBondContact O-CA 3.47Å; W385-G388 PolarHBondContact O-N 2.84Å; W385-C389 PolarHBondContact O-N 3.08Å; W385-Y401 HydrophobicContact CH2-CE2 4.44Å; W385-Y401 HydrophobicContact CZ2-CD2 4.29Å; W385-Y401 HydrophobicContact CZ2-CE2 4.06Å; W385-I413 HydrophobicContact CH2-CD1 4.29Å; W385-I413 HydrophobicContact CH2-CG1 4.31Å; W385-I413 HydrophobicContact CH2-CG2 3.9Å; W385-I413 HydrophobicContact CZ2-CD1 3.67Å; W385-I413 HydrophobicContact CZ2-CG1 3.91Å; W385-I413 HydrophobicContact CZ2-CG2 4.34Å; W385-L508 HydrophobicContact CD2-CD2 3.74Å; W385-L508 HydrophobicContact CE3-CB 4.29Å; W385-L508 HydrophobicContact CE3-CD2 3.87Å; W385-L508 HydrophobicContact CG-CD2 4.29Å; W385-L508 HydrophobicContact CH2-CB 4.24Å; W385-L508 HydrophobicContact CH2-CD2 4.12Å; W385-L508 HydrophobicContact CZ2-CD2 4.03Å; W385-L508 HydrophobicContact CZ3-CB 3.89Å; W385-L508 HydrophobicContact CZ3-CD2 4.06Å; W385-L508 WeakPolarHBondContact CZ3-O 3.23Å; W385-L510 HydrophobicContact CH2-CD2 3.78Å; W385-L510 HydrophobicContact CZ3-CD2 3.85Å
386	S	98.9	Very high	98.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.5	-43.3	177	-57.4	0	0	0	0	112.2	L325 Q363 Y367 I382 D383 G388 C389 V390	L325-S386 WeakPolarHBondContact O-CB 3.49Å; Q363-S386 PolarHBondContact NE2-OG 2.81Å; Y367-S386 WeakPolarHBondContact O-CA 3.25Å; Y367-S386 PolarHBondContact O-OG 3Å; I382-S386 PolarHBondContact O-N 3.37Å; I382-S386 VanDerWaalsContact O-N 3.11Å; I382-S386 PolarHBondContact O-OG 2.98Å; D383-S386 PolarHBondContact O-N 3.3Å; S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 3.26Å; S386-C389 WeakPolarHBondContact O-CB 3.38Å; S386-C389 PolarHBondContact O-N 2.92Å; S386-C389 VanDerWaalsContact O-N 3.16Å; S386-V390 WeakPolarHBondContact O-CG2 3.26Å; S386-V390 PolarHBondContact O-N 2.95Å
387	L	98.9	Very high	98.6	Very high	2 Å²	2	10 Å²	10	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-38.5	175.4	-178	54.6	0	0	0	112.3	L305 V308 A309 L312 L325 D383 M384 W385 V390 I391 M507	L305-L387 HydrophobicContact CD1-CD1 3.96Å; L305-L387 HydrophobicContact CD1-CD2 3.77Å; L305-L387 HydrophobicContact CD1-CG 3.87Å; V308-L387 HydrophobicContact CB-CD1 4.1Å; V308-L387 HydrophobicContact CG1-CD1 3.74Å; V308-L387 HydrophobicContact CG1-CD2 4.31Å; A309-L387 HydrophobicContact CB-CD2 4.36Å; L312-L387 HydrophobicContact CD1-CB 4.23Å; L312-L387 HydrophobicContact CD1-CD2 3.82Å; L325-L387 HydrophobicContact CD2-CB 3.99Å; D383-L387 WeakPolarHBondContact O-CB 3.34Å; D383-L387 PolarHBondContact O-N 2.7Å; M384-L387 HydrophobicContact CE-CD2 4.21Å; M384-L387 HydrophobicContact SD-CD2 4.24Å; W385-L387 VanDerWaalsContact C-N 3.29Å; W385-L387 PolarHBondContact O-N 3.29Å; L387-V390 PolarHBondContact O-N 3.16Å; L387-I391 HydrophobicContact CD1-CG2 4.18Å; L387-I391 PolarHBondContact O-N 3.13Å; L387-M507 HydrophobicContact CD2-CE 4.45Å
388	G	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-47.7	171.4	0	0	0	0	0	112.5	M384 W385 S386 V390 I391 A392 L504	M384-G388 PolarHBondContact O-N 3.32Å; W385-G388 WeakPolarHBondContact O-CA 3.47Å; W385-G388 PolarHBondContact O-N 2.84Å; S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 3.26Å; G388-V390 PolarHBondContact O-N 3.3Å; G388-I391 WeakPolarHBondContact O-CG1 3.45Å; G388-I391 PolarHBondContact O-N 3.03Å; G388-A392 WeakPolarHBondContact O-CB 3.31Å; G388-A392 PolarHBondContact O-N 3.34Å; G388-A392 VanDerWaalsContact O-N 3.1Å; G388-L504 WeakPolarHBondContact O-CD1 3.28Å
389	C	98.9	Very high	98.6	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-41.6	175.2	-66.8	0	0	0	0	112.3	Y367 W385 S386 A392 E393	Y367-C389 HydrophobicContact CD1-CB 3.81Å; W385-C389 PolarHBondContact O-N 3.08Å; S386-C389 WeakPolarHBondContact O-CB 3.38Å; S386-C389 PolarHBondContact O-N 2.92Å; S386-C389 VanDerWaalsContact O-N 3.16Å; C389-A392 PolarHBondContact O-N 2.86Å; C389-E393 WeakPolarHBondContact O-CB 3.41Å; C389-E393 PolarHBondContact O-N 3.43Å
390	V	98.9	Very high	98.7	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-61.5	-49.1	177.1	169.6	0	0	0	0	111.8	P327 I330 Y367 S386 L387 G388 A392 E393 L394	P327-V390 HydrophobicContact CG-CG1 4.49Å; P327-V390 HydrophobicContact CG-CG2 4.16Å; I330-V390 HydrophobicContact CD1-CG1 3.96Å; I330-V390 HydrophobicContact CD1-CG2 4.45Å; Y367-V390 HydrophobicContact CD1-CG2 4.13Å; Y367-V390 HydrophobicContact CE1-CG2 4.38Å; S386-V390 WeakPolarHBondContact O-CG2 3.26Å; S386-V390 PolarHBondContact O-N 2.95Å; L387-V390 PolarHBondContact O-N 3.16Å; G388-V390 PolarHBondContact O-N 3.3Å; V390-A392 VanDerWaalsContact C-N 3.31Å; V390-A392 PolarHBondContact O-N 2.92Å; V390-E393 PolarHBondContact O-N 2.97Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 WeakPolarHBondContact O-CG 3.19Å; V390-L394 PolarHBondContact O-N 3.19Å
391	I	98.9	Very high	98.7	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-69.9	-29.9	-178.6	67.4	176.6	0	0	0	112.6	I301 L305 L387 G388 F395 F500 L504 M507	I301-I391 HydrophobicContact CG2-CB 3.93Å; I301-I391 HydrophobicContact CG2-CG2 4.02Å; L305-I391 HydrophobicContact CB-CG2 4.14Å; L305-I391 HydrophobicContact CD1-CD1 4.41Å; L305-I391 HydrophobicContact CD1-CG2 4.03Å; L305-I391 HydrophobicContact CD2-CD1 4.01Å; L305-I391 HydrophobicContact CD2-CG2 4.5Å; L305-I391 HydrophobicContact CG-CG2 4.43Å; L387-I391 HydrophobicContact CD1-CG2 4.18Å; L387-I391 PolarHBondContact O-N 3.13Å; G388-I391 WeakPolarHBondContact O-CG1 3.45Å; G388-I391 PolarHBondContact O-N 3.03Å; I391-F395 WeakPolarHBondContact O-CB 3.43Å; I391-F395 PolarHBondContact O-N 3.03Å; I391-F395 VanDerWaalsContact O-N 3.14Å; I391-F500 HydrophobicContact CB-CE2 4.16Å; I391-F500 HydrophobicContact CD1-CE2 3.89Å; I391-F500 HydrophobicContact CG1-CE2 4.04Å; I391-F500 HydrophobicContact CG1-CZ 4.35Å; I391-L504 HydrophobicContact CD1-CD1 4.46Å; I391-L504 HydrophobicContact CG1-CD1 4.15Å; I391-M507 HydrophobicContact CD1-CE 4.16Å; I391-M507 HydrophobicContact CD1-SD 3.54Å; I391-M507 VanDerWaalsContact CD1-SD 3.54Å; I391-M507 HydrophobicContact CG1-SD 4.43Å
392	A	98.8	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66	-41.8	170.4	0	0	0	0	0	111.6	G388 C389 V390 F395 L396 L400 M476 L504	G388-A392 WeakPolarHBondContact O-CB 3.31Å; G388-A392 PolarHBondContact O-N 3.34Å; G388-A392 VanDerWaalsContact O-N 3.1Å; C389-A392 PolarHBondContact O-N 2.86Å; V390-A392 VanDerWaalsContact C-N 3.31Å; V390-A392 PolarHBondContact O-N 2.92Å; A392-F395 PolarHBondContact O-N 3.49Å; A392-L396 WeakPolarHBondContact O-CB 3.43Å; A392-L396 VanDerWaalsContact O-CG 3.26Å; A392-L396 WeakPolarHBondContact O-CG 3.36Å; A392-L396 PolarHBondContact O-N 2.95Å; A392-L400 HydrophobicContact CB-CB 4.02Å; A392-L400 HydrophobicContact CB-CD2 3.85Å; A392-L400 HydrophobicContact CB-CG 4.38Å; A392-M476 HydrophobicContact CB-CE 4.06Å; A392-L504 HydrophobicContact CB-CD1 4.05Å; A392-L504 HydrophobicContact CB-CD2 4.06Å
393	E	98.8	Very high	98.6	Very high	3 Å²	3	7 Å²	7	1%	0.014	3%	0.031	C	C	.	.	H	α-helix	trans	-63.9	-44.3	176.7	176.5	162.5	168.9	0	0	112.6	L288 Y367 C389 V390 F395 L396 G397 W398 P399	L288-E393 HydrophobicContact CD1-CG 3.97Å; Y367-E393 WeakPolarHBondContact CE1-OE2 3.49Å; Y367-E393 PolarHBondContact OH-OE2 3.27Å; C389-E393 WeakPolarHBondContact O-CB 3.41Å; C389-E393 PolarHBondContact O-N 3.43Å; V390-E393 PolarHBondContact O-N 2.97Å; E393-F395 VanDerWaalsContact C-N 3.25Å; E393-F395 PolarHBondContact O-N 3.28Å; E393-L396 PolarHBondContact O-N 3.17Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 2.99Å; E393-W398 WeakPolarHBondContact CA-O 3.48Å; E393-W398 PolarHBondContact O-N 2.72Å; E393-P399 WeakPolarHBondContact OE2-CA 3.49Å; E393-P399 WeakPolarHBondContact OE2-CB 3.36Å; E393-P399 WeakPolarHBondContact OE2-CG 3.27Å
394	L	98.6	Very high	98.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-58.7	-38.3	173.7	-65.4	169.8	0	0	0	111.7	L284 L288 L296 I301 I304 V390	L284-L394 HydrophobicContact CB-CD2 4.4Å; L284-L394 HydrophobicContact CD1-CD1 4.25Å; L284-L394 HydrophobicContact CD1-CD2 4.37Å; L288-L394 HydrophobicContact CD1-CD2 4.08Å; L288-L394 HydrophobicContact CD2-CD2 4.49Å; L288-L394 HydrophobicContact CG-CD2 4.2Å; L296-L394 WeakPolarHBondContact CB-O 3.43Å; L296-L394 HydrophobicContact CD2-CB 4.46Å; L296-L394 HydrophobicContact CD2-CD2 4.11Å; L296-L394 PolarHBondContact N-O 3.35Å; I301-L394 HydrophobicContact CD1-CB 3.8Å; I301-L394 HydrophobicContact CG1-CB 3.93Å; I301-L394 HydrophobicContact CG2-CD1 4.36Å; I304-L394 HydrophobicContact CD1-CD1 4.41Å; I304-L394 HydrophobicContact CG2-CD1 4.32Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 WeakPolarHBondContact O-CG 3.19Å; V390-L394 PolarHBondContact O-N 3.19Å
395	F	98.5	Very high	98.5	Very high	6 Å²	6	9.1 Å²	9.1	3%	0.026	5%	0.049	C	C	.	.	H	α-helix	trans	-74.4	-30.5	179.2	177.9	-103.7	0	0	0	113.6	P295 L298 I301 I391 A392 E393 M476 F500	P295-F395 WeakPolarHBondContact CB-O 3.27Å; L298-F395 HydrophobicContact CD2-CD2 3.59Å; L298-F395 HydrophobicContact CD2-CE2 3.91Å; L298-F395 HydrophobicContact CG-CD2 4.22Å; L298-F395 HydrophobicContact CG-CE2 4.17Å; I301-F395 HydrophobicContact CD1-CB 3.71Å; I301-F395 HydrophobicContact CD1-CD2 4.46Å; I391-F395 WeakPolarHBondContact O-CB 3.43Å; I391-F395 PolarHBondContact O-N 3.03Å; I391-F395 VanDerWaalsContact O-N 3.14Å; A392-F395 PolarHBondContact O-N 3.49Å; E393-F395 VanDerWaalsContact C-N 3.25Å; E393-F395 PolarHBondContact O-N 3.28Å; F395-M476 HydrophobicContact CD1-CE 3.88Å; F395-M476 HydrophobicContact CE1-CB 4.36Å; F395-M476 HydrophobicContact CE1-CE 4.34Å; F395-M476 WeakPolarHBondContact CE1-O 3.3Å; F395-F500 HydrophobicContact CB-CE1 3.94Å; F395-F500 HydrophobicContact CB-CZ 3.76Å; F395-F500 AromaticContact CD1-CE1 3.86Å; F395-F500 HydrophobicContact CD1-CE1 3.86Å; F395-F500 HydrophobicContact CD2-CE1 4.01Å; F395-F500 HydrophobicContact CD2-CZ 4.44Å; F395-F500 HydrophobicContact CE1-CE1 4.37Å; F395-F500 HydrophobicContact CE2-CE1 4.5Å; F395-F500 AromaticContact CG-CE1 3.65Å; F395-F500 HydrophobicContact CG-CE1 3.65Å; F395-F500 HydrophobicContact CG-CZ 4.01Å
396	L	98	Very high	98.5	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-94.7	-20.8	-179	-66.4	173.3	0	0	0	113.6	A392 E393 W398 L400 Y468 F470 M476 V479	A392-L396 WeakPolarHBondContact O-CB 3.43Å; A392-L396 VanDerWaalsContact O-CG 3.26Å; A392-L396 WeakPolarHBondContact O-CG 3.36Å; A392-L396 PolarHBondContact O-N 2.95Å; E393-L396 PolarHBondContact O-N 3.17Å; L396-W398 PolarHBondContact O-N 3.37Å; L396-L400 HydrophobicContact CD1-CD1 3.94Å; L396-Y468 HydrophobicContact CB-CD2 4.07Å; L396-Y468 HydrophobicContact CB-CE2 3.91Å; L396-Y468 HydrophobicContact CD1-CD2 4.32Å; L396-Y468 HydrophobicContact CD2-CD2 4.06Å; L396-Y468 HydrophobicContact CD2-CE2 4.23Å; L396-Y468 HydrophobicContact CD2-CG 4.36Å; L396-Y468 HydrophobicContact CG-CD2 4.38Å; L396-Y468 WeakPolarHBondContact O-CE2 3.36Å; L396-Y468 PolarHBondContact O-OH 3.48Å; L396-F470 HydrophobicContact CD1-CE2 3.95Å; L396-F470 HydrophobicContact CD1-CZ 4.5Å; L396-F470 HydrophobicContact CD2-CE2 4.11Å; L396-F470 HydrophobicContact CD2-CZ 3.85Å; L396-M476 HydrophobicContact CD1-CE 4.06Å; L396-M476 HydrophobicContact CD2-CE 4.3Å; L396-M476 HydrophobicContact CG-CE 4.15Å; L396-V479 HydrophobicContact CD2-CG1 3.91Å
397	G	97.8	Very high	98.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	19.8	-163.8	0	0	0	0	0	113.1	F293 E393	F293-G397 WeakPolarHBondContact CB-O 3.33Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 2.99Å
398	W	98.2	Very high	98.4	Very high	93 Å²	93	10.4 Å²	10.4	35%	0.352	6%	0.055	S	C	.	.	S	Bend	trans	-159.2	143	-178.5	-163.3	-95.8	0	0	0	110.5	E393 L396 L400 A465 K467 Y468	E393-W398 WeakPolarHBondContact CA-O 3.48Å; E393-W398 PolarHBondContact O-N 2.72Å; L396-W398 PolarHBondContact O-N 3.37Å; W398-L400 PolarHBondContact O-N 3.07Å; W398-A465 PolarHBondContact NE1-O 2.74Å; W398-A465 VanDerWaalsContact NE1-O 3.11Å; W398-K467 HydrophobicContact CB-CB 4.18Å; W398-K467 HydrophobicContact CB-CD 3.97Å; W398-K467 HydrophobicContact CD2-CB 3.84Å; W398-K467 HydrophobicContact CD2-CD 4.04Å; W398-K467 HydrophobicContact CE3-CD 4.16Å; W398-K467 HydrophobicContact CG-CB 3.58Å; W398-K467 HydrophobicContact CG-CD 3.99Å; W398-K467 HydrophobicContact CG-CG 4.46Å; W398-Y468 HydrophobicContact CB-CD2 4.38Å; W398-Y468 HydrophobicContact CB-CE2 4.22Å
399	P	98.6	Very high	98.4	Very high	19 Å²	19	10.4 Å²	10.4	12%	0.123	6%	0.055	C	C	.	.			trans	-55.5	133.3	177.8	-21.5	27.2	0	0	0	112.2	Y366 E393 Y401 P402	Y366-P399 HydrophobicContact CD2-CB 4.04Å; Y366-P399 HydrophobicContact CD2-CG 4.06Å; Y366-P399 HydrophobicContact CE2-CG 4.37Å; E393-P399 WeakPolarHBondContact OE2-CA 3.49Å; E393-P399 WeakPolarHBondContact OE2-CB 3.36Å; E393-P399 WeakPolarHBondContact OE2-CG 3.27Å; P399-Y401 PolarHBondContact O-N 2.96Å; P399-P402 HydrophobicContact CB-CB 4.21Å
400	L	98.6	Very high	98.4	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.037	5%	0.054	C	C	.	.	S	Bend	trans	-63.7	-41.9	-179.2	-179.7	65.4	0	0	0	111.9	A392 L396 W398 F470 L473 M476 L508	A392-L400 HydrophobicContact CB-CB 4.02Å; A392-L400 HydrophobicContact CB-CD2 3.85Å; A392-L400 HydrophobicContact CB-CG 4.38Å; L396-L400 HydrophobicContact CD1-CD1 3.94Å; W398-L400 PolarHBondContact O-N 3.07Å; L400-F470 HydrophobicContact CD1-CD2 4.12Å; L400-F470 HydrophobicContact CD1-CE2 4.17Å; L400-L473 HydrophobicContact CD2-CD2 4.21Å; L400-M476 HydrophobicContact CD1-SD 4.07Å; L400-L508 HydrophobicContact CD2-CD1 3.59Å
401	Y	98.8	Very high	98.4	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.008	6%	0.056	C	C	.	.			trans	-129	79.5	-178.4	-56.8	-44.7	0	0	0	111.1	Y366 W385 P399 G403 Q409 I413 T416 Q417 L508	Y366-Y401 WeakPolarHBondContact CA-O 3.34Å; Y366-Y401 WeakPolarHBondContact CB-O 3.46Å; W385-Y401 HydrophobicContact CH2-CE2 4.44Å; W385-Y401 HydrophobicContact CZ2-CD2 4.29Å; W385-Y401 HydrophobicContact CZ2-CE2 4.06Å; P399-Y401 PolarHBondContact O-N 2.96Å; Y401-G403 VanDerWaalsContact C-N 3.31Å; Y401-G403 PolarHBondContact O-N 3.12Å; Y401-G403 VanDerWaalsContact O-N 3.08Å; Y401-Q409 VanDerWaalsContact CB-NE2 3.3Å; Y401-Q409 PolarHBondContact O-NE2 3.42Å; Y401-Q409 PolarHBondContact O-OE1 2.68Å; Y401-I413 HydrophobicContact CD1-CG1 4.45Å; Y401-I413 HydrophobicContact CD2-CD1 4.43Å; Y401-I413 HydrophobicContact CD2-CG1 3.6Å; Y401-I413 HydrophobicContact CE2-CG1 3.74Å; Y401-I413 HydrophobicContact CG-CG1 3.98Å; Y401-T416 HydrophobicContact CE1-CG2 4.32Å; Y401-Q417 WeakPolarHBondContact OH-CG 3.26Å; Y401-Q417 PolarHBondContact OH-OE1 2.96Å; Y401-L508 HydrophobicContact CE2-CD1 4.39Å
402	P	98.4	Very high	98.4	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.026	6%	0.056	C	C	.	.			trans	-84.4	58.8	-177.3	33.5	-33.4	0	0	0	112.5	Y366 P399 A404 Y412 A465 R466	Y366-P402 VanDerWaalsContact CD1-CA 3.46Å; Y366-P402 HydrophobicContact CD1-CB 4.46Å; Y366-P402 HydrophobicContact CE1-CB 4.22Å; Y366-P402 HydrophobicContact CE2-CB 4.31Å; P399-P402 HydrophobicContact CB-CB 4.21Å; P402-A404 PolarHBondContact O-N 3.45Å; P402-Y412 HydrophobicContact CG-CE2 4.1Å; P402-Y412 WeakPolarHBondContact O-CE2 3.44Å; P402-A465 HydrophobicContact CB-CB 4.28Å; P402-A465 HydrophobicContact CG-CB 4.1Å; P402-A465 VanDerWaalsContact CG-O 3.28Å; P402-A465 WeakPolarHBondContact CG-O 3.49Å; P402-R466 HydrophobicContact CG-CB 4.49Å; P402-R466 HydrophobicContact CG-CG 3.83Å
403	G	98.3	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.			trans	-65.6	121.4	-172.8	0	0	0	0	0	113.6	R365 Y366 Y401 S405	R365-G403 WeakPolarHBondContact CD-O 3.2Å; R365-G403 PolarHBondContact NH1-O 3.39Å; Y366-G403 WeakPolarHBondContact CE1-O 3.35Å; Y401-G403 VanDerWaalsContact C-N 3.31Å; Y401-G403 PolarHBondContact O-N 3.12Å; Y401-G403 VanDerWaalsContact O-N 3.08Å; G403-S405 PolarHBondContact O-N 2.98Å
404	A	97.3	Very high	98.4	Very high	40 Å²	40	11.2 Å²	11.2	33%	0.331	6%	0.059	S	C	.	.	S	Bend	trans	-66.9	-26.9	174.9	0	0	0	0	0	112.7	R365 P402 K463	R365-A404 PolarHBondContact NH1-O 2.96Å; P402-A404 PolarHBondContact O-N 3.45Å; A404-K463 HydrophobicContact CB-CB 3.95Å; A404-K463 HydrophobicContact CB-CD 4.15Å; A404-K463 HydrophobicContact CB-CG 4.26Å
405	S	97.9	Very high	98.3	Very high	10 Å²	10	15.7 Å²	15.7	7%	0.07	8%	0.08	C	C	.	.	S	Bend	trans	-134.5	168.3	177.8	64.7	0	0	0	0	110.7	G403 Y407 D408 Q409	G403-S405 PolarHBondContact O-N 2.98Å; S405-Y407 PolarHBondContact O-N 3.03Å; S405-D408 PolarHBondContact O-N 2.85Å; S405-D408 PolarHBondContact OG-N 3.49Å; S405-D408 PolarHBondContact OG-OD2 2.7Å; S405-Q409 WeakPolarHBondContact O-CB 3.36Å; S405-Q409 PolarHBondContact O-N 3.3Å
406	E	97.8	Very high	98.3	Very high	26 Å²	26	15.6 Å²	15.6	12%	0.121	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-33.1	171.2	-70.1	-154.1	119.9	0	0	112	R368 I373 Q409 I410 K430 F434	R368-E406 IonicContact CZ-OE1 2.63Å; R368-E406 IonicContact NH1-OE1 2.63Å; R368-E406 PolarHBondContact NH1-OE1 3.04Å; I373-E406 HydrophobicContact CG2-CB 4.32Å; E406-Q409 WeakPolarHBondContact O-CB 3.3Å; E406-Q409 PolarHBondContact O-N 3.37Å; E406-I410 PolarHBondContact O-N 2.94Å; E406-I410 VanDerWaalsContact O-N 3.09Å; E406-K430 VanDerWaalsContact CD-NZ 3.27Å; E406-K430 IonicContact OE1-NZ 2.71Å; E406-K430 PolarHBondContact OE1-NZ 3.38Å; E406-K430 VanDerWaalsContact OE2-CE 3.27Å; E406-K430 WeakPolarHBondContact OE2-CE 3.43Å; E406-K430 IonicContact OE2-NZ 3.72Å; E406-K430 PolarHBondContact OE2-NZ 3.01Å; E406-F434 HydrophobicContact CB-CE1 3.72Å; E406-F434 HydrophobicContact CB-CZ 3.89Å
407	Y	98.6	Very high	98.4	Very high	2 Å²	2	18 Å²	18	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-47.2	173.6	171.1	-100.8	0	0	0	112	S405 Q409 I410 R411 F434 L448 K449 P451 H454 S462	S405-Y407 PolarHBondContact O-N 3.03Å; Y407-Q409 VanDerWaalsContact C-N 3.28Å; Y407-Q409 PolarHBondContact O-N 3.34Å; Y407-I410 WeakPolarHBondContact O-CG2 3.47Å; Y407-I410 PolarHBondContact O-N 3.2Å; Y407-R411 WeakPolarHBondContact O-CB 3.43Å; Y407-R411 PolarHBondContact O-N 3.41Å; Y407-F434 HydrophobicContact CD2-CB 4.27Å; Y407-F434 HydrophobicContact CD2-CD1 4.41Å; Y407-L448 HydrophobicContact CE2-CD1 4.23Å; Y407-L448 HydrophobicContact CE2-CD2 4.46Å; Y407-L448 HydrophobicContact CE2-CG 4.12Å; Y407-K449 HydrophobicContact CE2-CB 4.14Å; Y407-K449 PolarHBondContact OH-O 3.47Å; Y407-P451 HydrophobicContact CE1-CB 4.48Å; Y407-P451 HydrophobicContact CE1-CG 4.46Å; Y407-P451 WeakPolarHBondContact OH-CD 3.35Å; Y407-H454 VanDerWaalsContact CB-CE1 3.48Å; Y407-H454 WeakPolarHBondContact CB-CE1 3.48Å; Y407-H454 VanDerWaalsContact CB-NE2 3.31Å; Y407-H454 WeakPolarHBondContact CB-NE2 3.22Å; Y407-H454 HydrophobicContact CD1-CB 4.12Å; Y407-H454 AromaticContact CD1-CG 3.76Å; Y407-H454 AromaticContact CD1-ND1 3.69Å; Y407-H454 HydrophobicContact CD2-CB 4.05Å; Y407-H454 AromaticContact CD2-CD2 3.68Å; Y407-H454 AromaticContact CD2-CG 3.79Å; Y407-H454 HydrophobicContact CE1-CB 4.09Å; Y407-H454 HydrophobicContact CE2-CB 4.01Å; Y407-H454 HydrophobicContact CG-CB 4.12Å; Y407-H454 AromaticContact CG-CD2 3.57Å; Y407-H454 AromaticContact CG-CE1 3.85Å; Y407-H454 AromaticContact CG-CG 3.53Å; Y407-H454 AromaticContact CG-ND1 3.72Å; Y407-H454 AromaticContact CG-NE2 3.77Å; Y407-S462 WeakPolarHBondContact CD1-OG 2.8Å; Y407-S462 VanDerWaalsContact CE1-OG 3.25Å; Y407-S462 WeakPolarHBondContact CE1-OG 3.43Å
408	D	98.6	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-37.2	176.4	-65.9	-51.6	0	0	0	111.7	S405 R411 Y412 S462	S405-D408 PolarHBondContact O-N 2.85Å; S405-D408 PolarHBondContact OG-N 3.49Å; S405-D408 PolarHBondContact OG-OD2 2.7Å; D408-R411 PolarHBondContact O-N 3.16Å; D408-R411 IonicContact OD1-CZ 2.75Å; D408-R411 IonicContact OD1-NE 3.84Å; D408-R411 PolarHBondContact OD1-NE 3.35Å; D408-R411 IonicContact OD1-NH2 3.62Å; D408-R411 PolarHBondContact OD1-NH2 3.01Å; D408-Y412 WeakPolarHBondContact O-CB 3.41Å; D408-Y412 WeakPolarHBondContact O-CD1 3.38Å; D408-Y412 WeakPolarHBondContact O-CD2 3.34Å; D408-Y412 PolarHBondContact O-N 2.98Å; D408-S462 WeakPolarHBondContact OD1-CA 3.42Å; D408-S462 WeakPolarHBondContact OD1-CB 3.35Å; D408-S462 PolarHBondContact OD1-OG 3.1Å
409	Q	98.8	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-53.7	175.6	-165.4	67.4	27.6	0	0	111.3	R365 Y366 I373 Y401 S405 E406 Y407 Y412 I413	R365-Q409 HydrophobicContact CG-CB 4.49Å; R365-Q409 HydrophobicContact CG-CG 4.41Å; R365-Q409 PolarHBondContact O-NE2 2.78Å; R365-Q409 PolarHBondContact O-OE1 2.9Å; Y366-Q409 PolarHBondContact O-NE2 3.11Å; Y366-Q409 VanDerWaalsContact O-NE2 3.16Å; I373-Q409 HydrophobicContact CD1-CB 4.11Å; I373-Q409 HydrophobicContact CD1-CG 3.63Å; Y401-Q409 VanDerWaalsContact CB-NE2 3.3Å; Y401-Q409 PolarHBondContact O-NE2 3.42Å; Y401-Q409 PolarHBondContact O-OE1 2.68Å; S405-Q409 WeakPolarHBondContact O-CB 3.36Å; S405-Q409 PolarHBondContact O-N 3.3Å; E406-Q409 WeakPolarHBondContact O-CB 3.3Å; E406-Q409 PolarHBondContact O-N 3.37Å; Y407-Q409 VanDerWaalsContact C-N 3.28Å; Y407-Q409 PolarHBondContact O-N 3.34Å; Q409-Y412 PolarHBondContact O-N 2.94Å; Q409-I413 HydrophobicContact CG-CD1 4.35Å; Q409-I413 WeakPolarHBondContact O-CD1 3.26Å; Q409-I413 VanDerWaalsContact O-CG1 3.31Å; Q409-I413 WeakPolarHBondContact O-CG1 3.25Å; Q409-I413 PolarHBondContact O-N 3.29Å
410	I	98.7	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-73.4	-27.2	180	-161.4	63.8	0	0	0	112.6	P370 I373 E406 Y407 I413 S414 P420 F434 F435 L448	P370-I410 HydrophobicContact CB-CD1 4.4Å; I373-I410 HydrophobicContact CD1-CB 4.41Å; I373-I410 HydrophobicContact CD1-CD1 4.34Å; I373-I410 HydrophobicContact CG2-CB 4.07Å; I373-I410 HydrophobicContact CG2-CG2 4.46Å; E406-I410 PolarHBondContact O-N 2.94Å; E406-I410 VanDerWaalsContact O-N 3.09Å; Y407-I410 WeakPolarHBondContact O-CG2 3.47Å; Y407-I410 PolarHBondContact O-N 3.2Å; I410-I413 HydrophobicContact CD1-CB 4.47Å; I410-I413 HydrophobicContact CD1-CD1 4.33Å; I410-S414 WeakPolarHBondContact O-CB 3.48Å; I410-S414 PolarHBondContact O-N 2.89Å; I410-S414 PolarHBondContact O-OG 3.38Å; I410-P420 HydrophobicContact CD1-CG 4.06Å; I410-F434 HydrophobicContact CG2-CB 3.83Å; I410-F434 HydrophobicContact CG2-CD1 4.26Å; I410-F434 HydrophobicContact CG2-CD2 4.39Å; I410-F434 HydrophobicContact CG2-CG 3.9Å; I410-F435 HydrophobicContact CG1-CE2 3.96Å; I410-F435 HydrophobicContact CG1-CZ 3.82Å; I410-F435 HydrophobicContact CG2-CE2 4.4Å; I410-L448 HydrophobicContact CG2-CD1 4.34Å
411	R	98.6	Very high	98.1	Very high	13 Å²	13	19.3 Å²	19.3	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-47	170.5	176.1	174.6	65.8	85.9	-8	111.4	Y407 D408 S414 Q415 L448 K463 E464	Y407-R411 WeakPolarHBondContact O-CB 3.43Å; Y407-R411 PolarHBondContact O-N 3.41Å; D408-R411 PolarHBondContact O-N 3.16Å; D408-R411 IonicContact OD1-CZ 2.75Å; D408-R411 IonicContact OD1-NE 3.84Å; D408-R411 PolarHBondContact OD1-NE 3.35Å; D408-R411 IonicContact OD1-NH2 3.62Å; D408-R411 PolarHBondContact OD1-NH2 3.01Å; R411-S414 PolarHBondContact O-N 2.62Å; R411-Q415 WeakPolarHBondContact O-CB 3.49Å; R411-Q415 VanDerWaalsContact O-CG 3.3Å; R411-Q415 WeakPolarHBondContact O-CG 3.48Å; R411-Q415 PolarHBondContact O-N 3.4Å; R411-L448 HydrophobicContact CB-CD2 3.88Å; R411-L448 HydrophobicContact CG-CD2 3.88Å; R411-K463 PolarHBondContact NH2-O 3.49Å; R411-E464 IonicContact CZ-OE2 2.69Å; R411-E464 IonicContact NH1-OE2 2.8Å; R411-E464 PolarHBondContact NH1-OE2 2.88Å; R411-E464 IonicContact NH2-OE2 2.67Å
412	Y	98.8	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-47.8	178.6	-65.9	-19.6	0	0	0	112.1	P402 D408 Q409 S414 Q415 T416 K463 E464 A465 R466	P402-Y412 HydrophobicContact CG-CE2 4.1Å; P402-Y412 WeakPolarHBondContact O-CE2 3.44Å; D408-Y412 WeakPolarHBondContact O-CB 3.41Å; D408-Y412 WeakPolarHBondContact O-CD1 3.38Å; D408-Y412 WeakPolarHBondContact O-CD2 3.34Å; D408-Y412 PolarHBondContact O-N 2.98Å; Q409-Y412 PolarHBondContact O-N 2.94Å; Y412-S414 VanDerWaalsContact C-N 3.3Å; Y412-S414 PolarHBondContact O-N 2.82Å; Y412-Q415 PolarHBondContact O-N 3.4Å; Y412-T416 PolarHBondContact O-N 3.39Å; Y412-T416 VanDerWaalsContact O-N 3.16Å; Y412-K463 PolarHBondContact OH-O 2.71Å; Y412-K463 VanDerWaalsContact OH-O 3.09Å; Y412-E464 WeakPolarHBondContact CE1-OE1 3.47Å; Y412-E464 WeakPolarHBondContact CE1-OE2 3.43Å; Y412-E464 WeakPolarHBondContact OH-CA 3.48Å; Y412-E464 PolarHBondContact OH-OE1 2.84Å; Y412-A465 PolarHBondContact OH-N 2.68Å; Y412-R466 VanDerWaalsContact CD1-NE 3.31Å; Y412-R466 HydrophobicContact CD2-CG 4.24Å; Y412-R466 HydrophobicContact CE1-CG 4.4Å; Y412-R466 VanDerWaalsContact CE1-NE 3.34Å; Y412-R466 HydrophobicContact CE2-CG 4.05Å; Y412-R466 HydrophobicContact CG-CG 4.48Å
413	I	98.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.4	-48.5	174.3	-65.9	164.4	0	0	0	109.8	I373 W385 Y401 Q409 I410 Q415 T416 Q417 L510	I373-I413 HydrophobicContact CD1-CD1 4.04Å; W385-I413 HydrophobicContact CH2-CD1 4.29Å; W385-I413 HydrophobicContact CH2-CG1 4.31Å; W385-I413 HydrophobicContact CH2-CG2 3.9Å; W385-I413 HydrophobicContact CZ2-CD1 3.67Å; W385-I413 HydrophobicContact CZ2-CG1 3.91Å; W385-I413 HydrophobicContact CZ2-CG2 4.34Å; Y401-I413 HydrophobicContact CD1-CG1 4.45Å; Y401-I413 HydrophobicContact CD2-CD1 4.43Å; Y401-I413 HydrophobicContact CD2-CG1 3.6Å; Y401-I413 HydrophobicContact CE2-CG1 3.74Å; Y401-I413 HydrophobicContact CG-CG1 3.98Å; Q409-I413 HydrophobicContact CG-CD1 4.35Å; Q409-I413 WeakPolarHBondContact O-CD1 3.26Å; Q409-I413 VanDerWaalsContact O-CG1 3.31Å; Q409-I413 WeakPolarHBondContact O-CG1 3.25Å; Q409-I413 PolarHBondContact O-N 3.29Å; I410-I413 HydrophobicContact CD1-CB 4.47Å; I410-I413 HydrophobicContact CD1-CD1 4.33Å; I413-Q415 VanDerWaalsContact C-N 3.32Å; I413-Q415 PolarHBondContact O-N 2.9Å; I413-T416 PolarHBondContact O-N 2.96Å; I413-Q417 WeakPolarHBondContact O-CB 3.14Å; I413-Q417 PolarHBondContact O-N 2.97Å; I413-L510 HydrophobicContact CG2-CD2 3.39Å
414	S	98.4	Very high	97.7	Very high	12 Å²	12	24.6 Å²	24.6	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-33.6	-179.4	-60.6	0	0	0	0	113.7	I410 R411 Y412 G418	I410-S414 WeakPolarHBondContact O-CB 3.48Å; I410-S414 PolarHBondContact O-N 2.89Å; I410-S414 PolarHBondContact O-OG 3.38Å; R411-S414 PolarHBondContact O-N 2.62Å; Y412-S414 VanDerWaalsContact C-N 3.3Å; Y412-S414 PolarHBondContact O-N 2.82Å; S414-G418 WeakPolarHBondContact CA-O 3.14Å; S414-G418 CarbonylContact O-C 3.13Å; S414-G418 VanDerWaalsContact O-C 3.27Å; S414-G418 VanDerWaalsContact O-CA 3.23Å; S414-G418 WeakPolarHBondContact O-CA 3.43Å; S414-G418 PolarHBondContact O-N 3.16Å; S414-G418 VanDerWaalsContact O-N 3.11Å
415	Q	98.1	Very high	97.7	Very high	95 Å²	95	22.8 Å²	22.8	44%	0.444	12%	0.124	S	C	.	.	H	α-helix	trans	-74.7	-31.9	179.4	-78.6	178.8	-21.5	0	0	113.2	R411 Y412 I413	R411-Q415 WeakPolarHBondContact O-CB 3.49Å; R411-Q415 VanDerWaalsContact O-CG 3.3Å; R411-Q415 WeakPolarHBondContact O-CG 3.48Å; R411-Q415 PolarHBondContact O-N 3.4Å; Y412-Q415 PolarHBondContact O-N 3.4Å; I413-Q415 VanDerWaalsContact C-N 3.32Å; I413-Q415 PolarHBondContact O-N 2.9Å
416	T	98.4	Very high	97.6	Very high	4 Å²	4	25 Å²	25	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-99.8	-12.9	-176.9	-61.6	0	0	0	0	113.5	Y401 Y412 I413 F470 C472 L473	Y401-T416 HydrophobicContact CE1-CG2 4.32Å; Y412-T416 PolarHBondContact O-N 3.39Å; Y412-T416 VanDerWaalsContact O-N 3.16Å; I413-T416 PolarHBondContact O-N 2.96Å; T416-F470 WeakPolarHBondContact CA-O 3.43Å; T416-F470 WeakPolarHBondContact CB-O 3.09Å; T416-F470 HydrophobicContact CG2-CB 3.86Å; T416-F470 PolarHBondContact OG1-O 2.98Å; T416-C472 WeakPolarHBondContact O-CA 3.44Å; T416-L473 HydrophobicContact CG2-CD2 3.9Å; T416-L473 HydrophobicContact CG2-CG 4.31Å
417	Q	98.3	Very high	97.6	Very high	52 Å²	52	26.7 Å²	26.7	24%	0.243	16%	0.158	C	C	.	.	H	α-helix	trans	-130.6	0.4	-176.6	-56.8	-166.7	-121.5	0	0	114.8	Y401 I413 L473 L508 L510	Y401-Q417 WeakPolarHBondContact OH-CG 3.26Å; Y401-Q417 PolarHBondContact OH-OE1 2.96Å; I413-Q417 WeakPolarHBondContact O-CB 3.14Å; I413-Q417 PolarHBondContact O-N 2.97Å; Q417-L473 HydrophobicContact CG-CD1 4.19Å; Q417-L473 HydrophobicContact CG-CG 4.31Å; Q417-L508 PolarHBondContact NE2-O 3.18Å; Q417-L510 HydrophobicContact CB-CD1 4.3Å; Q417-L510 HydrophobicContact CB-CD2 4.37Å
418	G	97.4	Very high	97.5	Very high	39 Å²	39	27 Å²	27	40%	0.402	16%	0.162	S	C	.	.			trans	77.9	165.9	-165.1	0	0	0	0	0	112	S414	S414-G418 WeakPolarHBondContact CA-O 3.14Å; S414-G418 CarbonylContact O-C 3.13Å; S414-G418 VanDerWaalsContact O-C 3.27Å; S414-G418 VanDerWaalsContact O-CA 3.23Å; S414-G418 WeakPolarHBondContact O-CA 3.43Å; S414-G418 PolarHBondContact O-N 3.16Å; S414-G418 VanDerWaalsContact O-N 3.11Å
419	L	96.8	Very high	97.5	Very high	74 Å²	74	31.1 Å²	31.1	39%	0.387	19%	0.187	S	C	.	.	S	Bend	trans	-57.1	148.1	176.1	-57.4	170.4	0	0	0	110	A421 F435 L448	L419-A421 PolarHBondContact O-N 3.08Å; L419-F435 HydrophobicContact CD2-CE1 3.93Å; L419-L448 HydrophobicContact CD2-CB 4.13Å
420	P	97.5	Very high	97.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-49.9	135.5	167.8	-24.4	33.9	0	0	0	110.2	L374 I410 E422 L424 L425 F435	L374-P420 HydrophobicContact CD1-CB 4.18Å; L374-P420 HydrophobicContact CD1-CG 4.32Å; I410-P420 HydrophobicContact CD1-CG 4.06Å; P420-E422 PolarHBondContact O-N 3.19Å; P420-L424 HydrophobicContact CB-CB 4.37Å; P420-L425 HydrophobicContact CB-CD2 3.87Å; P420-L425 HydrophobicContact CB-CG 4.32Å; P420-L425 HydrophobicContact CG-CD2 4.03Å; P420-F435 HydrophobicContact CG-CZ 4.12Å
421	A	96.2	Very high	97.3	Very high	31 Å²	31	32.2 Å²	32.2	26%	0.256	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-53.9	131.1	-177.4	0	0	0	0	0	109.4	T108 L419 Y423 L424	T108-A421 HydrophobicContact CG2-CB 3.66Å; L419-A421 PolarHBondContact O-N 3.08Å; A421-Y423 VanDerWaalsContact C-N 3.31Å; A421-Y423 PolarHBondContact O-N 2.97Å; A421-L424 HydrophobicContact CB-CD1 3.91Å; A421-L424 WeakPolarHBondContact O-CB 3.41Å; A421-L424 VanDerWaalsContact O-CD1 3.26Å; A421-L424 WeakPolarHBondContact O-CD1 3.49Å; A421-L424 PolarHBondContact O-N 3.12Å
422	E	94.4	Very high	97.2	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-47.7	-156.7	-97.2	-173.6	-172.4	0	0	113	E111 P420 L424 L425 Y443 L445	E111-E422 HydrophobicContact CB-CB 3.7Å; E111-E422 HydrophobicContact CG-CB 4.32Å; E111-E422 VanDerWaalsContact OE1-O 3.11Å; E111-E422 VanDerWaalsContact OE2-CA 3.25Å; E111-E422 WeakPolarHBondContact OE2-CA 3.41Å; E111-E422 WeakPolarHBondContact OE2-CB 3.49Å; E111-E422 WeakPolarHBondContact OE2-CG 3.21Å; P420-E422 PolarHBondContact O-N 3.19Å; E422-L424 VanDerWaalsContact C-N 3.26Å; E422-L424 PolarHBondContact O-N 2.94Å; E422-L425 WeakPolarHBondContact O-CA 3.44Å; E422-L425 VanDerWaalsContact O-CB 3.22Å; E422-L425 WeakPolarHBondContact O-CB 3.33Å; E422-L425 PolarHBondContact O-N 2.76Å; E422-Y443 VanDerWaalsContact OE2-CE2 3.25Å; E422-Y443 WeakPolarHBondContact OE2-CE2 3.49Å; E422-L445 PolarHBondContact OE1-N 3.48Å; E422-L445 WeakPolarHBondContact OE2-CB 3.5Å
423	Y	95.7	Very high	97.1	Very high	84 Å²	84	40.4 Å²	40.4	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-67.3	-6.5	-179.9	75.8	-19	0	0	0	118.7	T108 S109 S110 A421 L425 A427	T108-Y423 VanDerWaalsContact C-CE1 3.44Å; T108-Y423 HydrophobicContact CG2-CD1 4.35Å; T108-Y423 HydrophobicContact CG2-CE1 3.78Å; S109-Y423 VanDerWaalsContact C-CB 3.45Å; S109-Y423 WeakPolarHBondContact CA-OH 3.43Å; S109-Y423 WeakPolarHBondContact CB-OH 3.49Å; S109-Y423 PolarHBondContact N-OH 2.81Å; S109-Y423 VanDerWaalsContact N-OH 3.07Å; S109-Y423 WeakPolarHBondContact O-CD1 3.4Å; S109-Y423 WeakPolarHBondContact O-CE1 3.26Å; S109-Y423 VanDerWaalsContact O-CG 3.31Å; S109-Y423 WeakPolarHBondContact OG-CD1 3.32Å; S109-Y423 WeakPolarHBondContact OG-CE1 3.45Å; S109-Y423 WeakPolarHBondContact OG-CE2 3.39Å; S109-Y423 PolarHBondContact OG-OH 3.27Å; S110-Y423 VanDerWaalsContact N-CB 3.34Å; S110-Y423 WeakPolarHBondContact O-CB 3.43Å; A421-Y423 VanDerWaalsContact C-N 3.31Å; A421-Y423 PolarHBondContact O-N 2.97Å; Y423-L425 VanDerWaalsContact C-N 3.3Å; Y423-A427 WeakPolarHBondContact O-CB 3.45Å
424	L	97.6	Very high	97.1	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-31.5	160.9	-75.8	103.8	0	0	0	111.8	S109 L374 L376 P420 A421 E422 G428 D511	S109-L424 WeakPolarHBondContact OG-CD2 3.27Å; L374-L424 HydrophobicContact CD1-CB 4.01Å; L376-L424 HydrophobicContact CD1-CB 3.89Å; L376-L424 HydrophobicContact CD1-CD2 3.88Å; L376-L424 HydrophobicContact CD1-CG 4.02Å; P420-L424 HydrophobicContact CB-CB 4.37Å; A421-L424 HydrophobicContact CB-CD1 3.91Å; A421-L424 WeakPolarHBondContact O-CB 3.41Å; A421-L424 VanDerWaalsContact O-CD1 3.26Å; A421-L424 WeakPolarHBondContact O-CD1 3.49Å; A421-L424 PolarHBondContact O-N 3.12Å; E422-L424 VanDerWaalsContact C-N 3.26Å; E422-L424 PolarHBondContact O-N 2.94Å; L424-G428 PolarHBondContact O-N 2.73Å; L424-D511 HydrophobicContact CD1-CB 4.18Å
425	L	97.3	Very high	97	Very high	2 Å²	2	40 Å²	40	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-74.4	-49.8	-173.2	-58.4	178.4	0	0	0	111.3	L374 P420 E422 Y423 A427 G428 T431 F435 W446	L374-L425 HydrophobicContact CD1-CD2 4.05Å; L374-L425 HydrophobicContact CD2-CD2 3.89Å; P420-L425 HydrophobicContact CB-CD2 3.87Å; P420-L425 HydrophobicContact CB-CG 4.32Å; P420-L425 HydrophobicContact CG-CD2 4.03Å; E422-L425 WeakPolarHBondContact O-CA 3.44Å; E422-L425 VanDerWaalsContact O-CB 3.22Å; E422-L425 WeakPolarHBondContact O-CB 3.33Å; E422-L425 PolarHBondContact O-N 2.76Å; Y423-L425 VanDerWaalsContact C-N 3.3Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 2.62Å; L425-G428 PolarHBondContact O-N 3.17Å; L425-T431 HydrophobicContact CB-CG2 3.76Å; L425-T431 HydrophobicContact CD2-CG2 4.06Å; L425-T431 HydrophobicContact CG-CG2 4.49Å; L425-T431 WeakPolarHBondContact O-CB 3.47Å; L425-T431 VanDerWaalsContact O-CG2 3.3Å; L425-T431 WeakPolarHBondContact O-CG2 3.48Å; L425-T431 PolarHBondContact O-OG1 3.15Å; L425-F435 HydrophobicContact CD1-CD1 4.24Å; L425-F435 HydrophobicContact CD1-CE1 4.36Å; L425-F435 HydrophobicContact CD2-CD1 4.31Å; L425-F435 HydrophobicContact CD2-CD2 3.96Å; L425-F435 HydrophobicContact CD2-CE1 4.12Å; L425-F435 HydrophobicContact CD2-CE2 3.78Å; L425-F435 HydrophobicContact CD2-CG 4.25Å; L425-F435 HydrophobicContact CD2-CZ 3.87Å; L425-W446 HydrophobicContact CB-CD2 4.33Å; L425-W446 HydrophobicContact CB-CG 4.01Å; L425-W446 HydrophobicContact CD1-CB 3.69Å; L425-W446 HydrophobicContact CD1-CG 3.94Å
426	S	95.4	Very high	96.9	Very high	57 Å²	57	37.6 Å²	37.6	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-72.3	-23.1	176.6	-74.9	0	0	0	0	113.8	E111 R437	E111-S426 VanDerWaalsContact OE1-CA 3.23Å; E111-S426 WeakPolarHBondContact OE1-CA 3.31Å; E111-S426 WeakPolarHBondContact OE1-CB 3.21Å; E111-S426 PolarHBondContact OE1-N 3.1Å; E111-S426 PolarHBondContact OE1-OG 3.26Å; S426-R437 PolarHBondContact OG-NH1 3.03Å
427	A	96.7	Very high	96.5	Very high	61 Å²	61	42.4 Å²	42.4	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-80	-22	171.4	0	0	0	0	0	112.4	L376 Y423 L425 T429	L376-A427 VanDerWaalsContact CD2-C 3.4Å; L376-A427 HydrophobicContact CD2-CB 3.49Å; L376-A427 VanDerWaalsContact CD2-CB 3.49Å; Y423-A427 WeakPolarHBondContact O-CB 3.45Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 2.62Å; A427-T429 PolarHBondContact O-N 3.18Å
428	G	97.3	Very high	95.6	Very high	9 Å²	9	40.3 Å²	40.3	9%	0.093	23%	0.23	C	C	.	.			trans	-76.5	114.5	-176.8	0	0	0	0	0	113.5	L374 L424 L425 K430 T431	L374-G428 CarbonylContact O-C 3.56Å; L374-G428 WeakPolarHBondContact O-CA 3.49Å; L424-G428 PolarHBondContact O-N 2.73Å; L425-G428 PolarHBondContact O-N 3.17Å; G428-K430 PolarHBondContact O-N 3.09Å; G428-T431 WeakPolarHBondContact CA-OG1 3.49Å; G428-T431 WeakPolarHBondContact O-CB 3.48Å; G428-T431 PolarHBondContact O-N 2.96Å; G428-T431 VanDerWaalsContact O-N 3.14Å; G428-T431 PolarHBondContact O-OG1 3.47Å; G428-T431 VanDerWaalsContact O-OG1 3.06Å
429	T	97.6	Very high	94.7	Very high	86 Å²	86	40.5 Å²	40.5	53%	0.528	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.4	179.5	62.1	0	0	0	0	113.8	S359 L374 G375 A427	S359-T429 PolarHBondContact OG-OG1 3.37Å; L374-T429 PolarHBondContact O-N 2.84Å; L374-T429 VanDerWaalsContact O-N 3.11Å; G375-T429 WeakPolarHBondContact CA-OG1 3.36Å; G375-T429 PolarHBondContact O-OG1 3.27Å; G375-T429 VanDerWaalsContact O-OG1 3.09Å; A427-T429 PolarHBondContact O-N 3.18Å
430	K	97.5	Very high	93.3	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.096	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.7	-179.5	-62.3	167	62	-164.6	0	113.2	I372 I373 L374 E406 G428 S432 R433 F434	I372-K430 PolarHBondContact O-NZ 2.87Å; I372-K430 VanDerWaalsContact O-NZ 3.15Å; I373-K430 WeakPolarHBondContact O-CB 3.31Å; I373-K430 VanDerWaalsContact O-CD 3.3Å; I373-K430 WeakPolarHBondContact O-CD 3.49Å; I373-K430 WeakPolarHBondContact O-CE 3.15Å; I373-K430 PolarHBondContact O-NZ 3.45Å; L374-K430 WeakPolarHBondContact O-CB 3.45Å; L374-K430 PolarHBondContact O-N 3.46Å; E406-K430 VanDerWaalsContact CD-NZ 3.27Å; E406-K430 IonicContact OE1-NZ 2.71Å; E406-K430 PolarHBondContact OE1-NZ 3.38Å; E406-K430 VanDerWaalsContact OE2-CE 3.27Å; E406-K430 WeakPolarHBondContact OE2-CE 3.43Å; E406-K430 IonicContact OE2-NZ 3.72Å; E406-K430 PolarHBondContact OE2-NZ 3.01Å; G428-K430 PolarHBondContact O-N 3.09Å; K430-S432 VanDerWaalsContact C-N 3.28Å; K430-S432 PolarHBondContact O-N 3.28Å; K430-R433 VanDerWaalsContact O-CB 3.3Å; K430-R433 WeakPolarHBondContact O-CB 3.35Å; K430-R433 WeakPolarHBondContact O-CG 3.36Å; K430-R433 PolarHBondContact O-N 2.75Å; K430-F434 HydrophobicContact CB-CE2 4.01Å; K430-F434 WeakPolarHBondContact O-CE2 3.21Å
431	T	97.5	Very high	91.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-52.4	-43.1	-173.2	-66.2	0	0	0	0	113.5	L425 G428 R433 F434 F435 W446	L425-T431 HydrophobicContact CB-CG2 3.76Å; L425-T431 HydrophobicContact CD2-CG2 4.06Å; L425-T431 HydrophobicContact CG-CG2 4.49Å; L425-T431 WeakPolarHBondContact O-CB 3.47Å; L425-T431 VanDerWaalsContact O-CG2 3.3Å; L425-T431 WeakPolarHBondContact O-CG2 3.48Å; L425-T431 PolarHBondContact O-OG1 3.15Å; G428-T431 WeakPolarHBondContact CA-OG1 3.49Å; G428-T431 WeakPolarHBondContact O-CB 3.48Å; G428-T431 PolarHBondContact O-N 2.96Å; G428-T431 VanDerWaalsContact O-N 3.14Å; G428-T431 PolarHBondContact O-OG1 3.47Å; G428-T431 VanDerWaalsContact O-OG1 3.06Å; T431-R433 PolarHBondContact O-N 2.88Å; T431-F434 PolarHBondContact O-N 2.97Å; T431-F435 HydrophobicContact CG2-CB 3.97Å; T431-F435 HydrophobicContact CG2-CD2 3.92Å; T431-F435 HydrophobicContact CG2-CG 4.23Å; T431-F435 PolarHBondContact O-N 2.89Å; T431-W446 HydrophobicContact CG2-CD2 4.06Å; T431-W446 HydrophobicContact CG2-CE3 3.92Å; T431-W446 HydrophobicContact CG2-CH2 3.71Å; T431-W446 HydrophobicContact CG2-CZ2 3.85Å; T431-W446 HydrophobicContact CG2-CZ3 3.75Å
432	S	96.2	Very high	90.5	Very high	74 Å²	74	47 Å²	47	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-19.9	180	53.6	0	0	0	0	114.1	K430 K449	K430-S432 VanDerWaalsContact C-N 3.28Å; K430-S432 PolarHBondContact O-N 3.28Å; S432-K449 VanDerWaalsContact O-CE 3.27Å; S432-K449 WeakPolarHBondContact O-CE 3.38Å; S432-K449 PolarHBondContact O-NZ 2.74Å
433	R	96.9	Very high	89.4	Confident	111 Å²	111	54 Å²	54	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-69.6	-33.7	174.4	-57.1	-176.9	74.7	175.8	2.4	111.9	K430 T431 K449	K430-R433 VanDerWaalsContact O-CB 3.3Å; K430-R433 WeakPolarHBondContact O-CB 3.35Å; K430-R433 WeakPolarHBondContact O-CG 3.36Å; K430-R433 PolarHBondContact O-N 2.75Å; T431-R433 PolarHBondContact O-N 2.88Å; R433-K449 WeakPolarHBondContact O-CD 3.33Å; R433-K449 WeakPolarHBondContact O-CE 3.38Å; R433-K449 PolarHBondContact O-NZ 3.18Å
434	F	97.9	Very high	88.3	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-112.9	-24.1	-171.4	-37.1	-69.3	0	0	0	114	I373 E406 Y407 I410 K430 T431 K449	I373-F434 HydrophobicContact CG2-CD2 4.34Å; I373-F434 HydrophobicContact CG2-CE2 3.74Å; I373-F434 HydrophobicContact CG2-CZ 3.86Å; I373-F434 WeakPolarHBondContact O-CE2 3.39Å; E406-F434 HydrophobicContact CB-CE1 3.72Å; E406-F434 HydrophobicContact CB-CZ 3.89Å; Y407-F434 HydrophobicContact CD2-CB 4.27Å; Y407-F434 HydrophobicContact CD2-CD1 4.41Å; I410-F434 HydrophobicContact CG2-CB 3.83Å; I410-F434 HydrophobicContact CG2-CD1 4.26Å; I410-F434 HydrophobicContact CG2-CD2 4.39Å; I410-F434 HydrophobicContact CG2-CG 3.9Å; K430-F434 HydrophobicContact CB-CE2 4.01Å; K430-F434 WeakPolarHBondContact O-CE2 3.21Å; T431-F434 PolarHBondContact O-N 2.97Å; F434-K449 WeakPolarHBondContact O-CB 3.22Å; F434-K449 WeakPolarHBondContact O-CG 3.47Å; F434-K449 PolarHBondContact O-N 3.33Å
435	F	97.4	Very high	87.7	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.7	-175.1	-59.1	-98.2	0	0	0	111.5	L374 I410 L419 P420 L425 T431 W446 R447 L448	L374-F435 HydrophobicContact CD2-CD2 4.32Å; L374-F435 HydrophobicContact CD2-CE2 3.75Å; I410-F435 HydrophobicContact CG1-CE2 3.96Å; I410-F435 HydrophobicContact CG1-CZ 3.82Å; I410-F435 HydrophobicContact CG2-CE2 4.4Å; L419-F435 HydrophobicContact CD2-CE1 3.93Å; P420-F435 HydrophobicContact CG-CZ 4.12Å; L425-F435 HydrophobicContact CD1-CD1 4.24Å; L425-F435 HydrophobicContact CD1-CE1 4.36Å; L425-F435 HydrophobicContact CD2-CD1 4.31Å; L425-F435 HydrophobicContact CD2-CD2 3.96Å; L425-F435 HydrophobicContact CD2-CE1 4.12Å; L425-F435 HydrophobicContact CD2-CE2 3.78Å; L425-F435 HydrophobicContact CD2-CG 4.25Å; L425-F435 HydrophobicContact CD2-CZ 3.87Å; T431-F435 HydrophobicContact CG2-CB 3.97Å; T431-F435 HydrophobicContact CG2-CD2 3.92Å; T431-F435 HydrophobicContact CG2-CG 4.23Å; T431-F435 PolarHBondContact O-N 2.89Å; F435-W446 HydrophobicContact CB-CB 4.4Å; F435-W446 HydrophobicContact CB-CD2 4.29Å; F435-W446 HydrophobicContact CB-CE3 3.6Å; F435-W446 HydrophobicContact CB-CZ3 4.24Å; F435-W446 WeakPolarHBondContact O-CZ3 3.39Å; F435-R447 CarbonylContact C-O 3.59Å; F435-R447 VanDerWaalsContact CA-O 3.22Å; F435-R447 WeakPolarHBondContact CA-O 3.47Å; F435-R447 WeakPolarHBondContact CB-O 3.42Å; F435-L448 HydrophobicContact CD1-CB 4.21Å; F435-L448 HydrophobicContact CD1-CD1 3.97Å; F435-L448 HydrophobicContact CE1-CB 4.22Å; F435-L448 HydrophobicContact CE1-CD1 3.58Å; F435-L448 HydrophobicContact CE2-CD1 4.2Å; F435-L448 HydrophobicContact CG-CD1 4.43Å; F435-L448 HydrophobicContact CZ-CD1 3.7Å
436	N	94.3	Very high	87.5	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.5	176.7	-84.8	-20.1	0	0	0	111.9	R113 R447 K449 E453	R113-N436 PolarHBondContact NH2-O 3.46Å; N436-R447 HydrophobicContact CB-CG 4.02Å; N436-R447 PolarHBondContact N-O 2.81Å; N436-R447 PolarHBondContact ND2-NH2 3.25Å; N436-R447 PolarHBondContact O-N 2.72Å; N436-K449 VanDerWaalsContact OD1-CE 3.26Å; N436-K449 WeakPolarHBondContact OD1-CE 3.14Å; N436-E453 PolarHBondContact ND2-OE2 3.3Å
437	R	90.1	Very high	87.5	Confident	106 Å²	106	56 Å²	56	40%	0.4	30%	0.302	S	S	.	.			trans	-82.5	111.3	170.6	-148.2	178.2	169.2	91.3	-9.1	108	R113 S426 W446	R113-R437 VanDerWaalsContact CA-CZ 3.42Å; R113-R437 HydrophobicContact CB-CG 4.27Å; R113-R437 HydrophobicContact CG-CB 4.41Å; R113-R437 HydrophobicContact CG-CG 3.63Å; R113-R437 VanDerWaalsContact N-NH2 3.12Å; S426-R437 PolarHBondContact OG-NH1 3.03Å; R437-W446 HydrophobicContact CB-CE3 3.98Å; R437-W446 HydrophobicContact CB-CH2 4.03Å; R437-W446 HydrophobicContact CB-CZ3 3.71Å; R437-W446 HydrophobicContact CG-CD2 4.45Å; R437-W446 HydrophobicContact CG-CE3 4.37Å; R437-W446 HydrophobicContact CG-CH2 4.11Å; R437-W446 HydrophobicContact CG-CZ2 4.16Å; R437-W446 HydrophobicContact CG-CZ3 4.2Å; R437-W446 VanDerWaalsContact NH1-CZ2 3.29Å
438	G	80.5	Confident	87.5	Confident	7 Å²	7	54.7 Å²	54.7	7%	0.072	29%	0.286	C	S	.	.			trans	-91.4	-147.9	-170.8	0	0	0	0	0	114.4	R113 S114 Q115	R113-G438 VanDerWaalsContact CG-N 3.28Å; R113-G438 VanDerWaalsContact CZ-CA 3.5Å; R113-G438 VanDerWaalsContact CZ-N 3.3Å; S114-G438 VanDerWaalsContact CA-O 3.29Å; S114-G438 WeakPolarHBondContact CA-O 3.13Å; S114-G438 WeakPolarHBondContact CB-O 3.27Å; S114-G438 PolarHBondContact OG-O 3.33Å; Q115-G438 VanDerWaalsContact CB-O 3.25Å; Q115-G438 WeakPolarHBondContact CB-O 3.36Å; Q115-G438 WeakPolarHBondContact CG-O 3.33Å; Q115-G438 PolarHBondContact N-O 3.44Å
439	P	78.4	Confident	87.5	Confident	43 Å²	43	54.4 Å²	54.4	28%	0.279	28%	0.282	S	S	.	.	S	Bend	trans	-75.9	145	-173.6	-11.1	23.7	0	0	0	116.7	S114 Q115 S441 S442	S114-P439 PolarHBondContact OG-O 3.08Å; Q115-P439 VanDerWaalsContact CD-CA 3.45Å; P439-S441 PolarHBondContact O-N 3.22Å; P439-S442 WeakPolarHBondContact CB-OG 3.28Å; P439-S442 VanDerWaalsContact CD-OG 3.26Å; P439-S442 WeakPolarHBondContact CD-OG 3.47Å; P439-S442 WeakPolarHBondContact CG-OG 3.25Å; P439-S442 PolarHBondContact O-N 3.11Å; P439-S442 PolarHBondContact O-OG 3.04Å
440	D	67.5	Low	87.5	Confident	82 Å²	82	53.3 Å²	53.3	44%	0.439	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	123.6	-174	-57	-93.7	0	0	0	112.9	S114 Q115 S442	S114-D440 WeakPolarHBondContact CB-OD1 3.5Å; S114-D440 VanDerWaalsContact OG-CA 3.27Å; S114-D440 WeakPolarHBondContact OG-CA 3.19Å; S114-D440 PolarHBondContact OG-N 3.23Å; S114-D440 VanDerWaalsContact OG-N 3.15Å; Q115-D440 WeakPolarHBondContact CB-OD2 3.44Å; D440-S442 PolarHBondContact O-N 2.94Å; D440-S442 VanDerWaalsContact O-N 3.17Å
441	S	65.2	Low	87.5	Confident	117 Å²	117	55 Å²	55	82%	0.818	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	9.7	-173.3	-50.5	0	0	0	0	117	P439	P439-S441 PolarHBondContact O-N 3.22Å
442	S	69.6	Low	87.5	Confident	44 Å²	44	58.1 Å²	58.1	31%	0.308	32%	0.315	S	S	.	.			trans	-93.2	108.7	179.5	77.1	0	0	0	0	113.1	P439 D440 P444 L445	P439-S442 WeakPolarHBondContact CB-OG 3.28Å; P439-S442 VanDerWaalsContact CD-OG 3.26Å; P439-S442 WeakPolarHBondContact CD-OG 3.47Å; P439-S442 WeakPolarHBondContact CG-OG 3.25Å; P439-S442 PolarHBondContact O-N 3.11Å; P439-S442 PolarHBondContact O-OG 3.04Å; D440-S442 PolarHBondContact O-N 2.94Å; D440-S442 VanDerWaalsContact O-N 3.17Å; S442-P444 VanDerWaalsContact O-O 3.12Å; S442-L445 WeakPolarHBondContact O-CD2 3.42Å
443	Y	70.5	Confident	87.6	Confident	168 Å²	168	56.8 Å²	56.8	66%	0.659	30%	0.3	S	S	*	.	S	Bend	trans	-67.9	148.5	174.5	-154.1	-89.9	0	0	0	112.1	E422 L445	E422-Y443 VanDerWaalsContact OE2-CE2 3.25Å; E422-Y443 WeakPolarHBondContact OE2-CE2 3.49Å; Y443-L445 HydrophobicContact CD2-CD1 3.66Å; Y443-L445 HydrophobicContact CD2-CG 3.58Å; Y443-L445 HydrophobicContact CE2-CD1 4.07Å; Y443-L445 HydrophobicContact CE2-CG 4.16Å; Y443-L445 HydrophobicContact CG-CG 4.31Å
444	P	72.8	Confident	87.6	Confident	66 Å²	66	51.9 Å²	51.9	43%	0.429	28%	0.282	S	S	.	.	S	Bend	cis	-65	150	-7.3	30.2	-36.6	0	0	0	111.8	R113 S442	R113-P444 PolarHBondContact NE-O 3.37Å; R113-P444 PolarHBondContact NH1-O 2.98Å; S442-P444 VanDerWaalsContact O-O 3.12Å
445	L	85.6	Confident	87.6	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.094	30%	0.298	C	S	.	.	S	Bend	trans	-93.1	-1.8	-166	-59.7	170.8	0	0	0	113.9	E111 A112 R113 E422 S442 Y443	E111-L445 WeakPolarHBondContact O-CD1 3.43Å; A112-L445 HydrophobicContact CB-CB 3.37Å; A112-L445 HydrophobicContact CB-CD1 4.44Å; A112-L445 HydrophobicContact CB-CG 4.44Å; A112-L445 VanDerWaalsContact N-CD1 3.3Å; R113-L445 HydrophobicContact CB-CB 4Å; R113-L445 HydrophobicContact CB-CD2 3.75Å; R113-L445 HydrophobicContact CB-CG 4.48Å; R113-L445 WeakPolarHBondContact CB-O 3.36Å; R113-L445 WeakPolarHBondContact CD-O 3.48Å; R113-L445 WeakPolarHBondContact CG-O 3.34Å; R113-L445 PolarHBondContact NE-O 3.26Å; E422-L445 PolarHBondContact OE1-N 3.48Å; E422-L445 WeakPolarHBondContact OE2-CB 3.5Å; S442-L445 WeakPolarHBondContact O-CD2 3.42Å; Y443-L445 HydrophobicContact CD2-CD1 3.66Å; Y443-L445 HydrophobicContact CD2-CG 3.58Å; Y443-L445 HydrophobicContact CE2-CD1 4.07Å; Y443-L445 HydrophobicContact CE2-CG 4.16Å; Y443-L445 HydrophobicContact CG-CG 4.31Å
446	W	93.4	Very high	87.6	Confident	17 Å²	17	63 Å²	63	6%	0.064	34%	0.336	C	S	.	.			trans	-136.4	169.5	146.5	-68.8	82.7	0	0	0	111.8	E111 L425 T431 F435 R437	E111-W446 VanDerWaalsContact OE1-CD1 3.3Å; E111-W446 PolarHBondContact OE1-NE1 3.09Å; E111-W446 PolarHBondContact OE2-NE1 3.42Å; L425-W446 HydrophobicContact CB-CD2 4.33Å; L425-W446 HydrophobicContact CB-CG 4.01Å; L425-W446 HydrophobicContact CD1-CB 3.69Å; L425-W446 HydrophobicContact CD1-CG 3.94Å; T431-W446 HydrophobicContact CG2-CD2 4.06Å; T431-W446 HydrophobicContact CG2-CE3 3.92Å; T431-W446 HydrophobicContact CG2-CH2 3.71Å; T431-W446 HydrophobicContact CG2-CZ2 3.85Å; T431-W446 HydrophobicContact CG2-CZ3 3.75Å; F435-W446 HydrophobicContact CB-CB 4.4Å; F435-W446 HydrophobicContact CB-CD2 4.29Å; F435-W446 HydrophobicContact CB-CE3 3.6Å; F435-W446 HydrophobicContact CB-CZ3 4.24Å; F435-W446 WeakPolarHBondContact O-CZ3 3.39Å; R437-W446 HydrophobicContact CB-CE3 3.98Å; R437-W446 HydrophobicContact CB-CH2 4.03Å; R437-W446 HydrophobicContact CB-CZ3 3.71Å; R437-W446 HydrophobicContact CG-CD2 4.45Å; R437-W446 HydrophobicContact CG-CE3 4.37Å; R437-W446 HydrophobicContact CG-CH2 4.11Å; R437-W446 HydrophobicContact CG-CZ2 4.16Å; R437-W446 HydrophobicContact CG-CZ3 4.2Å; R437-W446 VanDerWaalsContact NH1-CZ2 3.29Å
447	R	94.6	Very high	87.7	Confident	97 Å²	97	66 Å²	66	37%	0.366	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.9	164.4	70.2	177.1	-179.5	82	-8.9	108.7	R113 F435 N436 E453	R113-R447 VanDerWaalsContact NH2-N 3.13Å; F435-R447 CarbonylContact C-O 3.59Å; F435-R447 VanDerWaalsContact CA-O 3.22Å; F435-R447 WeakPolarHBondContact CA-O 3.47Å; F435-R447 WeakPolarHBondContact CB-O 3.42Å; N436-R447 HydrophobicContact CB-CG 4.02Å; N436-R447 PolarHBondContact N-O 2.81Å; N436-R447 PolarHBondContact ND2-NH2 3.25Å; N436-R447 PolarHBondContact O-N 2.72Å; R447-E453 IonicContact CZ-OE1 3.95Å; R447-E453 IonicContact CZ-OE2 2.74Å; R447-E453 IonicContact NH1-OE1 3.84Å; R447-E453 PolarHBondContact NH1-OE1 2.83Å; R447-E453 IonicContact NH1-OE2 3.6Å; R447-E453 PolarHBondContact NH1-OE2 3.37Å; R447-E453 IonicContact NH2-OE1 2.64Å; R447-E453 PolarHBondContact NH2-OE1 2.88Å; R447-E453 IonicContact NH2-OE2 3Å
448	L	97.1	Very high	87.9	Confident	33 Å²	33	63.9 Å²	63.9	17%	0.173	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	144	167.4	-165.6	74.1	0	0	0	109.1	Y407 I410 R411 L419 F435	Y407-L448 HydrophobicContact CE2-CD1 4.23Å; Y407-L448 HydrophobicContact CE2-CD2 4.46Å; Y407-L448 HydrophobicContact CE2-CG 4.12Å; I410-L448 HydrophobicContact CG2-CD1 4.34Å; R411-L448 HydrophobicContact CB-CD2 3.88Å; R411-L448 HydrophobicContact CG-CD2 3.88Å; L419-L448 HydrophobicContact CD2-CB 4.13Å; F435-L448 HydrophobicContact CD1-CB 4.21Å; F435-L448 HydrophobicContact CD1-CD1 3.97Å; F435-L448 HydrophobicContact CE1-CB 4.22Å; F435-L448 HydrophobicContact CE1-CD1 3.58Å; F435-L448 HydrophobicContact CE2-CD1 4.2Å; F435-L448 HydrophobicContact CG-CD1 4.43Å; F435-L448 HydrophobicContact CZ-CD1 3.7Å
449	K	97.4	Very high	88.7	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.009	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-61.8	147.5	165.6	-69.7	177.2	-172.3	177.2	0	109	Y407 S432 R433 F434 N436 E453 H454 E457	Y407-K449 HydrophobicContact CE2-CB 4.14Å; Y407-K449 PolarHBondContact OH-O 3.47Å; S432-K449 VanDerWaalsContact O-CE 3.27Å; S432-K449 WeakPolarHBondContact O-CE 3.38Å; S432-K449 PolarHBondContact O-NZ 2.74Å; R433-K449 WeakPolarHBondContact O-CD 3.33Å; R433-K449 WeakPolarHBondContact O-CE 3.38Å; R433-K449 PolarHBondContact O-NZ 3.18Å; F434-K449 WeakPolarHBondContact O-CB 3.22Å; F434-K449 WeakPolarHBondContact O-CG 3.47Å; F434-K449 PolarHBondContact O-N 3.33Å; N436-K449 VanDerWaalsContact OD1-CE 3.26Å; N436-K449 WeakPolarHBondContact OD1-CE 3.14Å; K449-E453 WeakPolarHBondContact CA-OE2 3.46Å; K449-E453 HydrophobicContact CB-CB 4.13Å; K449-H454 HydrophobicContact CB-CB 4.4Å; K449-E457 WeakPolarHBondContact CE-OE2 3.37Å; K449-E457 IonicContact NZ-OE1 2.63Å; K449-E457 PolarHBondContact NZ-OE1 3.33Å; K449-E457 IonicContact NZ-OE2 2.7Å; K449-E457 PolarHBondContact NZ-OE2 3.16Å
450	T	97.6	Very high	89.5	Confident	64 Å²	64	68.3 Å²	68.3	39%	0.393	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-71	159.6	165.9	73.9	0	0	0	0	109.6	A452 E453 H454	T450-A452 PolarHBondContact O-N 3.3Å; T450-E453 PolarHBondContact N-OE2 3.27Å; T450-E453 PolarHBondContact O-N 2.74Å; T450-E453 VanDerWaalsContact O-N 3.1Å; T450-E453 WeakPolarHBondContact OG1-CG 3.23Å; T450-E453 PolarHBondContact OG1-N 2.71Å; T450-E453 VanDerWaalsContact OG1-N 3.15Å; T450-H454 PolarHBondContact O-N 3.36Å
451	P	97.8	Very high	90.9	Very high	56 Å²	56	71 Å²	71	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-55.5	-38.7	176.3	-29.7	37.6	0	0	0	113	Y407 H454 E455	Y407-P451 HydrophobicContact CE1-CB 4.48Å; Y407-P451 HydrophobicContact CE1-CG 4.46Å; Y407-P451 WeakPolarHBondContact OH-CD 3.35Å; P451-H454 PolarHBondContact O-N 2.93Å; P451-E455 VanDerWaalsContact O-CB 3.28Å; P451-E455 WeakPolarHBondContact O-CB 3.48Å; P451-E455 PolarHBondContact O-N 2.93Å
452	A	97.7	Very high	92.4	Very high	67 Å²	67	67 Å²	67	55%	0.554	36%	0.358	S	S	*	.	H	α-helix	trans	-69.6	-35.5	176.9	0	0	0	0	0	113.2	T450 M456	T450-A452 PolarHBondContact O-N 3.3Å; A452-M456 WeakPolarHBondContact O-CB 3.49Å; A452-M456 PolarHBondContact O-N 3.11Å
453	E	97.2	Very high	93.6	Very high	47 Å²	47	70.5 Å²	70.5	22%	0.22	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-42.7	173.1	-73.4	172.4	155.6	0	0	111.5	N436 R447 K449 T450 E457	N436-E453 PolarHBondContact ND2-OE2 3.3Å; R447-E453 IonicContact CZ-OE1 3.95Å; R447-E453 IonicContact CZ-OE2 2.74Å; R447-E453 IonicContact NH1-OE1 3.84Å; R447-E453 PolarHBondContact NH1-OE1 2.83Å; R447-E453 IonicContact NH1-OE2 3.6Å; R447-E453 PolarHBondContact NH1-OE2 3.37Å; R447-E453 IonicContact NH2-OE1 2.64Å; R447-E453 PolarHBondContact NH2-OE1 2.88Å; R447-E453 IonicContact NH2-OE2 3Å; K449-E453 WeakPolarHBondContact CA-OE2 3.46Å; K449-E453 HydrophobicContact CB-CB 4.13Å; T450-E453 PolarHBondContact N-OE2 3.27Å; T450-E453 PolarHBondContact O-N 2.74Å; T450-E453 VanDerWaalsContact O-N 3.1Å; T450-E453 WeakPolarHBondContact OG1-CG 3.23Å; T450-E453 PolarHBondContact OG1-N 2.71Å; T450-E453 VanDerWaalsContact OG1-N 3.15Å; E453-E457 WeakPolarHBondContact O-CB 3.41Å; E453-E457 PolarHBondContact O-N 3.21Å
454	H	97.6	Very high	94.9	Very high	7 Å²	7	67 Å²	67	3%	0.032	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-42.8	176.6	177.9	-92.6	0	0	0	112.2	Y407 K449 T450 P451 M456 E457 M458 I460	Y407-H454 VanDerWaalsContact CB-CE1 3.48Å; Y407-H454 WeakPolarHBondContact CB-CE1 3.48Å; Y407-H454 VanDerWaalsContact CB-NE2 3.31Å; Y407-H454 WeakPolarHBondContact CB-NE2 3.22Å; Y407-H454 HydrophobicContact CD1-CB 4.12Å; Y407-H454 AromaticContact CD1-CG 3.76Å; Y407-H454 AromaticContact CD1-ND1 3.69Å; Y407-H454 HydrophobicContact CD2-CB 4.05Å; Y407-H454 AromaticContact CD2-CD2 3.68Å; Y407-H454 AromaticContact CD2-CG 3.79Å; Y407-H454 HydrophobicContact CE1-CB 4.09Å; Y407-H454 HydrophobicContact CE2-CB 4.01Å; Y407-H454 HydrophobicContact CG-CB 4.12Å; Y407-H454 AromaticContact CG-CD2 3.57Å; Y407-H454 AromaticContact CG-CE1 3.85Å; Y407-H454 AromaticContact CG-CG 3.53Å; Y407-H454 AromaticContact CG-ND1 3.72Å; Y407-H454 AromaticContact CG-NE2 3.77Å; K449-H454 HydrophobicContact CB-CB 4.4Å; T450-H454 PolarHBondContact O-N 3.36Å; P451-H454 PolarHBondContact O-N 2.93Å; H454-M456 PolarHBondContact O-N 2.84Å; H454-E457 PolarHBondContact O-N 3.36Å; H454-M458 WeakPolarHBondContact O-CB 3.23Å; H454-M458 PolarHBondContact O-N 3.4Å; H454-I460 PolarHBondContact ND1-O 2.86Å
455	E	97.7	Very high	96	Very high	75 Å²	75	65.8 Å²	65.8	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-44.2	175.9	-177.8	-179.1	160.8	0	0	111.6	P451 E457 G459 K461	P451-E455 VanDerWaalsContact O-CB 3.28Å; P451-E455 WeakPolarHBondContact O-CB 3.48Å; P451-E455 PolarHBondContact O-N 2.93Å; E455-E457 VanDerWaalsContact C-N 3.33Å; E455-E457 PolarHBondContact O-N 2.94Å; E455-G459 VanDerWaalsContact O-CA 3.22Å; E455-G459 WeakPolarHBondContact O-CA 3.34Å; E455-G459 PolarHBondContact O-N 3.19Å; E455-K461 HydrophobicContact CG-CG 3.89Å; E455-K461 WeakPolarHBondContact OE1-CE 3.38Å; E455-K461 WeakPolarHBondContact OE1-CG 3.47Å; E455-K461 IonicContact OE1-NZ 2.73Å
456	M	97.2	Very high	96.6	Very high	163 Å²	163	66 Å²	66	80%	0.803	35%	0.353	S	S	*	.	H	α-helix	trans	-65.1	-32.8	178.4	-179.5	178.7	64.4	0	0	113.3	A452 H454	A452-M456 WeakPolarHBondContact O-CB 3.49Å; A452-M456 PolarHBondContact O-N 3.11Å; H454-M456 PolarHBondContact O-N 2.84Å
457	E	96.3	Very high	96.7	Very high	108 Å²	108	70.2 Å²	70.2	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-88.9	-37.6	-178	-170	-174.1	131.6	0	0	113.2	K449 E453 H454 E455	K449-E457 WeakPolarHBondContact CE-OE2 3.37Å; K449-E457 IonicContact NZ-OE1 2.63Å; K449-E457 PolarHBondContact NZ-OE1 3.33Å; K449-E457 IonicContact NZ-OE2 2.7Å; K449-E457 PolarHBondContact NZ-OE2 3.16Å; E453-E457 WeakPolarHBondContact O-CB 3.41Å; E453-E457 PolarHBondContact O-N 3.21Å; H454-E457 PolarHBondContact O-N 3.36Å; E455-E457 VanDerWaalsContact C-N 3.33Å; E455-E457 PolarHBondContact O-N 2.94Å
458	M	95.5	Very high	96.9	Very high	61 Å²	61	68 Å²	68	30%	0.3	36%	0.363	S	S	.	.	H	α-helix	trans	-111.7	-6.4	-170.1	-60.3	-62.8	-49.5	0	0	113.9	H454 I460	H454-M458 WeakPolarHBondContact O-CB 3.23Å; H454-M458 PolarHBondContact O-N 3.4Å; M458-I460 HydrophobicContact CB-CD1 4.42Å; M458-I460 PolarHBondContact O-N 3.34Å; M458-I460 VanDerWaalsContact O-N 3.15Å
459	G	96.4	Very high	96.9	Very high	66 Å²	66	71.1 Å²	71.1	68%	0.68	38%	0.379	S	S	*	.			trans	70.9	-2.6	-174.3	0	0	0	0	0	115.1	E455	E455-G459 VanDerWaalsContact O-CA 3.22Å; E455-G459 WeakPolarHBondContact O-CA 3.34Å; E455-G459 PolarHBondContact O-N 3.19Å
460	I	95.2	Very high	96.9	Very high	76 Å²	76	71.8 Å²	71.8	39%	0.39	38%	0.382	S	S	.	.			trans	-97	110	-171.5	-65.2	164.4	0	0	0	110.4	H454 M458	H454-I460 PolarHBondContact ND1-O 2.86Å; M458-I460 HydrophobicContact CB-CD1 4.42Å; M458-I460 PolarHBondContact O-N 3.34Å; M458-I460 VanDerWaalsContact O-N 3.15Å
461	K	96.4	Very high	96.8	Very high	140 Å²	140	75.3 Å²	75.3	61%	0.609	40%	0.399	S	S	*	.			trans	-66.5	125.2	170.9	-81.7	176.3	174.6	177.1	0	111.8	E455	E455-K461 HydrophobicContact CG-CG 3.89Å; E455-K461 WeakPolarHBondContact OE1-CE 3.38Å; E455-K461 WeakPolarHBondContact OE1-CG 3.47Å; E455-K461 IonicContact OE1-NZ 2.73Å
462	S	96.6	Very high	96.8	Very high	32 Å²	32	74.8 Å²	74.8	22%	0.224	40%	0.396	C	S	.	.			trans	-61.4	147.2	166.8	-87.2	0	0	0	0	112.1	Y407 D408	Y407-S462 WeakPolarHBondContact CD1-OG 2.8Å; Y407-S462 VanDerWaalsContact CE1-OG 3.25Å; Y407-S462 WeakPolarHBondContact CE1-OG 3.43Å; D408-S462 WeakPolarHBondContact OD1-CA 3.42Å; D408-S462 WeakPolarHBondContact OD1-CB 3.35Å; D408-S462 PolarHBondContact OD1-OG 3.1Å
463	K	95.6	Very high	96.8	Very high	118 Å²	118	72 Å²	72	51%	0.513	37%	0.371	S	S	.	.			trans	-122.3	157.9	168.7	-60.4	-178.1	-178.9	179	0	109.6	A404 R411 Y412	A404-K463 HydrophobicContact CB-CB 3.95Å; A404-K463 HydrophobicContact CB-CD 4.15Å; A404-K463 HydrophobicContact CB-CG 4.26Å; R411-K463 PolarHBondContact NH2-O 3.49Å; Y412-K463 PolarHBondContact OH-O 2.71Å; Y412-K463 VanDerWaalsContact OH-O 3.09Å
464	E	96.8	Very high	96.8	Very high	95 Å²	95	73 Å²	73	44%	0.444	38%	0.378	S	S	.	.			trans	-113.2	115.1	169.6	-168.5	54.7	-106.8	0	0	108.8	R411 Y412 R466 I469	R411-E464 IonicContact CZ-OE2 2.69Å; R411-E464 IonicContact NH1-OE2 2.8Å; R411-E464 PolarHBondContact NH1-OE2 2.88Å; R411-E464 IonicContact NH2-OE2 2.67Å; Y412-E464 WeakPolarHBondContact CE1-OE1 3.47Å; Y412-E464 WeakPolarHBondContact CE1-OE2 3.43Å; Y412-E464 WeakPolarHBondContact OH-CA 3.48Å; Y412-E464 PolarHBondContact OH-OE1 2.84Å; E464-R466 VanDerWaalsContact CD-NH2 3.32Å; E464-R466 WeakPolarHBondContact OE1-CB 3.15Å; E464-R466 IonicContact OE1-CZ 3.5Å; E464-R466 PolarHBondContact OE1-N 3.49Å; E464-R466 IonicContact OE1-NE 2.83Å; E464-R466 PolarHBondContact OE1-NE 3.43Å; E464-R466 IonicContact OE1-NH2 2.68Å; E464-R466 PolarHBondContact OE1-NH2 3.44Å; E464-R466 IonicContact OE2-CZ 2.66Å; E464-R466 IonicContact OE2-NE 2.73Å; E464-R466 IonicContact OE2-NH2 2.84Å; E464-R466 PolarHBondContact OE2-NH2 3.14Å; E464-I469 HydrophobicContact CG-CD1 4.28Å
465	A	96.6	Very high	96.8	Very high	40 Å²	40	75.2 Å²	75.2	33%	0.331	39%	0.39	S	S	.	.			trans	-126.6	3.5	-170.6	0	0	0	0	0	112.6	W398 P402 Y412	W398-A465 PolarHBondContact NE1-O 2.74Å; W398-A465 VanDerWaalsContact NE1-O 3.11Å; P402-A465 HydrophobicContact CB-CB 4.28Å; P402-A465 HydrophobicContact CG-CB 4.1Å; P402-A465 VanDerWaalsContact CG-O 3.28Å; P402-A465 WeakPolarHBondContact CG-O 3.49Å; Y412-A465 PolarHBondContact OH-N 2.68Å
466	R	97.8	Very high	96.7	Very high	22 Å²	22	71.6 Å²	71.6	8%	0.083	37%	0.374	C	S	.	.			trans	-77.3	123.4	175	-75.3	176.6	-65.2	-176.4	-0.1	110.8	P402 Y412 E464 Y468 I469	P402-R466 HydrophobicContact CG-CB 4.49Å; P402-R466 HydrophobicContact CG-CG 3.83Å; Y412-R466 VanDerWaalsContact CD1-NE 3.31Å; Y412-R466 HydrophobicContact CD2-CG 4.24Å; Y412-R466 HydrophobicContact CE1-CG 4.4Å; Y412-R466 VanDerWaalsContact CE1-NE 3.34Å; Y412-R466 HydrophobicContact CE2-CG 4.05Å; Y412-R466 HydrophobicContact CG-CG 4.48Å; E464-R466 VanDerWaalsContact CD-NH2 3.32Å; E464-R466 WeakPolarHBondContact OE1-CB 3.15Å; E464-R466 IonicContact OE1-CZ 3.5Å; E464-R466 PolarHBondContact OE1-N 3.49Å; E464-R466 IonicContact OE1-NE 2.83Å; E464-R466 PolarHBondContact OE1-NE 3.43Å; E464-R466 IonicContact OE1-NH2 2.68Å; E464-R466 PolarHBondContact OE1-NH2 3.44Å; E464-R466 IonicContact OE2-CZ 2.66Å; E464-R466 IonicContact OE2-NE 2.73Å; E464-R466 IonicContact OE2-NH2 2.84Å; E464-R466 PolarHBondContact OE2-NH2 3.14Å; R466-Y468 VanDerWaalsContact C-N 3.27Å; R466-Y468 WeakPolarHBondContact CB-O 3.39Å; R466-I469 HydrophobicContact CB-CG1 3.95Å
467	K	96.8	Very high	96.4	Very high	106 Å²	106	66 Å²	66	46%	0.461	35%	0.346	S	S	.	.	S	Bend	trans	-68.3	-28.2	164	-176.1	-176.8	174.9	-163.7	0	112.1	W398	W398-K467 HydrophobicContact CB-CB 4.18Å; W398-K467 HydrophobicContact CB-CD 3.97Å; W398-K467 HydrophobicContact CD2-CB 3.84Å; W398-K467 HydrophobicContact CD2-CD 4.04Å; W398-K467 HydrophobicContact CE3-CD 4.16Å; W398-K467 HydrophobicContact CG-CB 3.58Å; W398-K467 HydrophobicContact CG-CD 3.99Å; W398-K467 HydrophobicContact CG-CG 4.46Å
468	Y	97.1	Very high	96.1	Very high	49 Å²	49	68.6 Å²	68.6	19%	0.192	36%	0.358	C	S	.	.			trans	-129.1	125.7	179.1	-55.9	-81.3	0	0	0	110.1	L396 W398 R466 F470 V479	L396-Y468 HydrophobicContact CB-CD2 4.07Å; L396-Y468 HydrophobicContact CB-CE2 3.91Å; L396-Y468 HydrophobicContact CD1-CD2 4.32Å; L396-Y468 HydrophobicContact CD2-CD2 4.06Å; L396-Y468 HydrophobicContact CD2-CE2 4.23Å; L396-Y468 HydrophobicContact CD2-CG 4.36Å; L396-Y468 HydrophobicContact CG-CD2 4.38Å; L396-Y468 WeakPolarHBondContact O-CE2 3.36Å; L396-Y468 PolarHBondContact O-OH 3.48Å; W398-Y468 HydrophobicContact CB-CD2 4.38Å; W398-Y468 HydrophobicContact CB-CE2 4.22Å; R466-Y468 VanDerWaalsContact C-N 3.27Å; R466-Y468 WeakPolarHBondContact CB-O 3.39Å; Y468-F470 VanDerWaalsContact CB-CZ 3.43Å; Y468-F470 HydrophobicContact CD1-CZ 4.27Å; Y468-F470 HydrophobicContact CG-CE2 4.48Å; Y468-F470 AromaticContact CG-CZ 3.98Å; Y468-F470 HydrophobicContact CG-CZ 3.98Å; Y468-V479 HydrophobicContact CD1-CG1 4.41Å; Y468-V479 HydrophobicContact CE1-CG1 4.05Å
469	I	97.2	Very high	95.8	Very high	100 Å²	100	66.8 Å²	66.8	51%	0.513	35%	0.35	S	S	.	.			trans	-113.3	115.9	175.1	-57.7	-179.7	0	0	0	107.3	E464 R466	E464-I469 HydrophobicContact CG-CD1 4.28Å; R466-I469 HydrophobicContact CB-CG1 3.95Å
470	F	97.1	Very high	95.2	Very high	16 Å²	16	67.3 Å²	67.3	7%	0.07	34%	0.338	C	S	.	.			trans	-109.3	140	179.9	-56.7	-58.5	0	0	0	110.3	L396 L400 T416 Y468 D475 M476 V479	L396-F470 HydrophobicContact CD1-CE2 3.95Å; L396-F470 HydrophobicContact CD1-CZ 4.5Å; L396-F470 HydrophobicContact CD2-CE2 4.11Å; L396-F470 HydrophobicContact CD2-CZ 3.85Å; L400-F470 HydrophobicContact CD1-CD2 4.12Å; L400-F470 HydrophobicContact CD1-CE2 4.17Å; T416-F470 WeakPolarHBondContact CA-O 3.43Å; T416-F470 WeakPolarHBondContact CB-O 3.09Å; T416-F470 HydrophobicContact CG2-CB 3.86Å; T416-F470 PolarHBondContact OG1-O 2.98Å; Y468-F470 VanDerWaalsContact CB-CZ 3.43Å; Y468-F470 HydrophobicContact CD1-CZ 4.27Å; Y468-F470 HydrophobicContact CG-CE2 4.48Å; Y468-F470 AromaticContact CG-CZ 3.98Å; Y468-F470 HydrophobicContact CG-CZ 3.98Å; F470-D475 HydrophobicContact CB-CB 4.18Å; F470-D475 HydrophobicContact CD1-CB 3.65Å; F470-D475 HydrophobicContact CE1-CB 4.47Å; F470-D475 HydrophobicContact CG-CB 4.25Å; F470-M476 HydrophobicContact CD1-CG 4.36Å; F470-M476 HydrophobicContact CD2-CG 3.71Å; F470-M476 HydrophobicContact CD2-SD 4.25Å; F470-M476 HydrophobicContact CE1-CG 4.17Å; F470-M476 HydrophobicContact CE2-CG 3.49Å; F470-M476 VanDerWaalsContact CE2-CG 3.49Å; F470-M476 HydrophobicContact CE2-SD 4.12Å; F470-M476 HydrophobicContact CG-CG 4.15Å; F470-M476 HydrophobicContact CZ-CG 3.73Å; F470-V479 HydrophobicContact CE1-CG2 3.54Å; F470-V479 HydrophobicContact CZ-CG2 3.83Å
471	N	96.5	Very high	94.7	Very high	138 Å²	138	66.3 Å²	66.3	74%	0.738	33%	0.333	S	S	*	.	S	Bend	trans	-76.8	-33.7	170.9	-53.4	-71	0	0	0	110.2	D475	N471-D475 WeakPolarHBondContact CA-OD2 3.31Å; N471-D475 PolarHBondContact N-OD2 3.49Å
472	C	97.6	Very high	93.9	Very high	44 Å²	44	62.3 Å²	62.3	30%	0.297	32%	0.323	S	S	.	.	S	Bend	trans	-148	160.3	173.3	74.4	0	0	0	0	112	T416 D474 D475	T416-C472 WeakPolarHBondContact O-CA 3.44Å; C472-D474 PolarHBondContact O-N 2.95Å; C472-D474 VanDerWaalsContact O-N 3.12Å; C472-D475 PolarHBondContact N-OD2 3.38Å; C472-D475 WeakPolarHBondContact O-CB 3.46Å; C472-D475 VanDerWaalsContact O-CG 3.25Å; C472-D475 PolarHBondContact O-N 3Å; C472-D475 VanDerWaalsContact O-N 3.11Å; C472-D475 PolarHBondContact SG-OD1 3.2Å
473	L	98	Very high	92.9	Very high	8 Å²	8	66 Å²	66	4%	0.042	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.2	177.7	-66.1	175.1	0	0	0	114.1	L400 T416 Q417 D475 M476 I501 K505 L508	L400-L473 HydrophobicContact CD2-CD2 4.21Å; T416-L473 HydrophobicContact CG2-CD2 3.9Å; T416-L473 HydrophobicContact CG2-CG 4.31Å; Q417-L473 HydrophobicContact CG-CD1 4.19Å; Q417-L473 HydrophobicContact CG-CG 4.31Å; L473-D475 VanDerWaalsContact C-N 3.35Å; L473-M476 HydrophobicContact CD2-SD 3.82Å; L473-M476 WeakPolarHBondContact O-CB 3.39Å; L473-I501 VanDerWaalsContact O-CG2 3.28Å; L473-I501 WeakPolarHBondContact O-CG2 3.43Å; L473-K505 HydrophobicContact CB-CG 3.99Å; L473-K505 HydrophobicContact CD1-CG 3.89Å; L473-L508 HydrophobicContact CD1-CB 4.3Å; L473-L508 HydrophobicContact CD1-CD1 4.09Å; L473-L508 HydrophobicContact CD2-CD1 4.38Å
474	D	97.4	Very high	92	Very high	69 Å²	69	68.4 Å²	68.4	37%	0.369	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.9	172.5	-60.3	-70.4	0	0	0	112.9	C472 M476 M477 K505	C472-D474 PolarHBondContact O-N 2.95Å; C472-D474 VanDerWaalsContact O-N 3.12Å; D474-M476 PolarHBondContact O-N 3.25Å; D474-M476 VanDerWaalsContact O-N 3.12Å; D474-M477 WeakPolarHBondContact O-CB 3.37Å; D474-M477 WeakPolarHBondContact O-CG 3.44Å; D474-M477 PolarHBondContact O-N 3.14Å; D474-K505 WeakPolarHBondContact OD1-CE 3.45Å; D474-K505 IonicContact OD1-NZ 3.29Å; D474-K505 PolarHBondContact OD1-NZ 2.88Å; D474-K505 WeakPolarHBondContact OD2-CE 3.28Å; D474-K505 IonicContact OD2-NZ 2.68Å; D474-K505 PolarHBondContact OD2-NZ 3.22Å
475	D	96.3	Very high	91.3	Very high	53 Å²	53	65.9 Å²	65.9	28%	0.283	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.5	179	-58.3	-19.5	0	0	0	110.9	F470 N471 C472 L473 M477 Q478	F470-D475 HydrophobicContact CB-CB 4.18Å; F470-D475 HydrophobicContact CD1-CB 3.65Å; F470-D475 HydrophobicContact CE1-CB 4.47Å; F470-D475 HydrophobicContact CG-CB 4.25Å; N471-D475 WeakPolarHBondContact CA-OD2 3.31Å; N471-D475 PolarHBondContact N-OD2 3.49Å; C472-D475 PolarHBondContact N-OD2 3.38Å; C472-D475 WeakPolarHBondContact O-CB 3.46Å; C472-D475 VanDerWaalsContact O-CG 3.25Å; C472-D475 PolarHBondContact O-N 3Å; C472-D475 VanDerWaalsContact O-N 3.11Å; C472-D475 PolarHBondContact SG-OD1 3.2Å; L473-D475 VanDerWaalsContact C-N 3.35Å; D475-M477 PolarHBondContact O-N 3.34Å; D475-Q478 PolarHBondContact O-N 2.86Å
476	M	95.6	Very high	90.6	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-59.1	-23.9	176.8	-67.2	178.8	62.2	0	0	113.9	A392 F395 L396 L400 F470 L473 D474 Q478 V479 I501 L504	A392-M476 HydrophobicContact CB-CE 4.06Å; F395-M476 HydrophobicContact CD1-CE 3.88Å; F395-M476 HydrophobicContact CE1-CB 4.36Å; F395-M476 HydrophobicContact CE1-CE 4.34Å; F395-M476 WeakPolarHBondContact CE1-O 3.3Å; L396-M476 HydrophobicContact CD1-CE 4.06Å; L396-M476 HydrophobicContact CD2-CE 4.3Å; L396-M476 HydrophobicContact CG-CE 4.15Å; L400-M476 HydrophobicContact CD1-SD 4.07Å; F470-M476 HydrophobicContact CD1-CG 4.36Å; F470-M476 HydrophobicContact CD2-CG 3.71Å; F470-M476 HydrophobicContact CD2-SD 4.25Å; F470-M476 HydrophobicContact CE1-CG 4.17Å; F470-M476 HydrophobicContact CE2-CG 3.49Å; F470-M476 VanDerWaalsContact CE2-CG 3.49Å; F470-M476 HydrophobicContact CE2-SD 4.12Å; F470-M476 HydrophobicContact CG-CG 4.15Å; F470-M476 HydrophobicContact CZ-CG 3.73Å; L473-M476 HydrophobicContact CD2-SD 3.82Å; L473-M476 WeakPolarHBondContact O-CB 3.39Å; D474-M476 PolarHBondContact O-N 3.25Å; D474-M476 VanDerWaalsContact O-N 3.12Å; M476-Q478 PolarHBondContact O-N 3.34Å; M476-V479 PolarHBondContact O-N 2.79Å; M476-I501 HydrophobicContact CB-CD1 3.62Å; M476-I501 HydrophobicContact CE-CD1 4.25Å; M476-I501 HydrophobicContact SD-CD1 4.36Å; M476-L504 HydrophobicContact CE-CD2 3.6Å; M476-L504 HydrophobicContact SD-CD2 3.82Å
477	M	92.2	Very high	90.1	Very high	46 Å²	46	73.5 Å²	73.5	23%	0.227	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-58	-34.1	179.2	-71.1	-171.3	66.8	0	0	112.5	D474 D475 R497 R498 I501	D474-M477 WeakPolarHBondContact O-CB 3.37Å; D474-M477 WeakPolarHBondContact O-CG 3.44Å; D474-M477 PolarHBondContact O-N 3.14Å; D475-M477 PolarHBondContact O-N 3.34Å; M477-R497 WeakPolarHBondContact O-CD 3.43Å; M477-R497 PolarHBondContact O-NH1 3.38Å; M477-R498 HydrophobicContact CE-CB 3.9Å; M477-R498 HydrophobicContact CE-CG 4.47Å; M477-I501 HydrophobicContact CG-CB 4.19Å; M477-I501 HydrophobicContact CG-CG1 3.75Å; M477-I501 HydrophobicContact CG-CG2 4.43Å
478	Q	88.6	Confident	89.8	Confident	161 Å²	161	72 Å²	72	75%	0.752	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-89.7	-17.4	-174.4	-53.1	-171.9	30.6	0	0	112.9	D475 M476 N480 L481	D475-Q478 PolarHBondContact O-N 2.86Å; M476-Q478 PolarHBondContact O-N 3.34Å; Q478-N480 PolarHBondContact O-N 3.02Å; Q478-L481 PolarHBondContact O-N 2.78Å
479	V	89.8	Confident	89.6	Confident	23 Å²	23	71 Å²	71	14%	0.139	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	131.3	-174.4	177.5	0	0	0	0	110.9	L396 Y468 F470 M476 L481 R497	L396-V479 HydrophobicContact CD2-CG1 3.91Å; Y468-V479 HydrophobicContact CD1-CG1 4.41Å; Y468-V479 HydrophobicContact CE1-CG1 4.05Å; F470-V479 HydrophobicContact CE1-CG2 3.54Å; F470-V479 HydrophobicContact CZ-CG2 3.83Å; M476-V479 PolarHBondContact O-N 2.79Å; V479-L481 PolarHBondContact O-N 3.27Å; V479-L481 VanDerWaalsContact O-N 3.15Å; V479-R497 PolarHBondContact O-NH1 2.63Å
480	N	84.7	Confident	89.3	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.8	178.8	-50.5	-37.3	0	0	0	113.1	P295 Q478 R497	P295-N480 HydrophobicContact CG-CB 4.32Å; P295-N480 WeakPolarHBondContact CG-ND2 3.36Å; Q478-N480 PolarHBondContact O-N 3.02Å; N480-R497 PolarHBondContact O-NH2 3.36Å
481	L	84.8	Confident	89.1	Confident	55 Å²	55	71.4 Å²	71.4	29%	0.288	40%	0.396	S	S	.	.			trans	-78.4	123.3	172.2	-178.8	64	0	0	0	109.6	Q478 V479 S483 M490 E493	Q478-L481 PolarHBondContact O-N 2.78Å; V479-L481 PolarHBondContact O-N 3.27Å; V479-L481 VanDerWaalsContact O-N 3.15Å; L481-S483 PolarHBondContact O-N 2.8Å; L481-M490 HydrophobicContact CD1-SD 4.31Å; L481-M490 HydrophobicContact CD2-SD 4.2Å; L481-M490 HydrophobicContact CG-CE 4.49Å; L481-M490 HydrophobicContact CG-SD 4.48Å; L481-E493 HydrophobicContact CD1-CG 3.7Å
482	S	79.1	Confident	89.1	Confident	56 Å²	56	64.8 Å²	64.8	39%	0.392	36%	0.361	S	S	.	.			trans	-70.1	121.3	-179	-178.1	0	0	0	0	111.5	H484 L485 M490	S482-H484 PolarHBondContact O-N 3.42Å; S482-H484 PolarHBondContact OG-N 3.11Å; S482-L485 PolarHBondContact O-N 3.46Å; S482-M490 WeakPolarHBondContact O-CE 3.44Å
483	S	74.9	Confident	88.9	Confident	108 Å²	108	63.3 Å²	63.3	76%	0.755	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.4	173.1	49.1	0	0	0	0	113.6	L481 L485	L481-S483 PolarHBondContact O-N 2.8Å; S483-L485 VanDerWaalsContact C-N 3.3Å; S483-L485 PolarHBondContact O-N 3.03Å
484	H	77	Confident	88.7	Confident	169 Å²	169	67.7 Å²	67.7	78%	0.782	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.9	178.5	-84.5	-71.6	0	0	0	114.5	S482	S482-H484 PolarHBondContact O-N 3.42Å; S482-H484 PolarHBondContact OG-N 3.11Å
485	L	81.9	Confident	88.6	Confident	43 Å²	43	65.1 Å²	65.1	23%	0.225	36%	0.357	C	S	.	.			trans	-85	126.9	172.5	-62.8	175.1	0	0	0	109.4	S482 S483 D489 M490 E493	S482-L485 PolarHBondContact O-N 3.46Å; S483-L485 VanDerWaalsContact C-N 3.3Å; S483-L485 PolarHBondContact O-N 3.03Å; L485-D489 HydrophobicContact CD2-CB 4.36Å; L485-M490 HydrophobicContact CB-CB 4.07Å; L485-M490 HydrophobicContact CB-CE 4.1Å; L485-M490 WeakPolarHBondContact O-CB 3.42Å; L485-M490 WeakPolarHBondContact O-CE 3.28Å; L485-E493 HydrophobicContact CD1-CB 3.83Å; L485-E493 HydrophobicContact CD1-CG 3.79Å
486	E	82.3	Confident	88.6	Confident	162 Å²	162	62.6 Å²	62.6	76%	0.757	34%	0.343	S	S	*	.			trans	-115.5	164.1	179.7	-66.3	-172.2	176.5	0	0	111.9	T488 D489 M490	E486-T488 PolarHBondContact O-N 3.43Å; E486-D489 PolarHBondContact O-N 3.04Å; E486-M490 PolarHBondContact O-N 3.48Å
487	G	88.1	Confident	88.7	Confident	59 Å²	59	63.1 Å²	63.1	61%	0.608	35%	0.345	S	S	*	.	H	α-helix	trans	48.6	-122.7	170.9	0	0	0	0	0	114.8	L491	G487-L491 PolarHBondContact O-N 3.2Å
488	T	90.3	Very high	89	Confident	75 Å²	75	68.3 Å²	68.3	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-71.7	-28.1	-175.4	49.1	0	0	0	0	113.8	E486 L491 A492	E486-T488 PolarHBondContact O-N 3.43Å; T488-L491 PolarHBondContact O-N 3.09Å; T488-A492 WeakPolarHBondContact O-CB 3.43Å; T488-A492 PolarHBondContact O-N 2.74Å
489	D	91.8	Very high	89.4	Confident	29 Å²	29	62.4 Å²	62.4	16%	0.155	34%	0.335	C	S	.	.	H	α-helix	trans	-70.9	-38.7	178	-83.3	-37.3	0	0	0	111.7	L485 E486 L491 A492 E493 S538 S539 H540	L485-D489 HydrophobicContact CD2-CB 4.36Å; E486-D489 PolarHBondContact O-N 3.04Å; D489-L491 VanDerWaalsContact C-N 3.34Å; D489-L491 PolarHBondContact O-N 2.69Å; D489-A492 PolarHBondContact O-N 3.39Å; D489-E493 WeakPolarHBondContact O-CB 3.4Å; D489-E493 PolarHBondContact O-N 3.37Å; D489-S538 VanDerWaalsContact OD1-CA 3.28Å; D489-S538 WeakPolarHBondContact OD1-CA 3.39Å; D489-S538 WeakPolarHBondContact OD1-CB 3.5Å; D489-S538 PolarHBondContact OD1-OG 3.31Å; D489-S539 VanDerWaalsContact CG-OG 3.27Å; D489-S539 PolarHBondContact OD1-N 2.78Å; D489-S539 PolarHBondContact OD1-OG 3.24Å; D489-S539 WeakPolarHBondContact OD2-CB 3.19Å; D489-S539 PolarHBondContact OD2-N 3.41Å; D489-S539 PolarHBondContact OD2-OG 3.16Å; D489-H540 PolarHBondContact OD1-N 3.12Å
490	M	91.9	Very high	89.9	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-36	172	173.8	58.3	79.3	0	0	112.5	L481 S482 L485 E486 K494	L481-M490 HydrophobicContact CD1-SD 4.31Å; L481-M490 HydrophobicContact CD2-SD 4.2Å; L481-M490 HydrophobicContact CG-CE 4.49Å; L481-M490 HydrophobicContact CG-SD 4.48Å; S482-M490 WeakPolarHBondContact O-CE 3.44Å; L485-M490 HydrophobicContact CB-CB 4.07Å; L485-M490 HydrophobicContact CB-CE 4.1Å; L485-M490 WeakPolarHBondContact O-CB 3.42Å; L485-M490 WeakPolarHBondContact O-CE 3.28Å; E486-M490 PolarHBondContact O-N 3.48Å; M490-K494 HydrophobicContact CG-CD 4.23Å; M490-K494 WeakPolarHBondContact O-CB 3.39Å; M490-K494 VanDerWaalsContact O-CG 3.3Å; M490-K494 WeakPolarHBondContact O-CG 3.49Å; M490-K494 PolarHBondContact O-N 2.91Å; M490-K494 VanDerWaalsContact O-N 3.15Å; M490-K494 HydrophobicContact SD-CD 3.87Å; M490-K494 WeakPolarHBondContact SD-CE 3.39Å; M490-K494 HydrophobicContact SD-CG 4.19Å; M490-K494 PolarHBondContact SD-NZ 3.33Å
491	L	93.3	Very high	90.5	Very high	93 Å²	93	57.8 Å²	57.8	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-69.9	-40.1	174.8	-67.3	174.3	0	0	0	111.8	G487 T488 D489 K494 A495 Y535	G487-L491 PolarHBondContact O-N 3.2Å; T488-L491 PolarHBondContact O-N 3.09Å; D489-L491 VanDerWaalsContact C-N 3.34Å; D489-L491 PolarHBondContact O-N 2.69Å; L491-K494 PolarHBondContact O-N 3.02Å; L491-A495 PolarHBondContact O-N 3.07Å; L491-Y535 HydrophobicContact CB-CD1 4.28Å; L491-Y535 HydrophobicContact CB-CE1 3.68Å
492	A	94.6	Very high	91.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-48.5	176.4	0	0	0	0	0	112.3	T488 D489 K494 A495 D496 L532 Y535 V541	T488-A492 WeakPolarHBondContact O-CB 3.43Å; T488-A492 PolarHBondContact O-N 2.74Å; D489-A492 PolarHBondContact O-N 3.39Å; A492-K494 VanDerWaalsContact C-N 3.29Å; A492-K494 PolarHBondContact O-N 3.16Å; A492-A495 WeakPolarHBondContact O-CB 3.33Å; A492-A495 PolarHBondContact O-N 3.4Å; A492-A495 VanDerWaalsContact O-N 3.12Å; A492-D496 WeakPolarHBondContact O-CB 3.19Å; A492-D496 PolarHBondContact O-N 3.36Å; A492-L532 HydrophobicContact CB-CD2 4.43Å; A492-Y535 HydrophobicContact CB-CD2 4.19Å; A492-Y535 HydrophobicContact CB-CG 4.03Å; A492-V541 HydrophobicContact CB-CG2 3.82Å
493	E	93.8	Very high	92.1	Very high	13 Å²	13	55 Å²	55	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-37.9	175.3	174.3	77.9	-172.4	0	0	111.7	L481 L485 D489 D496 R497 H540	L481-E493 HydrophobicContact CD1-CG 3.7Å; L485-E493 HydrophobicContact CD1-CB 3.83Å; L485-E493 HydrophobicContact CD1-CG 3.79Å; D489-E493 WeakPolarHBondContact O-CB 3.4Å; D489-E493 PolarHBondContact O-N 3.37Å; E493-D496 PolarHBondContact O-N 2.84Å; E493-R497 WeakPolarHBondContact O-CB 3.32Å; E493-R497 WeakPolarHBondContact O-CD 3.39Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.44Å; E493-R497 PolarHBondContact O-N 3.28Å; E493-R497 IonicContact OE1-CZ 3.81Å; E493-R497 VanDerWaalsContact OE1-CZ 3.24Å; E493-R497 IonicContact OE1-NE 3.73Å; E493-R497 PolarHBondContact OE1-NE 2.7Å; E493-R497 IonicContact OE1-NH2 3.02Å; E493-R497 PolarHBondContact OE1-NH2 2.91Å; E493-H540 IonicContact OE2-CE1 2.72Å; E493-H540 PolarHBondContact OE2-CE1 3.42Å; E493-H540 IonicContact OE2-ND1 3.5Å; E493-H540 IonicContact OE2-NE2 2.74Å
494	K	94.6	Very high	93.3	Very high	99 Å²	99	49.9 Å²	49.9	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-69.7	-31.8	174.9	-79.5	172.3	172.8	164.1	0	113.6	M490 L491 A492 R498	M490-K494 HydrophobicContact CG-CD 4.23Å; M490-K494 WeakPolarHBondContact O-CB 3.39Å; M490-K494 VanDerWaalsContact O-CG 3.3Å; M490-K494 WeakPolarHBondContact O-CG 3.49Å; M490-K494 PolarHBondContact O-N 2.91Å; M490-K494 VanDerWaalsContact O-N 3.15Å; M490-K494 HydrophobicContact SD-CD 3.87Å; M490-K494 WeakPolarHBondContact SD-CE 3.39Å; M490-K494 HydrophobicContact SD-CG 4.19Å; M490-K494 PolarHBondContact SD-NZ 3.33Å; L491-K494 PolarHBondContact O-N 3.02Å; A492-K494 VanDerWaalsContact C-N 3.29Å; A492-K494 PolarHBondContact O-N 3.16Å; K494-R498 PolarHBondContact O-N 3.4Å
495	A	95.9	Very high	94.3	Very high	15 Å²	15	44.7 Å²	44.7	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-43.2	170.9	0	0	0	0	0	111	L491 A492 R497 R498 E499 Y535	L491-A495 PolarHBondContact O-N 3.07Å; A492-A495 WeakPolarHBondContact O-CB 3.33Å; A492-A495 PolarHBondContact O-N 3.4Å; A492-A495 VanDerWaalsContact O-N 3.12Å; A495-R497 PolarHBondContact O-N 3.5Å; A495-R498 WeakPolarHBondContact O-CB 3.2Å; A495-R498 PolarHBondContact O-N 2.97Å; A495-R498 VanDerWaalsContact O-N 3.12Å; A495-E499 PolarHBondContact O-N 3.3Å; A495-Y535 HydrophobicContact CB-CE2 3.93Å
496	D	96.2	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-45.7	179.1	-158.7	5.3	0	0	0	112.4	L298 R302 A492 E493 R498 E499 F500 F526 H531 L532 H540	L298-D496 HydrophobicContact CD1-CB 4.08Å; R302-D496 IonicContact CZ-OD1 3.24Å; R302-D496 IonicContact CZ-OD2 3.67Å; R302-D496 IonicContact NH2-OD1 2.96Å; R302-D496 PolarHBondContact NH2-OD1 3.46Å; R302-D496 IonicContact NH2-OD2 2.74Å; R302-D496 PolarHBondContact NH2-OD2 2.84Å; A492-D496 WeakPolarHBondContact O-CB 3.19Å; A492-D496 PolarHBondContact O-N 3.36Å; E493-D496 PolarHBondContact O-N 2.84Å; D496-R498 VanDerWaalsContact C-N 3.29Å; D496-R498 PolarHBondContact O-N 2.86Å; D496-E499 PolarHBondContact O-N 3.25Å; D496-F500 WeakPolarHBondContact O-CB 3.29Å; D496-F500 PolarHBondContact O-N 3.43Å; D496-F526 VanDerWaalsContact OD1-CD2 3.28Å; D496-F526 WeakPolarHBondContact OD1-CD2 3.33Å; D496-F526 WeakPolarHBondContact OD1-CE2 3.34Å; D496-H531 WeakPolarHBondContact CA-NE2 3.37Å; D496-H531 IonicContact OD1-CE1 3.4Å; D496-H531 IonicContact OD1-NE2 3.64Å; D496-L532 HydrophobicContact CB-CD2 4.3Å; D496-H540 IonicContact OD2-CE1 3.39Å; D496-H540 IonicContact OD2-NE2 2.74Å; D496-H540 PolarHBondContact OD2-NE2 3.06Å
497	R	97.1	Very high	95.9	Very high	12 Å²	12	40.1 Å²	40.1	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-33.8	174.3	-74.3	167.3	175.7	-109.3	-5.5	113.4	L298 M477 V479 N480 E493 A495 I501	L298-R497 HydrophobicContact CD1-CB 4.34Å; L298-R497 HydrophobicContact CD1-CG 3.61Å; M477-R497 WeakPolarHBondContact O-CD 3.43Å; M477-R497 PolarHBondContact O-NH1 3.38Å; V479-R497 PolarHBondContact O-NH1 2.63Å; N480-R497 PolarHBondContact O-NH2 3.36Å; E493-R497 WeakPolarHBondContact O-CB 3.32Å; E493-R497 WeakPolarHBondContact O-CD 3.39Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.44Å; E493-R497 PolarHBondContact O-N 3.28Å; E493-R497 IonicContact OE1-CZ 3.81Å; E493-R497 VanDerWaalsContact OE1-CZ 3.24Å; E493-R497 IonicContact OE1-NE 3.73Å; E493-R497 PolarHBondContact OE1-NE 2.7Å; E493-R497 IonicContact OE1-NH2 3.02Å; E493-R497 PolarHBondContact OE1-NH2 2.91Å; A495-R497 PolarHBondContact O-N 3.5Å; R497-I501 WeakPolarHBondContact O-CB 3.31Å; R497-I501 WeakPolarHBondContact O-CG1 3.37Å; R497-I501 PolarHBondContact O-N 3.11Å
498	R	97.8	Very high	96.4	Very high	155 Å²	155	37.3 Å²	37.3	59%	0.585	17%	0.173	S	C	*	.	H	α-helix	trans	-65.5	-49.5	177.2	-174.1	-172	-59.5	-94.2	-3.2	110.7	M477 K494 A495 D496 F500 I501 D502	M477-R498 HydrophobicContact CE-CB 3.9Å; M477-R498 HydrophobicContact CE-CG 4.47Å; K494-R498 PolarHBondContact O-N 3.4Å; A495-R498 WeakPolarHBondContact O-CB 3.2Å; A495-R498 PolarHBondContact O-N 2.97Å; A495-R498 VanDerWaalsContact O-N 3.12Å; D496-R498 VanDerWaalsContact C-N 3.29Å; D496-R498 PolarHBondContact O-N 2.86Å; R498-F500 VanDerWaalsContact C-N 3.35Å; R498-I501 PolarHBondContact O-N 2.89Å; R498-D502 PolarHBondContact O-N 3.15Å
499	E	98.3	Very high	96.8	Very high	37 Å²	37	39 Å²	39	17%	0.173	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-30.6	-179.7	-59.5	-51.3	128.8	0	0	112.6	A495 D496 L503 H524 P525 F526 H531	A495-E499 PolarHBondContact O-N 3.3Å; D496-E499 PolarHBondContact O-N 3.25Å; E499-L503 WeakPolarHBondContact O-CB 3.29Å; E499-L503 PolarHBondContact O-N 3.28Å; E499-H524 PolarHBondContact O-CE1 3.28Å; E499-P525 HydrophobicContact CG-CB 4.14Å; E499-P525 WeakPolarHBondContact OE2-CB 3.42Å; E499-F526 HydrophobicContact CB-CB 3.89Å; E499-H531 HydrophobicContact CG-CB 3.84Å
500	F	98.7	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-48.9	170.2	175.7	-109.1	0	0	0	111.9	L298 I301 I391 F395 D496 R498 L503 L504 F526	L298-F500 HydrophobicContact CD1-CB 4.07Å; L298-F500 HydrophobicContact CD1-CG 4.43Å; L298-F500 HydrophobicContact CD2-CB 3.95Å; L298-F500 HydrophobicContact CD2-CD1 3.69Å; L298-F500 HydrophobicContact CD2-CD2 3.57Å; L298-F500 HydrophobicContact CD2-CE1 4.04Å; L298-F500 HydrophobicContact CD2-CE2 3.92Å; L298-F500 HydrophobicContact CD2-CG 3.44Å; L298-F500 VanDerWaalsContact CD2-CG 3.44Å; L298-F500 HydrophobicContact CD2-CZ 4.15Å; I301-F500 HydrophobicContact CG2-CE2 4.41Å; I391-F500 HydrophobicContact CB-CE2 4.16Å; I391-F500 HydrophobicContact CD1-CE2 3.89Å; I391-F500 HydrophobicContact CG1-CE2 4.04Å; I391-F500 HydrophobicContact CG1-CZ 4.35Å; F395-F500 HydrophobicContact CB-CE1 3.94Å; F395-F500 HydrophobicContact CB-CZ 3.76Å; F395-F500 AromaticContact CD1-CE1 3.86Å; F395-F500 HydrophobicContact CD1-CE1 3.86Å; F395-F500 HydrophobicContact CD2-CE1 4.01Å; F395-F500 HydrophobicContact CD2-CZ 4.44Å; F395-F500 HydrophobicContact CE1-CE1 4.37Å; F395-F500 HydrophobicContact CE2-CE1 4.5Å; F395-F500 AromaticContact CG-CE1 3.65Å; F395-F500 HydrophobicContact CG-CE1 3.65Å; F395-F500 HydrophobicContact CG-CZ 4.01Å; D496-F500 WeakPolarHBondContact O-CB 3.29Å; D496-F500 PolarHBondContact O-N 3.43Å; R498-F500 VanDerWaalsContact C-N 3.35Å; F500-L503 PolarHBondContact O-N 3.47Å; F500-L504 HydrophobicContact CE1-CD2 4.4Å; F500-L504 WeakPolarHBondContact O-CB 3.11Å; F500-L504 PolarHBondContact O-N 2.73Å; F500-F526 HydrophobicContact CB-CD2 3.8Å; F500-F526 HydrophobicContact CB-CE2 3.71Å; F500-F526 HydrophobicContact CB-CG 4.47Å; F500-F526 HydrophobicContact CB-CZ 4.32Å; F500-F526 HydrophobicContact CD2-CE1 4.07Å; F500-F526 HydrophobicContact CD2-CE2 4.06Å; F500-F526 AromaticContact CD2-CZ 3.78Å; F500-F526 HydrophobicContact CD2-CZ 3.78Å; F500-F526 HydrophobicContact CG-CE2 4.31Å; F500-F526 HydrophobicContact CG-CZ 4.47Å
501	I	98.6	Very high	97.5	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-34.7	-178.1	-67.2	-56.3	0	0	0	112.3	L473 M476 M477 R497 R498 L504 K505	L473-I501 VanDerWaalsContact O-CG2 3.28Å; L473-I501 WeakPolarHBondContact O-CG2 3.43Å; M476-I501 HydrophobicContact CB-CD1 3.62Å; M476-I501 HydrophobicContact CE-CD1 4.25Å; M476-I501 HydrophobicContact SD-CD1 4.36Å; M477-I501 HydrophobicContact CG-CB 4.19Å; M477-I501 HydrophobicContact CG-CG1 3.75Å; M477-I501 HydrophobicContact CG-CG2 4.43Å; R497-I501 WeakPolarHBondContact O-CB 3.31Å; R497-I501 WeakPolarHBondContact O-CG1 3.37Å; R497-I501 PolarHBondContact O-N 3.11Å; R498-I501 PolarHBondContact O-N 2.89Å; I501-L504 HydrophobicContact CD1-CD2 3.95Å; I501-L504 PolarHBondContact O-N 2.93Å; I501-K505 HydrophobicContact CG2-CD 4.22Å; I501-K505 WeakPolarHBondContact O-CB 3.39Å; I501-K505 VanDerWaalsContact O-CG 3.29Å; I501-K505 WeakPolarHBondContact O-CG 3.4Å; I501-K505 PolarHBondContact O-N 3.23Å
502	D	98.8	Very high	97.7	Very high	54 Å²	54	34.3 Å²	34.3	29%	0.289	15%	0.15	S	C	.	.	H	α-helix	trans	-63.2	-43.2	170.7	-172.8	56.7	0	0	0	111.4	R498 L504 K505 R506 H524	R498-D502 PolarHBondContact O-N 3.15Å; D502-L504 PolarHBondContact O-N 3.07Å; D502-K505 PolarHBondContact O-N 3.36Å; D502-R506 VanDerWaalsContact O-CG 3.23Å; D502-R506 WeakPolarHBondContact O-CG 3.4Å; D502-R506 PolarHBondContact O-N 3.36Å; D502-R506 IonicContact OD1-CZ 3.99Å; D502-R506 IonicContact OD1-NE 3.51Å; D502-R506 IonicContact OD1-NH2 3.83Å; D502-R506 IonicContact OD2-CZ 3.78Å; D502-R506 IonicContact OD2-NE 3.56Å; D502-R506 PolarHBondContact OD2-NE 3.2Å; D502-R506 IonicContact OD2-NH2 3.9Å; D502-R506 PolarHBondContact OD2-NH2 3.23Å; D502-H524 IonicContact OD2-CE1 3.49Å; D502-H524 IonicContact OD2-NE2 3.65Å; D502-H524 PolarHBondContact OD2-NE2 2.84Å
503	L	98.9	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-44.8	174.3	-173.9	49	0	0	0	112.4	L305 E499 F500 K505 R506 M507 I516 T521 H524 F526 V527	L305-L503 HydrophobicContact CD2-CD2 3.74Å; E499-L503 WeakPolarHBondContact O-CB 3.29Å; E499-L503 PolarHBondContact O-N 3.28Å; F500-L503 PolarHBondContact O-N 3.47Å; L503-K505 PolarHBondContact O-N 2.89Å; L503-R506 WeakPolarHBondContact O-CB 3.39Å; L503-R506 PolarHBondContact O-N 3.44Å; L503-R506 VanDerWaalsContact O-N 3.11Å; L503-M507 HydrophobicContact CD1-CE 3.82Å; L503-M507 HydrophobicContact CD2-CE 4.1Å; L503-M507 HydrophobicContact CG-CE 3.74Å; L503-M507 HydrophobicContact CG-SD 4.43Å; L503-M507 WeakPolarHBondContact O-CG 3.36Å; L503-M507 PolarHBondContact O-N 2.9Å; L503-I516 HydrophobicContact CD1-CD1 3.71Å; L503-I516 HydrophobicContact CD1-CG2 4.39Å; L503-T521 HydrophobicContact CD1-CG2 4.29Å; L503-T521 HydrophobicContact CD2-CG2 4.4Å; L503-H524 HydrophobicContact CD1-CB 4.04Å; L503-H524 HydrophobicContact CD2-CB 4.09Å; L503-F526 HydrophobicContact CD2-CB 4.06Å; L503-F526 HydrophobicContact CD2-CD1 3.84Å; L503-F526 HydrophobicContact CD2-CG 4.34Å; L503-V527 HydrophobicContact CD2-CG2 3.98Å
504	L	98.9	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-44.6	178	-179.8	60.3	0	0	0	111.4	G388 I391 A392 M476 F500 I501 D502 R506 M507 L508	G388-L504 WeakPolarHBondContact O-CD1 3.28Å; I391-L504 HydrophobicContact CD1-CD1 4.46Å; I391-L504 HydrophobicContact CG1-CD1 4.15Å; A392-L504 HydrophobicContact CB-CD1 4.05Å; A392-L504 HydrophobicContact CB-CD2 4.06Å; M476-L504 HydrophobicContact CE-CD2 3.6Å; M476-L504 HydrophobicContact SD-CD2 3.82Å; F500-L504 HydrophobicContact CE1-CD2 4.4Å; F500-L504 WeakPolarHBondContact O-CB 3.11Å; F500-L504 PolarHBondContact O-N 2.73Å; I501-L504 HydrophobicContact CD1-CD2 3.95Å; I501-L504 PolarHBondContact O-N 2.93Å; D502-L504 PolarHBondContact O-N 3.07Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.35Å; L504-M507 PolarHBondContact O-N 3.5Å; L504-L508 HydrophobicContact CD1-CD1 3.67Å; L504-L508 HydrophobicContact CD1-CG 3.98Å; L504-L508 HydrophobicContact CG-CD1 4.03Å; L504-L508 WeakPolarHBondContact O-CB 3.44Å; L504-L508 WeakPolarHBondContact O-CG 3.48Å; L504-L508 PolarHBondContact O-N 3.17Å
505	K	98.9	Very high	98.3	Very high	60 Å²	60	39 Å²	39	26%	0.261	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-34.4	173.3	-78.5	170.3	160.8	-173.5	0	113.3	L473 D474 I501 D502 L503 L508 R509	L473-K505 HydrophobicContact CB-CG 3.99Å; L473-K505 HydrophobicContact CD1-CG 3.89Å; D474-K505 WeakPolarHBondContact OD1-CE 3.45Å; D474-K505 IonicContact OD1-NZ 3.29Å; D474-K505 PolarHBondContact OD1-NZ 2.88Å; D474-K505 WeakPolarHBondContact OD2-CE 3.28Å; D474-K505 IonicContact OD2-NZ 2.68Å; D474-K505 PolarHBondContact OD2-NZ 3.22Å; I501-K505 HydrophobicContact CG2-CD 4.22Å; I501-K505 WeakPolarHBondContact O-CB 3.39Å; I501-K505 VanDerWaalsContact O-CG 3.29Å; I501-K505 WeakPolarHBondContact O-CG 3.4Å; I501-K505 PolarHBondContact O-N 3.23Å; D502-K505 PolarHBondContact O-N 3.36Å; L503-K505 PolarHBondContact O-N 2.89Å; K505-L508 CarbonylContact O-C 3.55Å; K505-R509 PolarHBondContact O-N 3.28Å
506	R	98.9	Very high	98.4	Very high	108 Å²	108	39 Å²	39	41%	0.408	18%	0.175	S	C	.	.	H	α-helix	trans	-74.9	-31	176.7	-68.9	172.9	-165.4	-89	-0.3	112.7	D502 L503 L504 I516 H524	D502-R506 VanDerWaalsContact O-CG 3.23Å; D502-R506 WeakPolarHBondContact O-CG 3.4Å; D502-R506 PolarHBondContact O-N 3.36Å; D502-R506 IonicContact OD1-CZ 3.99Å; D502-R506 IonicContact OD1-NE 3.51Å; D502-R506 IonicContact OD1-NH2 3.83Å; D502-R506 IonicContact OD2-CZ 3.78Å; D502-R506 IonicContact OD2-NE 3.56Å; D502-R506 PolarHBondContact OD2-NE 3.2Å; D502-R506 IonicContact OD2-NH2 3.9Å; D502-R506 PolarHBondContact OD2-NH2 3.23Å; L503-R506 WeakPolarHBondContact O-CB 3.39Å; L503-R506 PolarHBondContact O-N 3.44Å; L503-R506 VanDerWaalsContact O-N 3.11Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.35Å; R506-I516 HydrophobicContact CB-CB 3.92Å; R506-I516 HydrophobicContact CB-CD1 4.28Å; R506-I516 HydrophobicContact CB-CG2 3.89Å; R506-I516 WeakPolarHBondContact O-CG2 3.39Å; R506-I516 PolarHBondContact O-N 3.12Å; R506-H524 PolarHBondContact NE-NE2 3.41Å
507	M	98.9	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.9	-41.9	171.1	-70.6	174.4	178.8	0	0	112	L305 M384 L387 I391 L503 L504 R509 R515 I516 T521	L305-M507 HydrophobicContact CD1-CE 3.58Å; L305-M507 HydrophobicContact CD2-CE 4.28Å; M384-M507 HydrophobicContact CE-CE 4.01Å; M384-M507 HydrophobicContact CE-CG 4.04Å; L387-M507 HydrophobicContact CD2-CE 4.45Å; I391-M507 HydrophobicContact CD1-CE 4.16Å; I391-M507 HydrophobicContact CD1-SD 3.54Å; I391-M507 VanDerWaalsContact CD1-SD 3.54Å; I391-M507 HydrophobicContact CG1-SD 4.43Å; L503-M507 HydrophobicContact CD1-CE 3.82Å; L503-M507 HydrophobicContact CD2-CE 4.1Å; L503-M507 HydrophobicContact CG-CE 3.74Å; L503-M507 HydrophobicContact CG-SD 4.43Å; L503-M507 WeakPolarHBondContact O-CG 3.36Å; L503-M507 PolarHBondContact O-N 2.9Å; L504-M507 PolarHBondContact O-N 3.5Å; M507-R509 PolarHBondContact O-N 2.79Å; M507-R515 WeakPolarHBondContact O-CD 3.38Å; M507-R515 WeakPolarHBondContact O-CG 3.47Å; M507-R515 PolarHBondContact O-NE 3.35Å; M507-I516 HydrophobicContact CB-CG2 4.38Å; M507-I516 HydrophobicContact CG-CG2 3.64Å; M507-T521 HydrophobicContact CE-CG2 3.46Å; M507-T521 VanDerWaalsContact CE-CG2 3.46Å
508	L	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	33.7	179.1	-58.7	-178.6	0	0	0	112.5	W385 L400 Y401 Q417 L473 L504 K505 L510	W385-L508 HydrophobicContact CD2-CD2 3.74Å; W385-L508 HydrophobicContact CE3-CB 4.29Å; W385-L508 HydrophobicContact CE3-CD2 3.87Å; W385-L508 HydrophobicContact CG-CD2 4.29Å; W385-L508 HydrophobicContact CH2-CB 4.24Å; W385-L508 HydrophobicContact CH2-CD2 4.12Å; W385-L508 HydrophobicContact CZ2-CD2 4.03Å; W385-L508 HydrophobicContact CZ3-CB 3.89Å; W385-L508 HydrophobicContact CZ3-CD2 4.06Å; W385-L508 WeakPolarHBondContact CZ3-O 3.23Å; L400-L508 HydrophobicContact CD2-CD1 3.59Å; Y401-L508 HydrophobicContact CE2-CD1 4.39Å; Q417-L508 PolarHBondContact NE2-O 3.18Å; L473-L508 HydrophobicContact CD1-CB 4.3Å; L473-L508 HydrophobicContact CD1-CD1 4.09Å; L473-L508 HydrophobicContact CD2-CD1 4.38Å; L504-L508 HydrophobicContact CD1-CD1 3.67Å; L504-L508 HydrophobicContact CD1-CG 3.98Å; L504-L508 HydrophobicContact CG-CD1 4.03Å; L504-L508 WeakPolarHBondContact O-CB 3.44Å; L504-L508 WeakPolarHBondContact O-CG 3.48Å; L504-L508 PolarHBondContact O-N 3.17Å; K505-L508 CarbonylContact O-C 3.55Å; L508-L510 PolarHBondContact O-N 3.44Å
509	R	98.7	Very high	98.7	Very high	112 Å²	112	37.7 Å²	37.7	42%	0.423	19%	0.186	S	C	.	.			trans	-69.1	125.9	168.2	-72.9	-59.6	-167.7	172.3	1.6	109.5	K505 M507 D511 K514 R515	K505-R509 PolarHBondContact O-N 3.28Å; M507-R509 PolarHBondContact O-N 2.79Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 WeakPolarHBondContact CB-O 3.43Å; R509-D511 PolarHBondContact O-N 2.92Å; R509-K514 HydrophobicContact CB-CB 4.27Å; R509-K514 HydrophobicContact CG-CB 4.27Å; R509-R515 HydrophobicContact CB-CB 4.34Å; R509-R515 HydrophobicContact CB-CG 4.45Å; R509-R515 PolarHBondContact O-NE 3.21Å; R509-R515 PolarHBondContact O-NH2 3.27Å
510	L	98.6	Very high	98.7	Very high	22 Å²	22	42.5 Å²	42.5	12%	0.115	21%	0.206	C	C	.	.	S	Bend	trans	-65.1	-36.4	-178.8	-54.4	179.7	0	0	0	111.7	P370 W385 I413 Q417 L508	P370-L510 HydrophobicContact CG-CD2 4Å; W385-L510 HydrophobicContact CH2-CD2 3.78Å; W385-L510 HydrophobicContact CZ3-CD2 3.85Å; I413-L510 HydrophobicContact CG2-CD2 3.39Å; Q417-L510 HydrophobicContact CB-CD1 4.3Å; Q417-L510 HydrophobicContact CB-CD2 4.37Å; L508-L510 PolarHBondContact O-N 3.44Å
511	D	98.5	Very high	98.7	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-79.4	123.8	166.6	-178.5	-13.3	0	0	0	109.4	L424 R509 D513 K514	L424-D511 HydrophobicContact CD1-CB 4.18Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 WeakPolarHBondContact CB-O 3.43Å; R509-D511 PolarHBondContact O-N 2.92Å; D511-D513 PolarHBondContact OD1-N 3.12Å; D511-K514 HydrophobicContact CB-CB 4.37Å; D511-K514 HydrophobicContact CB-CD 4Å; D511-K514 HydrophobicContact CB-CG 4.08Å; D511-K514 WeakPolarHBondContact OD2-CE 3.44Å
512	A	98.4	Very high	98.7	Very high	21 Å²	21	44 Å²	44	17%	0.174	21%	0.214	C	C	.	.	S	Bend	trans	-70.5	-33.3	-177.3	0	0	0	0	0	112.9	E371 A381 K514 R515	E371-A512 WeakPolarHBondContact OE1-CB 3.48Å; A381-A512 HydrophobicContact CB-CB 4.25Å; A512-K514 VanDerWaalsContact C-N 3.26Å; A512-K514 PolarHBondContact O-N 2.93Å; A512-R515 WeakPolarHBondContact O-CB 3.41Å; A512-R515 PolarHBondContact O-N 3.43Å
513	D	97.9	Very high	98.7	Very high	148 Å²	148	44 Å²	44	79%	0.791	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-25.9	-177.7	-71.4	-23.4	0	0	0	111.7	D511	D511-D513 PolarHBondContact OD1-N 3.12Å
514	K	98.3	Very high	98.7	Very high	53 Å²	53	44.5 Å²	44.5	23%	0.23	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.4	171.7	-62.5	-174.7	-176	-161.7	0	114.1	E107 T108 R509 D511 A512	E107-K514 HydrophobicContact CG-CD 4.31Å; E107-K514 VanDerWaalsContact OE1-CD 3.3Å; E107-K514 WeakPolarHBondContact OE1-CD 3.26Å; E107-K514 IonicContact OE1-NZ 3.29Å; E107-K514 WeakPolarHBondContact OE2-CE 3.4Å; E107-K514 IonicContact OE2-NZ 3.61Å; E107-K514 PolarHBondContact OE2-NZ 2.63Å; T108-K514 VanDerWaalsContact CB-CE 3.48Å; T108-K514 PolarHBondContact OG1-NZ 2.9Å; R509-K514 HydrophobicContact CB-CB 4.27Å; R509-K514 HydrophobicContact CG-CB 4.27Å; D511-K514 HydrophobicContact CB-CB 4.37Å; D511-K514 HydrophobicContact CB-CD 4Å; D511-K514 HydrophobicContact CB-CG 4.08Å; D511-K514 WeakPolarHBondContact OD2-CE 3.44Å; A512-K514 VanDerWaalsContact C-N 3.26Å; A512-K514 PolarHBondContact O-N 2.93Å
515	R	98.8	Very high	98.6	Very high	8 Å²	8	46.5 Å²	46.5	3%	0.03	24%	0.242	C	C	.	.	S	Bend	trans	-69.3	142.3	-168.7	-158.8	173.9	-66	146.9	6.5	110.7	E371 A381 M384 M507 R509 A512 T517	E371-R515 IonicContact OE1-CZ 3.97Å; E371-R515 IonicContact OE1-NH1 2.66Å; E371-R515 PolarHBondContact OE1-NH1 3.33Å; E371-R515 IonicContact OE1-NH2 2.69Å; E371-R515 PolarHBondContact OE1-NH2 3.25Å; E371-R515 IonicContact OE2-CZ 2.76Å; E371-R515 IonicContact OE2-NH1 2.74Å; E371-R515 IonicContact OE2-NH2 2.7Å; E371-R515 PolarHBondContact OE2-NH2 3Å; A381-R515 WeakPolarHBondContact O-CD 3.46Å; A381-R515 PolarHBondContact O-NH1 3.33Å; M384-R515 HydrophobicContact CB-CG 4.47Å; M507-R515 WeakPolarHBondContact O-CD 3.38Å; M507-R515 WeakPolarHBondContact O-CG 3.47Å; M507-R515 PolarHBondContact O-NE 3.35Å; R509-R515 HydrophobicContact CB-CB 4.34Å; R509-R515 HydrophobicContact CB-CG 4.45Å; R509-R515 PolarHBondContact O-NE 3.21Å; R509-R515 PolarHBondContact O-NH2 3.27Å; A512-R515 WeakPolarHBondContact O-CB 3.41Å; A512-R515 PolarHBondContact O-N 3.43Å; R515-T517 PolarHBondContact O-N 2.63Å
516	I	98.8	Very high	98.6	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.077	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66.4	129	-179.2	-165.8	171	0	0	0	110.7	M384 L503 R506 M507 K520 T521	M384-I516 HydrophobicContact CE-CG2 4.12Å; M384-I516 WeakPolarHBondContact CE-O 3.16Å; M384-I516 WeakPolarHBondContact CG-O 3.12Å; L503-I516 HydrophobicContact CD1-CD1 3.71Å; L503-I516 HydrophobicContact CD1-CG2 4.39Å; R506-I516 HydrophobicContact CB-CB 3.92Å; R506-I516 HydrophobicContact CB-CD1 4.28Å; R506-I516 HydrophobicContact CB-CG2 3.89Å; R506-I516 WeakPolarHBondContact O-CG2 3.39Å; R506-I516 PolarHBondContact O-N 3.12Å; M507-I516 HydrophobicContact CB-CG2 4.38Å; M507-I516 HydrophobicContact CG-CG2 3.64Å; I516-K520 HydrophobicContact CD1-CB 3.99Å; I516-K520 HydrophobicContact CG1-CB 3.45Å; I516-K520 VanDerWaalsContact CG1-CB 3.45Å; I516-T521 WeakPolarHBondContact CG2-OG1 3.27Å
517	T	98.9	Very high	98.6	Very high	47 Å²	47	39 Å²	39	29%	0.288	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-79.1	155.2	176.4	58.9	0	0	0	0	110.6	R515 T519 K520 T521	R515-T517 PolarHBondContact O-N 2.63Å; T517-T519 VanDerWaalsContact C-N 3.27Å; T517-T519 PolarHBondContact O-N 3.02Å; T517-T519 VanDerWaalsContact O-N 3.16Å; T517-K520 WeakPolarHBondContact O-CA 3.46Å; T517-K520 WeakPolarHBondContact O-CB 3.36Å; T517-K520 PolarHBondContact O-N 2.74Å; T517-K520 WeakPolarHBondContact OG1-CG 3.28Å; T517-T521 PolarHBondContact O-N 2.91Å
518	P	98.8	Very high	98.5	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-52.5	-41.9	-177.9	-24.5	29.2	0	0	0	113.9	A309 L312 M313 M384 K520 T521 L522	A309-P518 WeakPolarHBondContact O-CB 3.33Å; L312-P518 HydrophobicContact CB-CB 4.12Å; L312-P518 HydrophobicContact CB-CG 3.74Å; M313-P518 HydrophobicContact CB-CB 3.77Å; M313-P518 VanDerWaalsContact N-CB 3.32Å; M384-P518 HydrophobicContact CG-CG 4.14Å; M384-P518 HydrophobicContact SD-CB 4.12Å; M384-P518 HydrophobicContact SD-CG 3.6Å; P518-K520 PolarHBondContact O-N 3Å; P518-T521 WeakPolarHBondContact O-CB 3.5Å; P518-T521 PolarHBondContact O-N 3.35Å; P518-L522 WeakPolarHBondContact O-CG 3.38Å; P518-L522 PolarHBondContact O-N 3.43Å
519	T	98.5	Very high	98.4	Very high	88 Å²	88	42.5 Å²	42.5	54%	0.54	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-38.4	176.6	-42.4	0	0	0	0	112.8	M313 T517 G523	M313-T519 HydrophobicContact SD-CG2 4.33Å; T517-T519 VanDerWaalsContact C-N 3.27Å; T517-T519 PolarHBondContact O-N 3.02Å; T517-T519 VanDerWaalsContact O-N 3.16Å; T519-G523 PolarHBondContact O-N 2.96Å
520	K	98.7	Very high	98.4	Very high	139 Å²	139	39.8 Å²	39.8	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-71.2	-34.5	175.1	-70.9	176	-178.2	175.9	0	111.4	I516 T517 P518 G523 H524	I516-K520 HydrophobicContact CD1-CB 3.99Å; I516-K520 HydrophobicContact CG1-CB 3.45Å; I516-K520 VanDerWaalsContact CG1-CB 3.45Å; T517-K520 WeakPolarHBondContact O-CA 3.46Å; T517-K520 WeakPolarHBondContact O-CB 3.36Å; T517-K520 PolarHBondContact O-N 2.74Å; T517-K520 WeakPolarHBondContact OG1-CG 3.28Å; P518-K520 PolarHBondContact O-N 3Å; K520-G523 CarbonylContact O-C 3.56Å; K520-G523 PolarHBondContact O-N 2.64Å; K520-H524 PolarHBondContact O-N 3.29Å
521	T	98.8	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-44.7	172.4	-69.4	0	0	0	0	111.9	L305 A309 M384 L503 M507 I516 T517 P518 G523 H524 V527	L305-T521 HydrophobicContact CD1-CG2 4.22Å; A309-T521 HydrophobicContact CB-CG2 3.81Å; M384-T521 HydrophobicContact CE-CG2 4.49Å; M384-T521 VanDerWaalsContact CE-OG1 3.26Å; M384-T521 WeakPolarHBondContact CE-OG1 3.22Å; L503-T521 HydrophobicContact CD1-CG2 4.29Å; L503-T521 HydrophobicContact CD2-CG2 4.4Å; M507-T521 HydrophobicContact CE-CG2 3.46Å; M507-T521 VanDerWaalsContact CE-CG2 3.46Å; I516-T521 WeakPolarHBondContact CG2-OG1 3.27Å; T517-T521 PolarHBondContact O-N 2.91Å; P518-T521 WeakPolarHBondContact O-CB 3.5Å; P518-T521 PolarHBondContact O-N 3.35Å; T521-G523 PolarHBondContact O-N 3.44Å; T521-H524 WeakPolarHBondContact O-CB 3.32Å; T521-H524 PolarHBondContact O-N 3.17Å; T521-V527 WeakPolarHBondContact O-CG2 3.46Å
522	L	98.6	Very high	98.1	Very high	35 Å²	35	39.4 Å²	39.4	18%	0.183	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-29.8	176.9	-68.8	170.5	0	0	0	112.6	Q306 A309 M313 P518 T528	Q306-L522 HydrophobicContact CG-CD2 3.98Å; Q306-L522 WeakPolarHBondContact O-CD2 3.41Å; A309-L522 HydrophobicContact CB-CD2 3.9Å; A309-L522 HydrophobicContact CB-CG 4.13Å; M313-L522 HydrophobicContact CB-CD1 4.35Å; M313-L522 HydrophobicContact CE-CD1 3.94Å; M313-L522 HydrophobicContact SD-CD1 3.69Å; P518-L522 WeakPolarHBondContact O-CG 3.38Å; P518-L522 PolarHBondContact O-N 3.43Å; L522-T528 WeakPolarHBondContact O-CG2 3.42Å
523	G	98.4	Very high	97.8	Very high	52 Å²	52	43.8 Å²	43.8	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	0.4	172.3	0	0	0	0	0	115.7	T519 K520 T521	T519-G523 PolarHBondContact O-N 2.96Å; K520-G523 CarbonylContact O-C 3.56Å; K520-G523 PolarHBondContact O-N 2.64Å; T521-G523 PolarHBondContact O-N 3.44Å
524	H	98.8	Very high	97.5	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.056	24%	0.244	C	C	.	.	S	Bend	trans	-70.2	146.3	-175.1	-156.8	-100.3	0	0	0	112.2	E499 D502 L503 R506 K520 T521 F526 V527 T528	E499-H524 PolarHBondContact O-CE1 3.28Å; D502-H524 IonicContact OD2-CE1 3.49Å; D502-H524 IonicContact OD2-NE2 3.65Å; D502-H524 PolarHBondContact OD2-NE2 2.84Å; L503-H524 HydrophobicContact CD1-CB 4.04Å; L503-H524 HydrophobicContact CD2-CB 4.09Å; R506-H524 PolarHBondContact NE-NE2 3.41Å; K520-H524 PolarHBondContact O-N 3.29Å; T521-H524 WeakPolarHBondContact O-CB 3.32Å; T521-H524 PolarHBondContact O-N 3.17Å; H524-F526 PolarHBondContact ND1-N 2.99Å; H524-F526 PolarHBondContact O-N 2.98Å; H524-F526 VanDerWaalsContact O-N 3.16Å; H524-V527 PolarHBondContact O-N 3.46Å; H524-T528 PolarHBondContact O-N 3.44Å; H524-T528 PolarHBondContact O-OG1 3Å
525	P	98.5	Very high	97.2	Very high	42 Å²	42	43.2 Å²	43.2	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-54	-33.9	175.3	-29.4	36.1	0	0	0	114.4	E499 T528 M529 S530 H531	E499-P525 HydrophobicContact CG-CB 4.14Å; E499-P525 WeakPolarHBondContact OE2-CB 3.42Å; P525-T528 WeakPolarHBondContact CA-OG1 3.5Å; P525-M529 VanDerWaalsContact O-CA 3.27Å; P525-M529 WeakPolarHBondContact O-CA 3.47Å; P525-M529 PolarHBondContact O-N 3.02Å; P525-S530 WeakPolarHBondContact CA-OG 3.38Å; P525-S530 PolarHBondContact O-N 3.48Å; P525-H531 PolarHBondContact O-CE1 2.85Å; P525-H531 VanDerWaalsContact O-CE1 3.28Å; P525-H531 PolarHBondContact O-ND1 3.2Å
526	F	98.6	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-45.6	173.9	179.7	-105.9	0	0	0	112.9	L298 R302 L305 D496 E499 F500 L503 H524	L298-F526 HydrophobicContact CB-CE2 4.17Å; L298-F526 HydrophobicContact CB-CZ 4.32Å; L298-F526 HydrophobicContact CD1-CE2 4.31Å; L298-F526 HydrophobicContact CD2-CE2 4.28Å; L298-F526 HydrophobicContact CD2-CZ 4.27Å; L298-F526 HydrophobicContact CG-CE2 4.5Å; R302-F526 HydrophobicContact CB-CE1 3.95Å; R302-F526 HydrophobicContact CB-CZ 3.95Å; R302-F526 WeakPolarHBondContact CD-O 3.49Å; R302-F526 HydrophobicContact CG-CD1 4.35Å; R302-F526 HydrophobicContact CG-CE1 3.94Å; R302-F526 HydrophobicContact CG-CZ 4.26Å; R302-F526 PolarHBondContact NE-O 3.48Å; L305-F526 HydrophobicContact CD2-CD1 3.9Å; L305-F526 HydrophobicContact CD2-CE1 3.79Å; D496-F526 VanDerWaalsContact OD1-CD2 3.28Å; D496-F526 WeakPolarHBondContact OD1-CD2 3.33Å; D496-F526 WeakPolarHBondContact OD1-CE2 3.34Å; E499-F526 HydrophobicContact CB-CB 3.89Å; F500-F526 HydrophobicContact CB-CD2 3.8Å; F500-F526 HydrophobicContact CB-CE2 3.71Å; F500-F526 HydrophobicContact CB-CG 4.47Å; F500-F526 HydrophobicContact CB-CZ 4.32Å; F500-F526 HydrophobicContact CD2-CE1 4.07Å; F500-F526 HydrophobicContact CD2-CE2 4.06Å; F500-F526 AromaticContact CD2-CZ 3.78Å; F500-F526 HydrophobicContact CD2-CZ 3.78Å; F500-F526 HydrophobicContact CG-CE2 4.31Å; F500-F526 HydrophobicContact CG-CZ 4.47Å; L503-F526 HydrophobicContact CD2-CB 4.06Å; L503-F526 HydrophobicContact CD2-CD1 3.84Å; L503-F526 HydrophobicContact CD2-CG 4.34Å; H524-F526 PolarHBondContact ND1-N 2.99Å; H524-F526 PolarHBondContact O-N 2.98Å; H524-F526 VanDerWaalsContact O-N 3.16Å
527	V	98.3	Very high	96.1	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-80.8	-41.4	-175.6	179.5	0	0	0	0	111.2	L305 Q306 L503 T521 H524 M529	L305-V527 HydrophobicContact CD2-CG2 4.09Å; L305-V527 HydrophobicContact CG-CG2 4.43Å; Q306-V527 HydrophobicContact CB-CG1 4.03Å; Q306-V527 HydrophobicContact CG-CG1 3.87Å; L503-V527 HydrophobicContact CD2-CG2 3.98Å; T521-V527 WeakPolarHBondContact O-CG2 3.46Å; H524-V527 PolarHBondContact O-N 3.46Å; V527-M529 VanDerWaalsContact C-N 3.26Å; V527-M529 PolarHBondContact O-N 2.77Å
528	T	97.6	Very high	95.8	Very high	71 Å²	71	51.3 Å²	51.3	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-76.6	-10.2	177.2	58.4	0	0	0	0	113.8	L522 H524 P525 S530	L522-T528 WeakPolarHBondContact O-CG2 3.42Å; H524-T528 PolarHBondContact O-N 3.44Å; H524-T528 PolarHBondContact O-OG1 3Å; P525-T528 WeakPolarHBondContact CA-OG1 3.5Å; T528-S530 PolarHBondContact O-N 3.31Å; T528-S530 VanDerWaalsContact O-N 3.12Å
529	M	97.1	Very high	95.4	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	31%	0.307	C	S	.	.			trans	57.3	16.7	-177.2	-62.4	177.8	47.5	0	0	115.6	P525 V527 H531 L532 C544 F545 M548	P525-M529 VanDerWaalsContact O-CA 3.27Å; P525-M529 WeakPolarHBondContact O-CA 3.47Å; P525-M529 PolarHBondContact O-N 3.02Å; V527-M529 VanDerWaalsContact C-N 3.26Å; V527-M529 PolarHBondContact O-N 2.77Å; M529-H531 PolarHBondContact O-N 3.11Å; M529-L532 HydrophobicContact CB-CD1 4.3Å; M529-L532 HydrophobicContact CE-CD1 3.82Å; M529-L532 HydrophobicContact CG-CD1 4.27Å; M529-L532 WeakPolarHBondContact O-CB 3.39Å; M529-L532 PolarHBondContact O-N 3.12Å; M529-C544 HydrophobicContact CE-CB 3.29Å; M529-C544 HydrophobicContact SD-CB 3.96Å; M529-F545 HydrophobicContact CB-CE1 4.11Å; M529-F545 HydrophobicContact CB-CZ 4.21Å; M529-F545 HydrophobicContact CE-CB 4.19Å; M529-F545 HydrophobicContact CE-CD1 3.45Å; M529-F545 VanDerWaalsContact CE-CD1 3.45Å; M529-F545 HydrophobicContact CE-CD2 3.48Å; M529-F545 VanDerWaalsContact CE-CD2 3.48Å; M529-F545 HydrophobicContact CE-CE1 3.56Å; M529-F545 HydrophobicContact CE-CE2 3.59Å; M529-F545 HydrophobicContact CE-CG 3.41Å; M529-F545 VanDerWaalsContact CE-CG 3.41Å; M529-F545 HydrophobicContact CE-CZ 3.63Å; M529-F545 HydrophobicContact SD-CD1 3.91Å; M529-F545 HydrophobicContact SD-CE1 4.09Å; M529-F545 HydrophobicContact SD-CG 4.33Å; M529-M548 HydrophobicContact SD-CB 4.45Å; M529-M548 HydrophobicContact SD-CG 3.73Å
530	S	97.1	Very high	95	Very high	55 Å²	55	50.4 Å²	50.4	39%	0.385	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-58.2	-34.6	-176.1	56.9	0	0	0	0	113.6	P525 T528 L532 I533	P525-S530 WeakPolarHBondContact CA-OG 3.38Å; P525-S530 PolarHBondContact O-N 3.48Å; T528-S530 PolarHBondContact O-N 3.31Å; T528-S530 VanDerWaalsContact O-N 3.12Å; S530-L532 PolarHBondContact O-N 2.95Å; S530-I533 WeakPolarHBondContact O-CB 3.28Å; S530-I533 WeakPolarHBondContact O-CG1 3.13Å; S530-I533 PolarHBondContact O-N 3.17Å
531	H	96.2	Very high	94.8	Very high	24 Å²	24	44 Å²	44	11%	0.111	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.5	-21.7	175.1	68.4	-73.9	0	0	0	114.4	D496 E499 P525 M529	D496-H531 WeakPolarHBondContact CA-NE2 3.37Å; D496-H531 IonicContact OD1-CE1 3.4Å; D496-H531 IonicContact OD1-NE2 3.64Å; E499-H531 HydrophobicContact CG-CB 3.84Å; P525-H531 PolarHBondContact O-CE1 2.85Å; P525-H531 VanDerWaalsContact O-CE1 3.28Å; P525-H531 PolarHBondContact O-ND1 3.2Å; M529-H531 PolarHBondContact O-N 3.11Å
532	L	95.9	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-89	-11.4	-177.9	-62.5	177.2	0	0	0	113.8	A492 D496 M529 S530 N534 Y535 V541 C544	A492-L532 HydrophobicContact CB-CD2 4.43Å; D496-L532 HydrophobicContact CB-CD2 4.3Å; M529-L532 HydrophobicContact CB-CD1 4.3Å; M529-L532 HydrophobicContact CE-CD1 3.82Å; M529-L532 HydrophobicContact CG-CD1 4.27Å; M529-L532 WeakPolarHBondContact O-CB 3.39Å; M529-L532 PolarHBondContact O-N 3.12Å; S530-L532 PolarHBondContact O-N 2.95Å; L532-N534 PolarHBondContact O-N 3.2Å; L532-N534 VanDerWaalsContact O-N 3.13Å; L532-Y535 PolarHBondContact O-N 3.27Å; L532-V541 HydrophobicContact CB-CG1 3.98Å; L532-V541 HydrophobicContact CB-CG2 3.81Å; L532-V541 HydrophobicContact CD1-CG2 4.31Å; L532-V541 HydrophobicContact CD2-CG2 4Å; L532-V541 HydrophobicContact CG-CG2 4.22Å; L532-C544 HydrophobicContact CD1-CB 4.26Å
533	I	92.3	Very high	94.3	Very high	113 Å²	113	49.5 Å²	49.5	58%	0.579	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.8	-180	-63	174	0	0	0	111.6	S530 Y535	S530-I533 WeakPolarHBondContact O-CB 3.28Å; S530-I533 WeakPolarHBondContact O-CG1 3.13Å; S530-I533 PolarHBondContact O-N 3.17Å; I533-Y535 PolarHBondContact O-N 3.15Å
534	N	90.9	Very high	94.2	Very high	127 Å²	127	47 Å²	47	68%	0.679	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.5	179.2	-62.4	-36.7	0	0	0	114.5	L532 P536	L532-N534 PolarHBondContact O-N 3.2Å; L532-N534 VanDerWaalsContact O-N 3.13Å; N534-P536 WeakPolarHBondContact O-CD 3.21Å
535	Y	92.9	Very high	94	Very high	61 Å²	61	50.4 Å²	50.4	24%	0.239	27%	0.271	C	S	.	.			trans	-122.6	51.8	-178.6	-51	-82.3	0	0	0	112.3	L491 A492 A495 L532 I533 H537 S538	L491-Y535 HydrophobicContact CB-CD1 4.28Å; L491-Y535 HydrophobicContact CB-CE1 3.68Å; A492-Y535 HydrophobicContact CB-CD2 4.19Å; A492-Y535 HydrophobicContact CB-CG 4.03Å; A495-Y535 HydrophobicContact CB-CE2 3.93Å; L532-Y535 PolarHBondContact O-N 3.27Å; I533-Y535 PolarHBondContact O-N 3.15Å; Y535-H537 PolarHBondContact O-N 2.74Å; Y535-S538 WeakPolarHBondContact O-CB 3.43Å; Y535-S538 PolarHBondContact O-N 2.74Å
536	P	85.2	Confident	93.8	Very high	83 Å²	83	54.9 Å²	54.9	54%	0.539	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.3	-166.3	27.2	-36.9	0	0	0	114.8	N534	N534-P536 WeakPolarHBondContact O-CD 3.21Å
537	H	87.4	Confident	93.6	Very high	156 Å²	156	56.3 Å²	56.3	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.1	179.2	-57.8	-61.9	0	0	0	113.8	Y535 K542	Y535-H537 PolarHBondContact O-N 2.74Å; H537-K542 PolarHBondContact O-NZ 3.39Å
538	S	92.7	Very high	93.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	30%	0.298	C	S	.	.			trans	-54.9	134.3	-177.9	162.4	0	0	0	0	112.7	D489 Y535 H540 V541 K542	D489-S538 VanDerWaalsContact OD1-CA 3.28Å; D489-S538 WeakPolarHBondContact OD1-CA 3.39Å; D489-S538 WeakPolarHBondContact OD1-CB 3.5Å; D489-S538 PolarHBondContact OD1-OG 3.31Å; Y535-S538 WeakPolarHBondContact O-CB 3.43Å; Y535-S538 PolarHBondContact O-N 2.74Å; S538-H540 PolarHBondContact OG-N 3.47Å; S538-V541 WeakPolarHBondContact OG-CG2 3.34Å; S538-V541 PolarHBondContact OG-N 3.15Å; S538-K542 WeakPolarHBondContact O-CD 3.44Å; S538-K542 WeakPolarHBondContact O-CG 3.44Å; S538-K542 PolarHBondContact O-N 3.36Å
539	S	91.5	Very high	93.3	Very high	70 Å²	70	57.9 Å²	57.9	49%	0.49	30%	0.297	S	S	.	.	H	α-helix	trans	-70.2	-38	171.9	73.3	0	0	0	0	111.2	D489 K542 S543	D489-S539 VanDerWaalsContact CG-OG 3.27Å; D489-S539 PolarHBondContact OD1-N 2.78Å; D489-S539 PolarHBondContact OD1-OG 3.24Å; D489-S539 WeakPolarHBondContact OD2-CB 3.19Å; D489-S539 PolarHBondContact OD2-N 3.41Å; D489-S539 PolarHBondContact OD2-OG 3.16Å; S539-K542 PolarHBondContact O-N 3.4Å; S539-S543 PolarHBondContact O-N 2.86Å
540	H	90.4	Very high	93.1	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.019	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.6	174.8	82.2	0	0	0	111.9	R299 D489 E493 D496 S538 S543 C544	R299-H540 PolarHBondContact NH1-ND1 3.12Å; D489-H540 PolarHBondContact OD1-N 3.12Å; E493-H540 IonicContact OE2-CE1 2.72Å; E493-H540 PolarHBondContact OE2-CE1 3.42Å; E493-H540 IonicContact OE2-ND1 3.5Å; E493-H540 IonicContact OE2-NE2 2.74Å; D496-H540 IonicContact OD2-CE1 3.39Å; D496-H540 IonicContact OD2-NE2 2.74Å; D496-H540 PolarHBondContact OD2-NE2 3.06Å; S538-H540 PolarHBondContact OG-N 3.47Å; H540-S543 PolarHBondContact O-N 2.99Å; H540-C544 PolarHBondContact NE2-SG 3.41Å; H540-C544 VanDerWaalsContact NE2-SG 3.44Å; H540-C544 PolarHBondContact O-N 3.32Å; H540-C544 PolarHBondContact O-SG 3.04Å
541	V	94	Very high	92.8	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-41.6	179.3	173.8	0	0	0	0	112	A492 L532 S538 S543 C544 F545	A492-V541 HydrophobicContact CB-CG2 3.82Å; L532-V541 HydrophobicContact CB-CG1 3.98Å; L532-V541 HydrophobicContact CB-CG2 3.81Å; L532-V541 HydrophobicContact CD1-CG2 4.31Å; L532-V541 HydrophobicContact CD2-CG2 4Å; L532-V541 HydrophobicContact CG-CG2 4.22Å; S538-V541 WeakPolarHBondContact OG-CG2 3.34Å; S538-V541 PolarHBondContact OG-N 3.15Å; V541-S543 VanDerWaalsContact C-N 3.35Å; V541-S543 PolarHBondContact O-N 2.94Å; V541-C544 WeakPolarHBondContact O-CB 3.5Å; V541-C544 PolarHBondContact O-N 3.23Å; V541-F545 HydrophobicContact CG1-CD2 3.77Å; V541-F545 HydrophobicContact CG1-CE2 3.55Å; V541-F545 WeakPolarHBondContact O-CD2 3.33Å; V541-F545 PolarHBondContact O-N 3.3Å
542	K	93.7	Very high	92.2	Very high	121 Å²	121	63 Å²	63	53%	0.526	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-46.9	174	-70.9	162.1	-176.7	159.5	0	111.4	H537 S538 S539 C544 F545 Q546	H537-K542 PolarHBondContact O-NZ 3.39Å; S538-K542 WeakPolarHBondContact O-CD 3.44Å; S538-K542 WeakPolarHBondContact O-CG 3.44Å; S538-K542 PolarHBondContact O-N 3.36Å; S539-K542 PolarHBondContact O-N 3.4Å; K542-C544 VanDerWaalsContact C-N 3.34Å; K542-C544 PolarHBondContact O-N 2.93Å; K542-F545 PolarHBondContact O-N 2.97Å; K542-Q546 WeakPolarHBondContact O-CB 3.5Å; K542-Q546 PolarHBondContact O-N 2.72Å
543	S	93.6	Very high	90.6	Very high	30 Å²	30	73 Å²	73	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-36	176.4	-175.3	0	0	0	0	112.5	R299 S539 H540 V541 Q546 N547	R299-S543 VanDerWaalsContact CD-OG 3.28Å; R299-S543 WeakPolarHBondContact CD-OG 3.19Å; S539-S543 PolarHBondContact O-N 2.86Å; H540-S543 PolarHBondContact O-N 2.99Å; V541-S543 VanDerWaalsContact C-N 3.35Å; V541-S543 PolarHBondContact O-N 2.94Å; S543-Q546 PolarHBondContact O-N 3.4Å; S543-N547 WeakPolarHBondContact O-CB 3.39Å; S543-N547 PolarHBondContact O-N 3.48Å; S543-N547 PolarHBondContact O-ND2 2.97Å; S543-N547 PolarHBondContact O-OD1 2.96Å
544	C	94.8	Very high	88.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-44.9	172.8	-72.2	0	0	0	0	112.4	R299 R302 M529 L532 H540 V541 K542 M548	R299-C544 HydrophobicContact CB-CB 4.48Å; R299-C544 VanDerWaalsContact CB-SG 3.55Å; R302-C544 VanDerWaalsContact NH1-CB 3.31Å; R302-C544 PolarHBondContact NH1-SG 3.46Å; M529-C544 HydrophobicContact CE-CB 3.29Å; M529-C544 HydrophobicContact SD-CB 3.96Å; L532-C544 HydrophobicContact CD1-CB 4.26Å; H540-C544 PolarHBondContact NE2-SG 3.41Å; H540-C544 VanDerWaalsContact NE2-SG 3.44Å; H540-C544 PolarHBondContact O-N 3.32Å; H540-C544 PolarHBondContact O-SG 3.04Å; V541-C544 WeakPolarHBondContact O-CB 3.5Å; V541-C544 PolarHBondContact O-N 3.23Å; K542-C544 VanDerWaalsContact C-N 3.34Å; K542-C544 PolarHBondContact O-N 2.93Å; C544-M548 WeakPolarHBondContact O-CG 3.44Å; C544-M548 PolarHBondContact O-N 3.5Å
545	F	94.8	Very high	85.7	Confident	84 Å²	84	77 Å²	77	37%	0.368	37%	0.367	S	S	.	.	H	α-helix	trans	-68.5	-44.2	178.9	-80.1	-65.8	0	0	0	110.9	M529 V541 K542 N547 M548 E549	M529-F545 HydrophobicContact CB-CE1 4.11Å; M529-F545 HydrophobicContact CB-CZ 4.21Å; M529-F545 HydrophobicContact CE-CB 4.19Å; M529-F545 HydrophobicContact CE-CD1 3.45Å; M529-F545 VanDerWaalsContact CE-CD1 3.45Å; M529-F545 HydrophobicContact CE-CD2 3.48Å; M529-F545 VanDerWaalsContact CE-CD2 3.48Å; M529-F545 HydrophobicContact CE-CE1 3.56Å; M529-F545 HydrophobicContact CE-CE2 3.59Å; M529-F545 HydrophobicContact CE-CG 3.41Å; M529-F545 VanDerWaalsContact CE-CG 3.41Å; M529-F545 HydrophobicContact CE-CZ 3.63Å; M529-F545 HydrophobicContact SD-CD1 3.91Å; M529-F545 HydrophobicContact SD-CE1 4.09Å; M529-F545 HydrophobicContact SD-CG 4.33Å; V541-F545 HydrophobicContact CG1-CD2 3.77Å; V541-F545 HydrophobicContact CG1-CE2 3.55Å; V541-F545 WeakPolarHBondContact O-CD2 3.33Å; V541-F545 PolarHBondContact O-N 3.3Å; K542-F545 PolarHBondContact O-N 2.97Å; F545-N547 VanDerWaalsContact C-N 3.3Å; F545-N547 PolarHBondContact O-N 3Å; F545-M548 WeakPolarHBondContact O-CA 3.28Å; F545-M548 PolarHBondContact O-N 2.85Å; F545-E549 PolarHBondContact O-N 2.76Å
546	Q	94.7	Very high	83.2	Confident	136 Å²	136	80.5 Å²	80.5	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-55.3	-43.1	176.1	-174.4	-179.8	8.3	0	0	112.4	K542 S543 M548 E549	K542-Q546 WeakPolarHBondContact O-CB 3.5Å; K542-Q546 PolarHBondContact O-N 2.72Å; S543-Q546 PolarHBondContact O-N 3.4Å; Q546-M548 VanDerWaalsContact C-N 3.29Å; Q546-M548 PolarHBondContact O-N 3.23Å; Q546-E549 WeakPolarHBondContact O-CB 3.19Å; Q546-E549 VanDerWaalsContact O-CG 3.31Å; Q546-E549 WeakPolarHBondContact O-CG 3.3Å; Q546-E549 PolarHBondContact O-N 3.03Å
547	N	94.7	Very high	80.7	Confident	30 Å²	30	86.7 Å²	86.7	16%	0.16	41%	0.41	C	S	.	.	H	α-helix	trans	-70.9	-24.1	177.9	-67	-11.1	0	0	0	113	R299 H300 S543 F545 E549 I550	R299-N547 VanDerWaalsContact O-CB 3.28Å; R299-N547 WeakPolarHBondContact O-CB 3.42Å; R299-N547 PolarHBondContact O-ND2 3.06Å; H300-N547 PolarHBondContact CD2-ND2 3.14Å; H300-N547 VanDerWaalsContact CD2-ND2 3.28Å; S543-N547 WeakPolarHBondContact O-CB 3.39Å; S543-N547 PolarHBondContact O-N 3.48Å; S543-N547 PolarHBondContact O-ND2 2.97Å; S543-N547 PolarHBondContact O-OD1 2.96Å; F545-N547 VanDerWaalsContact C-N 3.3Å; F545-N547 PolarHBondContact O-N 3Å; N547-E549 VanDerWaalsContact C-N 3.34Å; N547-I550 WeakPolarHBondContact O-CG2 3.36Å
548	M	95.4	Very high	77.9	Confident	20 Å²	20	85.4 Å²	85.4	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-83.1	-6.8	175.7	-69.5	-62.2	-68.6	0	0	113.5	R302 P303 Q306 M529 C544 F545 Q546 I550 C551 K552	R302-M548 HydrophobicContact CB-SD 4.02Å; R302-M548 HydrophobicContact CG-CE 4.16Å; R302-M548 HydrophobicContact CG-SD 3.58Å; R302-M548 VanDerWaalsContact CG-SD 3.58Å; P303-M548 HydrophobicContact CB-SD 3.96Å; Q306-M548 HydrophobicContact CB-CE 4.02Å; Q306-M548 HydrophobicContact CG-CE 4.05Å; M529-M548 HydrophobicContact SD-CB 4.45Å; M529-M548 HydrophobicContact SD-CG 3.73Å; C544-M548 WeakPolarHBondContact O-CG 3.44Å; C544-M548 PolarHBondContact O-N 3.5Å; F545-M548 WeakPolarHBondContact O-CA 3.28Å; F545-M548 PolarHBondContact O-N 2.85Å; Q546-M548 VanDerWaalsContact C-N 3.29Å; Q546-M548 PolarHBondContact O-N 3.23Å; M548-I550 PolarHBondContact O-N 3.02Å; M548-C551 HydrophobicContact CE-CB 4.13Å; M548-C551 WeakPolarHBondContact O-CB 3.44Å; M548-C551 PolarHBondContact O-N 3.13Å; M548-K552 PolarHBondContact O-N 3.34Å
549	E	93.4	Very high	75.2	Confident	92 Å²	92	91 Å²	91	43%	0.43	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-60.1	-29.8	172.9	-59.4	-58.5	145	0	0	112.1	F545 Q546 N547 C551 K552	F545-E549 PolarHBondContact O-N 2.76Å; Q546-E549 WeakPolarHBondContact O-CB 3.19Å; Q546-E549 VanDerWaalsContact O-CG 3.31Å; Q546-E549 WeakPolarHBondContact O-CG 3.3Å; Q546-E549 PolarHBondContact O-N 3.03Å; N547-E549 VanDerWaalsContact C-N 3.34Å; E549-C551 PolarHBondContact O-N 3.05Å; E549-K552 PolarHBondContact O-N 2.95Å; E549-K552 WeakPolarHBondContact OE1-CE 3.21Å; E549-K552 IonicContact OE1-NZ 3.43Å; E549-K552 PolarHBondContact OE1-NZ 3.49Å; E549-K552 VanDerWaalsContact OE2-CD 3.29Å; E549-K552 WeakPolarHBondContact OE2-CD 3.47Å; E549-K552 WeakPolarHBondContact OE2-CE 3.28Å; E549-K552 IonicContact OE2-NZ 2.71Å; E549-K552 PolarHBondContact OE2-NZ 3.38Å
550	I	93.4	Very high	72.4	Confident	51 Å²	51	91.8 Å²	91.8	26%	0.262	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.3	175.7	-160.5	60.7	0	0	0	112.9	P303 Q338 R341 N547 M548	P303-I550 HydrophobicContact CB-CG2 3.79Å; Q338-I550 HydrophobicContact CB-CD1 4.34Å; R341-I550 HydrophobicContact CB-CD1 4.14Å; R341-I550 HydrophobicContact CB-CG1 3.82Å; R341-I550 HydrophobicContact CG-CG1 4.23Å; N547-I550 WeakPolarHBondContact O-CG2 3.36Å; M548-I550 PolarHBondContact O-N 3.02Å
551	C	91.8	Very high	69.9	Low	24 Å²	24	101.4 Å²	101.4	16%	0.162	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-88.3	-12.2	178.3	-64.5	0	0	0	0	113.1	P303 Q306 M548 E549	P303-C551 VanDerWaalsContact CA-SG 3.52Å; P303-C551 VanDerWaalsContact CB-SG 3.58Å; Q306-C551 HydrophobicContact CG-CB 4.21Å; Q306-C551 VanDerWaalsContact OE1-CB 3.32Å; Q306-C551 PolarHBondContact OE1-SG 3.07Å; M548-C551 HydrophobicContact CE-CB 4.13Å; M548-C551 WeakPolarHBondContact O-CB 3.44Å; M548-C551 PolarHBondContact O-N 3.13Å; E549-C551 PolarHBondContact O-N 3.05Å
552	K	83.6	Confident	66.7	Low	115 Å²	115	107 Å²	107	50%	0.5	53%	0.534	S	S	.	.	S	Bend	trans	-76.6	129.9	175.5	-64.3	-171.2	-163.8	162	0	109	M548 E549 R554	M548-K552 PolarHBondContact O-N 3.34Å; E549-K552 PolarHBondContact O-N 2.95Å; E549-K552 WeakPolarHBondContact OE1-CE 3.21Å; E549-K552 IonicContact OE1-NZ 3.43Å; E549-K552 PolarHBondContact OE1-NZ 3.49Å; E549-K552 VanDerWaalsContact OE2-CD 3.29Å; E549-K552 WeakPolarHBondContact OE2-CD 3.47Å; E549-K552 WeakPolarHBondContact OE2-CE 3.28Å; E549-K552 IonicContact OE2-NZ 2.71Å; E549-K552 PolarHBondContact OE2-NZ 3.38Å; K552-R554 PolarHBondContact O-N 3.38Å
553	R	61.6	Low	63.9	Low	210 Å²	210	108.6 Å²	108.6	79%	0.792	55%	0.547	S	S	*	.			trans	-55.2	110.7	175.7	-69.8	-172.2	-69.1	-174.8	-0.5	109.7	E257 S555	E257-R553 IonicContact OE1-NH1 2.69Å; R553-S555 VanDerWaalsContact C-N 3.26Å; R553-S555 PolarHBondContact O-N 3.36Å
554	R	48.8	Very low	60.8	Low	228 Å²	228	117.8 Å²	117.8	86%	0.86	58%	0.579	S	S	*	*			trans	-64.3	94.3	158	-73.2	-172.5	178.6	-169.2	0.4	106.8	K552 T556	K552-R554 PolarHBondContact O-N 3.38Å; R554-T556 PolarHBondContact O-N 3.39Å
555	S	31.8	Very low	57.6	Low	96 Å²	96	123.3 Å²	123.3	67%	0.671	62%	0.617	S	S	*	*			trans	-59	110.7	170.6	-175.3	0	0	0	0	107.8	R553 Y557	R553-S555 VanDerWaalsContact C-N 3.26Å; R553-S555 PolarHBondContact O-N 3.36Å; S555-Y557 PolarHBondContact O-N 2.49Å
556	T	39.6	Very low	54.4	Low	136 Å²	136	125.8 Å²	125.8	83%	0.834	64%	0.64	S	S	*	*	S	Bend	trans	-77.6	46.3	176.5	47.7	0	0	0	0	111.2	R554	R554-T556 PolarHBondContact O-N 3.39Å
557	Y	33	Very low	51.4	Low	213 Å²	213	127 Å²	127	84%	0.835	65%	0.651	S	S	*	*			trans	-156.8	70.1	165.9	-104	-70.9	0	0	0	109.9	S555	S555-Y557 PolarHBondContact O-N 2.49Å
558	D	28.4	Very low	48.2	Very low	129 Å²	129	130.2 Å²	130.2	69%	0.69	68%	0.681	S	S	*	*			trans	-137	90.2	138.4	-165.9	-7.9	0	0	0	109.2	S560	D558-S560 PolarHBondContact OD1-N 2.8Å
559	S	35.1	Very low	45	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	72%	0.718	S	S	*	*			trans	-119.9	40.2	174.7	-165.6	0	0	0	0	109.3
560	S	32.9	Very low	42.8	Very low	88 Å²	88	137.5 Å²	137.5	62%	0.615	74%	0.735	S	S	*	*	S	Bend	trans	-151.5	90.9	-176.9	50.5	0	0	0	0	113	D558	D558-S560 PolarHBondContact OD1-N 2.8Å
561	K	38.3	Very low	39.5	Very low	205 Å²	205	141.2 Å²	141.2	89%	0.891	77%	0.766	S	S	*	*			trans	81.8	79.8	168.8	-51.6	175.9	-179	176.9	0	117.1
562	S	28.2	Very low	36.5	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	80%	0.795	S	S	*	*				-132.3	87.2	127.5	-167.1	0	0	0	0	110.3	Y564	S562-Y564 PolarHBondContact O-N 3.18Å
563	L	33.5	Very low	33.9	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	81%	0.811	S	S	*	*			trans	-76.7	104.6	160.1	-75.3	170.5	0	0	0	106.8
564	Y	29.4	Very low	32.3	Very low	224 Å²	224	139.1 Å²	139.1	88%	0.878	82%	0.816	S	S	*	*			trans	179.6	110.7	136	-84.8	-54.1	0	0	0	108.1	S562	S562-Y564 PolarHBondContact O-N 3.18Å
565	S	26.4	Very low	31.4	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	81%	0.812	S	S	*	*			trans	-119.7	117.4	174.9	-175.5	0	0	0	0	108.8
566	T	29.2	Very low	31.4	Very low	136 Å²	136	134.8 Å²	134.8	83%	0.834	82%	0.821	S	S	*	*			trans	-139.5	134.1	173.5	34.9	0	0	0	0	110
567	N	30.2	Very low	30.8	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	82%	0.824	S	S	*	*			trans	-76.7	150.6	-175	-52.9	-63.7	0	0	0	112
568	A	27.6	Very low	30.6	Very low	97 Å²	97	131.7 Å²	131.7	80%	0.802	82%	0.816	S	S	*	*			trans	-151.2	121.1	158.7	0	0	0	0	0	112.1
569	V	28.1	Very low	30.5	Very low	144 Å²	144	132.6 Å²	132.6	87%	0.873	83%	0.827	S	S	*	*			trans	-148.1	157.3	160.2	-117.6	0	0	0	0	106.8
570	P	47	Very low	30.1	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	82%	0.823	S	S	*	*				-121.4	163	-102.8	38.7	-27.3	0	0	0	114.1
571	S	24	Very low	29.8	Very low	130 Å²	130	138 Å²	138	91%	0.909	84%	0.835	S	S	*	*			trans	-154.5	167.7	156.5	-162	0	0	0	0	110.7
572	A	29.3	Very low	29.3	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	83%	0.833	S	S	*	*			trans	-121	149.3	-173.1	0	0	0	0	0	112.2
573	A	28.5	Very low	29.4	Very low	101 Å²	101	132.8 Å²	132.8	84%	0.835	82%	0.824	S	S	*	*			trans	-175	149.1	141.1	0	0	0	0	0	113.1
574	A	28.3	Very low	29.1	Very low	109 Å²	109	133.5 Å²	133.5	90%	0.901	82%	0.824	S	S	*	*			trans	-5.2	145.2	161.7	0	0	0	0	0	122
575	G	29.9	Very low	29.1	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	82%	0.818	S	S	*	*			trans	169.9	86.5	161.9	0	0	0	0	0	114.8
576	N	31.8	Very low	29.3	Very low	158 Å²	158	130.3 Å²	130.3	85%	0.845	81%	0.812	S	S	*	*			trans	-87.6	134.8	169.6	-66.6	-25.9	0	0	0	110.3
577	L	28.4	Very low	29.2	Very low	173 Å²	173	132.4 Å²	132.4	91%	0.906	81%	0.812	S	S	*	*				-173.5	153.1	118.2	-124.4	75.4	0	0	0	115.3
578	T	28	Very low	29.3	Very low	110 Å²	110	133 Å²	133	68%	0.675	81%	0.809	S	S	*	*			trans	-73.8	148.4	172.2	-46.9	0	0	0	0	113.8
579	V	26.7	Very low	29.5	Very low	149 Å²	149	135.1 Å²	135.1	90%	0.903	81%	0.807	S	S	*	*			trans	-145.6	150.8	138.8	-175.2	0	0	0	0	110.1
580	T	27.4	Very low	29.6	Very low	120 Å²	120	137.5 Å²	137.5	74%	0.736	81%	0.809	S	S	*	*			trans	-104.2	163.6	-170.5	-48.8	0	0	0	0	113.7
581	F	25.2	Very low	28.7	Very low	197 Å²	197	138 Å²	138	86%	0.864	81%	0.81	S	S	*	*			trans	-65.6	152.3	171.7	-79.7	-102.9	0	0	0	115.1
582	S	28.6	Very low	29.8	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	80%	0.802	S	S	*	*			trans	147.6	157.4	151.4	-70.3	0	0	0	0	109.4
583	S	29.6	Very low	30.1	Very low	94 Å²	94	138.1 Å²	138.1	66%	0.657	80%	0.802	S	S	*	*			cis	-151.5	162.9	3.7	-164	0	0	0	0	107.4
584	Q	27.1	Very low	30.6	Very low	170 Å²	170	137.9 Å²	137.9	79%	0.794	80%	0.8	S	S	*	*				-174.9	138.5	70.8	-81.6	-168.5	0.4	0	0	109.1
585	L	29.3	Very low	30.7	Very low	145 Å²	145	136.7 Å²	136.7	76%	0.759	80%	0.798	S	S	*	*				56.2	142.9	100.2	-94.9	82.5	0	0	0	116.8
586	N	30.5	Very low	30.6	Very low	127 Å²	127	137 Å²	137	68%	0.679	80%	0.801	S	S	*	*			cis	-171.4	154.5	-9.8	-157.5	-3.7	0	0	0	111
587	Q	28.1	Very low	30.7	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	80%	0.796	S	S	*	*			trans	172	118.4	133.3	-98.9	174.3	86.6	0	0	117.4
588	H	31.6	Very low	30.7	Very low	175 Å²	175	131.8 Å²	131.8	81%	0.81	79%	0.791	S	S	*	*			trans	64.8	150.7	137.9	-91.1	83.5	0	0	0	125.7
589	N	32.5	Very low	31.8	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	78%	0.778	S	S	*	*			trans	-93.6	152.1	-173.3	-69.7	-44.6	0	0	0	114.6
590	Q	29.5	Very low	32.2	Very low	193 Å²	193	126 Å²	126	90%	0.902	75%	0.754	S	S	*	*				-172.8	178.1	116.9	-102.6	164.1	102.7	0	0	114.8
591	V	28.2	Very low	32.4	Very low	133 Å²	133	126 Å²	126	81%	0.806	75%	0.749	S	S	*	*			trans	-156.3	140.6	-153.6	153.3	0	0	0	0	106.9
592	P	46.5	Very low	32.5	Very low	114 Å²	114	121.5 Å²	121.5	74%	0.74	73%	0.734	S	S	*	*				-154.1	159.5	58.2	34.2	-9.7	0	0	0	121.4
593	S	37.6	Very low	32.4	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	73%	0.729	S	S	*	*			trans	65.2	130	130.2	-168.9	0	0	0	0	125.4
594	A	37.7	Very low	32.1	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	74%	0.737	S	S	*	*			trans	54.2	149.4	143.7	0	0	0	0	0	121.1
595	G	31.3	Very low	32.9	Very low	83 Å²	83	126.3 Å²	126.3	86%	0.856	74%	0.735	S	S	*	*			cis	123.1	117.5	6.1	0	0	0	0	0	112.1
596	G	27.3	Very low	32.7	Very low	83 Å²	83	123.3 Å²	123.3	86%	0.856	73%	0.731	S	S	*	*			trans	177.5	161.5	-179.2	0	0	0	0	0	113.2
597	A	34.3	Very low	32.5	Very low	88 Å²	88	124.8 Å²	124.8	73%	0.727	74%	0.739	S	S	*	*			trans	-156.9	177.5	-174.5	0	0	0	0	0	113.1
598	V	26.9	Very low	32.4	Very low	133 Å²	133	126 Å²	126	81%	0.806	74%	0.737	S	S	*	*			trans	63.2	165.7	167.2	-67.3	0	0	0	0	117.9
599	P	51.4	Low	32.1	Very low	63 Å²	63	125.4 Å²	125.4	41%	0.409	74%	0.735	S	S	.	*			cis	-138.1	144	-40.7	33.9	-16	0	0	0	116.9	A1042	P599-A1042 HydrophobicContact CB-CB 4.14Å; P599-A1042 WeakPolarHBondContact CB-O 3.34Å; P599-A1042 HydrophobicContact CG-CB 4.18Å
600	L	36.6	Very low	31.8	Very low	74 Å²	74	127.2 Å²	127.2	39%	0.387	74%	0.739	S	S	.	*			trans	50.8	139.5	137.6	-84.9	94.2	0	0	0	127.1	A1042 S1043 L1044	L600-A1042 HydrophobicContact CB-CB 4.38Å; L600-S1043 WeakPolarHBondContact CD1-O 3.33Å; L600-S1043 WeakPolarHBondContact CD2-O 3.44Å; L600-L1044 HydrophobicContact CD2-CB 3.64Å; L600-L1044 HydrophobicContact CD2-CG 4.48Å; L600-L1044 WeakPolarHBondContact CD2-O 3.43Å
601	L	30.6	Very low	31.6	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	73%	0.734	S	S	*	*				-173.8	157.9	101	-113.4	172.8	0	0	0	115.1	L1044	L601-L1044 HydrophobicContact CD2-CD1 4.18Å
602	N	28.2	Very low	31.5	Very low	101 Å²	101	121.6 Å²	121.6	54%	0.54	73%	0.728	S	S	.	*			trans	65.1	144.9	148.6	-110.9	9.8	0	0	0	126.4	Y1045	N602-Y1045 PolarHBondContact O-OH 3.37Å; N602-Y1045 VanDerWaalsContact O-OH 3.09Å
603	Y	24.8	Very low	30.6	Very low	196 Å²	196	124 Å²	124	77%	0.769	73%	0.733	S	S	*	*			trans	68	152.2	150	-96.4	-115.9	0	0	0	126.2	Y1045	Y603-Y1045 PolarHBondContact N-OH 2.94Å
604	Q	25.2	Very low	30	Very low	175 Å²	175	125 Å²	125	82%	0.818	73%	0.729	S	S	*	*			trans	-79.1	173.7	174.1	-83	178.1	-60.5	0	0	112.6
605	P	42	Very low	29.6	Very low	118 Å²	118	127.8 Å²	127.8	77%	0.766	73%	0.729	S	S	*	*			cis	-153.2	-173.8	32	45.7	-23.8	0	0	0	120.4
606	A	27.1	Very low	29.8	Very low	82 Å²	82	129.4 Å²	129.4	68%	0.678	73%	0.725	S	S	*	*			trans	77.2	119.8	140.4	0	0	0	0	0	125.4
607	L	24.9	Very low	29.8	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	72%	0.718	S	S	*	*			trans	73.3	161.3	130.4	-65.6	174.9	0	0	0	124.1
608	Y	26.7	Very low	29.6	Very low	203 Å²	203	133.3 Å²	133.3	80%	0.796	73%	0.729	S	S	*	*			trans	81.5	151.4	178.5	-79.1	-107.4	0	0	0	118.2
609	Q	25.1	Very low	29.6	Very low	164 Å²	164	131 Å²	131	77%	0.766	72%	0.724	S	S	*	*			cis	-169.9	164.5	-35.6	-173.1	165	66.3	0	0	107.6
610	Q	25.8	Very low	28.4	Very low	180 Å²	180	135.7 Å²	135.7	84%	0.841	74%	0.741	S	S	*	*			trans	-91.7	153.1	-179.7	-62.8	169.2	-75.8	0	0	114.3
611	A	26.6	Very low	27.9	Very low	98 Å²	98	139.4 Å²	139.4	81%	0.81	76%	0.756	S	S	*	*			trans	-140.5	128.8	144	0	0	0	0	0	107.4
612	T	25.6	Very low	27.5	Very low	109 Å²	109	138 Å²	138	67%	0.669	76%	0.756	S	S	*	*			cis	94.2	102.7	29.8	-58.6	0	0	0	0	113.5
613	I	26.2	Very low	27.7	Very low	166 Å²	166	139.8 Å²	139.8	85%	0.851	77%	0.771	S	S	*	*			trans	-136.8	132.4	146.3	-70	-170.6	0	0	0	107.6
614	N	25.9	Very low	28.2	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	77%	0.771	S	S	*	*			trans	-87.6	-172.5	177.8	-94	-34.8	0	0	0	110.2
615	I	30.1	Very low	28.5	Very low	155 Å²	155	135.4 Å²	135.4	80%	0.795	77%	0.772	S	S	*	*			cis	-161.3	-179.6	43.1	-10.4	177	0	0	0	110
616	P	34.2	Very low	28	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	78%	0.775	S	S	*	*				-134.5	-178.5	-108.4	45.7	-28.3	0	0	0	117.4
617	G	27.7	Very low	27.9	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	78%	0.781	S	S	*	*			trans	102.8	137.7	157.2	0	0	0	0	0	115.4
618	L	29.3	Very low	27.9	Very low	182 Å²	182	140.2 Å²	140.2	95%	0.953	78%	0.784	S	S	*	*			cis	-139.9	179.4	1.9	-138.4	78.4	0	0	0	111.3
619	A	27.4	Very low	28.2	Very low	85 Å²	85	136.7 Å²	136.7	70%	0.702	79%	0.785	S	S	*	*			trans	-62.9	157.6	-175.6	0	0	0	0	0	114.4
620	Q	26	Very low	28.1	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	78%	0.784	S	S	*	*				61.1	143.2	50.3	-80	-164.1	6.9	0	0	113.3
621	Q	25.8	Very low	28.2	Very low	151 Å²	151	128 Å²	128	71%	0.706	78%	0.78	S	S	*	*			cis	-164.9	164.5	14.1	-140.3	174.1	11.5	0	0	113.8
622	S	23.7	Very low	28.2	Very low	92 Å²	92	131.2 Å²	131.2	64%	0.643	78%	0.782	S	S	*	*			trans	51.3	130.2	147.3	49.4	0	0	0	0	123
623	V	31.4	Very low	28	Very low	139 Å²	139	131 Å²	131	84%	0.842	78%	0.784	S	S	*	*				73.6	141.1	67.7	162.1	0	0	0	0	112.5
624	P	35.2	Very low	27.9	Very low	121 Å²	121	129 Å²	129	79%	0.786	78%	0.78	S	S	*	*			cis	-141.9	-164	32.4	39.2	-15.4	0	0	0	119.1
625	L	31.9	Very low	27.8	Very low	158 Å²	158	130.3 Å²	130.3	83%	0.827	78%	0.782	S	S	*	*			trans	-67.1	170	175.3	-58.4	162.6	0	0	0	115.3
626	P	31	Very low	27.5	Very low	129 Å²	129	128.1 Å²	128.1	84%	0.838	78%	0.776	S	S	*	*				-140.5	-176.3	101.5	40.6	-28.7	0	0	0	115
627	A	25.4	Very low	27.1	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	78%	0.777	S	S	*	*			trans	-153	173.5	-175.4	0	0	0	0	0	114.9
628	R	24.7	Very low	27.3	Very low	236 Å²	236	131.8 Å²	131.8	89%	0.891	77%	0.772	S	S	*	*			trans	71	166.2	-179.7	-92.5	-177.7	171.7	171.2	-1.8	115.5
629	P	32.3	Very low	27.1	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	77%	0.771	S	S	*	*			cis	-101.1	-165.1	7.9	41	-35.3	0	0	0	114.3
630	A	24.3	Very low	27	Very low	89 Å²	89	136.1 Å²	136.1	74%	0.736	77%	0.77	S	S	*	*			cis	-169.5	170.7	-49.8	0	0	0	0	0	110.9
631	G	27.6	Very low	27.3	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	78%	0.777	S	S	*	*			trans	86.9	168.2	179.4	0	0	0	0	0	114.8
632	L	25.9	Very low	27.3	Very low	164 Å²	164	136.1 Å²	136.1	86%	0.859	78%	0.778	S	S	*	*			cis	-164.2	132.5	-17.5	-135.2	166.2	0	0	0	109.8
633	C	21.7	Very low	27.7	Very low	104 Å²	104	139.2 Å²	139.2	70%	0.703	79%	0.787	S	S	*	*			trans	62.2	144.7	162.5	-103.5	0	0	0	0	123.2
634	T	24.2	Very low	27.5	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	79%	0.787	S	S	*	*			trans	71.5	131.4	143	44.7	0	0	0	0	124.6
635	Q	23	Very low	27	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	79%	0.786	S	S	*	*			trans	86	121.1	136.4	-70.9	-76.8	70.6	0	0	122.7
636	T	24.2	Very low	27	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	78%	0.783	S	S	*	*			trans	63.1	132.2	140.3	48.9	0	0	0	0	124.6
637	E	26	Very low	27.4	Very low	169 Å²	169	138 Å²	138	79%	0.79	78%	0.78	S	S	*	*			trans	82.1	147.1	139	-74.8	-78.1	90.1	0	0	120.8
638	P	31.5	Very low	27.9	Very low	95 Å²	95	138.4 Å²	138.4	62%	0.617	77%	0.774	S	S	*	*			trans	-96.9	167.1	-173.7	39.7	-36.2	0	0	0	113.6	Q640	P638-Q640 PolarHBondContact O-N 3.49Å
639	F	25.8	Very low	28	Very low	213 Å²	213	133.2 Å²	133.2	93%	0.934	77%	0.774	S	S	*	*			trans	-69.4	113.7	169.5	-86.1	-100.9	0	0	0	111.7
640	Q	25.8	Very low	27.9	Very low	144 Å²	144	132.8 Å²	132.8	67%	0.673	77%	0.769	S	S	*	*			trans	-84.4	152.4	153.3	-75.2	-158.8	-2	0	0	111.2	P638	P638-Q640 PolarHBondContact O-N 3.49Å
641	Q	31.2	Very low	28.5	Very low	194 Å²	194	136.6 Å²	136.6	91%	0.907	78%	0.775	S	S	*	*			trans	-98.4	130.1	166.8	-62.6	170.5	-93.2	0	0	108.8
642	T	27.1	Very low	28.7	Very low	119 Å²	119	142.4 Å²	142.4	73%	0.73	78%	0.782	S	S	*	*			trans	-137.5	142.5	169.5	-52.3	0	0	0	0	110.2
643	L	30.8	Very low	28.8	Very low	157 Å²	157	138 Å²	138	82%	0.822	78%	0.777	S	S	*	*			trans	-84.7	151	-179.2	-58.8	83.3	0	0	0	111.5
644	I	27.7	Very low	29.2	Very low	166 Å²	166	140.5 Å²	140.5	85%	0.851	78%	0.782	S	S	*	*			trans	-165.1	147.2	153.2	-103.1	148.8	0	0	0	107.5
645	V	25.1	Very low	29.4	Very low	126 Å²	126	142.4 Å²	142.4	76%	0.764	78%	0.783	S	S	*	*			cis	-169.8	150.1	-35.7	117.1	0	0	0	0	106.1
646	C	31.8	Very low	30.1	Very low	112 Å²	112	139.7 Å²	139.7	76%	0.757	78%	0.779	S	S	*	*			trans	-80.3	-168.1	174.7	-52.1	0	0	0	0	110.1
647	P	38.5	Very low	30.2	Very low	119 Å²	119	140 Å²	140	77%	0.773	79%	0.785	S	S	*	*			cis	-129.4	-112.2	-3.1	23.4	4.4	0	0	0	115.1
648	P	36.3	Very low	30.2	Very low	104 Å²	104	136.5 Å²	136.5	68%	0.675	78%	0.78	S	S	*	*				-119.1	167.8	-109.9	38.6	-24	0	0	0	115.5
649	S	26.8	Very low	30	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	79%	0.791	S	S	*	*			trans	-106.4	87	171	59.2	0	0	0	0	112.1
650	T	31.3	Very low	30.1	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-101.2	132	168.5	-43.8	0	0	0	0	109.4
651	I	36.8	Very low	30.2	Very low	169 Å²	169	134.7 Å²	134.7	87%	0.867	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.1	177.4	-67.7	175.5	0	0	0	110.3
652	Q	32	Very low	30	Very low	195 Å²	195	130.6 Å²	130.6	91%	0.911	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.7	156.3	-168.8	-64	169.5	-60.6	0	0	114
653	G	27.7	Very low	30	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	79%	0.788	S	S	*	*			trans	-169.6	61.8	177.3	0	0	0	0	0	115
654	L	29	Very low	31.2	Very low	156 Å²	156	132.4 Å²	132.4	82%	0.817	78%	0.783	S	S	*	*			trans	-151.5	151.5	171.7	-63.5	175.9	0	0	0	107.8
655	Q	29.7	Very low	31.2	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	78%	0.779	S	S	*	*			cis	-157.3	-172.6	-17	-99.4	-60.3	26.5	0	0	106.1
656	P	37.3	Very low	31.5	Very low	104 Å²	104	133.5 Å²	133.5	68%	0.675	78%	0.777	S	S	*	*			trans	-109.3	160.2	-157.1	39.9	-29	0	0	0	116.4
657	S	26.3	Very low	31.6	Very low	114 Å²	114	133 Å²	133	80%	0.797	77%	0.77	S	S	*	*			trans	65.1	122.8	155.3	-154.3	0	0	0	0	117.7
658	S	26.5	Very low	31.1	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	76%	0.76	S	S	*	*				-179.9	154.2	68.1	45.4	0	0	0	0	115.2
659	K	26.8	Very low	30.8	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	77%	0.765	S	S	*	*			trans	63.6	101.3	148.8	-71.9	178.3	178.7	-177.9	0	122.6
660	S	28.5	Very low	30.9	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	76%	0.758	S	S	*	*				58.2	124.5	124.2	63.4	0	0	0	0	123.1
661	S	27.2	Very low	31	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	76%	0.76	S	S	*	*				177.7	149.2	101.2	-172.9	0	0	0	0	114.9
662	S	25.9	Very low	31.2	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	75%	0.754	S	S	*	*			trans	61.2	119	150.7	43.1	0	0	0	0	123.7
663	F	28.6	Very low	31	Very low	202 Å²	202	129 Å²	129	89%	0.886	74%	0.744	S	S	*	*			trans	-64.1	-178.4	157.8	-83.3	-77.8	0	0	0	113.6
664	P	55.5	Low	31.1	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	75%	0.745	S	S	*	*			cis	-150.8	-168.2	30.1	37.1	-10.8	0	0	0	120.2
665	V	26.9	Very low	31.9	Very low	128 Å²	128	129 Å²	129	78%	0.776	74%	0.737	S	S	*	*			trans	83.9	100	166.9	-166.3	0	0	0	0	115
666	R	33.3	Very low	31.9	Very low	188 Å²	188	128.9 Å²	128.9	71%	0.709	74%	0.736	S	S	*	*				80.4	124.8	55.8	-161.1	-148.7	163.1	-148	-13.1	110.9	E668	R666-E668 IonicContact CZ-OE1 3.97Å; R666-E668 IonicContact CZ-OE2 3.61Å; R666-E668 IonicContact NE-OE2 3.61Å; R666-E668 IonicContact NH2-OE1 2.78Å; R666-E668 PolarHBondContact NH2-OE1 2.62Å; R666-E668 IonicContact NH2-OE2 3.47Å; R666-E668 PolarHBondContact NH2-OE2 3.34Å
667	V	32.3	Very low	31.4	Very low	102 Å²	102	130.1 Å²	130.1	62%	0.618	74%	0.738	S	S	*	*			cis	-170.5	-160.6	7.7	-99.5	0	0	0	0	109.1
668	E	28.7	Very low	31.6	Very low	121 Å²	121	132.4 Å²	132.4	57%	0.565	74%	0.736	S	S	*	*			cis	-159.9	170.8	6.3	-142.4	123.4	63.6	0	0	112.2	R666	R666-E668 IonicContact CZ-OE1 3.97Å; R666-E668 IonicContact CZ-OE2 3.61Å; R666-E668 IonicContact NE-OE2 3.61Å; R666-E668 IonicContact NH2-OE1 2.78Å; R666-E668 PolarHBondContact NH2-OE1 2.62Å; R666-E668 IonicContact NH2-OE2 3.47Å; R666-E668 PolarHBondContact NH2-OE2 3.34Å
669	N	29.4	Very low	31.8	Very low	145 Å²	145	132.6 Å²	132.6	78%	0.775	74%	0.737	S	S	*	*			trans	66	147.4	161.5	-64.9	-24.8	0	0	0	119.5
670	S	29.9	Very low	31.9	Very low	106 Å²	106	127.3 Å²	127.3	74%	0.741	73%	0.73	S	S	*	*			cis	-166.4	161.5	-14.2	47.2	0	0	0	0	110.4
671	V	32.9	Very low	31.7	Very low	126 Å²	126	130.9 Å²	130.9	76%	0.764	73%	0.734	S	S	*	*			trans	-128	147.1	-174.3	176.5	0	0	0	0	112.2
672	P	40.9	Very low	31.5	Very low	115 Å²	115	130 Å²	130	75%	0.747	73%	0.728	S	S	*	*			trans	-124.2	126.9	140.3	31.8	-19.5	0	0	0	111.5
673	I	28.5	Very low	31.4	Very low	136 Å²	136	132 Å²	132	70%	0.697	73%	0.729	S	S	*	*				80.8	104	63.9	-70.8	169.5	0	0	0	110.4
674	V	29.4	Very low	31.1	Very low	127 Å²	127	130.2 Å²	130.2	77%	0.77	72%	0.723	S	S	*	*				79.4	145.2	74.3	156.9	0	0	0	0	111.1
675	P	46	Very low	29.7	Very low	101 Å²	101	132 Å²	132	66%	0.656	73%	0.725	S	S	*	*			cis	-117.4	-173.6	19.1	23.3	1.7	0	0	0	113.9
676	Q	28.5	Very low	29.9	Very low	161 Å²	161	134 Å²	134	75%	0.752	73%	0.726	S	S	*	*			cis	-148.6	-177	20.2	-145.5	117.4	-1.9	0	0	108.6
677	N	26.8	Very low	30.4	Very low	131 Å²	131	129.8 Å²	129.8	70%	0.701	72%	0.723	S	S	*	*			cis	-152.5	-172.4	10.4	-159	15.4	0	0	0	113.7
678	Q	32	Very low	30.1	Very low	162 Å²	162	129.8 Å²	129.8	76%	0.757	73%	0.728	S	S	*	*			trans	-89.9	170.8	-177.6	-77.8	171.4	23.7	0	0	114.4
679	S	29.4	Very low	30.1	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	74%	0.737	S	S	*	*			cis	-169.4	168.1	-4.5	39.7	0	0	0	0	113.1
680	A	28.3	Very low	30.1	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	74%	0.736	S	S	*	*			trans	62.2	126.9	150.2	0	0	0	0	0	119.2
681	Q	24.9	Very low	30.1	Very low	186 Å²	186	131.5 Å²	131.5	87%	0.869	73%	0.733	S	S	*	*				64.6	145.1	64.6	-69.7	-168.3	4.4	0	0	115.2
682	S	23.7	Very low	29.8	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	74%	0.739	S	S	*	*			cis	-172.1	157.3	-25.7	55.6	0	0	0	0	110.2
683	L	23.6	Very low	29.1	Very low	152 Å²	152	132.3 Å²	132.3	80%	0.796	74%	0.736	S	S	*	*			trans	69.8	145.8	160.7	-69.9	163.4	0	0	0	121.9
684	Q	23.1	Very low	29.1	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	74%	0.743	S	S	*	*			trans	85.7	141.2	139.6	-94.9	-177.7	-37.4	0	0	124.7
685	I	25.1	Very low	28.9	Very low	148 Å²	148	131 Å²	131	76%	0.759	74%	0.744	S	S	*	*			trans	85.8	108.2	144.9	-69.4	162.7	0	0	0	120.6
686	Q	30.9	Very low	28.2	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	75%	0.751	S	S	*	*			trans	-84.9	165.1	144.5	-83.9	-115.4	19.4	0	0	109.2
687	P	43.7	Very low	28.9	Very low	99 Å²	99	130 Å²	130	64%	0.643	75%	0.748	S	S	*	*			cis	-148.6	-153.9	25.8	38.5	-14	0	0	0	116
688	S	26.4	Very low	28.8	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	75%	0.752	S	S	*	*			trans	82	152.2	153.5	17.8	0	0	0	0	120
689	M	29	Very low	28.5	Very low	155 Å²	155	131 Å²	131	76%	0.764	76%	0.755	S	S	*	*			cis	-158.8	179.7	4.6	-123.5	-113.6	-73.1	0	0	114.4
690	L	29.6	Very low	28.3	Very low	142 Å²	142	132.4 Å²	132.4	74%	0.743	76%	0.759	S	S	*	*			trans	81.1	134.6	-177.9	-53.3	173.8	0	0	0	114.9
691	T	28.7	Very low	28.1	Very low	111 Å²	111	132 Å²	132	68%	0.681	76%	0.756	S	S	*	*			cis	76.9	144.4	0.8	91.9	0	0	0	0	117.7
692	Q	28	Very low	28.1	Very low	192 Å²	192	129 Å²	129	90%	0.897	75%	0.751	S	S	*	*			cis	-139.1	-174.2	9	-43.7	179.3	29	0	0	110.1
693	G	26.3	Very low	28.1	Very low	67 Å²	67	133 Å²	133	69%	0.691	76%	0.764	S	S	*	*			cis	168.3	175.3	-5.4	0	0	0	0	0	115.3
694	S	28.8	Very low	28.2	Very low	120 Å²	120	134 Å²	134	84%	0.839	76%	0.764	S	S	*	*			trans	69.2	152.3	166.6	-125.7	0	0	0	0	119.6
695	C	24.3	Very low	29.3	Very low	115 Å²	115	130.7 Å²	130.7	78%	0.777	76%	0.757	S	S	*	*			cis	-135	166	7.6	-62.2	0	0	0	0	113.2
696	T	31.5	Very low	29.6	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	76%	0.76	S	S	*	*			trans	-112.4	168.8	159.8	59.3	0	0	0	0	110.3
697	P	42.9	Very low	30.1	Very low	107 Å²	107	126.7 Å²	126.7	70%	0.695	76%	0.755	S	S	*	*				-159	169.4	94.1	42.1	-22.8	0	0	0	118.5
698	L	25.4	Very low	30.1	Very low	147 Å²	147	128 Å²	128	77%	0.77	76%	0.764	S	S	*	*			trans	63.6	126.5	153.3	-66.9	161	0	0	0	119.3
699	M	25.7	Very low	30.2	Very low	169 Å²	169	126.4 Å²	126.4	83%	0.833	76%	0.764	S	S	*	*				71.3	144	74.8	-79.8	-170.5	154.8	0	0	114.9
700	V	25.3	Very low	30.2	Very low	128 Å²	128	127.3 Å²	127.3	78%	0.776	77%	0.77	S	S	*	*			cis	-147.7	-169.6	13.3	92.9	0	0	0	0	112.8
701	A	24.4	Very low	30.2	Very low	77 Å²	77	124.4 Å²	124.4	64%	0.636	77%	0.766	S	S	*	*			trans	-64	-177.1	-178.2	0	0	0	0	0	115.2
702	T	24.3	Very low	30.9	Very low	123 Å²	123	125.4 Å²	125.4	76%	0.755	78%	0.775	S	S	*	*			cis	-174.9	172	44.6	-22.8	0	0	0	0	113.9
703	L	24.2	Very low	30.9	Very low	172 Å²	172	123.1 Å²	123.1	90%	0.901	76%	0.764	S	S	*	*			trans	86.4	161.8	150.1	-77.8	164.3	0	0	0	121.9
704	H	25.4	Very low	31	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.796	77%	0.769	S	S	*	*			trans	-127.1	-157.2	-165.2	-154.4	-47.1	0	0	0	110.1
705	P	46.2	Very low	30.9	Very low	94 Å²	94	129.2 Å²	129.2	61%	0.61	77%	0.767	S	S	*	*			trans	-83.1	178.2	-133.4	42.9	-29.3	0	0	0	115.9
706	P	29.8	Very low	31.1	Very low	126 Å²	126	130.8 Å²	130.8	82%	0.818	77%	0.767	S	S	*	*				-142.4	156.8	102.6	39.4	-27.9	0	0	0	116.6
707	P	41.8	Very low	31.2	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	76%	0.763	S	S	*	*			trans	-107.7	-156.2	163.7	43.5	-33.9	0	0	0	110.5
708	P	45	Very low	30.5	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	77%	0.768	S	S	*	*			cis	-129.9	-174	-39.3	27.1	-5.2	0	0	0	113.7
709	G	26.6	Very low	30.6	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	76%	0.76	S	S	*	*			trans	117.9	162	151.3	0	0	0	0	0	117
710	I	29.2	Very low	30.7	Very low	174 Å²	174	128.3 Å²	128.3	89%	0.892	77%	0.765	S	S	*	*			cis	-155.7	160.8	-7.2	-101	158.3	0	0	0	108.1
711	A	30.6	Very low	30.7	Very low	81 Å²	81	125.6 Å²	125.6	67%	0.669	76%	0.763	S	S	*	*			trans	-84.7	173.1	-179.5	0	0	0	0	0	114.8
712	P	42.6	Very low	31.4	Very low	133 Å²	133	128.7 Å²	128.7	86%	0.864	78%	0.777	S	S	*	*				-146.2	-159.3	104.5	39.7	-22.5	0	0	0	115.4
713	Q	28.2	Very low	31.6	Very low	144 Å²	144	126.6 Å²	126.6	67%	0.673	78%	0.779	S	S	*	*			trans	-126.7	172.9	-159.3	-56.8	172.6	-76.6	0	0	115.9
714	Y	29.2	Very low	31.7	Very low	200 Å²	200	126 Å²	126	78%	0.784	78%	0.782	S	S	*	*			trans	71.6	161	164.5	-50.3	-69.1	0	0	0	116.6
715	S	25.9	Very low	31.8	Very low	115 Å²	115	121.2 Å²	121.2	80%	0.804	78%	0.779	S	S	*	*			cis	-148.5	169.9	17.7	-58.9	0	0	0	0	114.2
716	L	28.2	Very low	31	Very low	147 Å²	147	128.3 Å²	128.3	77%	0.77	79%	0.794	S	S	*	*			trans	-79.9	161.3	163.2	-82	163.7	0	0	0	112.2
717	P	35.1	Very low	31.4	Very low	115 Å²	115	128 Å²	128	75%	0.747	79%	0.792	S	S	*	*				-137.9	156	92.4	41.4	-29.3	0	0	0	112.7
718	L	27.3	Very low	30.7	Very low	153 Å²	153	127.1 Å²	127.1	80%	0.801	79%	0.794	S	S	*	*			cis	67.4	127.5	45.4	-78.4	161	0	0	0	114.5
719	G	26.8	Very low	29.8	Very low	58 Å²	58	128.9 Å²	128.9	60%	0.598	80%	0.795	S	S	*	*			cis	170.7	-167.3	-4.6	0	0	0	0	0	112.6
720	L	28.4	Very low	29.8	Very low	179 Å²	179	133 Å²	133	94%	0.937	80%	0.8	S	S	*	*			trans	68.7	137.3	170.4	-45.6	170.9	0	0	0	115
721	G	26.1	Very low	29.7	Very low	70 Å²	70	132.5 Å²	132.5	72%	0.722	79%	0.794	S	S	*	*			cis	97.9	149.4	10.3	0	0	0	0	0	112.4
722	P	39.3	Very low	29.5	Very low	143 Å²	143	136.9 Å²	136.9	93%	0.929	80%	0.801	S	S	*	*			cis	-122.7	-158.1	-8.7	42.5	-26.3	0	0	0	111.7
723	G	27.1	Very low	28.8	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	80%	0.798	S	S	*	*			trans	162.1	104.5	161.6	0	0	0	0	0	118.5
724	V	27.5	Very low	28.7	Very low	159 Å²	159	134.7 Å²	134.7	96%	0.964	81%	0.805	S	S	*	*			trans	-80.5	145.8	172.8	172.5	0	0	0	0	111.8
725	G	26.6	Very low	28.7	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	81%	0.806	S	S	*	*			trans	167.3	119.4	157.9	0	0	0	0	0	119.4
726	R	30.7	Very low	28.7	Very low	244 Å²	244	132.5 Å²	132.5	92%	0.921	81%	0.807	S	S	*	*			trans	-115.9	136.5	144.4	-88.5	-173.1	169.6	-157	-2.3	106.7
727	P	36.5	Very low	28.7	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	81%	0.809	S	S	*	*				-124.7	158.3	96.6	4.2	18	0	0	0	110.8
728	A	27.6	Very low	28.2	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	82%	0.817	S	S	*	*			cis	87.5	115.9	37.4	0	0	0	0	0	115
729	L	26.4	Very low	28.1	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	81%	0.813	S	S	*	*			trans	64.7	108.1	152.4	-156	84.4	0	0	0	120.2
730	L	25.9	Very low	28.1	Very low	155 Å²	155	142.3 Å²	142.3	81%	0.812	83%	0.828	S	S	*	*				-159.3	157.1	116.8	-143.7	75.1	0	0	0	112
731	E	28.3	Very low	28.3	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	82%	0.819	S	S	*	*			trans	-80.2	152.4	165.6	-56.3	163.8	112	0	0	110.6
732	H	26	Very low	28.3	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.806	82%	0.824	S	S	*	*				-166.5	143.8	119.5	-109.9	66.4	0	0	0	113.4
733	T	27.9	Very low	27.6	Very low	132 Å²	132	139 Å²	139	81%	0.81	82%	0.816	S	S	*	*			trans	-82.6	137.5	170.1	4.6	0	0	0	0	110.8
734	A	25.7	Very low	27.5	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	82%	0.815	S	S	*	*			trans	-150.6	115.6	163.9	0	0	0	0	0	110.9
735	T	29.7	Very low	27.6	Very low	131 Å²	131	143.1 Å²	143.1	80%	0.804	81%	0.812	S	S	*	*			trans	-98.2	127.9	174.3	-50.8	0	0	0	0	109.2
736	V	26.1	Very low	27.6	Very low	138 Å²	138	148.6 Å²	148.6	84%	0.836	82%	0.819	S	S	*	*			trans	-133.1	133.7	168.1	-179.7	0	0	0	0	109.9
737	L	27	Very low	27.5	Very low	155 Å²	155	144.9 Å²	144.9	81%	0.812	82%	0.815	S	S	*	*			trans	-96.2	146.9	176.5	-75.6	157	0	0	0	110.8
738	Q	25.7	Very low	26.8	Very low	194 Å²	194	146.4 Å²	146.4	91%	0.907	82%	0.816	S	S	*	*			trans	143	153.3	154.1	-83.8	172.3	17.3	0	0	109.3
739	A	25	Very low	26.9	Very low	86 Å²	86	148.7 Å²	148.7	71%	0.711	81%	0.814	S	S	*	*			cis	-167.7	150.9	-28.2	0	0	0	0	0	106.1
740	W	25.6	Very low	26.9	Very low	244 Å²	244	146.5 Å²	146.5	92%	0.924	81%	0.81	S	S	*	*			trans	-77	154	177.5	-71.5	90.9	0	0	0	112.1
741	P	33.8	Very low	26.8	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	81%	0.806	S	S	*	*				-129.9	132.3	116.5	5.9	15.5	0	0	0	115
742	T	25.6	Very low	26.7	Very low	136 Å²	136	141.5 Å²	141.5	83%	0.834	81%	0.806	S	S	*	*			trans	9.7	130.4	143.1	54.3	0	0	0	0	120.4
743	G	25.4	Very low	26.6	Very low	73 Å²	73	144.1 Å²	144.1	75%	0.753	81%	0.809	S	S	*	*			trans	-163.7	29.8	177.2	0	0	0	0	0	119.4
744	T	25.4	Very low	26.5	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	81%	0.808	S	S	*	*			trans	49.8	110.8	156.8	-43.6	0	0	0	0	120.4
745	Q	28.6	Very low	26.6	Very low	193 Å²	193	149.3 Å²	149.3	90%	0.902	81%	0.807	S	S	*	*				-166.7	162.8	112.2	-103.2	-178.2	35	0	0	111.8
746	Q	26.5	Very low	26.4	Very low	188 Å²	188	149.9 Å²	149.9	88%	0.879	81%	0.81	S	S	*	*			trans	-106.6	154	-162.3	-66.7	166.7	-54.3	0	0	113.4
747	I	28.1	Very low	26.6	Very low	165 Å²	165	148.7 Å²	148.7	85%	0.846	81%	0.805	S	S	*	*			trans	-96.4	123.2	158.4	-63.5	169.4	0	0	0	107.4
748	L	22.8	Very low	26.6	Very low	153 Å²	153	144.7 Å²	144.7	80%	0.801	80%	0.801	S	S	*	*			trans	-157.4	155.5	138.2	-136.7	74.4	0	0	0	113.7
749	I	28.8	Very low	26.7	Very low	137 Å²	137	142.6 Å²	142.6	70%	0.703	80%	0.802	S	S	*	*			trans	-51.3	152.6	175.8	-58.5	146.7	0	0	0	112.4
750	P	26.3	Very low	26.7	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	80%	0.802	S	S	*	*				-128.9	141.3	126.9	38.3	-32.8	0	0	0	114.1
751	S	24.2	Very low	26.7	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	79%	0.791	S	S	*	*			trans	-64.2	-179.5	152.8	-48.3	0	0	0	0	109.2
752	S	25.9	Very low	26.4	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	80%	0.795	S	S	*	*			cis	-163.5	-167.5	23.4	53.1	0	0	0	0	111.2
753	W	25.1	Very low	26.4	Very low	229 Å²	229	137.7 Å²	137.7	87%	0.867	79%	0.793	S	S	*	*			trans	-55.7	172.8	165.2	-66.9	35.6	0	0	0	111.3
754	Q	25.7	Very low	26.4	Very low	168 Å²	168	139.6 Å²	139.6	79%	0.785	80%	0.795	S	S	*	*				-176.5	176.8	50.2	-155.2	172.3	54.2	0	0	113.4
755	Q	26.9	Very low	26.4	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	79%	0.79	S	S	*	*			trans	118.2	113.4	154.4	-65	-171.6	3.7	0	0	117.5
756	V	25.1	Very low	26.3	Very low	142 Å²	142	137 Å²	137	86%	0.861	79%	0.788	S	S	*	*				-145	134.1	127	-168	0	0	0	0	107.2
757	P	31.2	Very low	26.3	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	79%	0.787	S	S	*	*			trans	-72.2	167	172.3	-15.1	30.6	0	0	0	112.7
758	G	25.9	Very low	26.1	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	79%	0.786	S	S	*	*			cis	119.2	86.1	-0.5	0	0	0	0	0	113.5
759	V	27.9	Very low	26.2	Very low	151 Å²	151	133.1 Å²	133.1	92%	0.915	78%	0.784	S	S	*	*			trans	-146	145.5	167.6	-171.7	0	0	0	0	108.5
760	A	26	Very low	26	Very low	88 Å²	88	132.3 Å²	132.3	73%	0.727	79%	0.785	S	S	*	*			trans	-92.5	-154.4	177.7	0	0	0	0	0	111.2
761	I	26.3	Very low	25.8	Very low	134 Å²	134	132.8 Å²	132.8	69%	0.687	79%	0.786	S	S	*	*			cis	-152.7	166.9	29.8	-39.8	169.8	0	0	0	109.6
762	H	26.5	Very low	25.9	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.815	79%	0.79	S	S	*	*			trans	86.7	124.2	163.8	-58.9	-72.8	0	0	0	118.8
763	G	25.5	Very low	25.8	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	79%	0.786	S	S	*	*			trans	-133.1	-178.3	151.4	0	0	0	0	0	108.8
764	S	25.7	Very low	27.2	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	78%	0.778	S	S	*	*			trans	-148.4	145.8	165.6	-170.2	0	0	0	0	109.5
765	A	26.1	Very low	27.2	Very low	82 Å²	82	129.4 Å²	129.4	68%	0.678	78%	0.78	S	S	*	*			trans	-79.7	168.7	160.8	0	0	0	0	0	110.2
766	H	26.1	Very low	27.1	Very low	186 Å²	186	128.8 Å²	128.8	86%	0.861	78%	0.777	S	S	*	*				-164.6	150.1	121.6	-97.5	-65	0	0	0	110.7
767	Q	25.5	Very low	27.2	Very low	186 Å²	186	127 Å²	127	87%	0.869	78%	0.777	S	S	*	*			trans	-96.2	152.7	175.9	-59.1	163.4	-64.5	0	0	110.6
768	A	24.6	Very low	26.9	Very low	100 Å²	100	127.8 Å²	127.8	83%	0.826	77%	0.774	S	S	*	*			trans	-178.8	152.9	139.5	0	0	0	0	0	111.5
769	N	24.1	Very low	26.9	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	78%	0.778	S	S	*	*			cis	-170.4	144.2	-39.3	-145.7	16.5	0	0	0	108.8
770	V	24.6	Very low	26.9	Very low	120 Å²	120	131.5 Å²	131.5	73%	0.727	78%	0.776	S	S	*	*			trans	63.2	146.3	149.9	164.1	0	0	0	0	116.8
771	T	22.7	Very low	26.8	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	78%	0.781	S	S	*	*			cis	-131.7	141.8	27	10.7	0	0	0	0	114.5
772	E	25.9	Very low	26.8	Very low	175 Å²	175	130 Å²	130	82%	0.818	79%	0.791	S	S	*	*			trans	-88.8	-174.9	136.3	-60.6	-169.3	145.4	0	0	108
773	S	25.3	Very low	26.7	Very low	97 Å²	97	126.3 Å²	126.3	68%	0.678	79%	0.791	S	S	*	*			cis	-158.6	-141.3	22.5	-163.1	0	0	0	0	110.9
774	P	52.8	Low	26.8	Very low	107 Å²	107	129 Å²	129	70%	0.695	79%	0.792	S	S	*	*				-121.2	-169.4	-118.3	42.6	-25.1	0	0	0	114.3
775	L	25.6	Very low	26.8	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	79%	0.792	S	S	*	*			trans	-170.8	173	132.5	-104.6	162.9	0	0	0	113.7
776	E	25.1	Very low	26.8	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.752	80%	0.799	S	S	*	*			trans	-101.4	164.6	-163.1	-53.7	160.8	102.3	0	0	114.8
777	A	27.1	Very low	26.7	Very low	104 Å²	104	129.1 Å²	129.1	86%	0.86	80%	0.797	S	S	*	*			trans	-157.8	63.2	161.3	0	0	0	0	0	114.9
778	I	26	Very low	26.8	Very low	129 Å²	129	129.5 Å²	129.5	66%	0.662	80%	0.799	S	S	*	*			trans	11.4	132.7	137.9	-96.1	168.8	0	0	0	121.6
779	H	26.2	Very low	26.8	Very low	176 Å²	176	129.4 Å²	129.4	82%	0.815	79%	0.792	S	S	*	*			trans	93.5	143.3	142.4	-79.5	-169.8	0	0	0	125.8
780	S	26.6	Very low	26.7	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	80%	0.799	S	S	*	*			trans	-117.1	160.3	163.4	-56.3	0	0	0	0	109.9
781	G	24.2	Very low	26.7	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	80%	0.801	S	S	*	*			trans	-136.6	153.5	167.3	0	0	0	0	0	110.8
782	A	25.9	Very low	26.8	Very low	107 Å²	107	139 Å²	139	88%	0.884	80%	0.803	S	S	*	*			trans	-129.5	149	-163	0	0	0	0	0	115.1
783	A	25.2	Very low	26.7	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	80%	0.796	S	S	*	*			trans	-152.8	104.3	165.4	0	0	0	0	0	113.7
784	V	27.1	Very low	26.6	Very low	135 Å²	135	134.2 Å²	134.2	82%	0.818	80%	0.799	S	S	*	*			trans	-12.4	133.1	157	-142.1	0	0	0	0	119.2
785	Q	26.5	Very low	25.2	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	81%	0.808	S	S	*	*				176.5	134	103.6	-90.9	-166.7	21.1	0	0	117.4
786	T	25.4	Very low	25.1	Very low	134 Å²	134	134.8 Å²	134.8	82%	0.822	80%	0.802	S	S	*	*			trans	53.2	133.9	148.4	59.7	0	0	0	0	123.3
787	G	24.6	Very low	25.1	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	81%	0.808	S	S	*	*			trans	163	120.7	157.7	0	0	0	0	0	114.9
788	Q	26.9	Very low	25.1	Very low	195 Å²	195	138.2 Å²	138.2	91%	0.911	80%	0.798	S	S	*	*			trans	-103.9	130.2	-175	-67.9	175.4	-14.3	0	0	114.4
789	S	24.7	Very low	25.1	Very low	97 Å²	97	140 Å²	140	68%	0.678	80%	0.804	S	S	*	*				54.2	159.8	127	-143.1	0	0	0	0	125.2
790	W	23.1	Very low	25.1	Very low	232 Å²	232	138.4 Å²	138.4	88%	0.879	80%	0.797	S	S	*	*			trans	74.7	174.4	162.3	-70.5	108.7	0	0	0	121
791	R	24.6	Very low	25.2	Very low	203 Å²	203	138 Å²	138	77%	0.766	78%	0.781	S	S	*	*			trans	-111.1	158.1	-152.8	-66	177.7	175.5	-121.6	7.6	114.7
792	N	24.5	Very low	25.5	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	78%	0.776	S	S	*	*			trans	47.1	128.8	146.1	-71.2	11.9	0	0	0	120.9
793	G	22.6	Very low	25.8	Very low	65 Å²	65	146.1 Å²	146.1	67%	0.67	77%	0.768	S	S	*	*			trans	151	98.6	137.8	0	0	0	0	0	118.7
794	S	23.7	Very low	26	Very low	106 Å²	106	151.4 Å²	151.4	74%	0.741	77%	0.772	S	S	*	*			trans	43.1	154.8	131.6	64.3	0	0	0	0	123.9
795	Q	24.2	Very low	26.1	Very low	191 Å²	191	148 Å²	148	89%	0.893	76%	0.764	S	S	*	*			trans	69.1	154.6	171	-54.2	-170.4	10.3	0	0	113.3
796	A	23.6	Very low	26.3	Very low	86 Å²	86	150.4 Å²	150.4	71%	0.711	77%	0.772	S	S	*	*			cis	-174.4	-174.1	-13.9	0	0	0	0	0	104.1
797	R	25.2	Very low	26.6	Very low	231 Å²	231	148.5 Å²	148.5	87%	0.872	77%	0.77	S	S	*	*			cis	-156	178.1	4.2	-145.9	176.6	179.8	166.8	-1.5	109
798	T	25.7	Very low	26.7	Very low	106 Å²	106	156.2 Å²	156.2	65%	0.65	77%	0.774	S	S	*	*			trans	-28.8	155.4	161.7	48.8	0	0	0	0	116.6
799	Q	27	Very low	26.7	Very low	168 Å²	168	153.1 Å²	153.1	79%	0.785	77%	0.772	S	S	*	*			cis	-163.5	174.3	40.3	-137.5	155.2	-21.3	0	0	109
800	Q	26.1	Very low	26.7	Very low	142 Å²	142	152 Å²	152	66%	0.664	78%	0.776	S	S	*	*			cis	-159.1	145.5	19.9	-172.5	166	-19.2	0	0	113.6
801	E	29.4	Very low	26.8	Very low	115 Å²	115	148.8 Å²	148.8	54%	0.537	77%	0.771	S	S	.	*			trans	51.8	123.6	154.8	-73.4	-174.2	82.2	0	0	127.5
802	R	29.3	Very low	26.8	Very low	196 Å²	196	145 Å²	145	74%	0.74	77%	0.766	S	S	*	*				71.1	147.1	128.8	-69.6	-174.9	174.2	152.9	-7.4	120.2
803	K	32.6	Very low	26.9	Very low	165 Å²	165	147.6 Å²	147.6	72%	0.717	76%	0.764	S	S	*	*			cis	-160.4	140.3	-1.2	-134.7	175.6	-177.7	174.8	0	112.1
804	K	30.2	Very low	27.2	Very low	210 Å²	210	151 Å²	151	91%	0.913	77%	0.767	S	S	*	*			trans	53.1	148.9	162.5	-75	-173.2	171.2	-172.8	0	118.4
805	G	28.5	Very low	27.3	Very low	64 Å²	64	157 Å²	157	66%	0.66	77%	0.773	S	S	*	*			cis	-172.5	133.3	-9.6	0	0	0	0	0	107.9
806	K	30.5	Very low	27.3	Very low	217 Å²	217	153.6 Å²	153.6	94%	0.943	77%	0.765	S	S	*	*				61.8	134.3	77.4	-101.4	-171.3	176	-176.2	0	114.3
807	A	31.3	Very low	27.4	Very low	95 Å²	95	155.5 Å²	155.5	79%	0.785	77%	0.768	S	S	*	*			cis	-142.4	171.4	9.2	0	0	0	0	0	113.6
808	R	27.7	Very low	27.5	Very low	243 Å²	243	149.1 Å²	149.1	92%	0.917	76%	0.758	S	S	*	*			trans	-155	144.8	-169.5	-165	-166.9	-165.1	-169.8	7.2	111.1
809	C	25.6	Very low	27.6	Very low	129 Å²	129	150 Å²	150	87%	0.872	76%	0.763	S	S	*	*			trans	65.7	159.3	161.2	-141.8	0	0	0	0	119.2
810	G	25.1	Very low	27.6	Very low	73 Å²	73	148 Å²	148	75%	0.753	76%	0.763	S	S	*	*			trans	155.3	118.5	171.6	0	0	0	0	0	112.9
811	E	25.3	Very low	27.7	Very low	166 Å²	166	145.9 Å²	145.9	78%	0.776	76%	0.764	S	S	*	*			trans	-105.8	163.9	179.8	-66.6	175	55.3	0	0	113.7
812	N	25.6	Very low	27.6	Very low	123 Å²	123	147.3 Å²	147.3	66%	0.658	77%	0.774	S	S	*	*			trans	83.1	133.1	137.4	-99.5	-55.3	0	0	0	122.5
813	R	26.9	Very low	27.6	Very low	208 Å²	208	145.6 Å²	145.6	79%	0.785	78%	0.778	S	S	*	*			trans	76.9	110.9	146.1	-75.9	178.2	170.3	-177.5	-3.7	123.3
814	N	26.9	Very low	27.4	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	78%	0.775	S	S	*	*				93.3	126	120.7	-67.9	-6.2	0	0	0	123.2
815	R	26.8	Very low	27.4	Very low	234 Å²	234	137.7 Å²	137.7	88%	0.883	77%	0.771	S	S	*	*			trans	86	132.3	135.7	-91.7	-167.7	165.7	-171.2	-4.5	122.8
816	V	24.6	Very low	27.2	Very low	118 Å²	118	138.1 Å²	138.1	72%	0.715	78%	0.775	S	S	*	*			trans	87	91	137.1	173.8	0	0	0	0	120.5
817	V	25.1	Very low	26.9	Very low	127 Å²	127	134.8 Å²	134.8	77%	0.77	77%	0.772	S	S	*	*				62.4	121.1	107.6	173.3	0	0	0	0	122
818	S	27.3	Very low	26.6	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	77%	0.771	S	S	*	*			trans	97.4	120.8	139.3	-80.7	0	0	0	0	125.9
819	T	28	Very low	27.7	Very low	123 Å²	123	130.1 Å²	130.1	76%	0.755	76%	0.763	S	S	*	*				58.4	127.5	129.6	63.4	0	0	0	0	124.8
820	T	26.1	Very low	28.8	Very low	128 Å²	128	129.5 Å²	129.5	79%	0.785	76%	0.758	S	S	*	*				-173	123.9	114.3	30.5	0	0	0	0	108.7
821	S	28.8	Very low	29	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	76%	0.762	S	S	*	*				57.2	133.7	86.4	65.1	0	0	0	0	115.7
822	I	28.5	Very low	29.2	Very low	145 Å²	145	130.2 Å²	130.2	74%	0.744	76%	0.764	S	S	*	*				-174.6	137	87.3	-93.4	168.8	0	0	0	112.4
823	L	28.7	Very low	29.3	Very low	159 Å²	159	129.9 Å²	129.9	83%	0.832	77%	0.771	S	S	*	*			trans	45.4	157.6	144.2	-60.5	-178.6	0	0	0	122.9
824	S	28.4	Very low	29.3	Very low	92 Å²	92	126.4 Å²	126.4	64%	0.643	77%	0.773	S	S	*	*			cis	-167.6	133.5	-6.9	43	0	0	0	0	110.8
825	S	29.3	Very low	29.3	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	78%	0.777	S	S	*	*				100.4	135.2	97.3	65.2	0	0	0	0	117.7
826	G	25.3	Very low	29.2	Very low	73 Å²	73	121.5 Å²	121.5	75%	0.753	78%	0.777	S	S	*	*			trans	164.5	95.9	160.5	0	0	0	0	0	121.1
827	V	24.3	Very low	29.4	Very low	146 Å²	146	121.6 Å²	121.6	89%	0.885	78%	0.783	S	S	*	*			trans	75	161.4	146.4	-167.6	0	0	0	0	120.2
828	T	24.7	Very low	29.4	Very low	125 Å²	125	123.7 Å²	123.7	77%	0.767	79%	0.785	S	S	*	*			trans	-135.3	-171.6	-161.4	54.2	0	0	0	0	112
829	P	50.1	Low	30	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	79%	0.787	S	S	*	*			cis	-116.3	-121.3	-5.5	41.8	-21.8	0	0	0	112
830	P	49.9	Very low	29.8	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	79%	0.793	S	S	*	*			cis	-121.2	-157.7	-0.4	44.9	-28.3	0	0	0	115.1
831	T	28.8	Very low	30	Very low	135 Å²	135	126.9 Å²	126.9	83%	0.828	79%	0.793	S	S	*	*			trans	-153.2	177.5	-167.3	56.3	0	0	0	0	118.7
832	S	30.1	Very low	29.8	Very low	119 Å²	119	128.9 Å²	128.9	83%	0.832	80%	0.795	S	S	*	*			trans	93.4	155.3	166.5	83	0	0	0	0	118.2
833	S	27	Very low	29.7	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	79%	0.79	S	S	*	*			cis	-146.4	-166.5	12	65.6	0	0	0	0	114.2
834	V	26.9	Very low	29.7	Very low	136 Å²	136	126.1 Å²	126.1	82%	0.824	79%	0.79	S	S	*	*			trans	-135.7	151.4	-165.9	172.7	0	0	0	0	113.1
835	A	26.3	Very low	29.8	Very low	99 Å²	99	128.2 Å²	128.2	82%	0.818	80%	0.799	S	S	*	*			trans	-148.8	165.7	166.9	0	0	0	0	0	113.8
836	L	25.8	Very low	30.1	Very low	168 Å²	168	128.3 Å²	128.3	88%	0.88	80%	0.796	S	S	*	*			trans	-145.3	152.3	-170.5	-81.8	162.3	0	0	0	112.3
837	S	27.6	Very low	30.4	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	80%	0.799	S	S	*	*			trans	163.9	178.9	137	63.1	0	0	0	0	113.6
838	Q	25.3	Very low	30.7	Very low	171 Å²	171	129.1 Å²	129.1	80%	0.799	79%	0.794	S	S	*	*			trans	-138.5	-163.6	-177.2	-40.6	179.4	-60.5	0	0	108.9
839	P	40.2	Very low	30.8	Very low	112 Å²	112	127.8 Å²	127.8	73%	0.727	80%	0.796	S	S	*	*			cis	-125.3	-177.3	-43.5	31.3	-13.1	0	0	0	111.9
840	I	24.2	Very low	29.7	Very low	173 Å²	173	128.5 Å²	128.5	89%	0.887	80%	0.798	S	S	*	*			trans	-163.6	164.2	151.8	-106.9	153.2	0	0	0	110.9
841	V	28.9	Very low	28.6	Very low	129 Å²	129	128.1 Å²	128.1	78%	0.782	80%	0.798	S	S	*	*			trans	-117.7	153.8	-170.7	172.8	0	0	0	0	111
842	I	25.4	Very low	28.6	Very low	139 Å²	139	128.2 Å²	128.2	71%	0.713	79%	0.792	S	S	*	*			trans	-166.8	140.9	145.9	-103.1	151.7	0	0	0	113.7
843	S	26.2	Very low	28.3	Very low	92 Å²	92	128.9 Å²	128.9	64%	0.643	79%	0.785	S	S	*	*			trans	-0.2	144.9	173.2	64.1	0	0	0	0	125.3
844	D	29.6	Very low	28.5	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	78%	0.776	S	S	*	*			trans	-69.5	163	161.2	-54.5	-88.5	0	0	0	115.7
845	T	29.8	Very low	28.4	Very low	136 Å²	136	128 Å²	128	83%	0.834	77%	0.769	S	S	*	*			trans	-156.5	156.2	150.2	8.3	0	0	0	0	109.9
846	P	34.9	Very low	28.4	Very low	120 Å²	120	130.1 Å²	130.1	78%	0.779	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-93.2	154.4	-147.4	34.7	-38.2	0	0	0	117.3
847	S	32.9	Very low	28.4	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67	140.8	168.4	-55.7	0	0	0	0	112.9
848	P	30.8	Very low	28.6	Very low	122 Å²	122	129.2 Å²	129.2	79%	0.792	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-73.1	146.7	171.7	30.8	-34.4	0	0	0	112.1
849	A	27.1	Very low	28.8	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-71.4	145.8	-174.7	0	0	0	0	0	113.9
850	V	26.8	Very low	28.4	Very low	130 Å²	130	130 Å²	130	79%	0.788	77%	0.766	S	S	*	*			trans	-96	103.3	175.5	-179.1	0	0	0	0	110	I852	V850-I852 HydrophobicContact CG1-CG1 4.07Å; V850-I852 PolarHBondContact O-N 3.5Å; V850-I852 VanDerWaalsContact O-N 3.09Å
851	S	25.5	Very low	28.7	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	76%	0.764	S	S	*	*			trans	-76.8	91.2	173.8	-57.9	0	0	0	0	111.3	I853	S851-I853 PolarHBondContact O-N 3.47Å
852	I	29.1	Very low	28.9	Very low	138 Å²	138	131.6 Å²	131.6	71%	0.708	77%	0.771	S	S	*	*			trans	-74.7	116.9	168.8	-56.7	179	0	0	0	108.4	V850	V850-I852 HydrophobicContact CG1-CG1 4.07Å; V850-I852 PolarHBondContact O-N 3.5Å; V850-I852 VanDerWaalsContact O-N 3.09Å
853	I	24.9	Very low	29.2	Very low	132 Å²	132	132.2 Å²	132.2	68%	0.677	78%	0.775	S	S	*	*			trans	-114.8	92.2	168.5	-63.4	179.1	0	0	0	107.6	S851 I855	S851-I853 PolarHBondContact O-N 3.47Å; I853-I855 HydrophobicContact CG2-CD1 3.87Å; I853-I855 HydrophobicContact CG2-CG1 3.83Å
854	T	30	Very low	29.3	Very low	101 Å²	101	135 Å²	135	62%	0.62	78%	0.779	S	S	*	*			trans	-80.8	122.3	163.7	-53.4	0	0	0	0	107.5
855	I	24.9	Very low	29.3	Very low	131 Å²	131	138.8 Å²	138.8	67%	0.672	78%	0.781	S	S	*	*			trans	-122.5	132.1	165.3	-63.8	175.5	0	0	0	107	I853	I853-I855 HydrophobicContact CG2-CD1 3.87Å; I853-I855 HydrophobicContact CG2-CG1 3.83Å
856	H	27	Very low	29.2	Very low	145 Å²	145	138.7 Å²	138.7	67%	0.671	77%	0.769	S	S	*	*			trans	-82.1	174.9	-174.6	-69	-117.6	0	0	0	110.9
857	S	26.6	Very low	28.7	Very low	119 Å²	119	143 Å²	143	83%	0.832	78%	0.776	S	S	*	*			trans	-139.8	53.8	169.2	-60.9	0	0	0	0	110.4
858	D	30.1	Very low	28.4	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	77%	0.774	S	S	*	*			trans	-124	107	155.2	-72.8	-49.9	0	0	0	106.2
859	T	31.2	Very low	29	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	77%	0.774	S	S	*	*			trans	-148.4	102.7	167.8	48.1	0	0	0	0	107.4
860	D	29.9	Very low	28.9	Very low	166 Å²	166	144.5 Å²	144.5	89%	0.888	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.4	150.3	165.5	-70.1	-63.8	0	0	0	110.3
861	T	31.7	Very low	28.9	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-85.9	120.7	173.6	51.1	0	0	0	0	110.3
862	E	32.8	Very low	29	Very low	199 Å²	199	146.7 Å²	146.7	93%	0.93	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68	144.2	166.7	-66	-153.5	121.9	0	0	111.4
863	D	31.1	Very low	28.8	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	77%	0.77	S	S	*	*			trans	-111.4	99.8	-172.7	-160.9	-0.9	0	0	0	110.4	R865	D863-R865 PolarHBondContact O-N 3.38Å
864	E	28.8	Very low	29	Very low	152 Å²	152	144.9 Å²	144.9	71%	0.71	78%	0.78	S	S	*	*			trans	-83.1	108.3	-179.1	-117.7	-113.6	130.4	0	0	111.2	K866	E864-K866 WeakPolarHBondContact OE2-CE 3.38Å
865	R	29.4	Very low	28.9	Very low	232 Å²	232	145.3 Å²	145.3	88%	0.875	79%	0.787	S	S	*	*			trans	-131.3	110.6	157.1	-70.9	-161.5	-171.9	-162.6	5.9	112.8	D863	D863-R865 PolarHBondContact O-N 3.38Å
866	K	28.2	Very low	29.1	Very low	135 Å²	135	150 Å²	150	59%	0.587	80%	0.796	S	S	*	*			trans	-64.5	145.3	179.7	-62.9	168.9	-178.7	171.8	0	113.4	E864	E864-K866 WeakPolarHBondContact OE2-CE 3.38Å
867	F	24.3	Very low	29.1	Very low	211 Å²	211	147.4 Å²	147.4	93%	0.925	79%	0.791	S	S	*	*			trans	-136.8	137.7	134.8	-90.1	-81.8	0	0	0	110.1
868	H	26.7	Very low	29.2	Very low	160 Å²	160	149.7 Å²	149.7	74%	0.741	79%	0.788	S	S	*	*			trans	-99.5	170.9	168	-70.9	-58.8	0	0	0	108.6
869	P	42.2	Very low	29.1	Very low	124 Å²	124	153.3 Å²	153.3	81%	0.805	79%	0.791	S	S	*	*			cis	-129.8	-162.2	15.5	40.5	-18.6	0	0	0	112.3
870	A	25.5	Very low	29	Very low	79 Å²	79	153.5 Å²	153.5	65%	0.653	79%	0.792	S	S	*	*			cis	-157.5	144.9	13.6	0	0	0	0	0	115.5
871	S	26.4	Very low	28.9	Very low	109 Å²	109	152.9 Å²	152.9	76%	0.762	79%	0.789	S	S	*	*			trans	60.1	153.1	133.4	-58.7	0	0	0	0	124.3
872	I	27.4	Very low	28.5	Very low	177 Å²	177	153.2 Å²	153.2	91%	0.908	79%	0.79	S	S	*	*			trans	76.4	125	172.3	-45	170.6	0	0	0	114.4
873	G	26.1	Very low	28.2	Very low	63 Å²	63	151.4 Å²	151.4	65%	0.649	79%	0.785	S	S	*	*			cis	165.5	159	-10.2	0	0	0	0	0	114.4
874	L	29.3	Very low	27.9	Very low	169 Å²	169	149.1 Å²	149.1	89%	0.885	78%	0.781	S	S	*	*			trans	75.9	136.2	163.2	-60.5	167.8	0	0	0	121.6
875	S	26.9	Very low	27.8	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	78%	0.78	S	S	*	*			trans	63	139.3	155.8	35.6	0	0	0	0	119.8
876	R	28.6	Very low	27.6	Very low	229 Å²	229	141.9 Å²	141.9	86%	0.864	78%	0.776	S	S	*	*				64.6	132.8	58.6	-122.8	-168.8	-174.3	173.3	0.5	110.8
877	T	28.5	Very low	27.5	Very low	91 Å²	91	141.4 Å²	141.4	56%	0.558	78%	0.784	S	S	*	*			cis	-160.4	161.7	29.3	-37.4	0	0	0	0	111.8
878	E	28.2	Very low	27.7	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	77%	0.773	S	S	*	*			trans	53.7	119.4	145.8	-89.4	142.5	-141.1	0	0	125.4
879	R	28.2	Very low	27.7	Very low	226 Å²	226	138 Å²	138	85%	0.853	78%	0.779	S	S	*	*			trans	-4.2	145.8	131.3	-59	170.1	172.7	142.9	-4.7	118.3
880	T	28.3	Very low	26.9	Very low	138 Å²	138	138.9 Å²	138.9	85%	0.847	78%	0.777	S	S	*	*				-169.9	168	99.3	19.8	0	0	0	0	113
881	N	27.7	Very low	27	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	78%	0.782	S	S	*	*			trans	-96	170.4	-178.6	-37.4	-74	0	0	0	111.5
882	V	25	Very low	27.1	Very low	145 Å²	145	142.1 Å²	142.1	88%	0.879	78%	0.783	S	S	*	*				-175.6	162	116.3	145.4	0	0	0	0	111.5
883	I	25.5	Very low	27.1	Very low	161 Å²	161	138.6 Å²	138.6	83%	0.826	77%	0.774	S	S	*	*			trans	-101.6	149.5	-170.7	-63.6	149.9	0	0	0	110.7
884	S	24	Very low	27.2	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	78%	0.784	S	S	*	*				174.2	161.9	127.6	-155.9	0	0	0	0	115.4
885	C	26.6	Very low	27.1	Very low	102 Å²	102	139.4 Å²	139.4	69%	0.689	78%	0.779	S	S	*	*			trans	10.5	135.7	161.1	59.1	0	0	0	0	121.2
886	V	26	Very low	27.1	Very low	131 Å²	131	140.8 Å²	140.8	79%	0.794	78%	0.783	S	S	*	*			cis	74.4	100.5	39.8	-176.4	0	0	0	0	115.3
887	T	26.4	Very low	27	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	78%	0.778	S	S	*	*				-169.4	126.6	126.5	30.1	0	0	0	0	107.5
888	V	27.4	Very low	27.9	Very low	113 Å²	113	136.1 Å²	136.1	69%	0.685	79%	0.787	S	S	*	*				52.3	127.9	87	-168.8	0	0	0	0	113.8
889	H	27.2	Very low	27.9	Very low	187 Å²	187	136 Å²	136	87%	0.866	79%	0.79	S	S	*	*			trans	-143.6	114.9	167.7	-121.9	-68.6	0	0	0	109.9
890	D	26.2	Very low	28.2	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	78%	0.783	S	S	*	*			trans	-91.8	165	166.9	-73	-61.3	0	0	0	110.8
891	S	28.1	Very low	29.3	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	78%	0.779	S	S	*	*			trans	-96.8	136.5	169.8	-59.5	0	0	0	0	110.3
892	D	26.8	Very low	29.4	Very low	145 Å²	145	129 Å²	129	78%	0.775	78%	0.775	S	S	*	*				-178.8	142.2	95.5	-115.2	-45.1	0	0	0	116.2
893	S	28.3	Very low	30.7	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	77%	0.766	S	S	*	*			trans	37.3	115.1	140.9	-61.4	0	0	0	0	123.2
894	S	27.6	Very low	31.2	Very low	124 Å²	124	130.2 Å²	130.2	87%	0.867	77%	0.767	S	S	*	*				-174	-178.6	126.5	42.6	0	0	0	0	112.2
895	T	28.1	Very low	31.7	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	77%	0.766	S	S	*	*			trans	-133.1	170.4	-147.8	52.2	0	0	0	0	117
896	T	26.4	Very low	32	Very low	138 Å²	138	131.5 Å²	131.5	85%	0.847	77%	0.766	S	S	*	*			trans	95.1	149.1	162.2	71.1	0	0	0	0	119.8
897	S	26.8	Very low	32.2	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	77%	0.767	S	S	*	*			trans	-111.9	178.4	-174.2	-42.8	0	0	0	0	110.8
898	P	47.9	Very low	32.3	Very low	113 Å²	113	131 Å²	131	73%	0.734	77%	0.767	S	S	*	*				-161.2	166.2	90.2	41.4	-21.2	0	0	0	120.4
899	L	27.3	Very low	32.3	Very low	163 Å²	163	130.5 Å²	130.5	85%	0.853	78%	0.775	S	S	*	*			trans	84.1	170.1	142.2	-80.5	163.2	0	0	0	123.6
900	T	35.4	Very low	32.2	Very low	115 Å²	115	125 Å²	125	71%	0.706	77%	0.768	S	S	*	*			trans	-152.8	172.1	-144.5	-24.9	0	0	0	0	111.4
901	P	49.9	Very low	33.4	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	77%	0.772	S	S	*	*				-158.2	150.9	93.3	39.6	-19.5	0	0	0	119.8
902	L	30.9	Very low	33.4	Very low	140 Å²	140	126.8 Å²	126.8	73%	0.733	78%	0.775	S	S	*	*			trans	27.3	168	137	-93.7	76.9	0	0	0	124.1
903	P	52.4	Low	33.5	Very low	106 Å²	106	125 Å²	125	69%	0.688	77%	0.774	S	S	*	*			cis	-136.8	153.5	15	39.4	-20.3	0	0	0	120.2
904	R	36	Very low	33.5	Very low	225 Å²	225	124.5 Å²	124.5	85%	0.849	77%	0.771	S	S	*	*			trans	44.7	135	139.9	-64.2	176.1	176.9	157.4	-0.1	120.7
905	S	33.8	Very low	33.6	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	77%	0.771	S	S	*	*			cis	-172	-150.9	-3.3	42.9	0	0	0	0	108.2
906	L	32.4	Very low	33.6	Very low	130 Å²	130	131.9 Å²	131.9	68%	0.681	77%	0.773	S	S	*	*			cis	-169.3	141	8.2	-139.6	172.8	0	0	0	109.2
907	N	30.3	Very low	34.6	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	76%	0.761	S	S	*	*			trans	61.3	159.3	170.7	-69.4	-10.9	0	0	0	117.8
908	A	28.6	Very low	34.7	Very low	93 Å²	93	133.5 Å²	133.5	77%	0.769	76%	0.764	S	S	*	*			cis	-177.2	159.7	-20.8	0	0	0	0	0	107.4
909	A	28.3	Very low	33.9	Very low	102 Å²	102	132.7 Å²	132.7	84%	0.843	76%	0.761	S	S	*	*			cis	-163.6	-168.4	-15.7	0	0	0	0	0	109.2
910	G	25.7	Very low	34.2	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	76%	0.761	S	S	*	*			trans	-85.4	-155.7	171.5	0	0	0	0	0	114.1
911	P	50.1	Low	33.9	Very low	129 Å²	129	131 Å²	131	84%	0.838	76%	0.759	S	S	*	*			cis	-145	-163.7	21.2	44.5	-23.8	0	0	0	116.7
912	L	28.8	Very low	32.9	Very low	162 Å²	162	132 Å²	132	85%	0.848	76%	0.762	S	S	*	*			trans	-74.4	161.7	166	-62.7	65.6	0	0	0	112.1
913	S	28.7	Very low	32.6	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	77%	0.767	S	S	*	*				-170.9	145.2	129.3	-159.8	0	0	0	0	117.6
914	S	28.4	Very low	31.4	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	77%	0.767	S	S	*	*			trans	40	111.4	142.7	63.3	0	0	0	0	125.2
915	R	29.5	Very low	31.9	Very low	230 Å²	230	125.7 Å²	125.7	87%	0.868	76%	0.763	S	S	*	*				38.3	125	110.7	-68.7	-179.1	169	-174.1	-2.7	122.1
916	Q	27.7	Very low	31.7	Very low	175 Å²	175	126.1 Å²	126.1	82%	0.818	77%	0.766	S	S	*	*			trans	68.5	170.2	131.2	-76.4	-153.8	6.6	0	0	120.3
917	P	47.4	Very low	31.5	Very low	91 Å²	91	125.3 Å²	125.3	59%	0.591	77%	0.767	S	S	*	*			cis	-141.5	-179.7	-39.6	39.2	-22.5	0	0	0	115.8
918	K	29.8	Very low	31.5	Very low	190 Å²	190	127.3 Å²	127.3	83%	0.826	77%	0.768	S	S	*	*			trans	70.2	119.3	145.2	-83.5	172.8	-178.4	-179.8	0	122.2
919	S	30.7	Very low	31.5	Very low	96 Å²	96	127.4 Å²	127.4	67%	0.671	76%	0.763	S	S	*	*				91.8	130	120.2	-66.8	0	0	0	0	123.7
920	L	32.6	Very low	31.4	Very low	163 Å²	163	130.9 Å²	130.9	85%	0.853	76%	0.762	S	S	*	*			trans	77.8	116.3	132.6	-75.6	168.2	0	0	0	122.6
921	A	30.1	Very low	31.4	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	76%	0.763	S	S	*	*				110.2	110.5	112	0	0	0	0	0	121.9
922	V	28.4	Very low	30.4	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	76%	0.757	S	S	*	*				55.2	127.8	127.5	-164.8	0	0	0	0	120.8
923	V	25	Very low	30.4	Very low	136 Å²	136	132.5 Å²	132.5	82%	0.824	76%	0.755	S	S	*	*				166.8	143.9	123.9	158.5	0	0	0	0	109.7
924	A	27.4	Very low	30.3	Very low	84 Å²	84	138.6 Å²	138.6	69%	0.694	76%	0.761	S	S	*	*			trans	-121	170.6	173.4	0	0	0	0	0	110.4
925	P	45.7	Very low	30.2	Very low	118 Å²	118	138.6 Å²	138.6	77%	0.766	77%	0.767	S	S	*	*				-161.4	147.4	100.8	38.4	-18.1	0	0	0	119.8
926	S	29.7	Very low	30.1	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	77%	0.767	S	S	*	*			trans	58.6	171.5	134.3	-139.6	0	0	0	0	120.7
927	V	29.3	Very low	30.3	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.685	76%	0.764	S	S	*	*			cis	-154.9	147.4	10.5	-149.1	0	0	0	0	112.3
928	K	29.7	Very low	29.5	Very low	194 Å²	194	129.2 Å²	129.2	84%	0.843	77%	0.77	S	S	*	*			trans	56	166	148.4	-83.5	173.4	-176.3	-178.8	0	121.3
929	S	28.7	Very low	29.5	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	77%	0.773	S	S	*	*			cis	-170.7	143.8	-17	49.3	0	0	0	0	115.6
930	Q	26.4	Very low	29.3	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.813	78%	0.78	S	S	*	*			trans	54.8	144.9	139.8	-84.3	-178.6	-37.5	0	0	127.8
931	T	25.6	Very low	29.1	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	78%	0.775	S	S	*	*			trans	88.7	121	137.5	41	0	0	0	0	127.4
932	S	28.9	Very low	29	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	77%	0.773	S	S	*	*			trans	62.2	125.4	134.3	-81	0	0	0	0	128.3
933	E	28	Very low	29	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	76%	0.761	S	S	*	*				33.2	129.4	129.1	-55.2	-177	112.7	0	0	124.7
934	R	27.4	Very low	29.1	Very low	234 Å²	234	130.8 Å²	130.8	88%	0.883	76%	0.763	S	S	*	*				173.5	136.3	108.8	-96.6	179.2	172.8	-178.4	-3.3	111.8
935	A	26.9	Very low	29.2	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	76%	0.76	S	S	*	*				65.8	152	96.9	0	0	0	0	0	115.3
936	A	26.7	Very low	28.3	Very low	104 Å²	104	130 Å²	130	86%	0.86	76%	0.759	S	S	*	*			cis	-145.7	-161.4	7.3	0	0	0	0	0	111.3
937	A	31.1	Very low	28.1	Very low	92 Å²	92	134.6 Å²	134.6	76%	0.76	76%	0.761	S	S	*	*			trans	-137.4	171.7	-172.1	0	0	0	0	0	115
938	S	32.3	Very low	27.9	Very low	104 Å²	104	137 Å²	137	73%	0.727	77%	0.767	S	S	*	*			trans	113.2	148	146.6	79.4	0	0	0	0	121.2
939	H	29.8	Very low	27.7	Very low	193 Å²	193	136 Å²	136	89%	0.894	76%	0.763	S	S	*	*			trans	75.5	122.5	158.9	-67.8	-63.8	0	0	0	123.8
940	G	26.3	Very low	28.1	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	77%	0.767	S	S	*	*			trans	-173.8	138.1	161.7	0	0	0	0	0	109.1
941	R	27.4	Very low	28	Very low	197 Å²	197	137.6 Å²	137.6	74%	0.743	77%	0.767	S	S	*	*			trans	-159.9	172.3	-166.9	-159.2	-152.5	140	-169.1	-7.6	111.9	E943	R941-E943 WeakPolarHBondContact CG-OE1 3.37Å; R941-E943 IonicContact CZ-OE1 3.18Å; R941-E943 IonicContact CZ-OE2 3.91Å; R941-E943 IonicContact NE-OE1 3.87Å; R941-E943 PolarHBondContact NE-OE1 3.4Å; R941-E943 IonicContact NE-OE2 2.73Å; R941-E943 IonicContact NH2-OE1 2.72Å; R941-E943 PolarHBondContact NH2-OE1 3.26Å; R941-E943 IonicContact NH2-OE2 2.85Å; R941-E943 PolarHBondContact NH2-OE2 3.43Å
942	V	28.5	Very low	28.1	Very low	105 Å²	105	141.9 Å²	141.9	64%	0.636	77%	0.769	S	S	*	*			trans	85.3	121.5	165.4	-178.5	0	0	0	0	115
943	E	28.2	Very low	27.9	Very low	122 Å²	122	141.2 Å²	141.2	57%	0.57	77%	0.765	S	S	*	*			cis	96.2	140.9	25.4	-61.1	148.5	-117.4	0	0	114	R941	R941-E943 WeakPolarHBondContact CG-OE1 3.37Å; R941-E943 IonicContact CZ-OE1 3.18Å; R941-E943 IonicContact CZ-OE2 3.91Å; R941-E943 IonicContact NE-OE1 3.87Å; R941-E943 PolarHBondContact NE-OE1 3.4Å; R941-E943 IonicContact NE-OE2 2.73Å; R941-E943 IonicContact NH2-OE1 2.72Å; R941-E943 PolarHBondContact NH2-OE1 3.26Å; R941-E943 IonicContact NH2-OE2 2.85Å; R941-E943 PolarHBondContact NH2-OE2 3.43Å
944	T	27.9	Very low	27.8	Very low	139 Å²	139	138.7 Å²	138.7	85%	0.853	77%	0.766	S	S	*	*			cis	-111.1	-117.9	7.6	-40.8	0	0	0	0	112
945	G	28	Very low	27.8	Very low	62 Å²	62	134.3 Å²	134.3	64%	0.639	76%	0.76	S	S	*	*			cis	173.1	167.8	-1.8	0	0	0	0	0	110.4
946	T	27.7	Very low	27.7	Very low	122 Å²	122	140.5 Å²	140.5	75%	0.748	76%	0.763	S	S	*	*			cis	-166.5	173.1	-10.2	6.2	0	0	0	0	111.6
947	Y	25.2	Very low	27.6	Very low	208 Å²	208	144.3 Å²	144.3	82%	0.816	76%	0.763	S	S	*	*			trans	70.5	139.9	-178.8	-76.6	-106.7	0	0	0	115.6
948	M	24.9	Very low	28.1	Very low	163 Å²	163	144.8 Å²	144.8	80%	0.803	76%	0.758	S	S	*	*			cis	-130.5	-179.2	8.9	-118.7	-49.1	-172.2	0	0	113.6
949	K	26.3	Very low	27.7	Very low	174 Å²	174	145.8 Å²	145.8	76%	0.757	76%	0.764	S	S	*	*			trans	-130.7	164.2	177.2	-122.2	165.6	-173.1	158.4	0	109.5
950	P	36.3	Very low	27.5	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	76%	0.755	S	S	*	*				-140.8	-177.1	64.6	39.2	-18.3	0	0	0	113.4
951	K	25.9	Very low	27.5	Very low	184 Å²	184	143.3 Å²	143.3	80%	0.8	76%	0.756	S	S	*	*			cis	72.1	149.1	30.9	-104.5	-170.1	177.4	-177	0	114.4
952	R	26.6	Very low	27.4	Very low	214 Å²	214	137.1 Å²	137.1	81%	0.808	75%	0.754	S	S	*	*			cis	-135.6	-119	-8.8	-168.3	-131	158.4	148.7	5.5	111.8
953	S	25.4	Very low	27.4	Very low	89 Å²	89	141.4 Å²	141.4	62%	0.622	77%	0.767	S	S	*	*			trans	-168.3	166.5	-170.4	64.2	0	0	0	0	112.4
954	S	25	Very low	27.2	Very low	117 Å²	117	139.8 Å²	139.8	82%	0.818	77%	0.769	S	S	*	*			trans	-148.2	143.1	179	179.5	0	0	0	0	108.1
955	N	27.4	Very low	27.2	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	77%	0.766	S	S	*	*			cis	-163.9	174.5	-19.4	-167.8	5.3	0	0	0	108.3
956	R	25.7	Very low	27	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	76%	0.763	S	S	*	*			trans	72.6	115.2	163.1	-73.3	-170.5	175.2	-161.3	-1.9	121.5
957	Q	23.1	Very low	27	Very low	183 Å²	183	146.9 Å²	146.9	86%	0.855	77%	0.766	S	S	*	*				-73.3	174.2	126.2	-101.4	-174.4	-22.5	0	0	110
958	P	43.1	Very low	27	Very low	102 Å²	102	141.6 Å²	141.6	66%	0.662	77%	0.765	S	S	*	*			cis	-137.2	-176.2	16	44.5	-28	0	0	0	116.6
959	C	22.4	Very low	27	Very low	126 Å²	126	137.8 Å²	137.8	85%	0.851	76%	0.759	S	S	*	*			trans	68.8	149.8	159.2	-64.4	0	0	0	0	118.3
960	S	25.3	Very low	26.9	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	76%	0.76	S	S	*	*			cis	-145.4	150.9	5.7	51	0	0	0	0	113.4
961	S	26.7	Very low	26.4	Very low	118 Å²	118	137 Å²	137	83%	0.825	76%	0.76	S	S	*	*			trans	39.6	128.9	148.7	59.3	0	0	0	0	121.3
962	G	25.9	Very low	27.4	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	76%	0.755	S	S	*	*			cis	162.3	166.4	-2.4	0	0	0	0	0	112.7
963	E	27.9	Very low	27.4	Very low	195 Å²	195	127.1 Å²	127.1	91%	0.911	75%	0.745	S	S	*	*			trans	56.3	145.5	155.6	-58.6	-178.2	143.5	0	0	119.3
964	S	24.3	Very low	27.4	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	76%	0.756	S	S	*	*			cis	-151.1	154.9	-1.1	-111.1	0	0	0	0	109.1
965	L	27.4	Very low	27.5	Very low	149 Å²	149	131.1 Å²	131.1	78%	0.78	75%	0.753	S	S	*	*				43.5	140.9	90.6	-82.3	85.4	0	0	0	115.4
966	D	25.3	Very low	27.5	Very low	109 Å²	109	132.9 Å²	132.9	58%	0.583	76%	0.756	S	S	*	*			cis	-159.3	141.8	-11.3	-135.3	19.6	0	0	0	106.1
967	R	27	Very low	28.5	Very low	214 Å²	214	127.2 Å²	127.2	81%	0.808	75%	0.749	S	S	*	*				74.8	129.3	92.1	-173	-173.8	-175.6	178.7	1.5	117.6
968	A	25.9	Very low	28.7	Very low	97 Å²	97	125.7 Å²	125.7	80%	0.802	75%	0.745	S	S	*	*			trans	67	172.8	168.7	0	0	0	0	0	115.4
969	A	23.8	Very low	27.9	Very low	82 Å²	82	126.7 Å²	126.7	68%	0.678	75%	0.745	S	S	*	*			cis	-152.1	176.7	8	0	0	0	0	0	113.7
970	L	25	Very low	28.1	Very low	150 Å²	150	127.5 Å²	127.5	79%	0.785	74%	0.74	S	S	*	*			trans	14.6	132.2	147.2	-83.4	81.8	0	0	0	120.5
971	V	25.7	Very low	28.4	Very low	125 Å²	125	126.7 Å²	126.7	76%	0.758	73%	0.734	S	S	*	*				61.4	139	83.8	173.3	0	0	0	0	113.4
972	P	46.7	Very low	28.6	Very low	105 Å²	105	129.6 Å²	129.6	68%	0.682	74%	0.735	S	S	*	*			cis	-138	-165	7.2	34	-9.8	0	0	0	116.4
973	S	25.8	Very low	28.8	Very low	86 Å²	86	132 Å²	132	60%	0.601	74%	0.736	S	S	*	*			trans	72.2	131.6	135.2	-85.9	0	0	0	0	122.2
974	Q	26.4	Very low	28.9	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	73%	0.731	S	S	*	*				70.4	144.7	90.7	-62.3	-179.6	19.8	0	0	114.5
975	S	26.4	Very low	29.2	Very low	109 Å²	109	132 Å²	132	76%	0.762	74%	0.739	S	S	*	*			cis	-154	169.9	6.7	47.2	0	0	0	0	113.2
976	H	28.7	Very low	29.2	Very low	178 Å²	178	131.2 Å²	131.2	82%	0.824	74%	0.74	S	S	*	*			trans	-57.6	179.9	154	-60.2	-66.1	0	0	0	111.9
977	P	46.7	Very low	29.5	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	75%	0.75	S	S	*	*			cis	-147.6	-159.3	17.6	37	-10.9	0	0	0	116.7
978	L	25.6	Very low	29.7	Very low	150 Å²	150	127.4 Å²	127.4	79%	0.785	75%	0.749	S	S	*	*			trans	73.3	153.3	157.3	-66.7	167.5	0	0	0	117.8
979	N	26.2	Very low	30.1	Very low	123 Å²	123	128 Å²	128	66%	0.658	75%	0.747	S	S	*	*			cis	-161.9	-178.9	-26.8	-152.7	-2	0	0	0	110.8
980	L	27.9	Very low	30.7	Very low	144 Å²	144	128.1 Å²	128.1	75%	0.754	74%	0.743	S	S	*	*			trans	-4.9	149.7	152.4	-69.8	164.4	0	0	0	118.8
981	S	31.2	Very low	31.2	Very low	83 Å²	83	128.2 Å²	128.2	58%	0.58	74%	0.739	S	S	*	*			cis	176.2	-170.4	2.8	52	0	0	0	0	111.3
982	Q	31.4	Very low	31.6	Very low	179 Å²	179	127.8 Å²	127.8	84%	0.836	73%	0.729	S	S	*	*			trans	72.8	159.1	158.2	-67.4	179.6	10.2	0	0	117.5
983	V	30	Very low	31	Very low	119 Å²	119	132.7 Å²	132.7	72%	0.721	73%	0.734	S	S	*	*			cis	-154.4	175.8	-10	117.9	0	0	0	0	112.4
984	Q	28.8	Very low	31.3	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	74%	0.735	S	S	*	*			trans	-52.3	159.9	178.5	-61.2	152	-49.8	0	0	116.3
985	S	31	Very low	31.6	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	73%	0.733	S	S	*	*				-179.5	175.8	77.7	48.5	0	0	0	0	109.8
986	V	28.2	Very low	31.9	Very low	132 Å²	132	132.3 Å²	132.3	80%	0.8	73%	0.733	S	S	*	*			cis	-143.3	170.5	28.9	175.8	0	0	0	0	110.4
987	V	32.2	Very low	32	Very low	129 Å²	129	129.1 Å²	129.1	78%	0.782	73%	0.731	S	S	*	*			trans	-135.6	156	-173.7	-176.8	0	0	0	0	111.4
988	S	31	Very low	31.2	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	74%	0.74	S	S	*	*			trans	134.1	140.8	145.7	-63.6	0	0	0	0	113.2
989	S	34.2	Very low	31.4	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	74%	0.741	S	S	*	*			cis	-142.8	-153.3	-5.4	57.9	0	0	0	0	108.3
990	S	36.1	Very low	31.5	Very low	85 Å²	85	131.5 Å²	131.5	59%	0.594	75%	0.75	S	S	*	*			cis	-163.1	173.8	2.2	-103.8	0	0	0	0	105.8
991	Q	35.3	Very low	31.7	Very low	152 Å²	152	129.3 Å²	129.3	71%	0.71	75%	0.747	S	S	*	*			cis	-178.9	152.9	-30.1	-105	178.5	-62.1	0	0	105.3
992	E	33.2	Very low	31.7	Very low	116 Å²	116	130.8 Å²	130.8	54%	0.542	76%	0.757	S	S	.	*			cis	-162.8	165.9	-14.3	-149	-178.7	104.9	0	0	107.6
993	R	35.4	Very low	31.8	Very low	209 Å²	209	129.7 Å²	129.7	79%	0.789	76%	0.756	S	S	*	*			trans	70.9	149	161.9	-67.8	176.9	-158.5	-143.1	-5.1	117.5
994	S	32.3	Very low	31.9	Very low	89 Å²	89	132.2 Å²	132.2	62%	0.622	76%	0.76	S	S	*	*			cis	-157.2	145.1	4.8	-120.8	0	0	0	0	115.3
995	L	31.5	Very low	32	Very low	151 Å²	151	135 Å²	135	79%	0.791	76%	0.763	S	S	*	*			trans	68.8	121.8	137.5	-64.2	165.9	0	0	0	124.4
996	V	32.9	Very low	32.1	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	76%	0.762	S	S	*	*				80.4	115.1	126.5	173.9	0	0	0	0	121.7
997	S	29.9	Very low	32.1	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	76%	0.761	S	S	*	*				172.8	150	108.1	-165	0	0	0	0	113.7
998	H	31.6	Very low	31.8	Very low	193 Å²	193	138.2 Å²	138.2	89%	0.894	76%	0.756	S	S	*	*			trans	-74.9	166.8	-175	-62	-99.2	0	0	0	115.3
999	G	28.5	Very low	31.7	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	76%	0.761	S	S	*	*			trans	-177.5	32.7	174.4	0	0	0	0	0	120.2
1000	D	29.3	Very low	33.1	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	76%	0.759	S	S	*	*			trans	-63.4	157.9	167.2	-85.8	-53.9	0	0	0	112.3
1001	S	31.5	Very low	33.5	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	77%	0.768	S	S	*	*			cis	-172.9	-164.1	-9.4	59.1	0	0	0	0	110.2
1002	S	30.9	Very low	33.2	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	77%	0.767	S	S	*	*			trans	104.8	157.2	149.2	83.1	0	0	0	0	119.9
1003	L	33.8	Very low	33.3	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	78%	0.778	S	S	*	*			trans	-132.3	149.3	-166.9	-59.1	145.1	0	0	0	108.9
1004	H	32.3	Very low	33.8	Very low	171 Å²	171	137.5 Å²	137.5	79%	0.792	78%	0.778	S	S	*	*				-179.3	151.9	120.8	-116.4	38.1	0	0	0	118.6
1005	R	31.6	Very low	33.6	Very low	230 Å²	230	137 Å²	137	87%	0.868	78%	0.78	S	S	*	*			trans	69.9	170.4	149.2	-101.6	179.8	178.1	175.3	-0.4	122
1006	Q	31.7	Very low	33.6	Very low	165 Å²	165	134.8 Å²	134.8	77%	0.771	78%	0.777	S	S	*	*			trans	-128	168.8	-159.2	-64	174.3	-28.8	0	0	111.9
1007	Q	29.8	Very low	33.4	Very low	165 Å²	165	135.4 Å²	135.4	77%	0.771	77%	0.771	S	S	*	*			trans	115.8	126.5	143.3	-63.6	-156.8	5.9	0	0	119.7
1008	T	25.7	Very low	33.3	Very low	111 Å²	111	140.2 Å²	140.2	68%	0.681	77%	0.774	S	S	*	*			trans	73.3	92.3	137.1	-53	0	0	0	0	121.8
1009	F	28.6	Very low	33.1	Very low	202 Å²	202	135.8 Å²	135.8	89%	0.886	76%	0.764	S	S	*	*			trans	66.4	175	132.1	-82.3	-60.9	0	0	0	119.9
1010	P	63	Low	33.3	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	77%	0.768	S	S	*	*			trans	-95	-176.5	-147.2	44.6	-41	0	0	0	113.5
1011	P	45.4	Very low	34	Very low	121 Å²	121	140 Å²	140	79%	0.786	77%	0.767	S	S	*	*			cis	-150.9	-161.3	24.6	44.8	-21.6	0	0	0	118.9
1012	A	27.1	Very low	33.9	Very low	84 Å²	84	143.6 Å²	143.6	69%	0.694	77%	0.772	S	S	*	*			trans	84.2	94.8	150.8	0	0	0	0	0	123.2
1013	V	36.3	Very low	33.8	Very low	128 Å²	128	143.2 Å²	143.2	78%	0.776	77%	0.765	S	S	*	*				31.7	123.9	110.5	-179.1	0	0	0	0	117.8
1014	P	46.3	Very low	33.5	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	76%	0.764	S	S	*	*				-142.6	177.5	76.5	41.8	-24.5	0	0	0	115.1
1015	A	28.4	Very low	33.2	Very low	80 Å²	80	137.5 Å²	137.5	66%	0.661	76%	0.757	S	S	*	*			cis	-150.3	173.4	16.5	0	0	0	0	0	114.1
1016	S	31.1	Very low	32.9	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	76%	0.759	S	S	*	*			trans	51.2	107.5	165.7	53	0	0	0	0	117.9
1017	H	28.1	Very low	33	Very low	141 Å²	141	131.5 Å²	131.5	65%	0.653	76%	0.76	S	S	*	*			cis	62.6	135.6	29.9	-60	-91.3	0	0	0	114.5
1018	Y	27.6	Very low	33.2	Very low	212 Å²	212	129.8 Å²	129.8	83%	0.831	76%	0.763	S	S	*	*			cis	-145.4	169.8	20.3	-62.9	-93.2	0	0	0	110.1
1019	S	28	Very low	33.3	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	76%	0.763	S	S	*	*			cis	-169.7	171.9	-21.3	-92.3	0	0	0	0	110
1020	F	33.6	Very low	34	Very low	200 Å²	200	124.6 Å²	124.6	88%	0.877	76%	0.763	S	S	*	*			trans	-87.5	170.1	164.7	-95.7	-92.9	0	0	0	111.6
1021	P	42.9	Very low	32.3	Very low	126 Å²	126	124.1 Å²	124.1	82%	0.818	77%	0.769	S	S	*	*				-150.9	-168.8	98.5	42.9	-25	0	0	0	116.2
1022	E	28.9	Very low	31.4	Very low	172 Å²	172	122.7 Å²	122.7	80%	0.804	77%	0.767	S	S	*	*			trans	-106.3	-173.3	-172.4	-148.8	-173.7	135.6	0	0	111.7
1023	V	29.1	Very low	31.4	Very low	108 Å²	108	123.7 Å²	123.7	66%	0.655	78%	0.776	S	S	*	*			trans	70.6	112	149.6	168.8	0	0	0	0	120.7
1024	T	28	Very low	31	Very low	127 Å²	127	122 Å²	122	78%	0.779	78%	0.775	S	S	*	*				57.4	114.6	128.1	-49.2	0	0	0	0	123.6
1025	A	26.5	Very low	30	Very low	80 Å²	80	120.8 Å²	120.8	66%	0.661	78%	0.775	S	S	*	*			trans	68	130	138.5	0	0	0	0	0	124.3
1026	L	25.6	Very low	29.9	Very low	174 Å²	174	121.6 Å²	121.6	91%	0.911	78%	0.782	S	S	*	*			trans	64.4	157.8	136.6	-72.4	168.3	0	0	0	121.5
1027	A	33	Very low	29.7	Very low	95 Å²	95	121.1 Å²	121.1	79%	0.785	79%	0.785	S	S	*	*			trans	70.8	156	-179.4	0	0	0	0	0	115.2
1028	P	34.2	Very low	29.7	Very low	129 Å²	129	118.9 Å²	118.9	84%	0.838	79%	0.79	S	S	*	*			cis	-111.6	-174.7	7.2	41.9	-32.4	0	0	0	115.4
1029	G	26.8	Very low	29.8	Very low	66 Å²	66	113.8 Å²	113.8	68%	0.68	79%	0.792	S	S	*	*			trans	-79.1	-170.6	177.6	0	0	0	0	0	115.6
1030	P	44.7	Very low	29.8	Very low	137 Å²	137	113.8 Å²	113.8	89%	0.89	80%	0.798	S	S	*	*			trans	-101.7	143.3	-148.3	36.4	-36.2	0	0	0	117.1
1031	A	26.9	Very low	29.5	Very low	102 Å²	102	108.6 Å²	108.6	84%	0.843	79%	0.792	S	S	*	*			trans	-166.5	144.6	144.4	0	0	0	0	0	109.1
1032	A	27.5	Very low	28.8	Very low	91 Å²	91	104.6 Å²	104.6	75%	0.752	77%	0.77	S	S	*	*			cis	-164.1	154.4	-22.4	0	0	0	0	0	108.4
1033	A	27	Very low	28.9	Very low	106 Å²	106	100.7 Å²	100.7	88%	0.876	76%	0.761	S	S	*	*			trans	62.3	165.3	170.7	0	0	0	0	0	117.1
1034	A	26.5	Very low	28.9	Very low	92 Å²	92	100.6 Å²	100.6	76%	0.76	76%	0.757	S	S	*	*			cis	-166.6	163.7	-34.5	0	0	0	0	0	109.6
1035	A	26.1	Very low	28.9	Very low	95 Å²	95	101.6 Å²	101.6	79%	0.785	75%	0.747	S	S	*	*			trans	63.8	141.8	173.8	0	0	0	0	0	116.1
1036	A	26.7	Very low	28.8	Very low	98 Å²	98	102.7 Å²	102.7	81%	0.81	75%	0.746	S	S	*	*			cis	76.8	135.7	35.5	0	0	0	0	0	113
1037	A	26.4	Very low	29	Very low	93 Å²	93	104.2 Å²	104.2	77%	0.769	74%	0.741	S	S	*	*			cis	-157.5	167.3	7.6	0	0	0	0	0	114.8
1038	A	27.6	Very low	29.4	Very low	94 Å²	94	105.4 Å²	105.4	78%	0.777	74%	0.741	S	S	*	*			trans	64.4	135.9	137.5	0	0	0	0	0	124.9
1039	A	30.3	Very low	29	Very low	105 Å²	105	103.3 Å²	103.3	87%	0.868	73%	0.734	S	S	*	*			trans	67.7	149.8	144.3	0	0	0	0	0	119.5
1040	A	28.7	Very low	29.2	Very low	99 Å²	99	105.7 Å²	105.7	82%	0.818	74%	0.74	S	S	*	*			cis	-142.8	177.9	-2.8	0	0	0	0	0	109.1
1041	A	27.4	Very low	28.7	Very low	91 Å²	91	105.4 Å²	105.4	75%	0.752	74%	0.736	S	S	*	*			cis	-153.6	-177.8	15.6	0	0	0	0	0	113.6
1042	A	27.3	Very low	28.8	Very low	43 Å²	43	105.4 Å²	105.4	36%	0.355	74%	0.737	S	S	.	*			trans	-61.9	168.5	-172.1	0	0	0	0	0	118.9	P599 L600	P599-A1042 HydrophobicContact CB-CB 4.14Å; P599-A1042 WeakPolarHBondContact CB-O 3.34Å; P599-A1042 HydrophobicContact CG-CB 4.18Å; L600-A1042 HydrophobicContact CB-CB 4.38Å
1043	S	30.1	Very low	28.8	Very low	89 Å²	89	108.5 Å²	108.5	62%	0.622	74%	0.739	S	S	*	*			cis	174.5	-166.4	-26.8	-92.5	0	0	0	0	111.3	L600	L600-S1043 WeakPolarHBondContact CD1-O 3.33Å; L600-S1043 WeakPolarHBondContact CD2-O 3.44Å
1044	L	29.7	Very low	28.9	Very low	107 Å²	107	108.4 Å²	108.4	56%	0.56	73%	0.733	S	S	*	*			trans	0.5	136.4	162.1	-54.3	164.8	0	0	0	125.7	L600 L601	L600-L1044 HydrophobicContact CD2-CB 3.64Å; L600-L1044 HydrophobicContact CD2-CG 4.48Å; L600-L1044 WeakPolarHBondContact CD2-O 3.43Å; L601-L1044 HydrophobicContact CD2-CD1 4.18Å
1045	Y	27.2	Very low	29.1	Very low	148 Å²	148	109 Å²	109	58%	0.58	73%	0.731	S	S	*	*				178.1	94	116	-108.4	-76.6	0	0	0	107.6	N602 Y603	N602-Y1045 PolarHBondContact O-OH 3.37Å; N602-Y1045 VanDerWaalsContact O-OH 3.09Å; Y603-Y1045 PolarHBondContact N-OH 2.94Å
1046	T	25.5	Very low	29.2	Very low	103 Å²	103	109.4 Å²	109.4	63%	0.632	73%	0.734	S	S	*	*				86.8	115.9	83.3	-56.4	0	0	0	0	115.3
1047	Y	28.5	Very low	29.4	Very low	205 Å²	205	110 Å²	110	80%	0.804	73%	0.733	S	S	*	*			trans	0.1	157.3	146.3	-75.2	-72.3	0	0	0	121.3
1048	P	41.5	Very low	29.8	Very low	121 Å²	121	114.8 Å²	114.8	79%	0.786	74%	0.739	S	S	*	*			cis	-131.3	-170.5	41.4	13.9	13.7	0	0	0	114.5
1049	A	26.9	Very low	29.8	Very low	84 Å²	84	115.3 Å²	115.3	69%	0.694	74%	0.744	S	S	*	*			cis	174.5	169.2	-26.6	0	0	0	0	0	106.7
1050	S	31.5	Very low	29.7	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	75%	0.746	S	S	*	*			cis	-166.8	167.5	-30.9	-85.6	0	0	0	0	107.9
1051	T	34.4	Very low	29.8	Very low	131 Å²	131	122.3 Å²	122.3	80%	0.804	74%	0.744	S	S	*	*			trans	-90.7	137.6	178.7	48.9	0	0	0	0	114.1
1052	A	27.9	Very low	29.9	Very low	103 Å²	103	125 Å²	125	85%	0.851	74%	0.74	S	S	*	*			trans	-164.7	124.9	162	0	0	0	0	0	110
1053	L	28.5	Very low	30	Very low	155 Å²	155	129.4 Å²	129.4	81%	0.812	76%	0.758	S	S	*	*			cis	101.9	102.3	-5.7	-137.5	176.4	0	0	0	117.8
1054	S	29	Very low	29.9	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	77%	0.766	S	S	*	*			trans	93.7	155.1	155.3	-137.8	0	0	0	0	123.1
1055	S	29.8	Very low	29.7	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	77%	0.77	S	S	*	*			trans	66.9	111.7	152.7	43.9	0	0	0	0	123.8
1056	A	28.8	Very low	29.9	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	79%	0.788	S	S	*	*				60	140.2	120.3	0	0	0	0	0	124
1057	S	31.2	Very low	30.1	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	79%	0.788	S	S	*	*			trans	-70.1	173.5	159.2	-39.3	0	0	0	0	111.4
1058	Q	33.8	Very low	30.2	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	80%	0.795	S	S	*	*			cis	-162.6	145.3	14.1	-157.2	172.5	38.5	0	0	109.8
1059	A	28.2	Very low	29.8	Very low	106 Å²	106	132.8 Å²	132.8	88%	0.876	80%	0.796	S	S	*	*			trans	-161.4	160.6	166.3	0	0	0	0	0	112.3
1060	M	27.3	Very low	30.2	Very low	186 Å²	186	133.3 Å²	133.3	92%	0.916	80%	0.795	S	S	*	*			trans	-155.1	137	-176	179.3	-175.3	-159.1	0	0	110.1
1061	E	30.5	Very low	30.4	Very low	165 Å²	165	136.1 Å²	136.1	77%	0.771	79%	0.794	S	S	*	*			trans	-172.5	-176	143.8	-157.8	86.8	-109	0	0	109.4
1062	Q	30.8	Very low	30.2	Very low	146 Å²	146	133 Å²	133	68%	0.682	79%	0.788	S	S	*	*			trans	-94.9	169.2	-158.5	-56.2	160.8	54.5	0	0	112.1
1063	L	28.8	Very low	30.3	Very low	137 Å²	137	136.8 Å²	136.8	72%	0.717	79%	0.788	S	S	*	*				179.7	154.9	70	-103.9	171.4	0	0	0	112.1
1064	L	27.3	Very low	30.5	Very low	154 Å²	154	134.9 Å²	134.9	81%	0.806	79%	0.788	S	S	*	*			trans	67.5	144.8	156.8	-61.9	163.1	0	0	0	118.3
1065	S	27.3	Very low	31.5	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	79%	0.787	S	S	*	*			cis	-161.5	148.5	4.5	-105	0	0	0	0	113.6
1066	R	29.5	Very low	31.7	Very low	253 Å²	253	135.9 Å²	135.9	96%	0.955	79%	0.792	S	S	*	*			trans	56.5	146	156.6	-64.1	177	169.1	-175.5	-4.8	120.3
1067	G	29.9	Very low	31.9	Very low	62 Å²	62	134.9 Å²	134.9	64%	0.639	78%	0.783	S	S	*	*			cis	156.9	140.9	-14.6	0	0	0	0	0	115.8
1068	H	31.4	Very low	32	Very low	207 Å²	207	140.6 Å²	140.6	96%	0.958	79%	0.789	S	S	*	*			trans	69.3	150.5	172.6	-59.2	49.5	0	0	0	116.6
1069	G	32.3	Very low	31.8	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	78%	0.781	S	S	*	*			cis	145.7	152.7	-2.9	0	0	0	0	0	111
1070	S	35.2	Very low	32	Very low	95 Å²	95	135 Å²	135	66%	0.664	78%	0.777	S	S	*	*			cis	-168.6	167.5	-6.4	-175.8	0	0	0	0	111.2
1071	H	35.8	Very low	32.2	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.806	77%	0.768	S	S	*	*			trans	71.2	149.5	170.2	-50.8	-75	0	0	0	120.1
1072	G	30.3	Very low	32.4	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	77%	0.774	S	S	*	*			cis	170.6	159.8	-11.9	0	0	0	0	0	117.1
1073	H	31.4	Very low	32.3	Very low	184 Å²	184	132.8 Å²	132.8	85%	0.852	78%	0.782	S	S	*	*			trans	79.3	162.3	162.4	-61.2	-74.5	0	0	0	122.5
1074	S	31.5	Very low	32.5	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	78%	0.784	S	S	*	*			trans	-132.9	-159.4	-162.7	-42.2	0	0	0	0	109.9
1075	P	51	Low	32.8	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	78%	0.783	S	S	*	*			cis	-139.9	-168.2	-8.3	43.2	-23.9	0	0	0	116
1076	S	34.5	Very low	33	Very low	119 Å²	119	130 Å²	130	83%	0.832	79%	0.787	S	S	*	*			trans	69.5	157.7	154.5	-78.6	0	0	0	0	120.3
1077	A	32.5	Very low	33.1	Very low	80 Å²	80	123 Å²	123	66%	0.661	78%	0.776	S	S	*	*			cis	-168.1	153.8	-15	0	0	0	0	0	113.4
1078	Y	32.2	Very low	33.2	Very low	232 Å²	232	125.4 Å²	125.4	91%	0.91	78%	0.783	S	S	*	*			trans	47	141.7	148.3	-83.9	-93.6	0	0	0	126
1079	A	30.9	Very low	33.5	Very low	88 Å²	88	120.8 Å²	120.8	73%	0.727	77%	0.774	S	S	*	*			trans	63.3	139.6	155.9	0	0	0	0	0	119.6
1080	A	32.3	Very low	33.6	Very low	94 Å²	94	128 Å²	128	78%	0.777	78%	0.777	S	S	*	*			cis	87.9	137.6	20.4	0	0	0	0	0	115.8
1081	T	31.8	Very low	33.5	Very low	120 Å²	120	135 Å²	135	74%	0.736	79%	0.789	S	S	*	*			cis	-167.5	168.9	-8.5	-92.6	0	0	0	0	110
1082	Y	33.3	Very low	33.4	Very low	228 Å²	228	134 Å²	134	89%	0.894	79%	0.79	S	S	*	*			trans	90.8	135.6	174.1	-74.4	-79	0	0	0	119.2
1083	A	29.7	Very low	33.5	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	80%	0.798	S	S	*	*			trans	163.1	169.1	130.2	0	0	0	0	0	111.9
1084	S	32.5	Very low	33.6	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	80%	0.801	S	S	*	*			trans	-129.3	168.1	-164.7	-59.2	0	0	0	0	115.3
1085	S	34.2	Very low	33.6	Very low	110 Å²	110	131 Å²	131	77%	0.769	80%	0.796	S	S	*	*			trans	80.3	140.3	145.7	42.9	0	0	0	0	123.6
1086	S	31.8	Very low	32.6	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	81%	0.805	S	S	*	*			trans	72.6	102	142.1	56.2	0	0	0	0	123.5
1087	S	31.2	Very low	32.7	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	80%	0.802	S	S	*	*				69.8	127.6	121.5	65.8	0	0	0	0	124.7
1088	S	32	Very low	32.6	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	80%	0.802	S	S	*	*			trans	92.6	107.3	135	73.7	0	0	0	0	122.5
1089	S	37.7	Very low	32.8	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	80%	0.795	S	S	*	*				42.3	124.8	127.2	-166.8	0	0	0	0	122.3
1090	R	33.4	Very low	32.9	Very low	228 Å²	228	139.4 Å²	139.4	86%	0.86	80%	0.8	S	S	*	*				173.4	136	116.5	-97.3	169.9	175.4	-171.4	-0.8	113.7
1091	R	32.8	Very low	33	Very low	244 Å²	244	139.7 Å²	139.7	92%	0.921	80%	0.797	S	S	*	*				166.2	145.6	121.7	-90.1	177.1	-168	-142.4	2.8	112.9
1092	D	35.3	Very low	32.9	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	79%	0.791	S	S	*	*			trans	-105.3	170.7	-173.2	-42.8	-96.9	0	0	0	113.4
1093	S	32.7	Very low	32.9	Very low	120 Å²	120	134.6 Å²	134.6	84%	0.839	79%	0.787	S	S	*	*			trans	-167	114.9	150.2	-81.1	0	0	0	0	114.3
1094	A	33.1	Very low	33.1	Very low	111 Å²	111	136.2 Å²	136.2	92%	0.917	78%	0.78	S	S	*	*			trans	54.5	147.5	153.4	0	0	0	0	0	122
1095	G	30.2	Very low	33	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	78%	0.783	S	S	*	*			cis	169.1	172.9	-7	0	0	0	0	0	114.9
1096	R	31.6	Very low	32.9	Very low	244 Å²	244	137.4 Å²	137.4	92%	0.921	78%	0.78	S	S	*	*			trans	73.4	119.2	-174.8	-62.5	-174.9	175	-160.4	-2.2	114.4
1097	K	34.6	Very low	33	Very low	174 Å²	174	140.7 Å²	140.7	76%	0.757	79%	0.788	S	S	*	*				81.1	136.8	63.9	-82.3	-173.4	155.7	-147.1	0	112.1
1098	E	31.5	Very low	33.8	Very low	141 Å²	141	142 Å²	142	66%	0.659	79%	0.794	S	S	*	*			cis	-156.9	163.7	20.7	-146.9	146	-140.4	0	0	114.4
1099	S	35.9	Very low	34.1	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	80%	0.796	S	S	*	*			trans	68.6	169.5	172.5	75.3	0	0	0	0	117.2
1100	V	32.9	Very low	34	Very low	140 Å²	140	140.6 Å²	140.6	85%	0.848	80%	0.796	S	S	*	*			cis	-130.2	-127.7	5.4	-157.3	0	0	0	0	112.5
1101	S	33.9	Very low	34	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	80%	0.796	S	S	*	*			trans	-166.4	167.8	-167.9	-171.8	0	0	0	0	108.5
1102	S	30.8	Very low	33.9	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	79%	0.788	S	S	*	*			cis	-164.7	157	25.1	-30.6	0	0	0	0	113.8
1103	L	33	Very low	33.7	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	78%	0.783	S	S	*	*			trans	59.1	123.5	147.9	-56.8	164	0	0	0	119.6
1104	L	33.6	Very low	33.7	Very low	136 Å²	136	137.7 Å²	137.7	71%	0.712	78%	0.776	S	S	*	*				68.9	133.4	63.8	-65.4	-177.4	0	0	0	114.8
1105	H	32	Very low	33.6	Very low	178 Å²	178	141 Å²	141	82%	0.824	77%	0.77	S	S	*	*			cis	-127.8	-153.3	4.8	-67.1	-88.9	0	0	0	111.1
1106	G	30.7	Very low	33.8	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	78%	0.775	S	S	*	*			cis	179	-166.1	7.7	0	0	0	0	0	113.8
1107	L	34.7	Very low	33.9	Very low	171 Å²	171	135.9 Å²	135.9	90%	0.895	77%	0.774	S	S	*	*			trans	-137.4	150.3	173.5	-79.5	173	0	0	0	111.2
1108	P	47.9	Very low	33.6	Very low	133 Å²	133	131.6 Å²	131.6	86%	0.864	78%	0.779	S	S	*	*				-150.3	-149.1	97.8	41	-21.2	0	0	0	114.3
1109	A	38.1	Very low	33.8	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	79%	0.786	S	S	*	*			trans	-143	176.5	-164.4	0	0	0	0	0	116.3
1110	A	35.8	Very low	35	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	78%	0.783	S	S	*	*			trans	101.5	123.2	157.8	0	0	0	0	0	122
1111	Y	32.3	Very low	35.1	Very low	220 Å²	220	133.6 Å²	133.6	86%	0.863	78%	0.782	S	S	*	*			trans	55.2	135.4	138.6	-92.4	-90	0	0	0	126.4
1112	Q	31.1	Very low	35.2	Very low	162 Å²	162	134.6 Å²	134.6	76%	0.757	78%	0.783	S	S	*	*			trans	99.4	108.5	135.9	-124.8	171.8	-23.4	0	0	124.4
1113	H	31.6	Very low	35.4	Very low	153 Å²	153	134.9 Å²	134.9	71%	0.708	79%	0.785	S	S	*	*			trans	57.2	129.8	134.8	-78.9	-123.7	0	0	0	126.8
1114	Q	32.5	Very low	35.4	Very low	150 Å²	150	133.6 Å²	133.6	70%	0.701	78%	0.783	S	S	*	*				101.2	135.6	124.5	-87.8	173.8	-20.8	0	0	126.3
1115	F	31.3	Very low	35.6	Very low	179 Å²	179	133.3 Å²	133.3	79%	0.785	79%	0.788	S	S	*	*			trans	64.9	98.1	147.9	-72.5	-58.1	0	0	0	126
1116	A	33.9	Very low	36.8	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	78%	0.784	S	S	*	*				9.9	148.7	124.9	0	0	0	0	0	124.8
1117	A	33.8	Very low	36.9	Very low	108 Å²	108	137.6 Å²	137.6	89%	0.893	79%	0.79	S	S	*	*			trans	-166.5	153	130.8	0	0	0	0	0	112.7
1118	G	28.6	Very low	37	Very low	84 Å²	84	133.2 Å²	133.2	87%	0.866	78%	0.778	S	S	*	*			trans	142.8	119.1	164.8	0	0	0	0	0	117.7
1119	S	34.9	Very low	36.3	Very low	114 Å²	114	134 Å²	134	80%	0.797	77%	0.771	S	S	*	*			trans	-161.4	157.9	173.2	-167.9	0	0	0	0	109.7
1120	P	60.9	Low	36	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	77%	0.765	S	S	*	*				-158	151.6	99	39	-19.1	0	0	0	119.4
1121	Y	35.7	Very low	35.6	Very low	210 Å²	210	139.9 Å²	139.9	82%	0.824	77%	0.771	S	S	*	*			trans	63.6	147.7	139.4	-82.3	-122.4	0	0	0	121.9
1122	V	35.4	Very low	35.7	Very low	120 Å²	120	134.8 Å²	134.8	73%	0.727	77%	0.768	S	S	*	*			cis	-175.2	168.5	-18	90.9	0	0	0	0	107.4
1123	S	35.1	Very low	35.7	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	76%	0.763	S	S	*	*			cis	-128.4	-106.7	0.5	44.2	0	0	0	0	113.9
1124	V	32.7	Very low	35.6	Very low	124 Å²	124	134.9 Å²	134.9	75%	0.752	77%	0.773	S	S	*	*			cis	-149.4	-170	6.3	-148.8	0	0	0	0	110.3
1125	T	39	Very low	35.3	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	78%	0.781	S	S	*	*			trans	-149.5	173	-166.7	50.2	0	0	0	0	113.4
1126	P	57.2	Low	35.2	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	79%	0.789	S	S	*	*			cis	-142.6	172.5	17.2	44	-25.2	0	0	0	120.6
1127	R	31.8	Very low	35	Very low	223 Å²	223	137.3 Å²	137.3	84%	0.842	79%	0.788	S	S	*	*			trans	66.9	148.6	165.7	-79	-177.1	162.5	148.2	-3.4	117.6	E1129	R1127-E1129 WeakPolarHBondContact CA-OE1 3.47Å
1128	A	37.3	Very low	35.6	Very low	79 Å²	79	137.6 Å²	137.6	65%	0.653	78%	0.781	S	S	*	*			cis	-169.5	164.8	-8.9	0	0	0	0	0	110.5
1129	E	32.3	Very low	35.7	Very low	150 Å²	150	145.7 Å²	145.7	70%	0.701	79%	0.785	S	S	*	*			cis	-166.7	132.4	-35.8	-103.1	125	-132.2	0	0	110.2	R1127	R1127-E1129 WeakPolarHBondContact CA-OE1 3.47Å
1130	A	32.8	Very low	35.5	Very low	85 Å²	85	151.5 Å²	151.5	70%	0.702	79%	0.789	S	S	*	*			trans	57	126.7	155.6	0	0	0	0	0	124.6
1131	Y	28.2	Very low	34.1	Very low	229 Å²	229	153.8 Å²	153.8	90%	0.898	80%	0.795	S	S	*	*				-167.7	151.4	89.6	-110.5	-81.5	0	0	0	114.6
1132	S	32.8	Very low	33.8	Very low	113 Å²	113	149 Å²	149	79%	0.79	79%	0.787	S	S	*	*			trans	-88.8	175.2	-171.6	-61.3	0	0	0	0	114.3
1133	A	31.9	Very low	33.5	Very low	79 Å²	79	150.8 Å²	150.8	65%	0.653	79%	0.788	S	S	*	*			cis	-179.6	172.6	-30.1	0	0	0	0	0	108
1134	Y	28.8	Very low	33.3	Very low	238 Å²	238	155.8 Å²	155.8	93%	0.933	79%	0.794	S	S	*	*			trans	174.3	145.4	130.5	-99.2	-66.7	0	0	0	112.1
1135	Q	27.5	Very low	33.7	Very low	186 Å²	186	154.5 Å²	154.5	87%	0.869	79%	0.788	S	S	*	*			trans	-115.6	147.2	174.1	-69.1	179	-28.9	0	0	110.8
1136	L	28.3	Very low	33.4	Very low	181 Å²	181	158.9 Å²	158.9	95%	0.948	79%	0.791	S	S	*	*			trans	-149.1	158.7	148.4	-93	-177.2	0	0	0	110.1
1137	S	29.2	Very low	32.2	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	82%	0.817	S	S	*	*			trans	-137.1	-169.8	-169	67.3	0	0	0	0	111.8
1138	P	47.3	Very low	32.3	Very low	115 Å²	115	162.2 Å²	162.2	75%	0.747	82%	0.816	S	S	*	*				-120	166	-104.3	37	-21.2	0	0	0	115.2
1139	R	29.9	Very low	32	Very low	254 Å²	254	166.6 Å²	166.6	96%	0.958	82%	0.824	S	S	*	*			trans	-137.1	163	165	-77.5	-164.4	169.8	-172.5	-2.7	113.1
1140	R	32	Very low	32	Very low	235 Å²	235	167.5 Å²	167.5	89%	0.887	83%	0.831	S	S	*	*			trans	-99.9	163.5	-166.8	-57.4	170.5	175.6	169	-4.2	112.9
1141	L	30.3	Very low	31.9	Very low	157 Å²	157	172.4 Å²	172.4	82%	0.822	84%	0.839	S	S	*	*			trans	154.3	112.1	137.7	-99.9	79.1	0	0	0	107.1
1142	T	29.8	Very low	32.2	Very low	108 Å²	108	168.8 Å²	168.8	66%	0.663	84%	0.835	S	S	*	*				85.4	124.5	64.6	58.5	0	0	0	0	115.8
1143	Q	29.9	Very low	32.1	Very low	159 Å²	159	172.5 Å²	172.5	74%	0.743	84%	0.838	S	S	*	*			trans	69.8	152.6	167.1	-53.7	168.9	-17.9	0	0	115.5
1144	Y	30.8	Very low	32.1	Very low	200 Å²	200	179.2 Å²	179.2	78%	0.784	85%	0.851	S	S	*	*			cis	-124.7	170.9	2.7	-93.4	-85.5	0	0	0	112.2
1145	P	40.1	Very low	32.4	Very low	97 Å²	97	174.7 Å²	174.7	63%	0.63	85%	0.845	S	S	*	*			trans	-114	173.5	-174	41.8	-31.2	0	0	0	115.7
1146	Y	32.4	Very low	32.8	Very low	224 Å²	224	173.8 Å²	173.8	88%	0.878	84%	0.843	S	S	*	*			trans	70.9	122.8	166.9	-67.3	-71.7	0	0	0	120
1147	L	33.6	Very low	33.2	Very low	244 Å²	244	173.1 Å²	173.1	100%	1.277	83%	0.833	S	S	*	*			trans	-85.7	0	144	-79.9	162.1	0	0	0	108.7

Retrieved 1,147 of 1,147 residues in 322 ms (Link to these results)

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