A0A087XYM5_POEFO Loading...

Fas-activated serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087XYM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 859 aa.

						>A0A087XYM5_POEFO|A0A087XYM5
MYATRLYSTAGGGGGGGGGLKQGRRAGLAVLEGPQPHLPHHLHPPPPPTYPLYQGRPDAHRGPHFHHHYHPHHLAPPPLPPHYQHHVPVHSYGGGAMAGGGGKKKTWNFIHEKMSYDTFFTMKRLIERSRQPDEVLRWVTQNPAKISHNHYPVALQKIGQLLQATPSPRVAGDGADGEASEADRRQILDQPDFQTLCNAIVNDCAKFDNFSIVNCLYAVASLGLPSDSKVVVVLEAESQSRLSQFNQKDVSMVFSSSMRLHPGSQHPLTEACLAGLEKNLERERHPQTLFLLLSYYRLKWRSLQMAEPATGVAAAINTPPNPEQLVTNRKILRLVKHTLASVSGVRDQEMALLDEMLAACAREASNKSLELIFSSHLFYQNRQEKFINSLAEELPKKVDSITPYTMALIAKYIARHRLRETRLLDTIADFLIRKAEYLDSKVIQKLVFPFSRMSYRPSAEQQFFSRLEEAVELKALCSPLATVNILMSLFQLGHFPGTVLHRVFSSAFISNVTNSPYALIVRRYLSLLDAAVELEYRDYVGPRLQDAHKVLMFDHALTADEVNRKYSYKGLVAEALRQLLGEHSYKQDEVLPPGYYTDFVLWLDGSGRVLPIRSGPCVHPSCITVTTKSAAGAVAAVTAELQCFSPFTAPEDGGDPSSPAANGAGGATEDRAFRPRPPEGPLAVTDGGPLDYGPYYAPAAQFYTGLAKEPSVESQDSSTLSSPPSDSAAPPPAAPRGPDSLFQFSIGKILEDEGSGATSEVQGAQMAGFYSEGTATTRADPDGPPPDQRHIRRVILSVNDKWHYCHNSEVLVGSRAMRDRHLRLLGYVILQLPYHELEKLNGIEEVKQYLHQKLLDVPL
					

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	23.6	Very low	25.2	Very low	237 Å²	237	152.5 Å²	152.5	100%	1.167	85%	0.845	S	S	*	*				0	149.3	0	-64.5	159.2	179.6	0	0	108.5
2	Y	24.1	Very low	25.2	Very low	156 Å²	156	146.9 Å²	146.9	61%	0.612	85%	0.847	S	S	*	*			trans	-147.2	117	174	-88.9	-79.3	0	0	0	109.4	Q348	Y2-Q348 WeakPolarHBondContact OH-CG 3.47Å
3	A	22.1	Very low	25.1	Very low	83 Å²	83	142 Å²	142	69%	0.686	85%	0.848	S	S	*	*			trans	-120.6	120.2	171.3	0	0	0	0	0	108.9
4	T	27.9	Very low	25	Very low	111 Å²	111	138.2 Å²	138.2	68%	0.681	85%	0.853	S	S	*	*			trans	-114.6	102.1	177.6	-51.7	0	0	0	0	108.3
5	R	26.2	Very low	25	Very low	243 Å²	243	134.4 Å²	134.4	92%	0.917	85%	0.852	S	S	*	*			trans	-71.1	139.7	172	-69.9	-176.5	176.8	179.1	-0	109.6
6	L	27.6	Very low	25	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	86%	0.858	S	S	*	*			trans	-106.9	134.3	170.8	-72	171.2	0	0	0	109.6
7	Y	26	Very low	25	Very low	235 Å²	235	129.1 Å²	129.1	92%	0.922	86%	0.859	S	S	*	*			trans	-73.6	145.3	171.2	-89.3	-91.8	0	0	0	110.8
8	S	23	Very low	25	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	86%	0.861	S	S	*	*			trans	-101	137	170.7	-64.1	0	0	0	0	110.3
9	T	25.4	Very low	25	Very low	143 Å²	143	124.3 Å²	124.3	88%	0.877	86%	0.86	S	S	*	*			trans	-124.8	129.8	167.4	49.3	0	0	0	0	109.2
10	A	26.2	Very low	25	Very low	108 Å²	108	126.3 Å²	126.3	89%	0.893	86%	0.86	S	S	*	*			trans	-151	135.7	180	0	0	0	0	0	110.6
11	G	25	Very low	25	Very low	86 Å²	86	129.6 Å²	129.6	89%	0.887	86%	0.86	S	S	*	*			trans	105.2	135.1	-177.6	0	0	0	0	0	113.1
12	G	25.4	Very low	25	Very low	85 Å²	85	127.2 Å²	127.2	88%	0.876	85%	0.846	S	S	*	*			cis	159.4	123.8	-14.2	0	0	0	0	0	115.2
13	G	23.6	Very low	25	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	86%	0.856	S	S	*	*			trans	94.8	148.1	159.5	0	0	0	0	0	117.1
14	G	24.6	Very low	25.1	Very low	89 Å²	89	132 Å²	132	92%	0.918	87%	0.87	S	S	*	*			trans	80	141.3	179.6	0	0	0	0	0	113.9
15	G	25	Very low	25	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	88%	0.882	S	S	*	*			cis	172.8	119.6	-5.4	0	0	0	0	0	108.4
16	G	24.8	Very low	24.9	Very low	92 Å²	92	132 Å²	132	95%	0.948	88%	0.879	S	S	*	*			trans	-88.8	138	-166	0	0	0	0	0	115.1
17	G	24.4	Very low	24.8	Very low	86 Å²	86	128 Å²	128	89%	0.887	88%	0.877	S	S	*	*			trans	-152.5	128.1	166.5	0	0	0	0	0	109.8
18	G	24.8	Very low	24.8	Very low	86 Å²	86	125.2 Å²	125.2	89%	0.887	88%	0.877	S	S	*	*			trans	-117.2	162.3	-171.5	0	0	0	0	0	114.2
19	G	24.6	Very low	24.9	Very low	82 Å²	82	124.2 Å²	124.2	85%	0.845	88%	0.876	S	S	*	*			trans	-148.8	127.5	174	0	0	0	0	0	112
20	L	24.9	Very low	25	Very low	164 Å²	164	123.6 Å²	123.6	86%	0.859	87%	0.872	S	S	*	*			trans	-103.7	147.1	178.4	-67.8	100.5	0	0	0	112.4
21	K	25.2	Very low	25	Very low	196 Å²	196	125.7 Å²	125.7	85%	0.852	87%	0.867	S	S	*	*			trans	-176.4	115.9	138.3	-96.1	147	-174	179.4	0	108
22	Q	23.6	Very low	24.9	Very low	187 Å²	187	130.1 Å²	130.1	87%	0.874	87%	0.865	S	S	*	*				63.3	98.2	77.7	-73.7	-165.2	-12.8	0	0	114.2
23	G	24.3	Very low	24.9	Very low	80 Å²	80	129.4 Å²	129.4	83%	0.825	86%	0.857	S	S	*	*			trans	-80.7	-162.2	-179.6	0	0	0	0	0	116.7
24	R	25	Very low	25.3	Very low	259 Å²	259	131.8 Å²	131.8	98%	0.977	86%	0.858	S	S	*	*			trans	-145.9	163.9	172.1	-118.3	179.8	180	-163.3	-1.2	111.1
25	R	24.8	Very low	25.5	Very low	248 Å²	248	136.1 Å²	136.1	94%	0.936	85%	0.854	S	S	*	*			trans	-137	118.7	-170.1	-178.2	-169.5	-170.2	-166.4	5.7	110.5
26	A	25.8	Very low	26.6	Very low	105 Å²	105	136.5 Å²	136.5	87%	0.868	84%	0.842	S	S	*	*			trans	-166.2	155.6	166.7	0	0	0	0	0	107.3
27	G	25	Very low	26.8	Very low	76 Å²	76	140.7 Å²	140.7	78%	0.784	84%	0.837	S	S	*	*			cis	178.3	131.3	-7.2	0	0	0	0	0	108.1
28	L	26.4	Very low	27	Very low	177 Å²	177	143.8 Å²	143.8	93%	0.927	83%	0.832	S	S	*	*			trans	-86.6	140.6	-178.6	-106.2	163.9	0	0	0	111
29	A	25.1	Very low	28.1	Very low	95 Å²	95	144 Å²	144	79%	0.785	82%	0.817	S	S	*	*			trans	-141.8	153	168.7	0	0	0	0	0	109.8
30	V	27	Very low	28.3	Very low	130 Å²	130	147.4 Å²	147.4	79%	0.788	81%	0.811	S	S	*	*			trans	-127.6	147.4	-174.1	172.4	0	0	0	0	108.6
31	L	25.7	Very low	28.8	Very low	152 Å²	152	147.2 Å²	147.2	80%	0.796	81%	0.806	S	S	*	*			trans	-179.3	119.1	150.7	-89.8	145.6	0	0	0	104.9
32	E	23.3	Very low	28.8	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	81%	0.806	S	S	*	*				84.4	150.8	64.7	-150.9	162.5	-143.9	0	0	113.1
33	G	25.5	Very low	29.3	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	80%	0.803	S	S	*	*			trans	-82.2	-165.6	-164.6	0	0	0	0	0	115.9
34	P	31	Very low	31.2	Very low	132 Å²	132	146.2 Å²	146.2	86%	0.857	80%	0.795	S	S	*	*			cis	-144	-174.4	36.2	42.2	-22	0	0	0	117.7
35	Q	30.3	Very low	32.6	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	78%	0.784	S	S	*	*			trans	-78.5	-178.1	158.9	-92.3	-171.9	-17.1	0	0	111.2
36	P	47.9	Very low	34.3	Very low	90 Å²	90	132.7 Å²	132.7	58%	0.584	77%	0.773	S	S	*	*			cis	-139.3	-168.8	13.3	38.4	-16.1	0	0	0	116
37	H	27.3	Very low	35.8	Very low	180 Å²	180	133.2 Å²	133.2	83%	0.833	77%	0.768	S	S	*	*				176.5	162.7	116.4	-85.8	-61.4	0	0	0	113.2
38	L	28.8	Very low	37.4	Very low	151 Å²	151	134.4 Å²	134.4	79%	0.791	76%	0.761	S	S	*	*			trans	-149.5	168.1	-163.4	-115.5	171.7	0	0	0	110.9
39	P	49.3	Very low	37.8	Very low	89 Å²	89	131.4 Å²	131.4	58%	0.578	75%	0.75	S	S	*	*				-143.2	-167.5	72.5	40.3	-20.6	0	0	0	113.3
40	H	29.1	Very low	38	Very low	155 Å²	155	137.3 Å²	137.3	72%	0.718	75%	0.754	S	S	*	*			cis	-136.2	178.9	3.2	-86.1	-68.5	0	0	0	108.5
41	H	33.6	Very low	39.3	Very low	160 Å²	160	135.8 Å²	135.8	74%	0.741	75%	0.747	S	S	*	*			cis	81	141.8	23.5	-49.1	-53.2	0	0	0	115.6
42	L	26.4	Very low	39.4	Very low	166 Å²	166	135.5 Å²	135.5	87%	0.869	75%	0.745	S	S	*	*			cis	-133.7	168	14.3	-77.8	171	0	0	0	115.4
43	H	33	Very low	39.7	Very low	175 Å²	175	135.9 Å²	135.9	81%	0.81	74%	0.74	S	S	*	*			trans	-159.7	-172.6	179.8	-132.2	-4.8	0	0	0	109.7
44	P	65.1	Low	39.9	Very low	100 Å²	100	140.2 Å²	140.2	65%	0.649	74%	0.742	S	S	*	*			cis	-117.6	-103.8	6	32.6	-7.3	0	0	0	113.6
45	P	55.1	Low	39.7	Very low	115 Å²	115	137.6 Å²	137.6	75%	0.747	74%	0.739	S	S	*	*			cis	-120.3	-101.8	-5.1	25.4	3	0	0	0	118.8
46	P	60.2	Low	39.6	Very low	109 Å²	109	139 Å²	139	71%	0.708	74%	0.736	S	S	*	*			trans	-142.9	-176.7	-138.7	44.5	-23.9	0	0	0	120.3
47	P	57	Low	39.6	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	74%	0.74	S	S	*	*			cis	-126.8	-126	-32.7	33.3	-9.7	0	0	0	110.3
48	P	59	Low	39.8	Very low	100 Å²	100	136.4 Å²	136.4	65%	0.649	73%	0.729	S	S	*	*			cis	-136.7	171.7	-34.2	36.9	-16.3	0	0	0	118.8
49	T	33.6	Very low	39.9	Very low	114 Å²	114	132.4 Å²	132.4	70%	0.699	72%	0.718	S	S	*	*			trans	63.6	99	141.3	53.7	0	0	0	0	126.8
50	Y	30.2	Very low	39.1	Very low	220 Å²	220	136.8 Å²	136.8	86%	0.863	73%	0.731	S	S	*	*				71.4	177	113.7	-71.2	-56.5	0	0	0	122.7
51	P	53.1	Low	39.2	Very low	97 Å²	97	141.3 Å²	141.3	63%	0.63	74%	0.741	S	S	*	*				-143.3	-159.2	-99.4	40.5	-14.8	0	0	0	117.5
52	L	29.4	Very low	39	Very low	146 Å²	146	136.9 Å²	136.9	76%	0.764	74%	0.739	S	S	*	*			trans	71.8	165	158.1	-71.5	170.2	0	0	0	117.8
53	Y	29.1	Very low	39.7	Very low	189 Å²	189	135.2 Å²	135.2	74%	0.741	74%	0.738	S	S	*	*			cis	-172.1	175.2	-33.4	-138.3	-158.8	0	0	0	106.9
54	Q	29.9	Very low	39.5	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	74%	0.736	S	S	*	*			cis	-162.9	175.9	-6.7	-152.8	-176	9	0	0	108.5
55	G	26.6	Very low	37.7	Very low	77 Å²	77	140.4 Å²	140.4	79%	0.794	75%	0.751	S	S	*	*			trans	176.2	127.7	165.6	0	0	0	0	0	118.5
56	R	27.2	Very low	36.5	Very low	209 Å²	209	143 Å²	143	79%	0.789	75%	0.753	S	S	*	*			trans	-146.5	-178.4	173	-124.5	-169	118.6	163.8	-4.5	106.7	D58	R56-D58 IonicContact CZ-OD1 3.18Å; R56-D58 IonicContact NE-OD1 2.9Å; R56-D58 PolarHBondContact NE-OD1 3.19Å; R56-D58 IonicContact NH2-OD1 2.67Å; R56-D58 PolarHBondContact NH2-OD1 3.3Å; R56-D58 IonicContact NH2-OD2 2.7Å; R56-D58 PolarHBondContact NH2-OD2 3.43Å
57	P	48.1	Very low	35	Very low	102 Å²	102	146.2 Å²	146.2	66%	0.662	76%	0.758	S	S	*	*			cis	-138.8	159.6	8.9	39	-18.4	0	0	0	118.8
58	D	32.4	Very low	33.6	Very low	115 Å²	115	148.8 Å²	148.8	62%	0.615	76%	0.76	S	S	*	*			trans	68.1	152	132.3	-66.2	12.7	0	0	0	122.4	R56	R56-D58 IonicContact CZ-OD1 3.18Å; R56-D58 IonicContact NE-OD1 2.9Å; R56-D58 PolarHBondContact NE-OD1 3.19Å; R56-D58 IonicContact NH2-OD1 2.67Å; R56-D58 PolarHBondContact NH2-OD1 3.3Å; R56-D58 IonicContact NH2-OD2 2.7Å; R56-D58 PolarHBondContact NH2-OD2 3.43Å
59	A	31.3	Very low	32.1	Very low	67 Å²	67	154.4 Å²	154.4	55%	0.554	77%	0.769	S	S	*	*			cis	-160.9	165.7	-9.4	0	0	0	0	0	112
60	H	31.9	Very low	32	Very low	181 Å²	181	157.3 Å²	157.3	84%	0.838	77%	0.774	S	S	*	*				166.6	136.9	115.7	-83.7	-54.8	0	0	0	115.5
61	R	30.7	Very low	32.7	Very low	249 Å²	249	151.5 Å²	151.5	94%	0.94	76%	0.764	S	S	*	*			trans	57.8	116.1	159.7	-71.2	-178	168.4	160.7	-2.3	120.4
62	G	30.2	Very low	31.7	Very low	68 Å²	68	154.4 Å²	154.4	70%	0.701	77%	0.769	S	S	*	*			trans	-97.7	-139.7	159.5	0	0	0	0	0	112.1
63	P	40.1	Very low	31.7	Very low	131 Å²	131	155.1 Å²	155.1	85%	0.851	77%	0.768	S	S	*	*			cis	-121.9	-176.6	17.3	42	-28.8	0	0	0	115.6
64	H	29.3	Very low	31.6	Very low	164 Å²	164	154.8 Å²	154.8	76%	0.759	78%	0.778	S	S	*	*			trans	-102.4	170.6	-173.8	-51.8	-99.9	0	0	0	113.7
65	F	27.9	Very low	31.6	Very low	219 Å²	219	151.4 Å²	151.4	96%	0.961	78%	0.778	S	S	*	*			trans	-140.2	147.7	140.3	-106.7	-78.9	0	0	0	111.6
66	H	29.3	Very low	32.6	Very low	170 Å²	170	153.5 Å²	153.5	79%	0.787	78%	0.777	S	S	*	*			trans	-109.1	154.9	-179.1	-109.7	-85.1	0	0	0	111.5
67	H	27.7	Very low	33.5	Very low	176 Å²	176	149 Å²	149	82%	0.815	78%	0.775	S	S	*	*			trans	-95.6	137.5	162.2	-89.2	5.1	0	0	0	110.6
68	H	28.7	Very low	33.1	Very low	171 Å²	171	149.7 Å²	149.7	79%	0.792	78%	0.779	S	S	*	*			trans	-161.1	131.5	153.1	-108.3	34.1	0	0	0	113.5
69	Y	27.2	Very low	33.1	Very low	217 Å²	217	151 Å²	151	85%	0.851	79%	0.785	S	S	*	*			trans	44.3	147.3	148.7	-75.1	-86.7	0	0	0	125.5
70	H	32.1	Very low	33.5	Very low	175 Å²	175	152.8 Å²	152.8	81%	0.81	79%	0.792	S	S	*	*			trans	-86.3	171	172.6	-120.5	-35.2	0	0	0	111.2
71	P	44.8	Very low	34.1	Very low	99 Å²	99	149.3 Å²	149.3	64%	0.643	79%	0.785	S	S	*	*				-166.8	-175.9	70.8	47	-24.7	0	0	0	121.1
72	H	30.8	Very low	34	Very low	157 Å²	157	144 Å²	144	73%	0.727	77%	0.771	S	S	*	*			trans	73.4	121.5	146.8	-69.2	-52.7	0	0	0	126.6
73	H	30.1	Very low	34	Very low	162 Å²	162	151.7 Å²	151.7	75%	0.75	78%	0.78	S	S	*	*			trans	55.3	120.6	138.2	-62	-60.6	0	0	0	125.5
74	L	28.4	Very low	33.3	Very low	181 Å²	181	153.8 Å²	153.8	95%	0.948	78%	0.779	S	S	*	*				-173.6	-175.5	113.9	-99.7	165.9	0	0	0	111.4
75	A	29.5	Very low	33.2	Very low	90 Å²	90	154 Å²	154	74%	0.744	78%	0.78	S	S	*	*			trans	-135.5	-166.6	-162.7	0	0	0	0	0	115.3
76	P	46	Very low	33.1	Very low	120 Å²	120	152.5 Å²	152.5	78%	0.779	78%	0.775	S	S	*	*			trans	-93.9	-173.2	-132.6	45.9	-35.4	0	0	0	114
77	P	46.4	Very low	33.1	Very low	116 Å²	116	150.4 Å²	150.4	75%	0.753	77%	0.774	S	S	*	*			cis	-135.2	-154.5	23.4	43.3	-20.2	0	0	0	113.2
78	P	41.1	Very low	33.2	Very low	116 Å²	116	148 Å²	148	75%	0.753	77%	0.774	S	S	*	*			cis	-135.9	-125.5	1	43	-20.4	0	0	0	116.3
79	L	30.8	Very low	33.1	Very low	141 Å²	141	145.5 Å²	145.5	74%	0.738	77%	0.77	S	S	*	*			trans	-155.7	-176.1	-163	-78.1	177.2	0	0	0	108.5
80	P	41	Very low	33.2	Very low	106 Å²	106	143.9 Å²	143.9	69%	0.688	77%	0.77	S	S	*	*			cis	-138.1	-153.4	11.8	45.9	-26.1	0	0	0	113.4
81	P	43.4	Very low	32.8	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	77%	0.771	S	S	*	*			cis	-117.1	147	-25.1	22	-0.5	0	0	0	113.3
82	H	29.5	Very low	31.9	Very low	139 Å²	139	147.8 Å²	147.8	64%	0.644	79%	0.785	S	S	*	*				52.8	128.3	84	-58.4	-64.7	0	0	0	115.3
83	Y	29	Very low	31.7	Very low	228 Å²	228	144.1 Å²	144.1	89%	0.894	79%	0.789	S	S	*	*				-151.4	167.7	53.1	-108.8	-89.7	0	0	0	115.4
84	Q	26.4	Very low	31.5	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	80%	0.798	S	S	*	*			trans	-135.2	168	172	-160.4	170.5	9	0	0	111.7
85	H	27.3	Very low	31.5	Very low	168 Å²	168	136.1 Å²	136.1	78%	0.778	80%	0.795	S	S	*	*			trans	-53.8	152	-168	-64.5	-71.9	0	0	0	117.9
86	H	25.8	Very low	31.5	Very low	188 Å²	188	136.6 Å²	136.6	87%	0.87	80%	0.798	S	S	*	*			trans	-137.8	156.6	150.4	-107.7	-93.9	0	0	0	111.1
87	V	28.6	Very low	30.7	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	81%	0.805	S	S	*	*			trans	-123.7	139.2	175.6	176.7	0	0	0	0	109
88	P	30.1	Very low	30	Very low	125 Å²	125	138.5 Å²	138.5	81%	0.812	80%	0.804	S	S	*	*			trans	-129.1	167.7	154.4	33	-17.8	0	0	0	113.3
89	V	26.4	Very low	29.5	Very low	118 Å²	118	137 Å²	137	72%	0.715	81%	0.81	S	S	*	*			trans	-121.8	141.7	-175.1	170.7	0	0	0	0	110.3
90	H	29.5	Very low	29.4	Very low	184 Å²	184	134.1 Å²	134.1	85%	0.852	81%	0.814	S	S	*	*			trans	25.4	129.3	166.9	-56.8	-50.1	0	0	0	121.6
91	S	24.5	Very low	28.9	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	82%	0.824	S	S	*	*				-159.3	178.4	115.7	-153.9	0	0	0	0	113
92	Y	25.5	Very low	28.3	Very low	238 Å²	238	131.4 Å²	131.4	93%	0.933	83%	0.826	S	S	*	*			trans	-57	150.4	-169.5	-87.1	-111.3	0	0	0	117.5
93	G	26.2	Very low	29.1	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	84%	0.837	S	S	*	*			trans	176.2	122.2	162.9	0	0	0	0	0	111.1
94	G	26.3	Very low	29.9	Very low	90 Å²	90	133.7 Å²	133.7	93%	0.928	84%	0.838	S	S	*	*			trans	-100.9	151.4	-173.2	0	0	0	0	0	114.4
95	G	28.2	Very low	30.8	Very low	86 Å²	86	134.6 Å²	134.6	89%	0.887	84%	0.839	S	S	*	*			trans	169	126.8	172.9	0	0	0	0	0	111.1
96	A	30	Very low	31.3	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	83%	0.832	S	S	*	*			trans	-120.1	135.6	-177	0	0	0	0	0	111.3
97	M	28.7	Very low	31.8	Very low	185 Å²	185	131.2 Å²	131.2	91%	0.911	82%	0.824	S	S	*	*			trans	-169.5	144.6	142.8	-105.4	-57.4	170.1	0	0	112.9
98	A	31.2	Very low	32.4	Very low	91 Å²	91	131.3 Å²	131.3	75%	0.752	82%	0.82	S	S	*	*			trans	24.4	118.1	156.4	0	0	0	0	0	122.5
99	G	31	Very low	32.7	Very low	84 Å²	84	131.8 Å²	131.8	87%	0.866	81%	0.81	S	S	*	*				92.7	103.8	110.9	0	0	0	0	0	119.8
100	G	28.5	Very low	33.5	Very low	81 Å²	81	129.8 Å²	129.8	84%	0.835	79%	0.794	S	S	*	*			trans	171.1	123.2	163	0	0	0	0	0	114
101	G	30.3	Very low	34.2	Very low	87 Å²	87	126.6 Å²	126.6	90%	0.897	78%	0.779	S	S	*	*			trans	-84.6	168.8	167.5	0	0	0	0	0	111.8
102	G	31.5	Very low	35	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	77%	0.77	S	S	*	*			cis	158.1	150.3	-2.7	0	0	0	0	0	111.6
103	K	45.4	Very low	35.7	Very low	202 Å²	202	122.4 Å²	122.4	88%	0.878	75%	0.753	S	S	*	*			trans	59.5	101.9	171	-53.4	173.4	-178	176	0	117.5
104	K	46.5	Very low	36.3	Very low	213 Å²	213	124.2 Å²	124.2	93%	0.926	74%	0.742	S	S	*	*	S	Bend	trans	-172.5	34.9	144.5	-111.4	170.1	-175.7	-179.3	0	118.1
105	K	45.1	Very low	37.7	Very low	194 Å²	194	123.7 Å²	123.7	84%	0.843	72%	0.724	S	S	*	*	S	Bend	trans	-134.3	-21.3	171.6	-71.7	-166.5	176.1	-176.7	0	117.4	W107	K105-W107 PolarHBondContact O-N 3.13Å
106	T	37.9	Very low	39	Very low	101 Å²	101	127.1 Å²	127.1	62%	0.62	71%	0.711	S	S	*	*	H	α-helix	trans	-75	-25.3	-171.3	-33.5	0	0	0	0	115.3	N108 I110	T106-N108 PolarHBondContact O-N 2.91Å; T106-I110 HydrophobicContact CG2-CD1 4.12Å
107	W	36.5	Very low	40.7	Very low	184 Å²	184	127.6 Å²	127.6	70%	0.697	70%	0.7	S	S	*	*	H	α-helix	trans	-69.6	-35.6	-169	-85.9	90.9	0	0	0	114.7	K105 I110 H111	K105-W107 PolarHBondContact O-N 3.13Å; W107-I110 PolarHBondContact O-N 3Å; W107-H111 AromaticContact CE3-CD2 3.94Å; W107-H111 AromaticContact CE3-NE2 3.89Å; W107-H111 PolarHBondContact O-N 2.77Å
108	N	42.1	Very low	42.8	Very low	129 Å²	129	121.1 Å²	121.1	69%	0.69	67%	0.671	S	S	*	*	H	α-helix	trans	-65	-45.6	-176.3	-63.1	23.4	0	0	0	111.5	T106 I110 H111 E112	T106-N108 PolarHBondContact O-N 2.91Å; N108-I110 VanDerWaalsContact C-N 3.27Å; N108-I110 PolarHBondContact O-N 3.33Å; N108-H111 PolarHBondContact O-N 3.26Å; N108-E112 WeakPolarHBondContact O-CB 3.39Å; N108-E112 PolarHBondContact O-N 2.89Å
109	F	35.8	Very low	45.2	Very low	135 Å²	135	119.4 Å²	119.4	59%	0.592	65%	0.647	S	S	*	*	H	α-helix	trans	-67.4	-25.4	-177.4	-160.1	-105.4	0	0	0	113.3	K113	F109-K113 PolarHBondContact O-N 3.13Å
110	I	43.2	Very low	47.7	Very low	76 Å²	76	120 Å²	120	39%	0.39	63%	0.626	S	S	.	*	H	α-helix	trans	-78.3	-44.4	175.3	-64.3	174.6	0	0	0	110.5	T106 W107 N108 E112 K113 M114	T106-I110 HydrophobicContact CG2-CD1 4.12Å; W107-I110 PolarHBondContact O-N 3Å; N108-I110 VanDerWaalsContact C-N 3.27Å; N108-I110 PolarHBondContact O-N 3.33Å; I110-E112 VanDerWaalsContact C-N 3.32Å; I110-E112 PolarHBondContact O-N 3.13Å; I110-K113 PolarHBondContact O-N 2.89Å; I110-M114 HydrophobicContact CG2-CE 4.05Å; I110-M114 HydrophobicContact CG2-CG 4.39Å; I110-M114 HydrophobicContact CG2-SD 3.98Å; I110-M114 WeakPolarHBondContact O-CB 3.46Å; I110-M114 WeakPolarHBondContact O-CG 3.28Å; I110-M114 PolarHBondContact O-N 3.34Å
111	H	44.3	Very low	50.4	Low	117 Å²	117	119.7 Å²	119.7	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-61.4	-40	174.3	-92.4	-83.5	0	0	0	112.5	W107 N108 M114 S115	W107-H111 AromaticContact CE3-CD2 3.94Å; W107-H111 AromaticContact CE3-NE2 3.89Å; W107-H111 PolarHBondContact O-N 2.77Å; N108-H111 PolarHBondContact O-N 3.26Å; H111-M114 PolarHBondContact O-N 3.23Å; H111-S115 VanDerWaalsContact O-CB 3.25Å; H111-S115 WeakPolarHBondContact O-CB 3.41Å; H111-S115 PolarHBondContact O-N 2.92Å
112	E	40.6	Very low	53.1	Low	136 Å²	136	116 Å²	116	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-43.7	179.4	-167.1	165.8	-150.3	0	0	111.8	N108 I110 Y116	N108-E112 WeakPolarHBondContact O-CB 3.39Å; N108-E112 PolarHBondContact O-N 2.89Å; I110-E112 VanDerWaalsContact C-N 3.32Å; I110-E112 PolarHBondContact O-N 3.13Å; E112-Y116 PolarHBondContact O-N 3.27Å
113	K	39.4	Very low	55.8	Low	131 Å²	131	115.8 Å²	115.8	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-67.7	-46.3	172.3	-78.8	-164.5	170.5	-165.6	0	113.6	F109 I110 S115 Y116 D117	F109-K113 PolarHBondContact O-N 3.13Å; I110-K113 PolarHBondContact O-N 2.89Å; K113-S115 VanDerWaalsContact C-N 3.26Å; K113-S115 PolarHBondContact O-N 3.16Å; K113-Y116 WeakPolarHBondContact O-CB 3.39Å; K113-Y116 PolarHBondContact O-N 3.48Å; K113-Y116 VanDerWaalsContact O-N 3.08Å; K113-D117 PolarHBondContact O-N 2.75Å
114	M	40.5	Very low	57.8	Low	117 Å²	117	113.9 Å²	113.9	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-60.8	-35.7	178.5	-77.9	-178.7	168.2	0	0	112.3	I110 H111 T118	I110-M114 HydrophobicContact CG2-CE 4.05Å; I110-M114 HydrophobicContact CG2-CG 4.39Å; I110-M114 HydrophobicContact CG2-SD 3.98Å; I110-M114 WeakPolarHBondContact O-CB 3.46Å; I110-M114 WeakPolarHBondContact O-CG 3.28Å; I110-M114 PolarHBondContact O-N 3.34Å; H111-M114 PolarHBondContact O-N 3.23Å; M114-T118 VanDerWaalsContact O-CB 3.26Å; M114-T118 WeakPolarHBondContact O-CB 3.23Å; M114-T118 PolarHBondContact O-N 3.24Å; M114-T118 PolarHBondContact O-OG1 2.63Å
115	S	54.9	Low	59.8	Low	79 Å²	79	106.3 Å²	106.3	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-60.4	-46.9	172.7	-177.4	0	0	0	0	111.5	H111 K113 T118 F119	H111-S115 VanDerWaalsContact O-CB 3.25Å; H111-S115 WeakPolarHBondContact O-CB 3.41Å; H111-S115 PolarHBondContact O-N 2.92Å; K113-S115 VanDerWaalsContact C-N 3.26Å; K113-S115 PolarHBondContact O-N 3.16Å; S115-T118 PolarHBondContact O-N 2.93Å; S115-F119 PolarHBondContact O-N 3.18Å
116	Y	56	Low	61.9	Low	158 Å²	158	97 Å²	97	62%	0.62	46%	0.463	S	S	*	.	H	α-helix	trans	-61.9	-50.4	179.9	-138.8	-109.4	0	0	0	112.2	E112 K113 T118 F119 F120	E112-Y116 PolarHBondContact O-N 3.27Å; K113-Y116 WeakPolarHBondContact O-CB 3.39Å; K113-Y116 PolarHBondContact O-N 3.48Å; K113-Y116 VanDerWaalsContact O-N 3.08Å; Y116-T118 VanDerWaalsContact C-N 3.3Å; Y116-T118 PolarHBondContact O-N 3.22Å; Y116-F119 PolarHBondContact O-N 3.06Å; Y116-F120 HydrophobicContact CD1-CD2 4.15Å; Y116-F120 AromaticContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CE1-CD2 4.33Å; Y116-F120 AromaticContact CE1-CE2 3.55Å; Y116-F120 HydrophobicContact CE1-CE2 3.55Å; Y116-F120 HydrophobicContact CE1-CZ 4.43Å; Y116-F120 HydrophobicContact CG-CE2 4.49Å; Y116-F120 WeakPolarHBondContact O-CD2 3.31Å; Y116-F120 PolarHBondContact O-N 3.02Å
117	D	64.7	Low	64.4	Low	109 Å²	109	96.7 Å²	96.7	58%	0.583	45%	0.454	S	S	*	.	H	α-helix	trans	-64.1	-35.1	177.6	-71.6	-37.6	0	0	0	112	K113 T121	K113-D117 PolarHBondContact O-N 2.75Å; D117-T121 VanDerWaalsContact O-CB 3.26Å; D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.36Å; D117-T121 PolarHBondContact O-OG1 2.89Å
118	T	74	Confident	67	Low	50 Å²	50	97.2 Å²	97.2	31%	0.307	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-43	175.4	-60	0	0	0	0	111.4	M114 S115 Y116 T121 M122 K145	M114-T118 VanDerWaalsContact O-CB 3.26Å; M114-T118 WeakPolarHBondContact O-CB 3.23Å; M114-T118 PolarHBondContact O-N 3.24Å; M114-T118 PolarHBondContact O-OG1 2.63Å; S115-T118 PolarHBondContact O-N 2.93Å; Y116-T118 VanDerWaalsContact C-N 3.3Å; Y116-T118 PolarHBondContact O-N 3.22Å; T118-T121 PolarHBondContact O-N 3.1Å; T118-M122 HydrophobicContact CG2-CG 4.27Å; T118-M122 WeakPolarHBondContact O-CG 3.22Å; T118-M122 PolarHBondContact O-N 2.79Å; T118-K145 HydrophobicContact CG2-CB 3.91Å; T118-K145 HydrophobicContact CG2-CD 4.38Å; T118-K145 HydrophobicContact CG2-CG 4.13Å
119	F	80.2	Confident	69.3	Low	54 Å²	54	91.3 Å²	91.3	24%	0.237	43%	0.425	C	S	.	.	H	α-helix	trans	-59.7	-52.5	177.3	178.7	-99	0	0	0	112	S115 Y116 T121 M122 K123 N149 H150	S115-F119 PolarHBondContact O-N 3.18Å; Y116-F119 PolarHBondContact O-N 3.06Å; F119-T121 VanDerWaalsContact C-N 3.26Å; F119-T121 PolarHBondContact O-N 3.37Å; F119-M122 PolarHBondContact O-N 2.91Å; F119-K123 HydrophobicContact CE1-CD 4.43Å; F119-K123 VanDerWaalsContact O-CB 3.28Å; F119-K123 WeakPolarHBondContact O-CB 3.35Å; F119-K123 PolarHBondContact O-N 3.42Å; F119-N149 HydrophobicContact CE2-CB 3.92Å; F119-N149 HydrophobicContact CZ-CB 4.19Å; F119-H150 AromaticContact CD2-CD2 3.99Å; F119-H150 AromaticContact CD2-CE1 3.39Å; F119-H150 WeakPolarHBondContact CD2-CE1 3.35Å; F119-H150 AromaticContact CD2-NE2 3.24Å; F119-H150 WeakPolarHBondContact CD2-NE2 3.32Å; F119-H150 AromaticContact CE2-CD2 3.86Å; F119-H150 AromaticContact CE2-CE1 3.88Å; F119-H150 AromaticContact CE2-NE2 3.61Å; F119-H150 AromaticContact CG-NE2 3.95Å; F119-H150 PolarHBondContact O-NE2 2.85Å
120	F	83.9	Confident	71.8	Confident	98 Å²	98	94.6 Å²	94.6	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-29.3	178.7	-75.1	-77.2	0	0	0	112.8	Y116 R124	Y116-F120 HydrophobicContact CD1-CD2 4.15Å; Y116-F120 AromaticContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CE1-CD2 4.33Å; Y116-F120 AromaticContact CE1-CE2 3.55Å; Y116-F120 HydrophobicContact CE1-CE2 3.55Å; Y116-F120 HydrophobicContact CE1-CZ 4.43Å; Y116-F120 HydrophobicContact CG-CE2 4.49Å; Y116-F120 WeakPolarHBondContact O-CD2 3.31Å; Y116-F120 PolarHBondContact O-N 3.02Å; F120-R124 WeakPolarHBondContact O-CB 3.18Å; F120-R124 PolarHBondContact O-N 2.77Å
121	T	86.3	Confident	74	Confident	73 Å²	73	95.5 Å²	95.5	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-68.8	-51.2	174.1	-60.5	0	0	0	0	111.7	D117 T118 F119 R124 L125	D117-T121 VanDerWaalsContact O-CB 3.26Å; D117-T121 WeakPolarHBondContact O-CB 3.43Å; D117-T121 PolarHBondContact O-N 3.36Å; D117-T121 PolarHBondContact O-OG1 2.89Å; T118-T121 PolarHBondContact O-N 3.1Å; F119-T121 VanDerWaalsContact C-N 3.26Å; F119-T121 PolarHBondContact O-N 3.37Å; T121-R124 PolarHBondContact O-N 3.16Å; T121-L125 HydrophobicContact CG2-CD1 4.09Å; T121-L125 WeakPolarHBondContact O-CG 3.25Å; T121-L125 PolarHBondContact O-N 2.64Å
122	M	86.2	Confident	76.1	Confident	11 Å²	11	90.1 Å²	90.1	5%	0.054	41%	0.411	C	S	.	.	H	α-helix	trans	-64.5	-43.7	179.7	-69.8	-53.4	-62.7	0	0	111.6	T118 F119 R124 L125 I126 W138 K145 I146 H150	T118-M122 HydrophobicContact CG2-CG 4.27Å; T118-M122 WeakPolarHBondContact O-CG 3.22Å; T118-M122 PolarHBondContact O-N 2.79Å; F119-M122 PolarHBondContact O-N 2.91Å; M122-R124 VanDerWaalsContact C-N 3.34Å; M122-R124 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 2.74Å; M122-L125 HydrophobicContact SD-CD1 4.05Å; M122-I126 WeakPolarHBondContact O-CG1 3.4Å; M122-I126 PolarHBondContact O-N 2.88Å; M122-W138 HydrophobicContact CE-CB 4.3Å; M122-W138 WeakPolarHBondContact CE-O 3.26Å; M122-K145 HydrophobicContact CG-CB 4.38Å; M122-I146 HydrophobicContact CE-CD1 3.76Å; M122-H150 WeakPolarHBondContact CB-NE2 3.32Å
123	K	87.8	Confident	78.3	Confident	64 Å²	64	87 Å²	87	28%	0.278	40%	0.399	S	S	.	.	H	α-helix	trans	-54.5	-48.3	171	177.8	174.5	172.9	177.1	0	111.7	F119 L125 I126 E127 V153	F119-K123 HydrophobicContact CE1-CD 4.43Å; F119-K123 VanDerWaalsContact O-CB 3.28Å; F119-K123 WeakPolarHBondContact O-CB 3.35Å; F119-K123 PolarHBondContact O-N 3.42Å; K123-L125 PolarHBondContact O-N 3.23Å; K123-I126 PolarHBondContact O-N 2.65Å; K123-E127 WeakPolarHBondContact CE-OE1 3.39Å; K123-E127 WeakPolarHBondContact CE-OE2 3.48Å; K123-E127 HydrophobicContact CG-CG 4.36Å; K123-E127 IonicContact NZ-OE1 3.45Å; K123-E127 PolarHBondContact NZ-OE1 2.72Å; K123-E127 WeakPolarHBondContact O-CB 3.44Å; K123-E127 WeakPolarHBondContact O-CG 3.49Å; K123-E127 PolarHBondContact O-N 2.96Å; K123-V153 HydrophobicContact CG-CG1 4.47Å
124	R	87.2	Confident	80.7	Confident	162 Å²	162	84.7 Å²	84.7	61%	0.611	39%	0.39	S	S	*	.	H	α-helix	trans	-65.4	-34.8	179.7	179.3	-178.4	-69.4	173.3	-0.5	113	F120 T121 M122 R128	F120-R124 WeakPolarHBondContact O-CB 3.18Å; F120-R124 PolarHBondContact O-N 2.77Å; T121-R124 PolarHBondContact O-N 3.16Å; M122-R124 VanDerWaalsContact C-N 3.34Å; M122-R124 PolarHBondContact O-N 2.94Å; R124-R128 HydrophobicContact CG-CG 4.28Å; R124-R128 VanDerWaalsContact O-CB 3.25Å; R124-R128 WeakPolarHBondContact O-CB 3.49Å; R124-R128 WeakPolarHBondContact O-CG 3.31Å; R124-R128 PolarHBondContact O-N 3.18Å
125	L	89.1	Confident	83	Confident	54 Å²	54	79.1 Å²	79.1	28%	0.283	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-46.2	175.6	-73.1	166.9	0	0	0	111	T121 M122 K123 R128 S129 W138	T121-L125 HydrophobicContact CG2-CD1 4.09Å; T121-L125 WeakPolarHBondContact O-CG 3.25Å; T121-L125 PolarHBondContact O-N 2.64Å; M122-L125 PolarHBondContact O-N 2.74Å; M122-L125 HydrophobicContact SD-CD1 4.05Å; K123-L125 PolarHBondContact O-N 3.23Å; L125-R128 PolarHBondContact O-N 2.75Å; L125-S129 PolarHBondContact O-N 3.03Å; L125-S129 VanDerWaalsContact O-N 3.08Å; L125-S129 PolarHBondContact O-OG 3.26Å; L125-W138 HydrophobicContact CB-CD2 4.16Å; L125-W138 HydrophobicContact CB-CG 4.3Å; L125-W138 HydrophobicContact CD1-CD2 4.33Å; L125-W138 HydrophobicContact CD1-CE3 4.03Å; L125-W138 HydrophobicContact CD1-CH2 4.33Å; L125-W138 HydrophobicContact CD1-CZ3 4.03Å; L125-W138 HydrophobicContact CD2-CH2 4.19Å; L125-W138 HydrophobicContact CD2-CZ2 3.92Å
126	I	90	Very high	84.7	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-57.8	-56	172.6	-67.8	162.8	0	0	0	110.1	M122 K123 R128 S129 V135 W138 V139 H150 V153 A154 K157	M122-I126 WeakPolarHBondContact O-CG1 3.4Å; M122-I126 PolarHBondContact O-N 2.88Å; K123-I126 PolarHBondContact O-N 2.65Å; I126-R128 VanDerWaalsContact C-N 3.26Å; I126-R128 PolarHBondContact O-N 3.15Å; I126-S129 WeakPolarHBondContact O-CB 3.3Å; I126-S129 PolarHBondContact O-N 3.2Å; I126-S129 VanDerWaalsContact O-N 3.08Å; I126-S129 PolarHBondContact O-OG 2.82Å; I126-V135 HydrophobicContact CG2-CG1 3.97Å; I126-W138 HydrophobicContact CG1-CB 4.48Å; I126-V139 HydrophobicContact CD1-CG2 4.12Å; I126-H150 HydrophobicContact CD1-CB 4.11Å; I126-V153 HydrophobicContact CG2-CG1 3.93Å; I126-A154 HydrophobicContact CD1-CB 4.34Å; I126-A154 HydrophobicContact CG2-CB 4.41Å; I126-K157 HydrophobicContact CG2-CB 3.88Å; I126-K157 HydrophobicContact CG2-CG 4.09Å; I126-K157 WeakPolarHBondContact O-CE 3.47Å; I126-K157 WeakPolarHBondContact O-CG 3.48Å
127	E	89.7	Confident	86.2	Confident	94 Å²	94	75.1 Å²	75.1	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-33.1	-177.3	-73.7	175.9	149.7	0	0	113.5	K123 V153 K157	K123-E127 WeakPolarHBondContact CE-OE1 3.39Å; K123-E127 WeakPolarHBondContact CE-OE2 3.48Å; K123-E127 HydrophobicContact CG-CG 4.36Å; K123-E127 IonicContact NZ-OE1 3.45Å; K123-E127 PolarHBondContact NZ-OE1 2.72Å; K123-E127 WeakPolarHBondContact O-CB 3.44Å; K123-E127 WeakPolarHBondContact O-CG 3.49Å; K123-E127 PolarHBondContact O-N 2.96Å; E127-V153 HydrophobicContact CG-CG1 4.08Å; E127-K157 WeakPolarHBondContact O-CE 3.23Å; E127-K157 PolarHBondContact O-NZ 2.81Å
128	R	90.7	Very high	87.3	Confident	194 Å²	194	74.4 Å²	74.4	73%	0.732	32%	0.324	S	S	*	.	H	α-helix	trans	-87.6	-8.9	178.9	-68.1	174.8	72.4	96.5	-3.9	114.9	R124 L125 I126	R124-R128 HydrophobicContact CG-CG 4.28Å; R124-R128 VanDerWaalsContact O-CB 3.25Å; R124-R128 WeakPolarHBondContact O-CB 3.49Å; R124-R128 WeakPolarHBondContact O-CG 3.31Å; R124-R128 PolarHBondContact O-N 3.18Å; L125-R128 PolarHBondContact O-N 2.75Å; I126-R128 VanDerWaalsContact C-N 3.26Å; I126-R128 PolarHBondContact O-N 3.15Å
129	S	91.2	Very high	87.8	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.042	31%	0.311	C	S	.	.			trans	-60.1	148.3	176.8	-63.1	0	0	0	0	111.1	L125 I126 V135 K157	L125-S129 PolarHBondContact O-N 3.03Å; L125-S129 VanDerWaalsContact O-N 3.08Å; L125-S129 PolarHBondContact O-OG 3.26Å; I126-S129 WeakPolarHBondContact O-CB 3.3Å; I126-S129 PolarHBondContact O-N 3.2Å; I126-S129 VanDerWaalsContact O-N 3.08Å; I126-S129 PolarHBondContact O-OG 2.82Å; S129-V135 VanDerWaalsContact CB-CG2 3.5Å; S129-K157 WeakPolarHBondContact O-CE 3.38Å; S129-K157 PolarHBondContact O-NZ 2.9Å
130	R	88.8	Confident	88	Confident	204 Å²	204	71.6 Å²	71.6	77%	0.77	31%	0.311	S	S	*	.	S	Bend	trans	-111.8	-23.5	-177.2	-66.1	-177.8	175.6	-172.3	-2.6	113	E134 L161	R130-E134 PolarHBondContact N-OE2 3.49Å; R130-L161 WeakPolarHBondContact O-CD2 3.31Å
131	Q	87.8	Confident	87.9	Confident	95 Å²	95	72.2 Å²	72.2	44%	0.444	32%	0.315	S	S	.	.	S	Bend	trans	-120.2	148.7	173.7	-60.2	-59.9	-9.3	0	0	112.2	D133 E134 V135 L161	Q131-D133 PolarHBondContact O-N 2.72Å; Q131-E134 HydrophobicContact CB-CG 4.24Å; Q131-E134 PolarHBondContact N-OE2 3.37Å; Q131-E134 WeakPolarHBondContact O-CB 3.47Å; Q131-E134 PolarHBondContact O-N 3.42Å; Q131-V135 PolarHBondContact O-N 2.95Å; Q131-L161 VanDerWaalsContact C-CD1 3.42Å
132	P	88.3	Confident	87.2	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-55.7	-36.7	175.5	-29.1	39.3	0	0	0	113.3	E134 V135 L136 I158 L161 L162 I187	P132-E134 VanDerWaalsContact C-N 3.31Å; P132-E134 PolarHBondContact O-N 2.93Å; P132-V135 WeakPolarHBondContact O-CB 3.45Å; P132-V135 PolarHBondContact O-N 2.99Å; P132-V135 VanDerWaalsContact O-N 3.12Å; P132-L136 PolarHBondContact O-N 2.82Å; P132-I158 HydrophobicContact CB-CG2 4.39Å; P132-L161 HydrophobicContact CG-CB 3.99Å; P132-L161 HydrophobicContact CG-CD1 4.5Å; P132-L162 HydrophobicContact CG-CD2 4.08Å; P132-L162 HydrophobicContact CG-CG 4.23Å; P132-I187 HydrophobicContact CB-CD1 4.29Å; P132-I187 HydrophobicContact CB-CG2 3.78Å; P132-I187 HydrophobicContact CG-CD1 4.08Å; P132-I187 HydrophobicContact CG-CG2 4.49Å
133	D	88.2	Confident	86.7	Confident	70 Å²	70	75 Å²	75	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-33.5	-179.9	-37.4	-80.2	0	0	0	112.2	Q131 R137 Q190	Q131-D133 PolarHBondContact O-N 2.72Å; D133-R137 WeakPolarHBondContact O-CB 3.41Å; D133-R137 PolarHBondContact O-N 2.99Å; D133-Q190 PolarHBondContact OD1-NE2 3.23Å
134	E	89.1	Confident	86.2	Confident	83 Å²	83	77.1 Å²	77.1	39%	0.388	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-44.1	173.3	-64.4	175.8	147.5	0	0	110.4	R130 Q131 P132 R137 W138	R130-E134 PolarHBondContact N-OE2 3.49Å; Q131-E134 HydrophobicContact CB-CG 4.24Å; Q131-E134 PolarHBondContact N-OE2 3.37Å; Q131-E134 WeakPolarHBondContact O-CB 3.47Å; Q131-E134 PolarHBondContact O-N 3.42Å; P132-E134 VanDerWaalsContact C-N 3.31Å; P132-E134 PolarHBondContact O-N 2.93Å; E134-R137 PolarHBondContact O-N 3.17Å; E134-W138 PolarHBondContact O-N 3.19Å
135	V	89.4	Confident	85.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-46.6	178.4	-178.9	0	0	0	0	110.8	I126 S129 Q131 P132 W138 V139 A154 K157 I158 L161	I126-V135 HydrophobicContact CG2-CG1 3.97Å; S129-V135 VanDerWaalsContact CB-CG2 3.5Å; Q131-V135 PolarHBondContact O-N 2.95Å; P132-V135 WeakPolarHBondContact O-CB 3.45Å; P132-V135 PolarHBondContact O-N 2.99Å; P132-V135 VanDerWaalsContact O-N 3.12Å; V135-W138 PolarHBondContact O-N 3.35Å; V135-V139 WeakPolarHBondContact O-CG2 3.33Å; V135-V139 PolarHBondContact O-N 3Å; V135-A154 HydrophobicContact CG1-CB 3.84Å; V135-K157 HydrophobicContact CG2-CB 4.44Å; V135-K157 HydrophobicContact CG2-CG 3.64Å; V135-I158 HydrophobicContact CB-CD1 4.37Å; V135-I158 HydrophobicContact CB-CG1 3.9Å; V135-I158 HydrophobicContact CG1-CD1 3.96Å; V135-I158 HydrophobicContact CG1-CG1 3.77Å; V135-I158 HydrophobicContact CG2-CG1 4.47Å; V135-L161 HydrophobicContact CG2-CD1 4.06Å
136	L	89.3	Confident	85.6	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-57.9	-52.6	176.6	-76	177.1	0	0	0	110.8	P132 W138 V139 T140 I158 D192 F193 L196	P132-L136 PolarHBondContact O-N 2.82Å; L136-W138 VanDerWaalsContact C-N 3.31Å; L136-W138 PolarHBondContact O-N 2.89Å; L136-V139 PolarHBondContact O-N 3.31Å; L136-T140 PolarHBondContact O-N 2.88Å; L136-T140 PolarHBondContact O-OG1 2.87Å; L136-I158 HydrophobicContact CD2-CD1 3.74Å; L136-I158 HydrophobicContact CG-CD1 4.01Å; L136-D192 HydrophobicContact CB-CB 4.11Å; L136-D192 HydrophobicContact CD1-CB 4.38Å; L136-F193 HydrophobicContact CD1-CB 4.06Å; L136-F193 HydrophobicContact CD2-CB 4.05Å; L136-F193 HydrophobicContact CD2-CD2 4.03Å; L136-F193 HydrophobicContact CD2-CG 4.49Å; L136-L196 HydrophobicContact CD2-CD2 4Å
137	R	88.2	Confident	85.5	Confident	153 Å²	153	75 Å²	75	58%	0.577	36%	0.362	S	S	*	.	H	α-helix	trans	-57.1	-39.1	178	-178.8	176.8	173.6	175.7	-2.1	113.5	D133 E134 V139 T140 Q141	D133-R137 WeakPolarHBondContact O-CB 3.41Å; D133-R137 PolarHBondContact O-N 2.99Å; E134-R137 PolarHBondContact O-N 3.17Å; R137-V139 PolarHBondContact O-N 3.44Å; R137-T140 WeakPolarHBondContact CA-OG1 3.43Å; R137-Q141 HydrophobicContact CG-CB 4.37Å; R137-Q141 WeakPolarHBondContact O-CB 3.46Å; R137-Q141 PolarHBondContact O-N 3.5Å
138	W	87.5	Confident	85.4	Confident	94 Å²	94	72.8 Å²	72.8	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-31	176	-74.1	124.4	0	0	0	112.7	M122 L125 I126 E134 V135 L136	M122-W138 HydrophobicContact CE-CB 4.3Å; M122-W138 WeakPolarHBondContact CE-O 3.26Å; L125-W138 HydrophobicContact CB-CD2 4.16Å; L125-W138 HydrophobicContact CB-CG 4.3Å; L125-W138 HydrophobicContact CD1-CD2 4.33Å; L125-W138 HydrophobicContact CD1-CE3 4.03Å; L125-W138 HydrophobicContact CD1-CH2 4.33Å; L125-W138 HydrophobicContact CD1-CZ3 4.03Å; L125-W138 HydrophobicContact CD2-CH2 4.19Å; L125-W138 HydrophobicContact CD2-CZ2 3.92Å; I126-W138 HydrophobicContact CG1-CB 4.48Å; E134-W138 PolarHBondContact O-N 3.19Å; V135-W138 PolarHBondContact O-N 3.35Å; L136-W138 VanDerWaalsContact C-N 3.31Å; L136-W138 PolarHBondContact O-N 2.89Å
139	V	85.6	Confident	85.2	Confident	8 Å²	8	65.5 Å²	65.5	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-88.3	-41.5	-179.7	-177.2	0	0	0	0	112.1	I126 V135 L136 R137 I146 Y151 A154 L196	I126-V139 HydrophobicContact CD1-CG2 4.12Å; V135-V139 WeakPolarHBondContact O-CG2 3.33Å; V135-V139 PolarHBondContact O-N 3Å; L136-V139 PolarHBondContact O-N 3.31Å; R137-V139 PolarHBondContact O-N 3.44Å; V139-I146 HydrophobicContact CB-CD1 4.47Å; V139-I146 HydrophobicContact CG1-CD1 4.38Å; V139-I146 HydrophobicContact CG1-CG1 4.26Å; V139-I146 HydrophobicContact CG1-CG2 4.29Å; V139-I146 HydrophobicContact CG2-CD1 4.32Å; V139-Y151 HydrophobicContact CG1-CD1 4.13Å; V139-Y151 HydrophobicContact CG1-CE1 3.99Å; V139-A154 HydrophobicContact CG2-CB 3.82Å; V139-L196 HydrophobicContact CG1-CD1 4.02Å
140	T	84	Confident	85.2	Confident	36 Å²	36	65.3 Å²	65.3	22%	0.221	33%	0.325	C	S	.	.	H	α-helix	trans	-75.7	-35.8	-178.9	57.7	0	0	0	0	113.4	L136 R137 N142 P143 D192 T195	L136-T140 PolarHBondContact O-N 2.88Å; L136-T140 PolarHBondContact O-OG1 2.87Å; R137-T140 WeakPolarHBondContact CA-OG1 3.43Å; T140-N142 PolarHBondContact O-N 2.8Å; T140-P143 WeakPolarHBondContact O-CD 3.48Å; T140-D192 WeakPolarHBondContact CB-OD2 3.44Å; T140-D192 HydrophobicContact CG2-CB 3.77Å; T140-D192 WeakPolarHBondContact CG2-OD2 3.17Å; T140-D192 PolarHBondContact OG1-OD2 2.85Å; T140-T195 HydrophobicContact CG2-CG2 4.16Å
141	Q	81.8	Confident	85.3	Confident	112 Å²	112	56.2 Å²	56.2	52%	0.523	29%	0.291	S	S	.	.	S	Bend	trans	-77.6	-16.9	-171.8	-166.7	164	29.8	0	0	114.1	R137	R137-Q141 HydrophobicContact CG-CB 4.37Å; R137-Q141 WeakPolarHBondContact O-CB 3.46Å; R137-Q141 PolarHBondContact O-N 3.5Å
142	N	72.2	Confident	85.5	Confident	52 Å²	52	51.8 Å²	51.8	28%	0.278	27%	0.27	S	S	.	.			trans	-140.9	56.5	-175.7	-78.1	-104.1	0	0	0	113.2	T140 A144 K145	T140-N142 PolarHBondContact O-N 2.8Å; N142-A144 VanDerWaalsContact C-N 3.25Å; N142-A144 PolarHBondContact O-N 2.9Å; N142-A144 VanDerWaalsContact O-N 3.12Å; N142-K145 HydrophobicContact CB-CD 4.28Å; N142-K145 PolarHBondContact O-N 2.85Å; N142-K145 PolarHBondContact OD1-NZ 3.47Å
143	P	76.1	Confident	85.7	Confident	91 Å²	91	52.9 Å²	52.9	59%	0.591	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-57.7	-34.5	-172.4	23	-34.2	0	0	0	113.5	T140 K145 I146	T140-P143 WeakPolarHBondContact O-CD 3.48Å; P143-K145 PolarHBondContact O-N 2.91Å; P143-I146 PolarHBondContact O-N 2.94Å
144	A	76.1	Confident	85.9	Confident	108 Å²	108	49.6 Å²	49.6	89%	0.893	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.5	-5.6	176.8	0	0	0	0	0	115.3	N142	N142-A144 VanDerWaalsContact C-N 3.25Å; N142-A144 PolarHBondContact O-N 2.9Å; N142-A144 VanDerWaalsContact O-N 3.12Å
145	K	79.7	Confident	86	Confident	105 Å²	105	45.7 Å²	45.7	46%	0.457	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-110	-2.9	173.4	-63.3	175.8	-172.8	153.5	0	112.8	T118 M122 N142 P143 S147	T118-K145 HydrophobicContact CG2-CB 3.91Å; T118-K145 HydrophobicContact CG2-CD 4.38Å; T118-K145 HydrophobicContact CG2-CG 4.13Å; M122-K145 HydrophobicContact CG-CB 4.38Å; N142-K145 HydrophobicContact CB-CD 4.28Å; N142-K145 PolarHBondContact O-N 2.85Å; N142-K145 PolarHBondContact OD1-NZ 3.47Å; P143-K145 PolarHBondContact O-N 2.91Å; K145-S147 PolarHBondContact O-N 2.86Å
146	I	85.1	Confident	86.2	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.082	25%	0.254	C	S	.	.			trans	-92.9	99.6	-177.5	-61.4	-62.8	0	0	0	109.8	M122 V139 P143 H150 Y151	M122-I146 HydrophobicContact CE-CD1 3.76Å; V139-I146 HydrophobicContact CB-CD1 4.47Å; V139-I146 HydrophobicContact CG1-CD1 4.38Å; V139-I146 HydrophobicContact CG1-CG1 4.26Å; V139-I146 HydrophobicContact CG1-CG2 4.29Å; V139-I146 HydrophobicContact CG2-CD1 4.32Å; P143-I146 PolarHBondContact O-N 2.94Å; I146-H150 HydrophobicContact CG2-CB 4.25Å; I146-Y151 HydrophobicContact CG2-CD1 3.99Å; I146-Y151 HydrophobicContact CG2-CE1 3.48Å; I146-Y151 VanDerWaalsContact CG2-CE1 3.48Å
147	S	87.1	Confident	86.3	Confident	51 Å²	51	49.8 Å²	49.8	36%	0.357	26%	0.26	S	S	.	.			trans	-64.1	148.1	157.8	175.5	0	0	0	0	110.9	K145 N149 H150	K145-S147 PolarHBondContact O-N 2.86Å; S147-N149 PolarHBondContact O-N 3.12Å; S147-N149 VanDerWaalsContact O-N 3.12Å; S147-H150 PolarHBondContact N-CE1 2.9Å; S147-H150 PolarHBondContact N-ND1 2.78Å; S147-H150 WeakPolarHBondContact O-CB 3.37Å; S147-H150 PolarHBondContact O-N 2.63Å; S147-H150 PolarHBondContact O-ND1 2.82Å
148	H	86.7	Confident	86.4	Confident	46 Å²	46	42.5 Å²	42.5	21%	0.213	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-51.5	-36.6	179.3	-51.5	146.8	0	0	0	112.9	H150 Y151 P152 K206 F207	H148-H150 PolarHBondContact O-N 2.94Å; H148-Y151 HydrophobicContact CB-CD2 4.34Å; H148-Y151 HydrophobicContact CB-CE2 4.49Å; H148-Y151 WeakPolarHBondContact O-CB 3.27Å; H148-Y151 WeakPolarHBondContact O-CD2 3.08Å; H148-Y151 PolarHBondContact O-N 3.44Å; H148-P152 VanDerWaalsContact O-CD 3.28Å; H148-P152 WeakPolarHBondContact O-CD 3.13Å; H148-K206 VanDerWaalsContact CE1-CB 3.46Å; H148-K206 WeakPolarHBondContact CE1-CB 3.33Å; H148-K206 PolarHBondContact CE1-O 2.84Å; H148-K206 PolarHBondContact ND1-O 3.41Å; H148-K206 VanDerWaalsContact ND1-O 3.09Å; H148-F207 HydrophobicContact CB-CD1 3.54Å; H148-F207 HydrophobicContact CB-CE1 3.73Å; H148-F207 HydrophobicContact CB-CG 4.12Å; H148-F207 HydrophobicContact CB-CZ 4.44Å; H148-F207 AromaticContact CD2-CD1 3.95Å; H148-F207 AromaticContact CD2-CE1 3.77Å; H148-F207 AromaticContact CG-CD1 3.45Å; H148-F207 VanDerWaalsContact CG-CD1 3.45Å; H148-F207 AromaticContact CG-CE1 3.67Å; H148-F207 AromaticContact ND1-CD1 3.75Å
149	N	87.1	Confident	86.4	Confident	42 Å²	42	38.2 Å²	38.2	23%	0.225	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-67.2	-6.4	-178.2	-56.2	53	0	0	0	113.5	F119 S147 D208 S211	F119-N149 HydrophobicContact CE2-CB 3.92Å; F119-N149 HydrophobicContact CZ-CB 4.19Å; S147-N149 PolarHBondContact O-N 3.12Å; S147-N149 VanDerWaalsContact O-N 3.12Å; N149-D208 PolarHBondContact ND2-OD2 3.41Å; N149-S211 WeakPolarHBondContact CA-OG 3.37Å; N149-S211 PolarHBondContact ND2-OG 3.49Å; N149-S211 PolarHBondContact OD1-OG 2.84Å
150	H	90.9	Very high	86.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-84	-31.6	168.5	-56.7	110.1	0	0	0	113.6	F119 M122 I126 I146 S147 H148 V153 A154	F119-H150 AromaticContact CD2-CD2 3.99Å; F119-H150 AromaticContact CD2-CE1 3.39Å; F119-H150 WeakPolarHBondContact CD2-CE1 3.35Å; F119-H150 AromaticContact CD2-NE2 3.24Å; F119-H150 WeakPolarHBondContact CD2-NE2 3.32Å; F119-H150 AromaticContact CE2-CD2 3.86Å; F119-H150 AromaticContact CE2-CE1 3.88Å; F119-H150 AromaticContact CE2-NE2 3.61Å; F119-H150 AromaticContact CG-NE2 3.95Å; F119-H150 PolarHBondContact O-NE2 2.85Å; M122-H150 WeakPolarHBondContact CB-NE2 3.32Å; I126-H150 HydrophobicContact CD1-CB 4.11Å; I146-H150 HydrophobicContact CG2-CB 4.25Å; S147-H150 PolarHBondContact N-CE1 2.9Å; S147-H150 PolarHBondContact N-ND1 2.78Å; S147-H150 WeakPolarHBondContact O-CB 3.37Å; S147-H150 PolarHBondContact O-N 2.63Å; S147-H150 PolarHBondContact O-ND1 2.82Å; H148-H150 PolarHBondContact O-N 2.94Å; H150-V153 CarbonylContact O-C 3.56Å; H150-V153 WeakPolarHBondContact O-CA 3.33Å; H150-V153 WeakPolarHBondContact O-CB 3.38Å; H150-V153 PolarHBondContact O-N 2.96Å; H150-A154 PolarHBondContact O-N 2.76Å
151	Y	91.8	Very high	86.7	Confident	13 Å²	13	42.5 Å²	42.5	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-53.2	-46	-179.8	-60.9	-48.1	0	0	0	113.5	V139 I146 H148 V153 A154 L155 L196 A199 I200 F207	V139-Y151 HydrophobicContact CG1-CD1 4.13Å; V139-Y151 HydrophobicContact CG1-CE1 3.99Å; I146-Y151 HydrophobicContact CG2-CD1 3.99Å; I146-Y151 HydrophobicContact CG2-CE1 3.48Å; I146-Y151 VanDerWaalsContact CG2-CE1 3.48Å; H148-Y151 HydrophobicContact CB-CD2 4.34Å; H148-Y151 HydrophobicContact CB-CE2 4.49Å; H148-Y151 WeakPolarHBondContact O-CB 3.27Å; H148-Y151 WeakPolarHBondContact O-CD2 3.08Å; H148-Y151 PolarHBondContact O-N 3.44Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3Å; Y151-A154 PolarHBondContact O-N 2.74Å; Y151-L155 WeakPolarHBondContact O-CG 3.21Å; Y151-L155 PolarHBondContact O-N 3.01Å; Y151-L196 HydrophobicContact CD1-CD1 3.47Å; Y151-L196 VanDerWaalsContact CD1-CD1 3.47Å; Y151-L196 HydrophobicContact CE1-CD1 4.02Å; Y151-L196 HydrophobicContact CG-CD1 4.33Å; Y151-A199 HydrophobicContact CE1-CB 4.32Å; Y151-I200 HydrophobicContact CD1-CG1 4.28Å; Y151-I200 HydrophobicContact CD2-CG1 4.08Å; Y151-I200 HydrophobicContact CG-CD1 4.44Å; Y151-I200 HydrophobicContact CG-CG1 3.89Å; Y151-F207 AromaticContact CD2-CE1 3.87Å; Y151-F207 HydrophobicContact CD2-CE1 3.87Å; Y151-F207 HydrophobicContact CD2-CE2 4.21Å; Y151-F207 AromaticContact CD2-CZ 3.39Å; Y151-F207 HydrophobicContact CD2-CZ 3.39Å; Y151-F207 AromaticContact CE2-CE1 3.87Å; Y151-F207 HydrophobicContact CE2-CE1 3.87Å; Y151-F207 AromaticContact CE2-CZ 3.76Å; Y151-F207 HydrophobicContact CE2-CZ 3.76Å; Y151-F207 HydrophobicContact CG-CZ 4.46Å
152	P	91.4	Very high	86.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-35.1	176	24.5	-32.1	0	0	0	112.4	H148 Q156 N214 C215	H148-P152 VanDerWaalsContact O-CD 3.28Å; H148-P152 WeakPolarHBondContact O-CD 3.13Å; P152-Q156 VanDerWaalsContact O-CB 3.27Å; P152-Q156 WeakPolarHBondContact O-CB 3.46Å; P152-Q156 WeakPolarHBondContact O-CG 3.34Å; P152-Q156 PolarHBondContact O-N 3.06Å; P152-N214 HydrophobicContact CB-CB 3.54Å; P152-N214 HydrophobicContact CG-CB 4.18Å; P152-C215 VanDerWaalsContact CD-SG 3.54Å
153	V	91.6	Very high	87.2	Confident	27 Å²	27	41 Å²	41	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-41.3	177.6	-174.8	0	0	0	0	110.6	K123 I126 E127 H150 Y151 K157	K123-V153 HydrophobicContact CG-CG1 4.47Å; I126-V153 HydrophobicContact CG2-CG1 3.93Å; E127-V153 HydrophobicContact CG-CG1 4.08Å; H150-V153 CarbonylContact O-C 3.56Å; H150-V153 WeakPolarHBondContact O-CA 3.33Å; H150-V153 WeakPolarHBondContact O-CB 3.38Å; H150-V153 PolarHBondContact O-N 2.96Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3Å; V153-K157 WeakPolarHBondContact O-CB 3.4Å; V153-K157 PolarHBondContact O-N 3.32Å
154	A	92.4	Very high	86.9	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-50.2	175.8	0	0	0	0	0	111.6	I126 V135 V139 H150 Y151 Q156 K157 I158	I126-A154 HydrophobicContact CD1-CB 4.34Å; I126-A154 HydrophobicContact CG2-CB 4.41Å; V135-A154 HydrophobicContact CG1-CB 3.84Å; V139-A154 HydrophobicContact CG2-CB 3.82Å; H150-A154 PolarHBondContact O-N 2.76Å; Y151-A154 PolarHBondContact O-N 2.74Å; A154-Q156 PolarHBondContact O-N 3.35Å; A154-K157 PolarHBondContact O-N 2.71Å; A154-I158 WeakPolarHBondContact O-CB 3.49Å; A154-I158 VanDerWaalsContact O-CG1 3.3Å; A154-I158 WeakPolarHBondContact O-CG1 3.3Å; A154-I158 PolarHBondContact O-N 2.94Å
155	L	92.8	Very high	86.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-43.8	177.7	-68.3	173.1	0	0	0	112.2	Y151 K157 I158 G159 F193 L196 I200 A218 V219 L222	Y151-L155 WeakPolarHBondContact O-CG 3.21Å; Y151-L155 PolarHBondContact O-N 3.01Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-K157 PolarHBondContact O-N 3.46Å; L155-I158 PolarHBondContact O-N 3.45Å; L155-G159 PolarHBondContact O-N 3.28Å; L155-F193 HydrophobicContact CD2-CE2 4.1Å; L155-F193 HydrophobicContact CD2-CZ 4.21Å; L155-L196 HydrophobicContact CD2-CD2 3.8Å; L155-L196 HydrophobicContact CD2-CG 4.38Å; L155-L196 HydrophobicContact CG-CD2 4.37Å; L155-I200 HydrophobicContact CD1-CD1 3.71Å; L155-I200 HydrophobicContact CG-CD1 4.41Å; L155-A218 HydrophobicContact CB-CB 3.49Å; L155-A218 VanDerWaalsContact CB-CB 3.49Å; L155-A218 HydrophobicContact CD1-CB 4.16Å; L155-V219 HydrophobicContact CD1-CG1 3.85Å; L155-L222 HydrophobicContact CB-CD1 3.92Å; L155-L222 HydrophobicContact CD2-CD1 3.65Å; L155-L222 HydrophobicContact CG-CD1 4.34Å
156	Q	92.1	Very high	84.8	Confident	60 Å²	60	38.8 Å²	38.8	28%	0.28	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-40.6	175.1	-73	175	17.1	0	0	111.6	P152 A154 G159 Q160 N214 A218	P152-Q156 VanDerWaalsContact O-CB 3.27Å; P152-Q156 WeakPolarHBondContact O-CB 3.46Å; P152-Q156 WeakPolarHBondContact O-CG 3.34Å; P152-Q156 PolarHBondContact O-N 3.06Å; A154-Q156 PolarHBondContact O-N 3.35Å; Q156-G159 PolarHBondContact O-N 2.95Å; Q156-Q160 VanDerWaalsContact O-CG 3.28Å; Q156-Q160 WeakPolarHBondContact O-CG 3.46Å; Q156-Q160 PolarHBondContact O-N 3.33Å; Q156-N214 PolarHBondContact NE2-OD1 3.09Å; Q156-A218 HydrophobicContact CG-CB 3.83Å
157	K	91.6	Very high	82.6	Confident	27 Å²	27	43 Å²	43	12%	0.117	25%	0.25	C	C	.	.	H	α-helix	trans	-67.6	-44.2	178.2	179.5	67.9	-177.2	-175.3	0	112.2	I126 E127 S129 V135 V153 A154 L155 G159 Q160 L161	I126-K157 HydrophobicContact CG2-CB 3.88Å; I126-K157 HydrophobicContact CG2-CG 4.09Å; I126-K157 WeakPolarHBondContact O-CE 3.47Å; I126-K157 WeakPolarHBondContact O-CG 3.48Å; E127-K157 WeakPolarHBondContact O-CE 3.23Å; E127-K157 PolarHBondContact O-NZ 2.81Å; S129-K157 WeakPolarHBondContact O-CE 3.38Å; S129-K157 PolarHBondContact O-NZ 2.9Å; V135-K157 HydrophobicContact CG2-CB 4.44Å; V135-K157 HydrophobicContact CG2-CG 3.64Å; V153-K157 WeakPolarHBondContact O-CB 3.4Å; V153-K157 PolarHBondContact O-N 3.32Å; A154-K157 PolarHBondContact O-N 2.71Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-K157 PolarHBondContact O-N 3.46Å; K157-G159 VanDerWaalsContact C-N 3.3Å; K157-G159 PolarHBondContact O-N 2.86Å; K157-Q160 PolarHBondContact O-N 3.18Å; K157-L161 HydrophobicContact CD-CG 4.41Å; K157-L161 HydrophobicContact CG-CD1 4.37Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.24Å
158	I	91	Very high	80.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-48.3	171.9	-71	161.5	0	0	0	109.2	P132 V135 L136 A154 L155 Q160 L161 L162 F193 L196 L222	P132-I158 HydrophobicContact CB-CG2 4.39Å; V135-I158 HydrophobicContact CB-CD1 4.37Å; V135-I158 HydrophobicContact CB-CG1 3.9Å; V135-I158 HydrophobicContact CG1-CD1 3.96Å; V135-I158 HydrophobicContact CG1-CG1 3.77Å; V135-I158 HydrophobicContact CG2-CG1 4.47Å; L136-I158 HydrophobicContact CD2-CD1 3.74Å; L136-I158 HydrophobicContact CG-CD1 4.01Å; A154-I158 WeakPolarHBondContact O-CB 3.49Å; A154-I158 VanDerWaalsContact O-CG1 3.3Å; A154-I158 WeakPolarHBondContact O-CG1 3.3Å; A154-I158 PolarHBondContact O-N 2.94Å; L155-I158 PolarHBondContact O-N 3.45Å; I158-Q160 VanDerWaalsContact C-N 3.32Å; I158-Q160 PolarHBondContact O-N 3.34Å; I158-L161 PolarHBondContact O-N 2.97Å; I158-L162 HydrophobicContact CG2-CD1 3.66Å; I158-L162 HydrophobicContact CG2-CG 4.28Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 VanDerWaalsContact O-CG 3.29Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 2.88Å; I158-F193 HydrophobicContact CD1-CD2 4.49Å; I158-L196 HydrophobicContact CD1-CD2 4.24Å; I158-L222 HydrophobicContact CG2-CD2 4.03Å
159	G	86.9	Confident	78	Confident	5 Å²	5	54.5 Å²	54.5	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-32.7	177.9	0	0	0	0	0	114.4	L155 Q156 K157 Q163 L222	L155-G159 PolarHBondContact O-N 3.28Å; Q156-G159 PolarHBondContact O-N 2.95Å; K157-G159 VanDerWaalsContact C-N 3.3Å; K157-G159 PolarHBondContact O-N 2.86Å; G159-Q163 VanDerWaalsContact O-CG 3.3Å; G159-Q163 WeakPolarHBondContact O-CG 3.45Å; G159-Q163 PolarHBondContact O-N 3.27Å; G159-Q163 PolarHBondContact O-NE2 3.49Å; G159-L222 VanDerWaalsContact CA-CD2 3.49Å
160	Q	88.8	Confident	75.6	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-70.5	-44.8	172.6	-75	168.9	14.5	0	0	112	Q156 K157 I158 Q163 A164	Q156-Q160 VanDerWaalsContact O-CG 3.28Å; Q156-Q160 WeakPolarHBondContact O-CG 3.46Å; Q156-Q160 PolarHBondContact O-N 3.33Å; K157-Q160 PolarHBondContact O-N 3.18Å; I158-Q160 VanDerWaalsContact C-N 3.32Å; I158-Q160 PolarHBondContact O-N 3.34Å; Q160-Q163 CarbonylContact O-C 3.6Å; Q160-Q163 PolarHBondContact O-N 2.94Å; Q160-Q163 VanDerWaalsContact O-N 3.14Å; Q160-A164 VanDerWaalsContact O-CB 3.23Å; Q160-A164 WeakPolarHBondContact O-CB 3.37Å; Q160-A164 PolarHBondContact O-N 3.41Å; Q160-A164 VanDerWaalsContact O-N 3.12Å
161	L	88	Confident	73.3	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-65.4	-44.4	179.7	-68.3	178.8	0	0	0	111.2	R130 Q131 P132 V135 K157 I158 Q163 A164 T165	R130-L161 WeakPolarHBondContact O-CD2 3.31Å; Q131-L161 VanDerWaalsContact C-CD1 3.42Å; P132-L161 HydrophobicContact CG-CB 3.99Å; P132-L161 HydrophobicContact CG-CD1 4.5Å; V135-L161 HydrophobicContact CG2-CD1 4.06Å; K157-L161 HydrophobicContact CD-CG 4.41Å; K157-L161 HydrophobicContact CG-CD1 4.37Å; K157-L161 WeakPolarHBondContact O-CG 3.43Å; K157-L161 PolarHBondContact O-N 3.24Å; I158-L161 PolarHBondContact O-N 2.97Å; L161-Q163 PolarHBondContact O-N 2.82Å; L161-Q163 VanDerWaalsContact O-N 3.09Å; L161-A164 PolarHBondContact O-N 3.48Å; L161-T165 PolarHBondContact O-N 3.47Å; L161-T165 PolarHBondContact O-OG1 2.96Å
162	L	85	Confident	70.7	Confident	20 Å²	20	66.5 Å²	66.5	11%	0.105	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14	172.7	-68.2	172.6	0	0	0	114.2	P132 I158 R184 I187 L222	P132-L162 HydrophobicContact CG-CD2 4.08Å; P132-L162 HydrophobicContact CG-CG 4.23Å; I158-L162 HydrophobicContact CG2-CD1 3.66Å; I158-L162 HydrophobicContact CG2-CG 4.28Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 VanDerWaalsContact O-CG 3.29Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 2.88Å; L162-R184 HydrophobicContact CD1-CG 4.33Å; L162-I187 HydrophobicContact CD2-CB 4.29Å; L162-I187 HydrophobicContact CD2-CD1 3.66Å; L162-I187 HydrophobicContact CD2-CG2 4.25Å; L162-L222 HydrophobicContact CD1-CD2 4.14Å
163	Q	79	Confident	68.1	Low	113 Å²	113	74 Å²	74	53%	0.528	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-3.8	172.7	-75	171.6	68.1	0	0	113.2	G159 Q160 L161	G159-Q163 VanDerWaalsContact O-CG 3.3Å; G159-Q163 WeakPolarHBondContact O-CG 3.45Å; G159-Q163 PolarHBondContact O-N 3.27Å; G159-Q163 PolarHBondContact O-NE2 3.49Å; Q160-Q163 CarbonylContact O-C 3.6Å; Q160-Q163 PolarHBondContact O-N 2.94Å; Q160-Q163 VanDerWaalsContact O-N 3.14Å; L161-Q163 PolarHBondContact O-N 2.82Å; L161-Q163 VanDerWaalsContact O-N 3.09Å
164	A	70.9	Confident	65.6	Low	69 Å²	69	76.7 Å²	76.7	57%	0.57	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	5.5	-171.1	0	0	0	0	0	113.8	Q160 L161 P166	Q160-A164 VanDerWaalsContact O-CB 3.23Å; Q160-A164 WeakPolarHBondContact O-CB 3.37Å; Q160-A164 PolarHBondContact O-N 3.41Å; Q160-A164 VanDerWaalsContact O-N 3.12Å; L161-A164 PolarHBondContact O-N 3.48Å; A164-P166 WeakPolarHBondContact O-CD 3.31Å
165	T	61.3	Low	63.2	Low	80 Å²	80	79.8 Å²	79.8	49%	0.491	50%	0.497	S	S	.	.			trans	-94.4	97.3	174.9	-55.1	0	0	0	0	110.5	L161	L161-T165 PolarHBondContact O-N 3.47Å; L161-T165 PolarHBondContact O-OG1 2.96Å
166	P	48.5	Very low	60.8	Low	109 Å²	109	86.1 Å²	86.1	71%	0.708	53%	0.531	S	S	*	.			trans	-73	134.2	166.5	30.9	-34.4	0	0	0	110.2	A164 P168	A164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-P168 WeakPolarHBondContact O-CD 3.5Å
167	S	39.8	Very low	58.5	Low	105 Å²	105	86 Å²	86	73%	0.734	55%	0.546	S	S	*	.			trans	-66.1	130.1	174.2	-179.6	0	0	0	0	111.2
168	P	38.8	Very low	56.3	Low	110 Å²	110	92.5 Å²	92.5	71%	0.714	58%	0.577	S	S	*	*			trans	-101.6	84.2	178.9	37	-31.3	0	0	0	112.8	P166	P166-P168 WeakPolarHBondContact O-CD 3.5Å
169	R	38.3	Very low	54.1	Low	227 Å²	227	95.3 Å²	95.3	86%	0.857	60%	0.6	S	S	*	*	S	Bend	trans	168.9	141	133.1	-95.4	153.6	-175.4	167.4	1.3	116.8
170	V	36.4	Very low	52.6	Low	135 Å²	135	98.5 Å²	98.5	82%	0.818	62%	0.622	S	S	*	*			trans	67.4	133.7	153.6	177.7	0	0	0	0	116.6
171	A	42.3	Very low	51.3	Low	104 Å²	104	97.7 Å²	97.7	86%	0.86	62%	0.618	S	S	*	*			trans	-86.7	129.7	177	0	0	0	0	0	111.5
172	G	37.7	Very low	50.1	Low	70 Å²	70	99.3 Å²	99.3	72%	0.722	63%	0.634	S	S	*	*			trans	170.8	114.2	172.2	0	0	0	0	0	111.8
173	D	36.9	Very low	49.2	Very low	158 Å²	158	102.7 Å²	102.7	85%	0.845	65%	0.652	S	S	*	*	S	Bend	trans	42.8	100.4	169.6	-67.6	-11.4	0	0	0	120.1	A175	D173-A175 VanDerWaalsContact C-N 3.27Å; D173-A175 PolarHBondContact O-N 3.43Å
174	G	39.5	Very low	49	Very low	84 Å²	84	100.3 Å²	100.3	87%	0.866	64%	0.639	S	S	*	*	S	Bend		72.5	-17	125.7	0	0	0	0	0	120.3
175	A	41.9	Very low	49.2	Very low	65 Å²	65	103.9 Å²	103.9	54%	0.537	64%	0.637	S	S	.	*			trans	-95.8	-1.8	-170.4	0	0	0	0	0	115	D173 G177 E178	D173-A175 VanDerWaalsContact C-N 3.27Å; D173-A175 PolarHBondContact O-N 3.43Å; A175-G177 PolarHBondContact O-N 3.25Å; A175-E178 PolarHBondContact O-N 2.74Å
176	D	41.2	Very low	50.1	Low	135 Å²	135	106.3 Å²	106.3	72%	0.722	64%	0.643	S	S	*	*	H	α-helix	trans	-57.5	-22.9	-168.7	-66.3	-53.9	0	0	0	115.5
177	G	45.2	Very low	51.6	Low	58 Å²	58	102.2 Å²	102.2	60%	0.598	62%	0.615	S	S	*	*	H	α-helix	trans	-73.1	-38.6	-179.8	0	0	0	0	0	114.2	A175	A175-G177 PolarHBondContact O-N 3.25Å
178	E	44.3	Very low	53.6	Low	162 Å²	162	98.2 Å²	98.2	76%	0.757	59%	0.585	S	S	*	*	H	α-helix	trans	-78.9	-37	-168.5	-61	-166.2	143.3	0	0	112.4	A175 S180 E181 A182	A175-E178 PolarHBondContact O-N 2.74Å; E178-S180 PolarHBondContact O-N 2.97Å; E178-E181 PolarHBondContact O-N 2.68Å; E178-A182 PolarHBondContact O-N 3.18Å
179	A	45.1	Very low	55.7	Low	59 Å²	59	98.7 Å²	98.7	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-43.5	179.3	0	0	0	0	0	112.5	E181 A182 D183	A179-E181 VanDerWaalsContact C-N 3.26Å; A179-E181 PolarHBondContact O-N 3.34Å; A179-A182 WeakPolarHBondContact O-CB 3.24Å; A179-A182 PolarHBondContact O-N 2.86Å; A179-D183 PolarHBondContact O-N 2.76Å; A179-D183 VanDerWaalsContact O-N 3.09Å
180	S	54.9	Low	57.9	Low	72 Å²	72	90.1 Å²	90.1	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-29.4	177.9	-173	0	0	0	0	112.5	E178 R184	E178-S180 PolarHBondContact O-N 2.97Å; S180-R184 WeakPolarHBondContact O-CB 3.37Å; S180-R184 PolarHBondContact O-N 3Å
181	E	61.3	Low	60.3	Low	97 Å²	97	88.3 Å²	88.3	45%	0.453	54%	0.543	S	S	.	.	H	α-helix	trans	-80.1	-29.5	174.9	-146.6	-173.4	134.2	0	0	112.5	E178 A179 R184 R185	E178-E181 PolarHBondContact O-N 2.68Å; A179-E181 VanDerWaalsContact C-N 3.26Å; A179-E181 PolarHBondContact O-N 3.34Å; E181-R184 WeakPolarHBondContact O-CB 3.43Å; E181-R184 PolarHBondContact O-N 2.88Å; E181-R185 VanDerWaalsContact CD-NH2 3.35Å; E181-R185 WeakPolarHBondContact O-CD 3.43Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.73Å; E181-R185 IonicContact OE1-CZ 2.71Å; E181-R185 IonicContact OE1-NE 1.86Å; E181-R185 PolarHBondContact OE1-NE 3.16Å; E181-R185 IonicContact OE1-NH2 2.67Å; E181-R185 PolarHBondContact OE1-NH2 3.21Å; E181-R185 IonicContact OE2-NH2 2.87Å
182	A	62.8	Low	62.5	Low	53 Å²	53	86 Å²	86	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-50.5	172.5	0	0	0	0	0	111.9	E178 A179 R184 R185 Q186	E178-A182 PolarHBondContact O-N 3.18Å; A179-A182 WeakPolarHBondContact O-CB 3.24Å; A179-A182 PolarHBondContact O-N 2.86Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.16Å; A182-R185 PolarHBondContact O-N 2.84Å; A182-R185 VanDerWaalsContact O-N 3.15Å; A182-Q186 PolarHBondContact O-N 2.87Å
183	D	66.3	Low	65	Low	92 Å²	92	82.7 Å²	82.7	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-57.5	-40.6	174.9	-73.2	-2.7	0	0	0	111.4	A179 Q186 I187	A179-D183 PolarHBondContact O-N 2.76Å; A179-D183 VanDerWaalsContact O-N 3.09Å; D183-Q186 PolarHBondContact O-N 3.39Å; D183-I187 WeakPolarHBondContact O-CG1 3.45Å; D183-I187 PolarHBondContact O-N 3.39Å; D183-I187 VanDerWaalsContact O-N 3.16Å
184	R	75.2	Confident	67.6	Low	63 Å²	63	79.2 Å²	79.2	24%	0.238	46%	0.46	C	S	.	.	H	α-helix	trans	-61.1	-47.9	175.9	-172.9	-163.8	-170.6	98.1	-3.8	111.6	L162 S180 E181 A182 I187 L188 L222	L162-R184 HydrophobicContact CD1-CG 4.33Å; S180-R184 WeakPolarHBondContact O-CB 3.37Å; S180-R184 PolarHBondContact O-N 3Å; E181-R184 WeakPolarHBondContact O-CB 3.43Å; E181-R184 PolarHBondContact O-N 2.88Å; A182-R184 VanDerWaalsContact C-N 3.25Å; A182-R184 PolarHBondContact O-N 3.16Å; R184-I187 PolarHBondContact O-N 2.95Å; R184-L188 HydrophobicContact CG-CD1 4.24Å; R184-L188 VanDerWaalsContact O-CG 3.3Å; R184-L188 WeakPolarHBondContact O-CG 3.23Å; R184-L188 PolarHBondContact O-N 3.08Å; R184-L222 PolarHBondContact NE-O 3.27Å; R184-L222 VanDerWaalsContact NH2-C 3.28Å; R184-L222 PolarHBondContact NH2-O 3.31Å
185	R	75.6	Confident	70	Confident	143 Å²	143	78.7 Å²	78.7	54%	0.54	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-48.1	178	-70.1	164.6	-171.8	-176.6	4	110.4	E181 A182 I187 L188 D189	E181-R185 VanDerWaalsContact CD-NH2 3.35Å; E181-R185 WeakPolarHBondContact O-CD 3.43Å; E181-R185 WeakPolarHBondContact O-CG 3.33Å; E181-R185 PolarHBondContact O-N 2.73Å; E181-R185 IonicContact OE1-CZ 2.71Å; E181-R185 IonicContact OE1-NE 1.86Å; E181-R185 PolarHBondContact OE1-NE 3.16Å; E181-R185 IonicContact OE1-NH2 2.67Å; E181-R185 PolarHBondContact OE1-NH2 3.21Å; E181-R185 IonicContact OE2-NH2 2.87Å; A182-R185 PolarHBondContact O-N 2.84Å; A182-R185 VanDerWaalsContact O-N 3.15Å; R185-I187 PolarHBondContact O-N 3Å; R185-I187 VanDerWaalsContact O-N 3.13Å; R185-L188 PolarHBondContact O-N 2.86Å; R185-D189 VanDerWaalsContact O-CG 3.31Å; R185-D189 PolarHBondContact O-N 3.19Å
186	Q	79.8	Confident	72.3	Confident	131 Å²	131	75.7 Å²	75.7	61%	0.612	42%	0.415	S	S	*	.	H	α-helix	trans	-53.3	-37.6	178.1	-170.1	-177.6	23.3	0	0	113.3	A182 D183 Q190	A182-Q186 PolarHBondContact O-N 2.87Å; D183-Q186 PolarHBondContact O-N 3.39Å; Q186-Q190 WeakPolarHBondContact O-CG 3.29Å
187	I	79.3	Confident	74.8	Confident	24 Å²	24	69.8 Å²	69.8	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-77.7	-32.7	179.1	-70.7	167.2	0	0	0	112.5	P132 L162 D183 R184 R185	P132-I187 HydrophobicContact CB-CD1 4.29Å; P132-I187 HydrophobicContact CB-CG2 3.78Å; P132-I187 HydrophobicContact CG-CD1 4.08Å; P132-I187 HydrophobicContact CG-CG2 4.49Å; L162-I187 HydrophobicContact CD2-CB 4.29Å; L162-I187 HydrophobicContact CD2-CD1 3.66Å; L162-I187 HydrophobicContact CD2-CG2 4.25Å; D183-I187 WeakPolarHBondContact O-CG1 3.45Å; D183-I187 PolarHBondContact O-N 3.39Å; D183-I187 VanDerWaalsContact O-N 3.16Å; R184-I187 PolarHBondContact O-N 2.95Å; R185-I187 PolarHBondContact O-N 3Å; R185-I187 VanDerWaalsContact O-N 3.13Å
188	L	82.4	Confident	77	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-74.5	-27.3	174.5	-62.3	172	0	0	0	112.3	R184 R185 Q190 F193 Q194 L224	R184-L188 HydrophobicContact CG-CD1 4.24Å; R184-L188 VanDerWaalsContact O-CG 3.3Å; R184-L188 WeakPolarHBondContact O-CG 3.23Å; R184-L188 PolarHBondContact O-N 3.08Å; R185-L188 PolarHBondContact O-N 2.86Å; L188-Q190 VanDerWaalsContact C-N 3.3Å; L188-F193 HydrophobicContact CD2-CD1 4.33Å; L188-F193 HydrophobicContact CD2-CD2 4.14Å; L188-F193 HydrophobicContact CD2-CE1 3.78Å; L188-F193 HydrophobicContact CD2-CE2 3.58Å; L188-F193 HydrophobicContact CD2-CZ 3.39Å; L188-F193 VanDerWaalsContact O-CD1 3.24Å; L188-F193 WeakPolarHBondContact O-CD1 3.04Å; L188-Q194 PolarHBondContact O-NE2 3.03Å; L188-L224 HydrophobicContact CD1-CD2 4.23Å; L188-L224 HydrophobicContact CD2-CD2 4.04Å
189	D	82.4	Confident	79.3	Confident	121 Å²	121	64.2 Å²	64.2	65%	0.647	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.5	176.2	-66.4	-31.4	0	0	0	113.4	R185	R185-D189 VanDerWaalsContact O-CG 3.31Å; R185-D189 PolarHBondContact O-N 3.19Å
190	Q	86.1	Confident	81.6	Confident	46 Å²	46	61.5 Å²	61.5	22%	0.215	33%	0.327	C	S	.	.	S	Bend	trans	-63.8	142.8	179.6	-74.1	-171.9	16.8	0	0	113	D133 Q186 L188 D192 F193 Q194	D133-Q190 PolarHBondContact OD1-NE2 3.23Å; Q186-Q190 WeakPolarHBondContact O-CG 3.29Å; L188-Q190 VanDerWaalsContact C-N 3.3Å; Q190-D192 PolarHBondContact O-N 2.58Å; Q190-F193 HydrophobicContact CB-CB 4.32Å; Q190-F193 PolarHBondContact O-N 3.43Å; Q190-Q194 WeakPolarHBondContact O-CG 3.2Å; Q190-Q194 PolarHBondContact O-N 2.84Å
191	P	86.4	Confident	83.5	Confident	98 Å²	98	59.8 Å²	59.8	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-30	177.6	26.4	-35.2	0	0	0	112.8	T195	P191-T195 WeakPolarHBondContact O-CB 3.22Å; P191-T195 PolarHBondContact O-N 3.37Å; P191-T195 PolarHBondContact O-OG1 3.16Å
192	D	88.4	Confident	85	Confident	56 Å²	56	61 Å²	61	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-71.7	-36.7	175.9	-86.5	36.5	0	0	0	112.2	L136 T140 Q190 T195 L196	L136-D192 HydrophobicContact CB-CB 4.11Å; L136-D192 HydrophobicContact CD1-CB 4.38Å; T140-D192 WeakPolarHBondContact CB-OD2 3.44Å; T140-D192 HydrophobicContact CG2-CB 3.77Å; T140-D192 WeakPolarHBondContact CG2-OD2 3.17Å; T140-D192 PolarHBondContact OG1-OD2 2.85Å; Q190-D192 PolarHBondContact O-N 2.58Å; D192-T195 WeakPolarHBondContact O-CB 3.2Å; D192-T195 PolarHBondContact O-N 3.02Å; D192-L196 PolarHBondContact O-N 3.15Å
193	F	90.6	Very high	86.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-43.7	172.4	-171.2	-86.1	0	0	0	110.9	L136 L155 I158 L188 Q190 T195 L196 C197 L222 L224	L136-F193 HydrophobicContact CD1-CB 4.06Å; L136-F193 HydrophobicContact CD2-CB 4.05Å; L136-F193 HydrophobicContact CD2-CD2 4.03Å; L136-F193 HydrophobicContact CD2-CG 4.49Å; L155-F193 HydrophobicContact CD2-CE2 4.1Å; L155-F193 HydrophobicContact CD2-CZ 4.21Å; I158-F193 HydrophobicContact CD1-CD2 4.49Å; L188-F193 HydrophobicContact CD2-CD1 4.33Å; L188-F193 HydrophobicContact CD2-CD2 4.14Å; L188-F193 HydrophobicContact CD2-CE1 3.78Å; L188-F193 HydrophobicContact CD2-CE2 3.58Å; L188-F193 HydrophobicContact CD2-CZ 3.39Å; L188-F193 VanDerWaalsContact O-CD1 3.24Å; L188-F193 WeakPolarHBondContact O-CD1 3.04Å; Q190-F193 HydrophobicContact CB-CB 4.32Å; Q190-F193 PolarHBondContact O-N 3.43Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 PolarHBondContact O-N 2.7Å; F193-L196 WeakPolarHBondContact O-CB 3.09Å; F193-L196 PolarHBondContact O-N 3.47Å; F193-C197 WeakPolarHBondContact CE1-SG 3.34Å; F193-C197 PolarHBondContact O-N 3.2Å; F193-L222 HydrophobicContact CE2-CD1 4.34Å; F193-L222 HydrophobicContact CZ-CD1 4.27Å; F193-L224 HydrophobicContact CE1-CD1 4.13Å; F193-L224 HydrophobicContact CE1-CD2 4Å; F193-L224 HydrophobicContact CZ-CD1 4.12Å; F193-L224 HydrophobicContact CZ-CD2 4.22Å
194	Q	90.3	Very high	87.6	Confident	84 Å²	84	56 Å²	56	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-35.1	173.7	-62.1	-58.9	-37.2	0	0	111.9	L188 Q190 C197 N198	L188-Q194 PolarHBondContact O-NE2 3.03Å; Q190-Q194 WeakPolarHBondContact O-CG 3.2Å; Q190-Q194 PolarHBondContact O-N 2.84Å; Q194-C197 PolarHBondContact O-N 3.38Å; Q194-N198 WeakPolarHBondContact O-CB 3.48Å; Q194-N198 VanDerWaalsContact O-CG 3.31Å; Q194-N198 PolarHBondContact O-N 2.9Å; Q194-N198 PolarHBondContact O-ND2 2.75Å
195	T	90.3	Very high	88.4	Confident	74 Å²	74	56.3 Å²	56.3	45%	0.454	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-43.6	173	-62.2	0	0	0	0	111.5	T140 P191 D192 F193 N198 A199	T140-T195 HydrophobicContact CG2-CG2 4.16Å; P191-T195 WeakPolarHBondContact O-CB 3.22Å; P191-T195 PolarHBondContact O-N 3.37Å; P191-T195 PolarHBondContact O-OG1 3.16Å; D192-T195 WeakPolarHBondContact O-CB 3.2Å; D192-T195 PolarHBondContact O-N 3.02Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 PolarHBondContact O-N 2.7Å; T195-N198 PolarHBondContact O-N 2.85Å; T195-A199 WeakPolarHBondContact O-CB 3.35Å; T195-A199 PolarHBondContact O-N 3.36Å
196	L	91.5	Very high	89.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-47.2	172.4	168.6	58	0	0	0	112	L136 V139 Y151 L155 I158 D192 F193 N198 A199 I200	L136-L196 HydrophobicContact CD2-CD2 4Å; V139-L196 HydrophobicContact CG1-CD1 4.02Å; Y151-L196 HydrophobicContact CD1-CD1 3.47Å; Y151-L196 VanDerWaalsContact CD1-CD1 3.47Å; Y151-L196 HydrophobicContact CE1-CD1 4.02Å; Y151-L196 HydrophobicContact CG-CD1 4.33Å; L155-L196 HydrophobicContact CD2-CD2 3.8Å; L155-L196 HydrophobicContact CD2-CG 4.38Å; L155-L196 HydrophobicContact CG-CD2 4.37Å; I158-L196 HydrophobicContact CD1-CD2 4.24Å; D192-L196 PolarHBondContact O-N 3.15Å; F193-L196 WeakPolarHBondContact O-CB 3.09Å; F193-L196 PolarHBondContact O-N 3.47Å; L196-N198 PolarHBondContact O-N 2.76Å; L196-A199 PolarHBondContact O-N 3.24Å; L196-I200 HydrophobicContact CD1-CD1 3.84Å; L196-I200 HydrophobicContact CD1-CG1 4.24Å; L196-I200 HydrophobicContact CG-CD1 4.19Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 2.83Å
197	C	92.7	Very high	89.8	Confident	10 Å²	10	50 Å²	50	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-40.8	177.3	-73.1	0	0	0	0	112.7	F193 Q194 I200 V201 V230	F193-C197 WeakPolarHBondContact CE1-SG 3.34Å; F193-C197 PolarHBondContact O-N 3.2Å; Q194-C197 PolarHBondContact O-N 3.38Å; C197-I200 PolarHBondContact O-N 3.03Å; C197-V201 WeakPolarHBondContact O-CG2 3.31Å; C197-V201 PolarHBondContact O-N 3.47Å; C197-V230 HydrophobicContact CB-CB 4.15Å; C197-V230 HydrophobicContact CB-CG1 4.34Å; C197-V230 HydrophobicContact CB-CG2 4.34Å
198	N	92.4	Very high	90.4	Very high	79 Å²	79	52 Å²	52	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-38.1	176.1	-75	-48.6	0	0	0	112.2	Q194 T195 L196 V201 N202	Q194-N198 WeakPolarHBondContact O-CB 3.48Å; Q194-N198 VanDerWaalsContact O-CG 3.31Å; Q194-N198 PolarHBondContact O-N 2.9Å; Q194-N198 PolarHBondContact O-ND2 2.75Å; T195-N198 PolarHBondContact O-N 2.85Å; L196-N198 PolarHBondContact O-N 2.76Å; N198-V201 PolarHBondContact O-N 2.8Å; N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 PolarHBondContact O-N 3.35Å; N198-N202 PolarHBondContact O-ND2 3.39Å; N198-N202 VanDerWaalsContact O-ND2 3.14Å
199	A	91.2	Very high	91	Very high	25 Å²	25	52.8 Å²	52.8	21%	0.207	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-43.5	173.1	0	0	0	0	0	111.6	Y151 T195 L196 N202 D203	Y151-A199 HydrophobicContact CE1-CB 4.32Å; T195-A199 WeakPolarHBondContact O-CB 3.35Å; T195-A199 PolarHBondContact O-N 3.36Å; L196-A199 PolarHBondContact O-N 3.24Å; A199-N202 PolarHBondContact O-N 3.3Å; A199-D203 WeakPolarHBondContact O-CB 3.26Å; A199-D203 PolarHBondContact O-N 2.87Å
200	I	93.8	Very high	91.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-46.4	174.7	-67.2	165.4	0	0	0	111.4	Y151 L155 L196 C197 N202 D203 C204 F207 V230 L234	Y151-I200 HydrophobicContact CD1-CG1 4.28Å; Y151-I200 HydrophobicContact CD2-CG1 4.08Å; Y151-I200 HydrophobicContact CG-CD1 4.44Å; Y151-I200 HydrophobicContact CG-CG1 3.89Å; L155-I200 HydrophobicContact CD1-CD1 3.71Å; L155-I200 HydrophobicContact CG-CD1 4.41Å; L196-I200 HydrophobicContact CD1-CD1 3.84Å; L196-I200 HydrophobicContact CD1-CG1 4.24Å; L196-I200 HydrophobicContact CG-CD1 4.19Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 2.83Å; C197-I200 PolarHBondContact O-N 3.03Å; I200-N202 PolarHBondContact O-N 3.45Å; I200-D203 PolarHBondContact O-N 3.49Å; I200-C204 WeakPolarHBondContact O-CA 3.45Å; I200-C204 VanDerWaalsContact O-CB 3.29Å; I200-C204 WeakPolarHBondContact O-CB 3.44Å; I200-C204 PolarHBondContact O-N 3.44Å; I200-F207 HydrophobicContact CB-CZ 4.33Å; I200-F207 HydrophobicContact CG1-CZ 4.26Å; I200-F207 HydrophobicContact CG2-CE2 4Å; I200-F207 HydrophobicContact CG2-CZ 4.11Å; I200-V230 HydrophobicContact CB-CG2 4.07Å; I200-V230 HydrophobicContact CG2-CG2 3.72Å; I200-L234 HydrophobicContact CG2-CD1 4.21Å; I200-L234 HydrophobicContact CG2-CD2 4.23Å; I200-L234 HydrophobicContact CG2-CG 4.29Å
201	V	95.3	Very high	91.8	Very high	37 Å²	37	50.2 Å²	50.2	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-45.4	177.4	163.4	0	0	0	0	111.8	C197 N198 K229 V230 V233	C197-V201 WeakPolarHBondContact O-CG2 3.31Å; C197-V201 PolarHBondContact O-N 3.47Å; N198-V201 PolarHBondContact O-N 2.8Å; V201-K229 HydrophobicContact CG2-CB 4.36Å; V201-V230 HydrophobicContact CG2-CB 4.1Å; V201-V230 HydrophobicContact CG2-CG2 4.43Å; V201-V233 HydrophobicContact CG1-CG2 4.28Å; V201-V233 HydrophobicContact CG2-CB 4.44Å; V201-V233 HydrophobicContact CG2-CG2 4.4Å
202	N	92.3	Very high	92.2	Very high	123 Å²	123	45.5 Å²	45.5	66%	0.658	25%	0.247	S	C	*	.	H	α-helix	trans	-72.1	-31.6	-176.1	-69.1	-27.3	0	0	0	113.5	N198 A199 I200	N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 PolarHBondContact O-N 3.35Å; N198-N202 PolarHBondContact O-ND2 3.39Å; N198-N202 VanDerWaalsContact O-ND2 3.14Å; A199-N202 PolarHBondContact O-N 3.3Å; I200-N202 PolarHBondContact O-N 3.45Å
203	D	91.1	Very high	92.6	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-103.5	-3.1	-176.6	-72	-38.7	0	0	0	114.5	A199 I200 A205 K206 F207	A199-D203 WeakPolarHBondContact O-CB 3.26Å; A199-D203 PolarHBondContact O-N 2.87Å; I200-D203 PolarHBondContact O-N 3.49Å; D203-A205 VanDerWaalsContact C-N 3.3Å; D203-A205 PolarHBondContact O-N 3.47Å; D203-A205 VanDerWaalsContact O-N 3.11Å; D203-K206 HydrophobicContact CB-CD 4.36Å; D203-K206 WeakPolarHBondContact O-CA 3.44Å; D203-K206 VanDerWaalsContact O-CB 3.28Å; D203-K206 WeakPolarHBondContact O-CB 3.18Å; D203-K206 PolarHBondContact O-N 3.22Å; D203-K206 WeakPolarHBondContact OD1-CD 3.28Å; D203-K206 WeakPolarHBondContact OD1-CE 3.48Å; D203-K206 IonicContact OD1-NZ 3.15Å; D203-K206 PolarHBondContact OD1-NZ 2.68Å; D203-F207 HydrophobicContact CB-CD1 4.42Å; D203-F207 HydrophobicContact CB-CE1 3.73Å; D203-F207 WeakPolarHBondContact O-CD1 3.22Å; D203-F207 WeakPolarHBondContact O-CE1 3.32Å
204	C	93.1	Very high	92.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.02	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-50.3	-42.7	-172.1	-169.8	0	0	0	0	114.2	I200 K206 F207 V233	I200-C204 WeakPolarHBondContact O-CA 3.45Å; I200-C204 VanDerWaalsContact O-CB 3.29Å; I200-C204 WeakPolarHBondContact O-CB 3.44Å; I200-C204 PolarHBondContact O-N 3.44Å; C204-K206 PolarHBondContact O-N 3.17Å; C204-K206 VanDerWaalsContact O-N 3.14Å; C204-F207 WeakPolarHBondContact O-CB 3.45Å; C204-F207 PolarHBondContact O-N 3.47Å; C204-F207 VanDerWaalsContact O-N 3.08Å; C204-V233 HydrophobicContact CB-CG1 3.73Å
205	A	91.6	Very high	93.1	Very high	70 Å²	70	39.9 Å²	39.9	58%	0.579	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-63.6	-18.6	178.2	0	0	0	0	0	113.8	D203 R241	D203-A205 VanDerWaalsContact C-N 3.3Å; D203-A205 PolarHBondContact O-N 3.47Å; D203-A205 VanDerWaalsContact O-N 3.11Å; A205-R241 PolarHBondContact O-NH2 3.34Å
206	K	91.3	Very high	93.4	Very high	136 Å²	136	36.4 Å²	36.4	59%	0.591	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-93.2	-2.5	178	-49.1	170.7	-172.2	163.6	0	113	H148 D203 C204	H148-K206 VanDerWaalsContact CE1-CB 3.46Å; H148-K206 WeakPolarHBondContact CE1-CB 3.33Å; H148-K206 PolarHBondContact CE1-O 2.84Å; H148-K206 PolarHBondContact ND1-O 3.41Å; H148-K206 VanDerWaalsContact ND1-O 3.09Å; D203-K206 HydrophobicContact CB-CD 4.36Å; D203-K206 WeakPolarHBondContact O-CA 3.44Å; D203-K206 VanDerWaalsContact O-CB 3.28Å; D203-K206 WeakPolarHBondContact O-CB 3.18Å; D203-K206 PolarHBondContact O-N 3.22Å; D203-K206 WeakPolarHBondContact OD1-CD 3.28Å; D203-K206 WeakPolarHBondContact OD1-CE 3.48Å; D203-K206 IonicContact OD1-NZ 3.15Å; D203-K206 PolarHBondContact OD1-NZ 2.68Å; C204-K206 PolarHBondContact O-N 3.17Å; C204-K206 VanDerWaalsContact O-N 3.14Å
207	F	93.6	Very high	93.6	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	21%	0.214	C	C	.	.	S	Bend	trans	-75.6	154.4	-179.1	-71.3	14.9	0	0	0	111	H148 Y151 I200 D203 C204 I212 R241	H148-F207 HydrophobicContact CB-CD1 3.54Å; H148-F207 HydrophobicContact CB-CE1 3.73Å; H148-F207 HydrophobicContact CB-CG 4.12Å; H148-F207 HydrophobicContact CB-CZ 4.44Å; H148-F207 AromaticContact CD2-CD1 3.95Å; H148-F207 AromaticContact CD2-CE1 3.77Å; H148-F207 AromaticContact CG-CD1 3.45Å; H148-F207 VanDerWaalsContact CG-CD1 3.45Å; H148-F207 AromaticContact CG-CE1 3.67Å; H148-F207 AromaticContact ND1-CD1 3.75Å; Y151-F207 AromaticContact CD2-CE1 3.87Å; Y151-F207 HydrophobicContact CD2-CE1 3.87Å; Y151-F207 HydrophobicContact CD2-CE2 4.21Å; Y151-F207 AromaticContact CD2-CZ 3.39Å; Y151-F207 HydrophobicContact CD2-CZ 3.39Å; Y151-F207 AromaticContact CE2-CE1 3.87Å; Y151-F207 HydrophobicContact CE2-CE1 3.87Å; Y151-F207 AromaticContact CE2-CZ 3.76Å; Y151-F207 HydrophobicContact CE2-CZ 3.76Å; Y151-F207 HydrophobicContact CG-CZ 4.46Å; I200-F207 HydrophobicContact CB-CZ 4.33Å; I200-F207 HydrophobicContact CG1-CZ 4.26Å; I200-F207 HydrophobicContact CG2-CE2 4Å; I200-F207 HydrophobicContact CG2-CZ 4.11Å; D203-F207 HydrophobicContact CB-CD1 4.42Å; D203-F207 HydrophobicContact CB-CE1 3.73Å; D203-F207 WeakPolarHBondContact O-CD1 3.22Å; D203-F207 WeakPolarHBondContact O-CE1 3.32Å; C204-F207 WeakPolarHBondContact O-CB 3.45Å; C204-F207 PolarHBondContact O-N 3.47Å; C204-F207 VanDerWaalsContact O-N 3.08Å; F207-I212 HydrophobicContact CB-CD1 4.16Å; F207-I212 HydrophobicContact CB-CG1 3.58Å; F207-I212 HydrophobicContact CD2-CG1 4.26Å; F207-I212 HydrophobicContact CG-CG1 4.42Å; F207-R241 PolarHBondContact O-NH1 2.99Å
208	D	92.2	Very high	93.6	Very high	65 Å²	65	40 Å²	40	35%	0.348	21%	0.211	S	C	.	.			trans	-79.3	161.4	165.2	65.5	-0.2	0	0	0	110.9	N149 F210 S211 I212	N149-D208 PolarHBondContact ND2-OD2 3.41Å; D208-F210 PolarHBondContact O-N 2.96Å; D208-S211 PolarHBondContact O-N 3.14Å; D208-S211 WeakPolarHBondContact OD1-CA 3.04Å; D208-S211 WeakPolarHBondContact OD1-CB 3.2Å; D208-S211 PolarHBondContact OD1-N 3.26Å; D208-S211 PolarHBondContact OD1-OG 3.42Å; D208-I212 WeakPolarHBondContact O-CG1 3.39Å; D208-I212 PolarHBondContact O-N 3.23Å
209	N	94.2	Very high	93.7	Very high	38 Å²	38	36.2 Å²	36.2	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-32.6	-177.7	-65.5	-1.7	0	0	0	111.3	V213 R241 Q244 F245	N209-V213 WeakPolarHBondContact O-CB 3.47Å; N209-V213 WeakPolarHBondContact O-CG2 3.46Å; N209-V213 PolarHBondContact O-N 3.25Å; N209-R241 WeakPolarHBondContact OD1-CD 3.48Å; N209-R241 PolarHBondContact OD1-NH1 3.07Å; N209-Q244 WeakPolarHBondContact ND2-CB 3.31Å; N209-Q244 PolarHBondContact ND2-OE1 3.44Å; N209-F245 HydrophobicContact CB-CD1 3.89Å; N209-F245 HydrophobicContact CB-CE1 3.71Å
210	F	92.5	Very high	93.8	Very high	112 Å²	112	35.1 Å²	35.1	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-60.9	-48.7	173.1	178.7	-92.6	0	0	0	112.3	D208 N214	D208-F210 PolarHBondContact O-N 2.96Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.39Å; F210-N214 WeakPolarHBondContact O-CB 3.45Å; F210-N214 PolarHBondContact O-N 3.18Å; F210-N214 PolarHBondContact O-ND2 2.74Å
211	S	93.3	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-37.5	-177.5	-57.4	0	0	0	0	112.3	N149 D208 C215	N149-S211 WeakPolarHBondContact CA-OG 3.37Å; N149-S211 PolarHBondContact ND2-OG 3.49Å; N149-S211 PolarHBondContact OD1-OG 2.84Å; D208-S211 PolarHBondContact O-N 3.14Å; D208-S211 WeakPolarHBondContact OD1-CA 3.04Å; D208-S211 WeakPolarHBondContact OD1-CB 3.2Å; D208-S211 PolarHBondContact OD1-N 3.26Å; D208-S211 PolarHBondContact OD1-OG 3.42Å; S211-C215 WeakPolarHBondContact O-CB 3.32Å; S211-C215 PolarHBondContact O-N 3.42Å; S211-C215 PolarHBondContact O-SG 3.13Å
212	I	95.7	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-53.6	174.8	-65.1	164.9	0	0	0	110	F207 D208 N214 C215 L216 E237 S238 R241 F245	F207-I212 HydrophobicContact CB-CD1 4.16Å; F207-I212 HydrophobicContact CB-CG1 3.58Å; F207-I212 HydrophobicContact CD2-CG1 4.26Å; F207-I212 HydrophobicContact CG-CG1 4.42Å; D208-I212 WeakPolarHBondContact O-CG1 3.39Å; D208-I212 PolarHBondContact O-N 3.23Å; I212-N214 PolarHBondContact O-N 3.06Å; I212-C215 PolarHBondContact O-N 3.42Å; I212-L216 WeakPolarHBondContact O-CB 3.12Å; I212-L216 PolarHBondContact O-N 3.26Å; I212-E237 HydrophobicContact CD1-CG 3.9Å; I212-S238 WeakPolarHBondContact CG2-OG 3.46Å; I212-R241 VanDerWaalsContact CD1-CZ 3.5Å; I212-F245 HydrophobicContact CG2-CZ 4.43Å
213	V	96	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-42.4	-176.5	176.5	0	0	0	0	111.5	N209 Y217 F245 D249 M252 V253	N209-V213 WeakPolarHBondContact O-CB 3.47Å; N209-V213 WeakPolarHBondContact O-CG2 3.46Å; N209-V213 PolarHBondContact O-N 3.25Å; V213-Y217 WeakPolarHBondContact O-CB 3.31Å; V213-Y217 PolarHBondContact O-N 3Å; V213-F245 HydrophobicContact CG2-CD1 4.5Å; V213-F245 HydrophobicContact CG2-CD2 4.27Å; V213-F245 HydrophobicContact CG2-CE1 4.21Å; V213-F245 HydrophobicContact CG2-CE2 3.97Å; V213-F245 HydrophobicContact CG2-CZ 3.93Å; V213-D249 HydrophobicContact CG1-CB 4.32Å; V213-D249 HydrophobicContact CG2-CB 4.09Å; V213-M252 HydrophobicContact CG1-CB 3.71Å; V213-M252 HydrophobicContact CG1-CE 3.81Å; V213-V253 HydrophobicContact CB-CG2 4.32Å; V213-V253 HydrophobicContact CG1-CG2 3.97Å; V213-V253 HydrophobicContact CG2-CG2 3.76Å
214	N	95	Very high	93.1	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-30.9	178.1	-78	-91.5	0	0	0	113	P152 Q156 F210 I212 A218	P152-N214 HydrophobicContact CB-CB 3.54Å; P152-N214 HydrophobicContact CG-CB 4.18Å; Q156-N214 PolarHBondContact NE2-OD1 3.09Å; F210-N214 WeakPolarHBondContact CE2-ND2 3.39Å; F210-N214 WeakPolarHBondContact O-CB 3.45Å; F210-N214 PolarHBondContact O-N 3.18Å; F210-N214 PolarHBondContact O-ND2 2.74Å; I212-N214 PolarHBondContact O-N 3.06Å; N214-A218 VanDerWaalsContact O-CB 3.23Å; N214-A218 WeakPolarHBondContact O-CB 3.46Å; N214-A218 PolarHBondContact O-N 3Å
215	C	95.5	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-47.5	172.5	-81.5	0	0	0	0	110.7	P152 S211 I212 Y217 A218 V219 L234	P152-C215 VanDerWaalsContact CD-SG 3.54Å; S211-C215 WeakPolarHBondContact O-CB 3.32Å; S211-C215 PolarHBondContact O-N 3.42Å; S211-C215 PolarHBondContact O-SG 3.13Å; I212-C215 PolarHBondContact O-N 3.42Å; C215-Y217 VanDerWaalsContact C-N 3.31Å; C215-Y217 PolarHBondContact O-N 2.96Å; C215-A218 PolarHBondContact O-N 2.94Å; C215-V219 WeakPolarHBondContact O-CG2 3.46Å; C215-V219 PolarHBondContact O-N 2.53Å; C215-L234 HydrophobicContact CB-CD1 3.91Å; C215-L234 HydrophobicContact CB-CD2 3.76Å
216	L	96.4	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-43.5	177.1	-176.3	59.5	0	0	0	111.3	I212 A218 V219 A220 L234 E235 S238 V253 L260 L268	I212-L216 WeakPolarHBondContact O-CB 3.12Å; I212-L216 PolarHBondContact O-N 3.26Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 2.87Å; L216-V219 HydrophobicContact CD1-CG2 4.26Å; L216-V219 VanDerWaalsContact O-CG2 3.29Å; L216-V219 WeakPolarHBondContact O-CG2 3.27Å; L216-A220 VanDerWaalsContact O-CB 3.26Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.86Å; L216-L234 HydrophobicContact CB-CB 4.33Å; L216-L234 HydrophobicContact CD1-CB 4.03Å; L216-E235 HydrophobicContact CD1-CG 3.64Å; L216-E235 HydrophobicContact CD2-CG 4.31Å; L216-S238 WeakPolarHBondContact CD2-OG 3.43Å; L216-V253 HydrophobicContact CD2-CG1 4.01Å; L216-L260 HydrophobicContact CD1-CD1 3.75Å; L216-L268 HydrophobicContact CD2-CD2 4.12Å
217	Y	95.6	Very high	92.7	Very high	86 Å²	86	32.1 Å²	32.1	34%	0.337	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-37.5	173.4	-177.9	-97.8	0	0	0	113.2	V213 C215 S221 S256	V213-Y217 WeakPolarHBondContact O-CB 3.31Å; V213-Y217 PolarHBondContact O-N 3Å; C215-Y217 VanDerWaalsContact C-N 3.31Å; C215-Y217 PolarHBondContact O-N 2.96Å; Y217-S221 VanDerWaalsContact O-CB 3.22Å; Y217-S221 WeakPolarHBondContact O-CB 3.16Å; Y217-S221 PolarHBondContact O-N 3.37Å; Y217-S221 PolarHBondContact O-OG 2.6Å; Y217-S256 WeakPolarHBondContact CA-OG 3.5Å; Y217-S256 PolarHBondContact N-OG 3.38Å
218	A	94.5	Very high	92.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-71.7	-45.5	179.3	0	0	0	0	0	112.5	L155 Q156 N214 C215 L216 A220 S221 L222	L155-A218 HydrophobicContact CB-CB 3.49Å; L155-A218 VanDerWaalsContact CB-CB 3.49Å; L155-A218 HydrophobicContact CD1-CB 4.16Å; Q156-A218 HydrophobicContact CG-CB 3.83Å; N214-A218 VanDerWaalsContact O-CB 3.23Å; N214-A218 WeakPolarHBondContact O-CB 3.46Å; N214-A218 PolarHBondContact O-N 3Å; C215-A218 PolarHBondContact O-N 2.94Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 2.87Å; A218-A220 VanDerWaalsContact C-N 3.35Å; A218-A220 PolarHBondContact O-N 2.97Å; A218-S221 PolarHBondContact O-N 2.84Å; A218-L222 WeakPolarHBondContact O-CB 3.38Å; A218-L222 WeakPolarHBondContact O-CG 3.32Å; A218-L222 PolarHBondContact O-N 3.35Å
219	V	94.2	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-39.1	176.3	-62.4	0	0	0	0	111.9	L155 C215 L216 L222 G223 L224 V230 V231 L234	L155-V219 HydrophobicContact CD1-CG1 3.85Å; C215-V219 WeakPolarHBondContact O-CG2 3.46Å; C215-V219 PolarHBondContact O-N 2.53Å; L216-V219 HydrophobicContact CD1-CG2 4.26Å; L216-V219 VanDerWaalsContact O-CG2 3.29Å; L216-V219 WeakPolarHBondContact O-CG2 3.27Å; V219-L222 PolarHBondContact O-N 2.89Å; V219-G223 PolarHBondContact O-N 2.78Å; V219-G223 VanDerWaalsContact O-N 3.12Å; V219-L224 HydrophobicContact CB-CD1 3.97Å; V219-L224 HydrophobicContact CG1-CD1 3.92Å; V219-L224 PolarHBondContact O-N 3.08Å; V219-V230 HydrophobicContact CG1-CG1 4.39Å; V219-V230 HydrophobicContact CG1-CG2 4.42Å; V219-V231 HydrophobicContact CB-CG2 4.26Å; V219-V231 HydrophobicContact CG2-CG2 3.86Å; V219-L234 HydrophobicContact CG1-CD1 4.15Å; V219-L234 HydrophobicContact CG2-CD1 3.97Å
220	A	92.9	Very high	92.8	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-42	173	0	0	0	0	0	111.6	L216 A218 G223 R259 L260	L216-A220 VanDerWaalsContact O-CB 3.26Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 2.86Å; A218-A220 VanDerWaalsContact C-N 3.35Å; A218-A220 PolarHBondContact O-N 2.97Å; A220-G223 PolarHBondContact O-N 3.16Å; A220-R259 VanDerWaalsContact C-CD 3.44Å; A220-R259 HydrophobicContact CB-CB 4.41Å; A220-R259 HydrophobicContact CB-CG 4.5Å; A220-R259 WeakPolarHBondContact O-CD 3.41Å; A220-L260 HydrophobicContact CB-CD1 4.03Å; A220-L260 HydrophobicContact CB-CD2 4.09Å; A220-L260 HydrophobicContact CB-CG 3.75Å
221	S	90.8	Very high	93	Very high	28 Å²	28	30.9 Å²	30.9	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-72.1	-27.8	178	-60.8	0	0	0	0	113.4	Y217 A218 G223	Y217-S221 VanDerWaalsContact O-CB 3.22Å; Y217-S221 WeakPolarHBondContact O-CB 3.16Å; Y217-S221 PolarHBondContact O-N 3.37Å; Y217-S221 PolarHBondContact O-OG 2.6Å; A218-S221 PolarHBondContact O-N 2.84Å; S221-G223 PolarHBondContact O-N 3.05Å
222	L	90.2	Very high	93.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-70.8	-15.7	167.1	-76.2	166.2	0	0	0	112.5	L155 I158 G159 L162 R184 F193 A218 V219 L224	L155-L222 HydrophobicContact CB-CD1 3.92Å; L155-L222 HydrophobicContact CD2-CD1 3.65Å; L155-L222 HydrophobicContact CG-CD1 4.34Å; I158-L222 HydrophobicContact CG2-CD2 4.03Å; G159-L222 VanDerWaalsContact CA-CD2 3.49Å; L162-L222 HydrophobicContact CD1-CD2 4.14Å; R184-L222 PolarHBondContact NE-O 3.27Å; R184-L222 VanDerWaalsContact NH2-C 3.28Å; R184-L222 PolarHBondContact NH2-O 3.31Å; F193-L222 HydrophobicContact CE2-CD1 4.34Å; F193-L222 HydrophobicContact CZ-CD1 4.27Å; A218-L222 WeakPolarHBondContact O-CB 3.38Å; A218-L222 WeakPolarHBondContact O-CG 3.32Å; A218-L222 PolarHBondContact O-N 3.35Å; V219-L222 PolarHBondContact O-N 2.89Å; L222-L224 HydrophobicContact CB-CG 4.45Å
223	G	87.1	Confident	93.1	Very high	52 Å²	52	36.8 Å²	36.8	54%	0.536	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	34.8	-179.4	0	0	0	0	0	112.5	V219 A220 S221	V219-G223 PolarHBondContact O-N 2.78Å; V219-G223 VanDerWaalsContact O-N 3.12Å; A220-G223 PolarHBondContact O-N 3.16Å; S221-G223 PolarHBondContact O-N 3.05Å
224	L	89.9	Confident	93.1	Very high	18 Å²	18	36.8 Å²	36.8	9%	0.094	21%	0.212	C	C	.	.			trans	-64.3	146.1	172	-72.9	-174.8	0	0	0	110.7	L188 F193 V219 L222 V230 V231	L188-L224 HydrophobicContact CD1-CD2 4.23Å; L188-L224 HydrophobicContact CD2-CD2 4.04Å; F193-L224 HydrophobicContact CE1-CD1 4.13Å; F193-L224 HydrophobicContact CE1-CD2 4Å; F193-L224 HydrophobicContact CZ-CD1 4.12Å; F193-L224 HydrophobicContact CZ-CD2 4.22Å; V219-L224 HydrophobicContact CB-CD1 3.97Å; V219-L224 HydrophobicContact CG1-CD1 3.92Å; V219-L224 PolarHBondContact O-N 3.08Å; L222-L224 HydrophobicContact CB-CG 4.45Å; L224-V230 HydrophobicContact CD1-CG1 3.75Å; L224-V231 HydrophobicContact CB-CG2 4.27Å
225	P	89.3	Confident	93.1	Very high	77 Å²	77	36.1 Å²	36.1	50%	0.5	21%	0.208	S	C	.	.			trans	-55.9	140.7	175.7	-25.3	34.8	0	0	0	112.3	D227 S228	P225-D227 VanDerWaalsContact C-N 3.28Å; P225-D227 WeakPolarHBondContact CB-OD1 3.47Å; P225-D227 PolarHBondContact O-N 2.99Å; P225-S228 WeakPolarHBondContact O-CB 3.43Å; P225-S228 PolarHBondContact O-N 3.32Å; P225-S228 PolarHBondContact O-OG 3Å
226	S	89.1	Confident	93.1	Very high	37 Å²	37	39 Å²	39	26%	0.259	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.8	-175.5	51.5	0	0	0	0	113.9	S228	S226-S228 VanDerWaalsContact C-N 3.33Å
227	D	89.7	Confident	93.1	Very high	130 Å²	130	41.1 Å²	41.1	70%	0.695	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.7	169.9	65.5	-45.6	0	0	0	113.4	P225 K229	P225-D227 VanDerWaalsContact C-N 3.28Å; P225-D227 WeakPolarHBondContact CB-OD1 3.47Å; P225-D227 PolarHBondContact O-N 2.99Å; D227-K229 PolarHBondContact O-N 3.49Å
228	S	92.9	Very high	93.1	Very high	28 Å²	28	37 Å²	37	20%	0.196	23%	0.226	C	C	.	.	S	Bend	trans	-64.8	136.8	179.6	72.2	0	0	0	0	111.6	P225 S226 V230 V231 V232	P225-S228 WeakPolarHBondContact O-CB 3.43Å; P225-S228 PolarHBondContact O-N 3.32Å; P225-S228 PolarHBondContact O-OG 3Å; S226-S228 VanDerWaalsContact C-N 3.33Å; S228-V230 PolarHBondContact O-N 3.22Å; S228-V231 PolarHBondContact O-N 3.26Å; S228-V231 WeakPolarHBondContact OG-CG2 3.28Å; S228-V232 PolarHBondContact O-N 2.93Å
229	K	94.3	Very high	93.2	Very high	159 Å²	159	40.8 Å²	40.8	69%	0.691	24%	0.243	S	C	*	.	H	α-helix	trans	-53.1	-36.1	-173.9	-64	-178.9	-178.5	175.9	0	113.5	V201 D227 V233	V201-K229 HydrophobicContact CG2-CB 4.36Å; D227-K229 PolarHBondContact O-N 3.49Å; K229-V233 WeakPolarHBondContact O-CB 3.33Å; K229-V233 VanDerWaalsContact O-CG2 3.27Å; K229-V233 WeakPolarHBondContact O-CG2 3.26Å; K229-V233 PolarHBondContact O-N 2.82Å; K229-V233 VanDerWaalsContact O-N 3.07Å
230	V	94.7	Very high	93.2	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-37.5	179.1	69.6	0	0	0	0	112.2	C197 I200 V201 V219 L224 S228 L234	C197-V230 HydrophobicContact CB-CB 4.15Å; C197-V230 HydrophobicContact CB-CG1 4.34Å; C197-V230 HydrophobicContact CB-CG2 4.34Å; I200-V230 HydrophobicContact CB-CG2 4.07Å; I200-V230 HydrophobicContact CG2-CG2 3.72Å; V201-V230 HydrophobicContact CG2-CB 4.1Å; V201-V230 HydrophobicContact CG2-CG2 4.43Å; V219-V230 HydrophobicContact CG1-CG1 4.39Å; V219-V230 HydrophobicContact CG1-CG2 4.42Å; L224-V230 HydrophobicContact CD1-CG1 3.75Å; S228-V230 PolarHBondContact O-N 3.22Å; V230-L234 HydrophobicContact CG2-CD1 4.08Å; V230-L234 WeakPolarHBondContact O-CB 3.36Å; V230-L234 WeakPolarHBondContact O-CD1 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.23Å; V230-L234 WeakPolarHBondContact O-CG 3.36Å; V230-L234 PolarHBondContact O-N 3.01Å; V230-L234 VanDerWaalsContact O-N 3.17Å
231	V	95.1	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-53.7	173.8	171.6	0	0	0	0	110	V219 L224 S228 V233 L234 E235 L260	V219-V231 HydrophobicContact CB-CG2 4.26Å; V219-V231 HydrophobicContact CG2-CG2 3.86Å; L224-V231 HydrophobicContact CB-CG2 4.27Å; S228-V231 PolarHBondContact O-N 3.26Å; S228-V231 WeakPolarHBondContact OG-CG2 3.28Å; V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3.41Å; V231-L234 PolarHBondContact O-N 3.14Å; V231-L234 VanDerWaalsContact O-N 3.08Å; V231-E235 HydrophobicContact CG1-CG 4.04Å; V231-E235 WeakPolarHBondContact O-CG 3.17Å; V231-E235 PolarHBondContact O-N 3.41Å; V231-L260 HydrophobicContact CG1-CD1 3.64Å; V231-L260 HydrophobicContact CG1-CD2 3.98Å; V231-L260 HydrophobicContact CG1-CG 4.32Å; V231-L260 HydrophobicContact CG2-CD2 3.89Å
232	V	95.3	Very high	93.4	Very high	76 Å²	76	46 Å²	46	46%	0.461	27%	0.271	S	S	.	.	H	α-helix	trans	-56.5	-40.6	-176.5	177.1	0	0	0	0	112.1	S228 A236	S228-V232 PolarHBondContact O-N 2.93Å; V232-A236 VanDerWaalsContact O-CB 3.3Å; V232-A236 WeakPolarHBondContact O-CB 3.42Å; V232-A236 PolarHBondContact O-N 3.09Å
233	V	96.6	Very high	93.5	Very high	48 Å²	48	51.4 Å²	51.4	29%	0.291	31%	0.309	S	S	.	.	H	α-helix	trans	-71.1	-41.7	177.3	171	0	0	0	0	112.2	V201 C204 K229 V231 A236 E237	V201-V233 HydrophobicContact CG1-CG2 4.28Å; V201-V233 HydrophobicContact CG2-CB 4.44Å; V201-V233 HydrophobicContact CG2-CG2 4.4Å; C204-V233 HydrophobicContact CB-CG1 3.73Å; K229-V233 WeakPolarHBondContact O-CB 3.33Å; K229-V233 VanDerWaalsContact O-CG2 3.27Å; K229-V233 WeakPolarHBondContact O-CG2 3.26Å; K229-V233 PolarHBondContact O-N 2.82Å; K229-V233 VanDerWaalsContact O-N 3.07Å; V231-V233 VanDerWaalsContact C-N 3.27Å; V231-V233 PolarHBondContact O-N 3.41Å; V233-A236 PolarHBondContact O-N 3.14Å; V233-E237 WeakPolarHBondContact O-CB 3.5Å; V233-E237 PolarHBondContact O-N 3.01Å
234	L	96.1	Very high	93.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-36.2	175.6	-75.8	167.8	0	0	0	112.3	I200 C215 L216 V219 V230 V231 S238	I200-L234 HydrophobicContact CG2-CD1 4.21Å; I200-L234 HydrophobicContact CG2-CD2 4.23Å; I200-L234 HydrophobicContact CG2-CG 4.29Å; C215-L234 HydrophobicContact CB-CD1 3.91Å; C215-L234 HydrophobicContact CB-CD2 3.76Å; L216-L234 HydrophobicContact CB-CB 4.33Å; L216-L234 HydrophobicContact CD1-CB 4.03Å; V219-L234 HydrophobicContact CG1-CD1 4.15Å; V219-L234 HydrophobicContact CG2-CD1 3.97Å; V230-L234 HydrophobicContact CG2-CD1 4.08Å; V230-L234 WeakPolarHBondContact O-CB 3.36Å; V230-L234 WeakPolarHBondContact O-CD1 3.48Å; V230-L234 VanDerWaalsContact O-CG 3.23Å; V230-L234 WeakPolarHBondContact O-CG 3.36Å; V230-L234 PolarHBondContact O-N 3.01Å; V230-L234 VanDerWaalsContact O-N 3.17Å; V231-L234 PolarHBondContact O-N 3.14Å; V231-L234 VanDerWaalsContact O-N 3.08Å; L234-S238 VanDerWaalsContact O-CB 3.22Å; L234-S238 WeakPolarHBondContact O-CB 3.23Å; L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 PolarHBondContact O-OG 3.31Å
235	E	95.9	Very high	94	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-70.2	-42.1	175.4	-70.7	-162.7	121	0	0	111.7	L216 V231 S238 Q239 L260 H261 H266 L268	L216-E235 HydrophobicContact CD1-CG 3.64Å; L216-E235 HydrophobicContact CD2-CG 4.31Å; V231-E235 HydrophobicContact CG1-CG 4.04Å; V231-E235 WeakPolarHBondContact O-CG 3.17Å; V231-E235 PolarHBondContact O-N 3.41Å; E235-S238 PolarHBondContact O-N 3.14Å; E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 PolarHBondContact O-N 3.12Å; E235-L260 HydrophobicContact CG-CD1 4.44Å; E235-H261 IonicContact OE1-CD2 3.53Å; E235-H261 PolarHBondContact OE1-CD2 3.48Å; E235-H261 IonicContact OE1-NE2 3.55Å; E235-H261 PolarHBondContact OE1-NE2 3.13Å; E235-H261 IonicContact OE2-CD2 3.57Å; E235-H261 IonicContact OE2-NE2 2.74Å; E235-H261 PolarHBondContact OE2-NE2 3.48Å; E235-H266 VanDerWaalsContact CD-CE1 3.43Å; E235-H266 IonicContact OE1-CE1 2.81Å; E235-H266 PolarHBondContact OE1-CE1 2.82Å; E235-H266 IonicContact OE1-ND1 3.5Å; E235-H266 PolarHBondContact OE1-ND1 3.15Å; E235-H266 IonicContact OE2-CE1 2.95Å; E235-H266 PolarHBondContact OE2-CE1 3.1Å; E235-H266 IonicContact OE2-ND1 2.69Å; E235-H266 IonicContact OE2-NE2 3.83Å; E235-L268 HydrophobicContact CB-CD2 3.76Å; E235-L268 HydrophobicContact CG-CD2 3.74Å
236	A	95.4	Very high	94.1	Very high	61 Å²	61	55.1 Å²	55.1	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.7	0	0	0	0	0	112.6	V232 V233 Q239 S240	V232-A236 VanDerWaalsContact O-CB 3.3Å; V232-A236 WeakPolarHBondContact O-CB 3.42Å; V232-A236 PolarHBondContact O-N 3.09Å; V233-A236 PolarHBondContact O-N 3.14Å; A236-Q239 PolarHBondContact O-N 3.41Å; A236-S240 PolarHBondContact O-N 3.27Å
237	E	95.9	Very high	94.1	Very high	44 Å²	44	55.8 Å²	55.8	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-29	177.5	-164.6	63.2	-170.8	0	0	112.4	I212 V233 S240 R241	I212-E237 HydrophobicContact CD1-CG 3.9Å; V233-E237 WeakPolarHBondContact O-CB 3.5Å; V233-E237 PolarHBondContact O-N 3.01Å; E237-S240 PolarHBondContact O-OG 3.35Å; E237-S240 VanDerWaalsContact O-OG 3.06Å; E237-S240 PolarHBondContact OE2-OG 2.77Å; E237-R241 WeakPolarHBondContact O-CG 3.4Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 IonicContact OE1-CZ 3.88Å; E237-R241 IonicContact OE1-NE 3.48Å; E237-R241 PolarHBondContact OE1-NE 3.42Å; E237-R241 IonicContact OE1-NH2 3.57Å; E237-R241 PolarHBondContact OE1-NH2 2.76Å
238	S	96.1	Very high	94.2	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-39.2	169.4	-63.9	0	0	0	0	111.9	I212 L216 L234 E235 L242 F245	I212-S238 WeakPolarHBondContact CG2-OG 3.46Å; L216-S238 WeakPolarHBondContact CD2-OG 3.43Å; L234-S238 VanDerWaalsContact O-CB 3.22Å; L234-S238 WeakPolarHBondContact O-CB 3.23Å; L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 PolarHBondContact O-OG 3.31Å; E235-S238 PolarHBondContact O-N 3.14Å; S238-L242 PolarHBondContact O-N 3.07Å; S238-L242 VanDerWaalsContact O-N 3.1Å; S238-F245 WeakPolarHBondContact O-CE2 3.47Å
239	Q	95.4	Very high	94.2	Very high	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-68.1	-41.3	177.2	-176.1	65.6	5.7	0	0	111.7	E235 A236 R241 L268	E235-Q239 WeakPolarHBondContact O-CB 3.21Å; E235-Q239 PolarHBondContact O-N 3.12Å; A236-Q239 PolarHBondContact O-N 3.41Å; Q239-R241 VanDerWaalsContact C-N 3.33Å; Q239-R241 PolarHBondContact O-N 2.99Å; Q239-L268 HydrophobicContact CB-CD1 4.14Å; Q239-L268 VanDerWaalsContact OE1-CD1 3.24Å
240	S	94.8	Very high	94.2	Very high	72 Å²	72	48.7 Å²	48.7	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-33.6	179.3	74.3	0	0	0	0	112.6	A236 E237	A236-S240 PolarHBondContact O-N 3.27Å; E237-S240 PolarHBondContact O-OG 3.35Å; E237-S240 VanDerWaalsContact O-OG 3.06Å; E237-S240 PolarHBondContact OE2-OG 2.77Å
241	R	94.8	Very high	94.1	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-98.1	3.4	-178.7	-59.9	-170.2	-167.9	-165	5	115.3	A205 F207 N209 I212 E237 Q239 S243 Q244 F245	A205-R241 PolarHBondContact O-NH2 3.34Å; F207-R241 PolarHBondContact O-NH1 2.99Å; N209-R241 WeakPolarHBondContact OD1-CD 3.48Å; N209-R241 PolarHBondContact OD1-NH1 3.07Å; I212-R241 VanDerWaalsContact CD1-CZ 3.5Å; E237-R241 WeakPolarHBondContact O-CG 3.4Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 IonicContact OE1-CZ 3.88Å; E237-R241 IonicContact OE1-NE 3.48Å; E237-R241 PolarHBondContact OE1-NE 3.42Å; E237-R241 IonicContact OE1-NH2 3.57Å; E237-R241 PolarHBondContact OE1-NH2 2.76Å; Q239-R241 VanDerWaalsContact C-N 3.33Å; Q239-R241 PolarHBondContact O-N 2.99Å; R241-S243 PolarHBondContact O-N 3.38Å; R241-Q244 WeakPolarHBondContact O-CA 3.5Å; R241-Q244 VanDerWaalsContact O-CB 3.32Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 2.86Å; R241-F245 HydrophobicContact CB-CD1 4.45Å; R241-F245 HydrophobicContact CB-CE1 3.67Å; R241-F245 HydrophobicContact CB-CZ 3.82Å
242	L	93.7	Very high	94.1	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.168	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-54	-31.8	-171.9	-173.1	61.9	0	0	0	114.2	S238 Q244 F245 V250 A271	S238-L242 PolarHBondContact O-N 3.07Å; S238-L242 VanDerWaalsContact O-N 3.1Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 3.25Å; L242-F245 HydrophobicContact CD1-CD2 4.04Å; L242-F245 PolarHBondContact O-N 3.45Å; L242-V250 HydrophobicContact CD1-CG1 4.34Å; L242-V250 HydrophobicContact CD1-CG2 4.06Å; L242-A271 HydrophobicContact CD2-CB 3.65Å
243	S	91.8	Very high	94.1	Very high	115 Å²	115	47 Å²	47	80%	0.804	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-71.3	-14.5	176.1	57.7	0	0	0	0	114.9	R241	R241-S243 PolarHBondContact O-N 3.38Å
244	Q	93.9	Very high	94	Very high	120 Å²	120	44.7 Å²	44.7	56%	0.561	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-98.1	-9.9	178.8	-49.4	178.1	16.1	0	0	112.7	N209 R241 L242	N209-Q244 WeakPolarHBondContact ND2-CB 3.31Å; N209-Q244 PolarHBondContact ND2-OE1 3.44Å; R241-Q244 WeakPolarHBondContact O-CA 3.5Å; R241-Q244 VanDerWaalsContact O-CB 3.32Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 2.86Å; L242-Q244 VanDerWaalsContact C-N 3.27Å; L242-Q244 PolarHBondContact O-N 3.25Å
245	F	94.1	Very high	94	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.079	25%	0.253	C	S	.	.			trans	-81.6	143.1	-178.6	-64.9	-12.2	0	0	0	110.9	N209 I212 V213 S238 R241 L242 D249 V250 V253	N209-F245 HydrophobicContact CB-CD1 3.89Å; N209-F245 HydrophobicContact CB-CE1 3.71Å; I212-F245 HydrophobicContact CG2-CZ 4.43Å; V213-F245 HydrophobicContact CG2-CD1 4.5Å; V213-F245 HydrophobicContact CG2-CD2 4.27Å; V213-F245 HydrophobicContact CG2-CE1 4.21Å; V213-F245 HydrophobicContact CG2-CE2 3.97Å; V213-F245 HydrophobicContact CG2-CZ 3.93Å; S238-F245 WeakPolarHBondContact O-CE2 3.47Å; R241-F245 HydrophobicContact CB-CD1 4.45Å; R241-F245 HydrophobicContact CB-CE1 3.67Å; R241-F245 HydrophobicContact CB-CZ 3.82Å; L242-F245 HydrophobicContact CD1-CD2 4.04Å; L242-F245 PolarHBondContact O-N 3.45Å; F245-D249 HydrophobicContact CB-CB 4.01Å; F245-D249 HydrophobicContact CG-CB 4.39Å; F245-V250 HydrophobicContact CB-CG2 3.76Å; F245-V253 HydrophobicContact CD2-CG2 4.1Å; F245-V253 HydrophobicContact CE2-CG2 3.88Å
246	N	91.2	Very high	93.9	Very high	86 Å²	86	45.8 Å²	45.8	46%	0.46	25%	0.251	S	S	.	.			trans	-79.9	167.9	170.8	66.6	66.9	0	0	0	110.8	K248 D249 V250	N246-K248 VanDerWaalsContact C-N 3.25Å; N246-K248 PolarHBondContact O-N 3.37Å; N246-K248 VanDerWaalsContact O-N 3.15Å; N246-K248 WeakPolarHBondContact OD1-CB 3.45Å; N246-K248 PolarHBondContact OD1-N 2.92Å; N246-D249 PolarHBondContact ND2-OD2 3.27Å; N246-D249 PolarHBondContact O-N 3.46Å; N246-D249 PolarHBondContact OD1-N 3.44Å; N246-D249 VanDerWaalsContact OD1-N 3.1Å; N246-V250 WeakPolarHBondContact O-CG2 3.05Å; N246-V250 PolarHBondContact O-N 3.42Å
247	Q	88.8	Confident	93.8	Very high	51 Å²	51	42.9 Å²	42.9	24%	0.238	23%	0.227	C	C	.	.	H	α-helix	trans	-52.1	-37.8	-177.7	-175.9	71.9	11.3	0	0	114	S251 N279 E283	Q247-S251 WeakPolarHBondContact O-CB 3.47Å; Q247-S251 PolarHBondContact O-N 2.9Å; Q247-S251 VanDerWaalsContact O-N 3.08Å; Q247-S251 PolarHBondContact O-OG 2.85Å; Q247-N279 PolarHBondContact OE1-ND2 3.29Å; Q247-E283 VanDerWaalsContact CG-OE2 3.24Å; Q247-E283 WeakPolarHBondContact CG-OE2 3.47Å; Q247-E283 PolarHBondContact NE2-OE2 2.98Å
248	K	90.9	Very high	93.7	Very high	136 Å²	136	41.9 Å²	41.9	59%	0.591	22%	0.223	S	C	*	.	H	α-helix	trans	-69.9	-44.1	177.7	-176.1	-163	172.6	-170.4	0	110.8	N246 S251 M252	N246-K248 VanDerWaalsContact C-N 3.25Å; N246-K248 PolarHBondContact O-N 3.37Å; N246-K248 VanDerWaalsContact O-N 3.15Å; N246-K248 WeakPolarHBondContact OD1-CB 3.45Å; N246-K248 PolarHBondContact OD1-N 2.92Å; K248-S251 WeakPolarHBondContact O-CB 3.3Å; K248-S251 PolarHBondContact O-N 3.31Å; K248-S251 VanDerWaalsContact O-N 3.16Å; K248-M252 HydrophobicContact CD-CE 4.27Å; K248-M252 HydrophobicContact CG-CE 4.19Å; K248-M252 WeakPolarHBondContact O-CG 3.13Å; K248-M252 PolarHBondContact O-N 2.88Å
249	D	93.2	Very high	93.4	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-43.3	-179.6	-67.1	-16.1	0	0	0	111.2	V213 F245 N246 S251 M252 V253	V213-D249 HydrophobicContact CG1-CB 4.32Å; V213-D249 HydrophobicContact CG2-CB 4.09Å; F245-D249 HydrophobicContact CB-CB 4.01Å; F245-D249 HydrophobicContact CG-CB 4.39Å; N246-D249 PolarHBondContact ND2-OD2 3.27Å; N246-D249 PolarHBondContact O-N 3.46Å; N246-D249 PolarHBondContact OD1-N 3.44Å; N246-D249 VanDerWaalsContact OD1-N 3.1Å; D249-S251 VanDerWaalsContact C-N 3.27Å; D249-S251 PolarHBondContact O-N 3.36Å; D249-M252 PolarHBondContact O-N 3.26Å; D249-M252 VanDerWaalsContact O-N 3.1Å; D249-M252 WeakPolarHBondContact OD1-CE 3.03Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.06Å
250	V	94	Very high	93.2	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-41	170.3	178.4	0	0	0	0	111.2	L242 F245 N246 M252 V253 F254 C272 L276	L242-V250 HydrophobicContact CD1-CG1 4.34Å; L242-V250 HydrophobicContact CD1-CG2 4.06Å; F245-V250 HydrophobicContact CB-CG2 3.76Å; N246-V250 WeakPolarHBondContact O-CG2 3.05Å; N246-V250 PolarHBondContact O-N 3.42Å; V250-M252 PolarHBondContact O-N 2.86Å; V250-V253 PolarHBondContact O-N 3.26Å; V250-F254 VanDerWaalsContact O-CB 3.27Å; V250-F254 WeakPolarHBondContact O-CB 3.31Å; V250-F254 PolarHBondContact O-N 3.16Å; V250-C272 HydrophobicContact CG1-CB 4.06Å; V250-L276 HydrophobicContact CB-CD2 4.43Å; V250-L276 HydrophobicContact CG1-CD2 3.94Å; V250-L276 HydrophobicContact CG1-CG 3.94Å
251	S	93.4	Very high	92.9	Very high	8 Å²	8	43.1 Å²	43.1	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-36.5	176.3	-56.8	0	0	0	0	112.8	Q247 K248 D249 S255 T288 L291	Q247-S251 WeakPolarHBondContact O-CB 3.47Å; Q247-S251 PolarHBondContact O-N 2.9Å; Q247-S251 VanDerWaalsContact O-N 3.08Å; Q247-S251 PolarHBondContact O-OG 2.85Å; K248-S251 WeakPolarHBondContact O-CB 3.3Å; K248-S251 PolarHBondContact O-N 3.31Å; K248-S251 VanDerWaalsContact O-N 3.16Å; D249-S251 VanDerWaalsContact C-N 3.27Å; D249-S251 PolarHBondContact O-N 3.36Å; S251-S255 WeakPolarHBondContact O-CB 3.49Å; S251-S255 PolarHBondContact O-N 2.78Å; S251-T288 VanDerWaalsContact OG-CG2 3.25Å; S251-T288 WeakPolarHBondContact OG-CG2 3.22Å; S251-T288 PolarHBondContact OG-OG1 3.41Å; S251-L291 WeakPolarHBondContact O-CD2 3.28Å
252	M	94.1	Very high	92.3	Very high	37 Å²	37	46 Å²	46	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-72.9	-40.6	176.5	-69.2	-172.4	-60.9	0	0	112	V213 K248 D249 V250 S255 S256	V213-M252 HydrophobicContact CG1-CB 3.71Å; V213-M252 HydrophobicContact CG1-CE 3.81Å; K248-M252 HydrophobicContact CD-CE 4.27Å; K248-M252 HydrophobicContact CG-CE 4.19Å; K248-M252 WeakPolarHBondContact O-CG 3.13Å; K248-M252 PolarHBondContact O-N 2.88Å; D249-M252 PolarHBondContact O-N 3.26Å; D249-M252 VanDerWaalsContact O-N 3.1Å; D249-M252 WeakPolarHBondContact OD1-CE 3.03Å; V250-M252 PolarHBondContact O-N 2.86Å; M252-S255 PolarHBondContact O-N 2.92Å; M252-S256 WeakPolarHBondContact O-CB 3.18Å; M252-S256 PolarHBondContact O-N 2.82Å; M252-S256 PolarHBondContact O-OG 3.36Å
253	V	96.1	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-46.6	172.7	175.1	0	0	0	0	110.6	V213 L216 F245 D249 V250 S255 S256 S257 L268	V213-V253 HydrophobicContact CB-CG2 4.32Å; V213-V253 HydrophobicContact CG1-CG2 3.97Å; V213-V253 HydrophobicContact CG2-CG2 3.76Å; L216-V253 HydrophobicContact CD2-CG1 4.01Å; F245-V253 HydrophobicContact CD2-CG2 4.1Å; F245-V253 HydrophobicContact CE2-CG2 3.88Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.06Å; V250-V253 PolarHBondContact O-N 3.26Å; V253-S255 VanDerWaalsContact C-N 3.34Å; V253-S255 PolarHBondContact O-N 2.91Å; V253-S256 WeakPolarHBondContact O-CB 3.42Å; V253-S256 PolarHBondContact O-N 2.98Å; V253-S257 PolarHBondContact O-N 3.39Å; V253-L268 HydrophobicContact CG1-CD1 3.78Å; V253-L268 HydrophobicContact CG1-CD2 3.89Å; V253-L268 HydrophobicContact CG1-CG 3.93Å
254	F	94.9	Very high	90.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-46.2	174.4	-174.5	-121.4	0	0	0	111.9	V250 S256 M258 T269 C272 L273 L276 L291 L292 Y295	V250-F254 VanDerWaalsContact O-CB 3.27Å; V250-F254 WeakPolarHBondContact O-CB 3.31Å; V250-F254 PolarHBondContact O-N 3.16Å; F254-S256 PolarHBondContact O-N 2.97Å; F254-M258 HydrophobicContact CD1-SD 3.96Å; F254-M258 HydrophobicContact CD2-CG 4.43Å; F254-M258 HydrophobicContact CE1-SD 3.52Å; F254-M258 VanDerWaalsContact CE1-SD 3.52Å; F254-M258 HydrophobicContact CE2-CG 4.24Å; F254-M258 HydrophobicContact CE2-SD 4.19Å; F254-M258 HydrophobicContact CG-SD 4.46Å; F254-M258 HydrophobicContact CZ-CG 4.29Å; F254-M258 HydrophobicContact CZ-SD 3.66Å; F254-M258 VanDerWaalsContact O-CB 3.3Å; F254-M258 WeakPolarHBondContact O-CB 3.49Å; F254-M258 VanDerWaalsContact O-CG 3.28Å; F254-M258 WeakPolarHBondContact O-CG 3.47Å; F254-M258 PolarHBondContact O-N 3.32Å; F254-T269 HydrophobicContact CD2-CG2 4.11Å; F254-T269 HydrophobicContact CE2-CG2 3.67Å; F254-C272 HydrophobicContact CB-CB 3.85Å; F254-C272 HydrophobicContact CD2-CB 3.86Å; F254-C272 HydrophobicContact CG-CB 4.25Å; F254-L273 HydrophobicContact CE2-CB 3.94Å; F254-L273 HydrophobicContact CE2-CD1 4.35Å; F254-L273 HydrophobicContact CZ-CB 4.46Å; F254-L273 HydrophobicContact CZ-CD1 4.03Å; F254-L276 HydrophobicContact CB-CD1 3.97Å; F254-L276 HydrophobicContact CD1-CD1 3.6Å; F254-L276 HydrophobicContact CE1-CD1 4.19Å; F254-L276 HydrophobicContact CG-CD1 3.8Å; F254-L291 HydrophobicContact CD1-CD2 3.68Å; F254-L291 HydrophobicContact CD1-CG 3.83Å; F254-L291 HydrophobicContact CE1-CD2 4.37Å; F254-L291 HydrophobicContact CE1-CG 4.01Å; F254-L292 HydrophobicContact CD1-CD2 4.5Å; F254-L292 HydrophobicContact CE1-CD2 3.72Å; F254-L292 HydrophobicContact CE1-CG 4.35Å; F254-L292 HydrophobicContact CZ-CD2 4.08Å; F254-Y295 HydrophobicContact CE2-CD2 4.09Å; F254-Y295 HydrophobicContact CE2-CG 4.43Å; F254-Y295 HydrophobicContact CZ-CD1 4.44Å; F254-Y295 AromaticContact CZ-CD2 3.81Å; F254-Y295 HydrophobicContact CZ-CD2 3.81Å; F254-Y295 AromaticContact CZ-CG 3.73Å; F254-Y295 HydrophobicContact CZ-CG 3.73Å
255	S	94.7	Very high	90	Very high	31 Å²	31	45.2 Å²	45.2	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-30.8	176.2	-164.4	0	0	0	0	113.5	S251 M252 V253 R259	S251-S255 WeakPolarHBondContact O-CB 3.49Å; S251-S255 PolarHBondContact O-N 2.78Å; M252-S255 PolarHBondContact O-N 2.92Å; V253-S255 VanDerWaalsContact C-N 3.34Å; V253-S255 PolarHBondContact O-N 2.91Å; S255-R259 WeakPolarHBondContact O-CB 3.33Å; S255-R259 PolarHBondContact O-N 2.71Å
256	S	94.9	Very high	89.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-79.2	-50.7	-179.5	-50.8	0	0	0	0	111	Y217 M252 V253 F254 M258 R259 L260	Y217-S256 WeakPolarHBondContact CA-OG 3.5Å; Y217-S256 PolarHBondContact N-OG 3.38Å; M252-S256 WeakPolarHBondContact O-CB 3.18Å; M252-S256 PolarHBondContact O-N 2.82Å; M252-S256 PolarHBondContact O-OG 3.36Å; V253-S256 WeakPolarHBondContact O-CB 3.42Å; V253-S256 PolarHBondContact O-N 2.98Å; F254-S256 PolarHBondContact O-N 2.97Å; S256-M258 VanDerWaalsContact C-N 3.33Å; S256-M258 PolarHBondContact O-N 3.24Å; S256-R259 WeakPolarHBondContact O-CB 3.48Å; S256-R259 PolarHBondContact O-N 3.11Å; S256-L260 WeakPolarHBondContact O-CG 3.27Å; S256-L260 PolarHBondContact O-N 3.41Å
257	S	94.1	Very high	89.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-42.3	175.7	-172.2	0	0	0	0	111.1	V253 R259 L260 H261 H266 T269	V253-S257 PolarHBondContact O-N 3.39Å; S257-R259 PolarHBondContact O-N 3.03Å; S257-L260 PolarHBondContact O-N 3.14Å; S257-H261 WeakPolarHBondContact O-CB 3.25Å; S257-H261 PolarHBondContact O-N 3.02Å; S257-H266 PolarHBondContact OG-ND1 3.37Å; S257-T269 WeakPolarHBondContact CB-OG1 3.3Å; S257-T269 PolarHBondContact OG-N 3.32Å; S257-T269 PolarHBondContact OG-OG1 2.94Å
258	M	92	Very high	90.1	Very high	23 Å²	23	44 Å²	44	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-26.9	173.1	-80.7	-175.1	67.2	0	0	114.9	F254 S256 T269 L291 Y295 L298	F254-M258 HydrophobicContact CD1-SD 3.96Å; F254-M258 HydrophobicContact CD2-CG 4.43Å; F254-M258 HydrophobicContact CE1-SD 3.52Å; F254-M258 VanDerWaalsContact CE1-SD 3.52Å; F254-M258 HydrophobicContact CE2-CG 4.24Å; F254-M258 HydrophobicContact CE2-SD 4.19Å; F254-M258 HydrophobicContact CG-SD 4.46Å; F254-M258 HydrophobicContact CZ-CG 4.29Å; F254-M258 HydrophobicContact CZ-SD 3.66Å; F254-M258 VanDerWaalsContact O-CB 3.3Å; F254-M258 WeakPolarHBondContact O-CB 3.49Å; F254-M258 VanDerWaalsContact O-CG 3.28Å; F254-M258 WeakPolarHBondContact O-CG 3.47Å; F254-M258 PolarHBondContact O-N 3.32Å; S256-M258 VanDerWaalsContact C-N 3.33Å; S256-M258 PolarHBondContact O-N 3.24Å; M258-T269 HydrophobicContact CG-CG2 4.2Å; M258-L291 HydrophobicContact CE-CD1 4.13Å; M258-L291 HydrophobicContact SD-CD1 3.6Å; M258-L291 HydrophobicContact SD-CG 4.08Å; M258-Y295 HydrophobicContact CG-CD2 4.43Å; M258-Y295 HydrophobicContact SD-CD2 4.37Å; M258-L298 HydrophobicContact CE-CD1 4.38Å
259	R	91.1	Very high	90.2	Very high	121 Å²	121	37.7 Å²	37.7	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-86.7	-37.3	-179.3	-179.2	-175.5	-66.6	-116.5	5.6	111.6	A220 S255 S256 S257	A220-R259 VanDerWaalsContact C-CD 3.44Å; A220-R259 HydrophobicContact CB-CB 4.41Å; A220-R259 HydrophobicContact CB-CG 4.5Å; A220-R259 WeakPolarHBondContact O-CD 3.41Å; S255-R259 WeakPolarHBondContact O-CB 3.33Å; S255-R259 PolarHBondContact O-N 2.71Å; S256-R259 WeakPolarHBondContact O-CB 3.48Å; S256-R259 PolarHBondContact O-N 3.11Å; S257-R259 PolarHBondContact O-N 3.03Å
260	L	91.3	Very high	90.1	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-33.8	173.8	-68.4	163.1	0	0	0	111.9	L216 A220 V231 E235 S256 S257	L216-L260 HydrophobicContact CD1-CD1 3.75Å; A220-L260 HydrophobicContact CB-CD1 4.03Å; A220-L260 HydrophobicContact CB-CD2 4.09Å; A220-L260 HydrophobicContact CB-CG 3.75Å; V231-L260 HydrophobicContact CG1-CD1 3.64Å; V231-L260 HydrophobicContact CG1-CD2 3.98Å; V231-L260 HydrophobicContact CG1-CG 4.32Å; V231-L260 HydrophobicContact CG2-CD2 3.89Å; E235-L260 HydrophobicContact CG-CD1 4.44Å; S256-L260 WeakPolarHBondContact O-CG 3.27Å; S256-L260 PolarHBondContact O-N 3.41Å; S257-L260 PolarHBondContact O-N 3.14Å
261	H	89	Confident	90.1	Very high	41 Å²	41	39.9 Å²	39.9	19%	0.19	23%	0.227	C	C	.	.	S	Bend	trans	-125.9	66.8	-175.3	-59.4	-81.8	0	0	0	112.5	E235 S257 G263 S264 H266	E235-H261 IonicContact OE1-CD2 3.53Å; E235-H261 PolarHBondContact OE1-CD2 3.48Å; E235-H261 IonicContact OE1-NE2 3.55Å; E235-H261 PolarHBondContact OE1-NE2 3.13Å; E235-H261 IonicContact OE2-CD2 3.57Å; E235-H261 IonicContact OE2-NE2 2.74Å; E235-H261 PolarHBondContact OE2-NE2 3.48Å; S257-H261 WeakPolarHBondContact O-CB 3.25Å; S257-H261 PolarHBondContact O-N 3.02Å; H261-G263 PolarHBondContact O-N 3.14Å; H261-S264 PolarHBondContact O-N 2.79Å; H261-H266 HydrophobicContact CB-CB 3.97Å; H261-H266 AromaticContact CD2-CE1 3.87Å; H261-H266 AromaticContact CD2-CG 3.57Å; H261-H266 AromaticContact CD2-ND1 3.34Å; H261-H266 PolarHBondContact CD2-ND1 3.38Å; H261-H266 VanDerWaalsContact CD2-ND1 3.34Å; H261-H266 AromaticContact CG-CG 3.83Å; H261-H266 AromaticContact NE2-CD2 3.96Å; H261-H266 AromaticContact NE2-CE1 3.07Å; H261-H266 PolarHBondContact NE2-CE1 3.49Å; H261-H266 AromaticContact NE2-CG 3.92Å; H261-H266 AromaticContact NE2-ND1 3.35Å; H261-H266 PolarHBondContact NE2-ND1 2.91Å; H261-H266 AromaticContact NE2-NE2 3.52Å
262	P	82	Confident	90.2	Very high	98 Å²	98	39.5 Å²	39.5	64%	0.636	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	111.6	-177.2	-21.2	34.5	0	0	0	112.5	S264	P262-S264 VanDerWaalsContact C-N 3.31Å; P262-S264 PolarHBondContact O-N 3.02Å
263	G	72.1	Confident	90.1	Very high	48 Å²	48	37.9 Å²	37.9	50%	0.495	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-0.3	174.9	0	0	0	0	0	116.1	H261	H261-G263 PolarHBondContact O-N 3.14Å
264	S	76.8	Confident	89.9	Confident	57 Å²	57	40.7 Å²	40.7	40%	0.399	24%	0.239	S	C	.	.	S	Bend	trans	-88.2	154	173.5	96.5	0	0	0	0	111.7	H261 P262 H266	H261-S264 PolarHBondContact O-N 2.79Å; P262-S264 VanDerWaalsContact C-N 3.31Å; P262-S264 PolarHBondContact O-N 3.02Å; S264-H266 PolarHBondContact O-N 2.74Å
265	Q	81.1	Confident	89.7	Confident	145 Å²	145	42 Å²	42	68%	0.678	25%	0.254	S	S	*	.			trans	-84.1	57.6	176.2	-59.7	-170.9	21.6	0	0	111
266	H	90.3	Very high	89.6	Confident	39 Å²	39	40.6 Å²	40.6	18%	0.181	24%	0.243	C	C	.	.			trans	-64.3	132.7	-179.6	-170.2	-127.1	0	0	0	110.9	E235 S257 H261 S264 L268 T269 E270	E235-H266 VanDerWaalsContact CD-CE1 3.43Å; E235-H266 IonicContact OE1-CE1 2.81Å; E235-H266 PolarHBondContact OE1-CE1 2.82Å; E235-H266 IonicContact OE1-ND1 3.5Å; E235-H266 PolarHBondContact OE1-ND1 3.15Å; E235-H266 IonicContact OE2-CE1 2.95Å; E235-H266 PolarHBondContact OE2-CE1 3.1Å; E235-H266 IonicContact OE2-ND1 2.69Å; E235-H266 IonicContact OE2-NE2 3.83Å; S257-H266 PolarHBondContact OG-ND1 3.37Å; H261-H266 HydrophobicContact CB-CB 3.97Å; H261-H266 AromaticContact CD2-CE1 3.87Å; H261-H266 AromaticContact CD2-CG 3.57Å; H261-H266 AromaticContact CD2-ND1 3.34Å; H261-H266 PolarHBondContact CD2-ND1 3.38Å; H261-H266 VanDerWaalsContact CD2-ND1 3.34Å; H261-H266 AromaticContact CG-CG 3.83Å; H261-H266 AromaticContact NE2-CD2 3.96Å; H261-H266 AromaticContact NE2-CE1 3.07Å; H261-H266 PolarHBondContact NE2-CE1 3.49Å; H261-H266 AromaticContact NE2-CG 3.92Å; H261-H266 AromaticContact NE2-ND1 3.35Å; H261-H266 PolarHBondContact NE2-ND1 2.91Å; H261-H266 AromaticContact NE2-NE2 3.52Å; S264-H266 PolarHBondContact O-N 2.74Å; H266-L268 VanDerWaalsContact C-N 3.26Å; H266-L268 PolarHBondContact O-N 3.05Å; H266-L268 VanDerWaalsContact O-N 3.15Å; H266-T269 WeakPolarHBondContact O-CA 3.43Å; H266-T269 VanDerWaalsContact O-CB 3.3Å; H266-T269 WeakPolarHBondContact O-CB 3.37Å; H266-T269 PolarHBondContact O-N 3.01Å; H266-E270 PolarHBondContact O-N 3.15Å; H266-E270 VanDerWaalsContact O-N 3.11Å
267	P	91.6	Very high	89.4	Confident	87 Å²	87	42.9 Å²	42.9	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-56.9	-33.9	-174.5	-30.4	37.8	0	0	0	114.9	A271	P267-A271 WeakPolarHBondContact O-CB 3.17Å; P267-A271 PolarHBondContact O-N 2.93Å
268	L	93.8	Very high	89.2	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-37.8	174.6	-177.8	60.7	0	0	0	112	L216 E235 Q239 V253 H266 C272	L216-L268 HydrophobicContact CD2-CD2 4.12Å; E235-L268 HydrophobicContact CB-CD2 3.76Å; E235-L268 HydrophobicContact CG-CD2 3.74Å; Q239-L268 HydrophobicContact CB-CD1 4.14Å; Q239-L268 VanDerWaalsContact OE1-CD1 3.24Å; V253-L268 HydrophobicContact CG1-CD1 3.78Å; V253-L268 HydrophobicContact CG1-CD2 3.89Å; V253-L268 HydrophobicContact CG1-CG 3.93Å; H266-L268 VanDerWaalsContact C-N 3.26Å; H266-L268 PolarHBondContact O-N 3.05Å; H266-L268 VanDerWaalsContact O-N 3.15Å; L268-C272 WeakPolarHBondContact O-CB 3.16Å; L268-C272 PolarHBondContact O-N 3.45Å; L268-C272 PolarHBondContact O-SG 3.26Å
269	T	93.4	Very high	89	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-50.5	175	-57.7	0	0	0	0	110.8	F254 S257 M258 H266 C272 L273 Y295	F254-T269 HydrophobicContact CD2-CG2 4.11Å; F254-T269 HydrophobicContact CE2-CG2 3.67Å; S257-T269 WeakPolarHBondContact CB-OG1 3.3Å; S257-T269 PolarHBondContact OG-N 3.32Å; S257-T269 PolarHBondContact OG-OG1 2.94Å; M258-T269 HydrophobicContact CG-CG2 4.2Å; H266-T269 WeakPolarHBondContact O-CA 3.43Å; H266-T269 VanDerWaalsContact O-CB 3.3Å; H266-T269 WeakPolarHBondContact O-CB 3.37Å; H266-T269 PolarHBondContact O-N 3.01Å; T269-C272 PolarHBondContact O-N 2.75Å; T269-L273 VanDerWaalsContact O-CB 3.28Å; T269-L273 WeakPolarHBondContact O-CB 3.33Å; T269-L273 PolarHBondContact O-N 3.08Å; T269-Y295 HydrophobicContact CG2-CD2 3.98Å; T269-Y295 HydrophobicContact CG2-CE2 3.68Å
270	E	92.5	Very high	89	Confident	50 Å²	50	48 Å²	48	23%	0.234	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-34.8	-179	-58.4	-58.9	113.7	0	0	112.2	H266 L273 A274 Y295 K299	H266-E270 PolarHBondContact O-N 3.15Å; H266-E270 VanDerWaalsContact O-N 3.11Å; E270-L273 PolarHBondContact O-N 2.89Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.31Å; E270-Y295 PolarHBondContact OE1-OH 2.85Å; E270-Y295 PolarHBondContact OE2-OH 2.61Å; E270-Y295 VanDerWaalsContact OE2-OH 3.13Å; E270-K299 IonicContact OE1-NZ 2.76Å; E270-K299 IonicContact OE2-NZ 3.24Å; E270-K299 PolarHBondContact OE2-NZ 3.15Å
271	A	93.6	Very high	88.8	Confident	28 Å²	28	53.6 Å²	53.6	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-43.3	175.5	0	0	0	0	0	112.2	L242 P267 A274 G275	L242-A271 HydrophobicContact CD2-CB 3.65Å; P267-A271 WeakPolarHBondContact O-CB 3.17Å; P267-A271 PolarHBondContact O-N 2.93Å; A271-A274 PolarHBondContact O-N 2.93Å; A271-G275 PolarHBondContact O-N 3.04Å
272	C	94.2	Very high	88.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-43.3	172.7	-66.8	0	0	0	0	111.4	V250 F254 L268 T269 A274 G275 L276	V250-C272 HydrophobicContact CG1-CB 4.06Å; F254-C272 HydrophobicContact CB-CB 3.85Å; F254-C272 HydrophobicContact CD2-CB 3.86Å; F254-C272 HydrophobicContact CG-CB 4.25Å; L268-C272 WeakPolarHBondContact O-CB 3.16Å; L268-C272 PolarHBondContact O-N 3.45Å; L268-C272 PolarHBondContact O-SG 3.26Å; T269-C272 PolarHBondContact O-N 2.75Å; C272-A274 VanDerWaalsContact C-N 3.34Å; C272-A274 PolarHBondContact O-N 2.76Å; C272-G275 PolarHBondContact O-N 3.35Å; C272-G275 VanDerWaalsContact O-N 3.15Å; C272-L276 WeakPolarHBondContact O-CG 3.34Å; C272-L276 PolarHBondContact O-N 3.48Å
273	L	93.1	Very high	89.2	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-56.3	-46.6	176.3	178.6	70.3	0	0	0	111.6	F254 T269 E270 G275 L276 E277 L292 Y295	F254-L273 HydrophobicContact CE2-CB 3.94Å; F254-L273 HydrophobicContact CE2-CD1 4.35Å; F254-L273 HydrophobicContact CZ-CB 4.46Å; F254-L273 HydrophobicContact CZ-CD1 4.03Å; T269-L273 VanDerWaalsContact O-CB 3.28Å; T269-L273 WeakPolarHBondContact O-CB 3.33Å; T269-L273 PolarHBondContact O-N 3.08Å; E270-L273 PolarHBondContact O-N 2.89Å; L273-G275 VanDerWaalsContact C-N 3.28Å; L273-G275 PolarHBondContact O-N 2.97Å; L273-L276 PolarHBondContact O-N 2.97Å; L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 HydrophobicContact CG-CG 4.21Å; L273-E277 WeakPolarHBondContact CG-OE1 3.24Å; L273-E277 WeakPolarHBondContact O-CB 3.26Å; L273-E277 WeakPolarHBondContact O-CG 3.47Å; L273-E277 PolarHBondContact O-N 3.42Å; L273-L292 HydrophobicContact CD1-CD2 3.73Å; L273-Y295 HydrophobicContact CD1-CD1 4.09Å; L273-Y295 HydrophobicContact CD1-CE1 4.09Å; L273-Y295 HydrophobicContact CD2-CD1 4.3Å; L273-Y295 HydrophobicContact CD2-CE1 3.48Å; L273-Y295 VanDerWaalsContact CD2-CE1 3.48Å; L273-Y295 HydrophobicContact CD2-CE2 4.44Å; L273-Y295 WeakPolarHBondContact CD2-OH 3.48Å; L273-Y295 HydrophobicContact CG-CE1 4.42Å
274	A	92.2	Very high	90.1	Very high	58 Å²	58	64.3 Å²	64.3	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-37	178.3	0	0	0	0	0	112.5	E270 A271 C272 K278	E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.31Å; A271-A274 PolarHBondContact O-N 2.93Å; C272-A274 VanDerWaalsContact C-N 3.34Å; C272-A274 PolarHBondContact O-N 2.76Å; A274-K278 WeakPolarHBondContact O-CB 3.43Å; A274-K278 PolarHBondContact O-N 2.97Å
275	G	90.9	Very high	90.7	Very high	29 Å²	29	66.3 Å²	66.3	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-46	172.3	0	0	0	0	0	113	A271 C272 L273 K278 N279	A271-G275 PolarHBondContact O-N 3.04Å; C272-G275 PolarHBondContact O-N 3.35Å; C272-G275 VanDerWaalsContact O-N 3.15Å; L273-G275 VanDerWaalsContact C-N 3.28Å; L273-G275 PolarHBondContact O-N 2.97Å; G275-K278 PolarHBondContact O-N 2.82Å; G275-N279 PolarHBondContact O-N 3.1Å
276	L	91.7	Very high	91.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-41.2	179.6	-65.2	174.7	0	0	0	112.3	V250 F254 C272 L273 K278 N279 L280 T288 L292	V250-L276 HydrophobicContact CB-CD2 4.43Å; V250-L276 HydrophobicContact CG1-CD2 3.94Å; V250-L276 HydrophobicContact CG1-CG 3.94Å; F254-L276 HydrophobicContact CB-CD1 3.97Å; F254-L276 HydrophobicContact CD1-CD1 3.6Å; F254-L276 HydrophobicContact CE1-CD1 4.19Å; F254-L276 HydrophobicContact CG-CD1 3.8Å; C272-L276 WeakPolarHBondContact O-CG 3.34Å; C272-L276 PolarHBondContact O-N 3.48Å; L273-L276 PolarHBondContact O-N 2.97Å; L276-K278 PolarHBondContact O-N 3.09Å; L276-N279 CarbonylContact O-C 3.23Å; L276-N279 PolarHBondContact O-N 2.76Å; L276-L280 WeakPolarHBondContact O-CA 3.33Å; L276-L280 PolarHBondContact O-N 2.7Å; L276-T288 HydrophobicContact CD2-CG2 4.36Å; L276-L292 HydrophobicContact CB-CD1 4.42Å; L276-L292 HydrophobicContact CB-CD2 4.08Å; L276-L292 HydrophobicContact CD1-CD2 4.04Å
277	E	91.4	Very high	91.2	Very high	49 Å²	49	64.5 Å²	64.5	23%	0.229	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-44.7	174.6	-79.5	-176.9	-160.3	0	0	112	L273 N279 L280 Y296 K330	L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 HydrophobicContact CG-CG 4.21Å; L273-E277 WeakPolarHBondContact CG-OE1 3.24Å; L273-E277 WeakPolarHBondContact O-CB 3.26Å; L273-E277 WeakPolarHBondContact O-CG 3.47Å; L273-E277 PolarHBondContact O-N 3.42Å; E277-N279 VanDerWaalsContact C-N 3.27Å; E277-N279 PolarHBondContact O-N 3.32Å; E277-L280 VanDerWaalsContact O-CB 3.32Å; E277-L280 WeakPolarHBondContact O-CB 3.43Å; E277-L280 PolarHBondContact O-N 3.27Å; E277-Y296 PolarHBondContact OE1-OH 3.17Å; E277-K330 IonicContact OE1-NZ 3.48Å; E277-K330 PolarHBondContact OE1-NZ 3.49Å; E277-K330 VanDerWaalsContact OE2-CE 3.26Å; E277-K330 WeakPolarHBondContact OE2-CE 3.34Å; E277-K330 IonicContact OE2-NZ 3.43Å; E277-K330 PolarHBondContact OE2-NZ 2.75Å
278	K	89.7	Confident	91.3	Very high	182 Å²	182	60.7 Å²	60.7	79%	0.791	29%	0.292	S	S	*	.	H	α-helix	trans	-63	-33.5	178.5	-176.5	177.3	179.3	179.9	0	112.4	A274 G275 L276	A274-K278 WeakPolarHBondContact O-CB 3.43Å; A274-K278 PolarHBondContact O-N 2.97Å; G275-K278 PolarHBondContact O-N 2.82Å; L276-K278 PolarHBondContact O-N 3.09Å
279	N	86.9	Confident	91.4	Very high	57 Å²	57	60.5 Å²	60.5	31%	0.305	29%	0.291	S	S	.	.	H	α-helix	trans	-95.5	1.2	179.5	-73.3	-18.3	0	0	0	114.1	Q247 G275 L276 E277 E281 R282 E283	Q247-N279 PolarHBondContact OE1-ND2 3.29Å; G275-N279 PolarHBondContact O-N 3.1Å; L276-N279 CarbonylContact O-C 3.23Å; L276-N279 PolarHBondContact O-N 2.76Å; E277-N279 VanDerWaalsContact C-N 3.27Å; E277-N279 PolarHBondContact O-N 3.32Å; N279-E281 VanDerWaalsContact C-N 3.29Å; N279-E281 PolarHBondContact O-N 2.97Å; N279-E281 VanDerWaalsContact O-N 3.1Å; N279-R282 WeakPolarHBondContact O-CA 3.44Å; N279-R282 WeakPolarHBondContact O-CB 3.45Å; N279-R282 PolarHBondContact O-N 3.04Å; N279-E283 PolarHBondContact O-N 3.21Å
280	L	90.9	Very high	91.4	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.058	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-50.8	-43	-168	176.8	60.2	0	0	0	113.9	L276 E277 R282 E283 L289 L292 R333 L334 H337	L276-L280 WeakPolarHBondContact O-CA 3.33Å; L276-L280 PolarHBondContact O-N 2.7Å; E277-L280 VanDerWaalsContact O-CB 3.32Å; E277-L280 WeakPolarHBondContact O-CB 3.43Å; E277-L280 PolarHBondContact O-N 3.27Å; L280-R282 PolarHBondContact O-N 2.76Å; L280-R282 VanDerWaalsContact O-N 3.14Å; L280-E283 WeakPolarHBondContact O-CB 3.37Å; L280-E283 PolarHBondContact O-N 3.1Å; L280-L289 HydrophobicContact CD1-CD2 3.79Å; L280-L292 HydrophobicContact CD1-CD1 4.34Å; L280-R333 HydrophobicContact CD2-CG 4.09Å; L280-L334 HydrophobicContact CD1-CD1 3.65Å; L280-L334 HydrophobicContact CD2-CD1 4.46Å; L280-H337 PolarHBondContact O-CD2 3.42Å; L280-H337 PolarHBondContact O-CE1 3.34Å; L280-H337 PolarHBondContact O-NE2 2.9Å
281	E	88.6	Confident	91.5	Very high	134 Å²	134	59.7 Å²	59.7	63%	0.626	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19.2	-179.2	-66.3	170.7	-164.3	0	0	113.7	N279 R333	N279-E281 VanDerWaalsContact C-N 3.29Å; N279-E281 PolarHBondContact O-N 2.97Å; N279-E281 VanDerWaalsContact O-N 3.1Å; E281-R333 IonicContact OE1-CZ 2.81Å; E281-R333 IonicContact OE1-NH1 3.11Å; E281-R333 PolarHBondContact OE1-NH1 3.05Å; E281-R333 IonicContact OE1-NH2 3.89Å; E281-R333 PolarHBondContact OE1-NH2 3.27Å
282	R	88.4	Confident	91.5	Very high	209 Å²	209	58.5 Å²	58.5	79%	0.789	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-94.1	-19.1	174.9	-59.8	178.9	176.3	-176.6	-2.8	112.7	N279 L280	N279-R282 WeakPolarHBondContact O-CA 3.44Å; N279-R282 WeakPolarHBondContact O-CB 3.45Å; N279-R282 PolarHBondContact O-N 3.04Å; L280-R282 PolarHBondContact O-N 2.76Å; L280-R282 VanDerWaalsContact O-N 3.14Å
283	E	90.8	Very high	91.6	Very high	16 Å²	16	58.5 Å²	58.5	8%	0.075	28%	0.278	C	S	.	.			trans	-72.6	131.9	-178.9	-172.9	53.5	-93.6	0	0	110.3	Q247 N279 L280 H285 T288 L289 H337	Q247-E283 VanDerWaalsContact CG-OE2 3.24Å; Q247-E283 WeakPolarHBondContact CG-OE2 3.47Å; Q247-E283 PolarHBondContact NE2-OE2 2.98Å; N279-E283 PolarHBondContact O-N 3.21Å; L280-E283 WeakPolarHBondContact O-CB 3.37Å; L280-E283 PolarHBondContact O-N 3.1Å; E283-H285 VanDerWaalsContact OE1-CB 3.24Å; E283-H285 WeakPolarHBondContact OE1-CB 3.46Å; E283-H285 PolarHBondContact OE1-N 3.43Å; E283-T288 HydrophobicContact CG-CG2 3.86Å; E283-L289 HydrophobicContact CB-CD2 4.14Å; E283-L289 HydrophobicContact CG-CD2 3.77Å; E283-L289 HydrophobicContact CG-CG 4.19Å; E283-H337 PolarHBondContact O-NE2 3.48Å
284	R	89.6	Confident	91.7	Very high	188 Å²	188	59.8 Å²	59.8	71%	0.709	29%	0.287	S	S	*	.			trans	-135.5	-6.1	179	-63.8	-174.8	-176.1	175.3	0.7	112.8	P286	R284-P286 VanDerWaalsContact O-CD 3.3Å; R284-P286 WeakPolarHBondContact O-CD 3.47Å
285	H	90.6	Very high	91.7	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.458	27%	0.268	S	S	.	.			trans	-76.1	113.3	-178.1	-167.3	-111.3	0	0	0	109.5	E283 Q287 T288 L289	E283-H285 VanDerWaalsContact OE1-CB 3.24Å; E283-H285 WeakPolarHBondContact OE1-CB 3.46Å; E283-H285 PolarHBondContact OE1-N 3.43Å; H285-Q287 VanDerWaalsContact C-N 3.26Å; H285-Q287 PolarHBondContact CE1-OE1 3.09Å; H285-Q287 PolarHBondContact ND1-OE1 3.25Å; H285-Q287 PolarHBondContact NE2-OE1 3.15Å; H285-Q287 PolarHBondContact O-N 3.18Å; H285-Q287 VanDerWaalsContact O-N 3.15Å; H285-T288 PolarHBondContact O-N 2.92Å; H285-L289 PolarHBondContact O-N 3.23Å
286	P	91.6	Very high	91.9	Very high	40 Å²	40	57 Å²	57	26%	0.26	26%	0.255	S	S	.	.	H	α-helix	trans	-55.7	-40.3	-170.1	-27.5	35.4	0	0	0	113.1	R284 T288 L289 F290 V342	R284-P286 VanDerWaalsContact O-CD 3.3Å; R284-P286 WeakPolarHBondContact O-CD 3.47Å; P286-T288 VanDerWaalsContact C-N 3.26Å; P286-T288 PolarHBondContact O-N 3.38Å; P286-L289 PolarHBondContact O-N 2.98Å; P286-L289 VanDerWaalsContact O-N 3.1Å; P286-F290 HydrophobicContact CB-CD2 4.45Å; P286-F290 VanDerWaalsContact O-CD2 3.27Å; P286-F290 WeakPolarHBondContact O-CD2 3.11Å; P286-F290 PolarHBondContact O-N 3.33Å; P286-V342 HydrophobicContact CB-CG1 4.07Å; P286-V342 HydrophobicContact CB-CG2 4.16Å; P286-V342 HydrophobicContact CG-CG1 3.97Å; P286-V342 HydrophobicContact CG-CG2 4.12Å
287	Q	90.8	Very high	91.9	Very high	105 Å²	105	59.7 Å²	59.7	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-33.1	-179.7	-62.6	82.8	-13.2	0	0	112.3	H285 L291	H285-Q287 VanDerWaalsContact C-N 3.26Å; H285-Q287 PolarHBondContact CE1-OE1 3.09Å; H285-Q287 PolarHBondContact ND1-OE1 3.25Å; H285-Q287 PolarHBondContact NE2-OE1 3.15Å; H285-Q287 PolarHBondContact O-N 3.18Å; H285-Q287 VanDerWaalsContact O-N 3.15Å; Q287-L291 WeakPolarHBondContact O-CB 3.21Å; Q287-L291 PolarHBondContact O-N 3.25Å
288	T	92.6	Very high	91.9	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-73.2	-40.9	175.5	-54.8	0	0	0	0	111	S251 L276 E283 H285 P286 L291 L292	S251-T288 VanDerWaalsContact OG-CG2 3.25Å; S251-T288 WeakPolarHBondContact OG-CG2 3.22Å; S251-T288 PolarHBondContact OG-OG1 3.41Å; L276-T288 HydrophobicContact CD2-CG2 4.36Å; E283-T288 HydrophobicContact CG-CG2 3.86Å; H285-T288 PolarHBondContact O-N 2.92Å; P286-T288 VanDerWaalsContact C-N 3.26Å; P286-T288 PolarHBondContact O-N 3.38Å; T288-L291 PolarHBondContact O-N 2.76Å; T288-L292 HydrophobicContact CG2-CD1 4.46Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.16Å
289	L	95.1	Very high	91.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-42.2	178.2	-60.6	176.5	0	0	0	111.7	L280 E283 H285 P286 L292 L293 L334 T338 V342	L280-L289 HydrophobicContact CD1-CD2 3.79Å; E283-L289 HydrophobicContact CB-CD2 4.14Å; E283-L289 HydrophobicContact CG-CD2 3.77Å; E283-L289 HydrophobicContact CG-CG 4.19Å; H285-L289 PolarHBondContact O-N 3.23Å; P286-L289 PolarHBondContact O-N 2.98Å; P286-L289 VanDerWaalsContact O-N 3.1Å; L289-L292 PolarHBondContact O-N 3.47Å; L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 2.66Å; L289-L334 HydrophobicContact CD2-CD1 4.03Å; L289-T338 HydrophobicContact CB-CG2 4.27Å; L289-V342 HydrophobicContact CD1-CG2 3.89Å
290	F	95.3	Very high	92	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-73.3	-25.9	174.9	-77	-71.4	0	0	0	113.9	P286 L293 S294 T338 V345 E349 L352 L353	P286-F290 HydrophobicContact CB-CD2 4.45Å; P286-F290 VanDerWaalsContact O-CD2 3.27Å; P286-F290 WeakPolarHBondContact O-CD2 3.11Å; P286-F290 PolarHBondContact O-N 3.33Å; F290-L293 HydrophobicContact CD1-CD1 3.64Å; F290-L293 HydrophobicContact CE1-CD1 3.66Å; F290-L293 HydrophobicContact CG-CD1 4.4Å; F290-L293 HydrophobicContact CZ-CD1 4.42Å; F290-S294 WeakPolarHBondContact O-CB 3.35Å; F290-S294 PolarHBondContact O-N 3.19Å; F290-S294 PolarHBondContact O-OG 3.39Å; F290-T338 HydrophobicContact CE2-CG2 3.93Å; F290-T338 HydrophobicContact CZ-CG2 3.81Å; F290-V345 HydrophobicContact CE2-CB 4.18Å; F290-V345 HydrophobicContact CE2-CG1 3.49Å; F290-V345 VanDerWaalsContact CE2-CG1 3.49Å; F290-V345 HydrophobicContact CZ-CB 4.26Å; F290-V345 HydrophobicContact CZ-CG1 3.74Å; F290-V345 HydrophobicContact CZ-CG2 4.33Å; F290-E349 HydrophobicContact CB-CG 4.48Å; F290-E349 HydrophobicContact CD1-CB 3.9Å; F290-E349 HydrophobicContact CD1-CG 4.12Å; F290-E349 HydrophobicContact CD2-CB 4.31Å; F290-E349 HydrophobicContact CD2-CG 4.26Å; F290-E349 HydrophobicContact CE1-CB 3.81Å; F290-E349 WeakPolarHBondContact CE1-O 3.3Å; F290-E349 HydrophobicContact CE2-CB 4.26Å; F290-E349 HydrophobicContact CG-CB 4.17Å; F290-E349 HydrophobicContact CG-CG 4Å; F290-E349 HydrophobicContact CZ-CB 4.01Å; F290-L352 HydrophobicContact CD1-CD2 4.1Å; F290-L353 HydrophobicContact CE1-CB 4.22Å; F290-L353 HydrophobicContact CZ-CD2 4.49Å
291	L	93.3	Very high	92	Very high	28 Å²	28	57.8 Å²	57.8	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-45.2	168.4	179.1	64.5	0	0	0	111.3	S251 F254 M258 Q287 T288 S294 Y295	S251-L291 WeakPolarHBondContact O-CD2 3.28Å; F254-L291 HydrophobicContact CD1-CD2 3.68Å; F254-L291 HydrophobicContact CD1-CG 3.83Å; F254-L291 HydrophobicContact CE1-CD2 4.37Å; F254-L291 HydrophobicContact CE1-CG 4.01Å; M258-L291 HydrophobicContact CE-CD1 4.13Å; M258-L291 HydrophobicContact SD-CD1 3.6Å; M258-L291 HydrophobicContact SD-CG 4.08Å; Q287-L291 WeakPolarHBondContact O-CB 3.21Å; Q287-L291 PolarHBondContact O-N 3.25Å; T288-L291 PolarHBondContact O-N 2.76Å; L291-S294 WeakPolarHBondContact O-CB 3.39Å; L291-S294 PolarHBondContact O-N 3.19Å; L291-Y295 PolarHBondContact O-N 2.94Å
292	L	94.9	Very high	91.9	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-45	173	-70.8	165.6	0	0	0	111.3	F254 L273 L276 L280 T288 L289 S294 Y295 Y296 L334	F254-L292 HydrophobicContact CD1-CD2 4.5Å; F254-L292 HydrophobicContact CE1-CD2 3.72Å; F254-L292 HydrophobicContact CE1-CG 4.35Å; F254-L292 HydrophobicContact CZ-CD2 4.08Å; L273-L292 HydrophobicContact CD1-CD2 3.73Å; L276-L292 HydrophobicContact CB-CD1 4.42Å; L276-L292 HydrophobicContact CB-CD2 4.08Å; L276-L292 HydrophobicContact CD1-CD2 4.04Å; L280-L292 HydrophobicContact CD1-CD1 4.34Å; T288-L292 HydrophobicContact CG2-CD1 4.46Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.16Å; L289-L292 PolarHBondContact O-N 3.47Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 2.53Å; L292-Y295 WeakPolarHBondContact O-CB 3.22Å; L292-Y295 PolarHBondContact O-N 2.98Å; L292-Y295 VanDerWaalsContact O-N 3.17Å; L292-Y296 WeakPolarHBondContact O-CD2 3.28Å; L292-Y296 PolarHBondContact O-N 2.88Å; L292-L334 HydrophobicContact CB-CD1 4.13Å; L292-L334 HydrophobicContact CB-CD2 3.54Å; L292-L334 HydrophobicContact CD1-CD1 4.21Å
293	L	95.6	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-37.8	174.8	-72.3	166.8	0	0	0	111.5	L289 F290 Y296 R297 L334 V335 T338 L352 L353 M356	L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 2.66Å; F290-L293 HydrophobicContact CD1-CD1 3.64Å; F290-L293 HydrophobicContact CE1-CD1 3.66Å; F290-L293 HydrophobicContact CG-CD1 4.4Å; F290-L293 HydrophobicContact CZ-CD1 4.42Å; L293-Y296 PolarHBondContact O-N 3.01Å; L293-R297 WeakPolarHBondContact O-CB 3.41Å; L293-R297 PolarHBondContact O-N 3.02Å; L293-L334 HydrophobicContact CB-CD2 4.41Å; L293-L334 HydrophobicContact CD2-CD2 3.69Å; L293-L334 HydrophobicContact CD2-CG 3.83Å; L293-L334 HydrophobicContact CG-CD2 3.73Å; L293-L334 HydrophobicContact CG-CG 3.99Å; L293-V335 HydrophobicContact CD2-CG2 3.72Å; L293-T338 HydrophobicContact CD1-CG2 4.23Å; L293-L352 HydrophobicContact CB-CD1 4.5Å; L293-L352 HydrophobicContact CB-CD2 4.07Å; L293-L352 HydrophobicContact CB-CG 4.2Å; L293-L353 HydrophobicContact CD1-CD1 4.1Å; L293-M356 HydrophobicContact CB-CG 4.36Å; L293-M356 HydrophobicContact CD2-CB 3.86Å; L293-M356 HydrophobicContact CD2-CG 3.89Å
294	S	94.3	Very high	91.1	Very high	31 Å²	31	49.2 Å²	49.2	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-38.3	175.8	-63.3	0	0	0	0	112.7	F290 L291 L292 L298 L352	F290-S294 WeakPolarHBondContact O-CB 3.35Å; F290-S294 PolarHBondContact O-N 3.19Å; F290-S294 PolarHBondContact O-OG 3.39Å; L291-S294 WeakPolarHBondContact O-CB 3.39Å; L291-S294 PolarHBondContact O-N 3.19Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 2.53Å; S294-L298 PolarHBondContact O-N 3.09Å; S294-L352 VanDerWaalsContact OG-CD2 3.32Å; S294-L352 WeakPolarHBondContact OG-CD2 3.46Å
295	Y	93.8	Very high	90.2	Very high	17 Å²	17	47.7 Å²	47.7	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-51.3	172.7	168.9	-89.1	0	0	0	111.2	F254 M258 T269 E270 L273 L291 L292 R297 L298 K299	F254-Y295 HydrophobicContact CE2-CD2 4.09Å; F254-Y295 HydrophobicContact CE2-CG 4.43Å; F254-Y295 HydrophobicContact CZ-CD1 4.44Å; F254-Y295 AromaticContact CZ-CD2 3.81Å; F254-Y295 HydrophobicContact CZ-CD2 3.81Å; F254-Y295 AromaticContact CZ-CG 3.73Å; F254-Y295 HydrophobicContact CZ-CG 3.73Å; M258-Y295 HydrophobicContact CG-CD2 4.43Å; M258-Y295 HydrophobicContact SD-CD2 4.37Å; T269-Y295 HydrophobicContact CG2-CD2 3.98Å; T269-Y295 HydrophobicContact CG2-CE2 3.68Å; E270-Y295 PolarHBondContact OE1-OH 2.85Å; E270-Y295 PolarHBondContact OE2-OH 2.61Å; E270-Y295 VanDerWaalsContact OE2-OH 3.13Å; L273-Y295 HydrophobicContact CD1-CD1 4.09Å; L273-Y295 HydrophobicContact CD1-CE1 4.09Å; L273-Y295 HydrophobicContact CD2-CD1 4.3Å; L273-Y295 HydrophobicContact CD2-CE1 3.48Å; L273-Y295 VanDerWaalsContact CD2-CE1 3.48Å; L273-Y295 HydrophobicContact CD2-CE2 4.44Å; L273-Y295 WeakPolarHBondContact CD2-OH 3.48Å; L273-Y295 HydrophobicContact CG-CE1 4.42Å; L291-Y295 PolarHBondContact O-N 2.94Å; L292-Y295 WeakPolarHBondContact O-CB 3.22Å; L292-Y295 PolarHBondContact O-N 2.98Å; L292-Y295 VanDerWaalsContact O-N 3.17Å; Y295-R297 VanDerWaalsContact C-N 3.25Å; Y295-R297 PolarHBondContact O-N 2.87Å; Y295-L298 WeakPolarHBondContact O-CB 3.33Å; Y295-L298 PolarHBondContact O-N 3.42Å; Y295-K299 HydrophobicContact CE1-CB 4.48Å; Y295-K299 HydrophobicContact CE1-CD 3.8Å; Y295-K299 PolarHBondContact O-N 3.42Å; Y295-K299 WeakPolarHBondContact OH-CD 3.4Å; Y295-K299 PolarHBondContact OH-NZ 3.13Å
296	Y	93.6	Very high	88.7	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-34.2	-179.1	-77.7	-69.7	0	0	0	112.2	E277 L292 L293 L298 K299 W300 T327 K330 I331 L334	E277-Y296 PolarHBondContact OE1-OH 3.17Å; L292-Y296 WeakPolarHBondContact O-CD2 3.28Å; L292-Y296 PolarHBondContact O-N 2.88Å; L293-Y296 PolarHBondContact O-N 3.01Å; Y296-L298 VanDerWaalsContact C-N 3.34Å; Y296-L298 PolarHBondContact O-N 2.92Å; Y296-K299 PolarHBondContact O-N 3.3Å; Y296-W300 WeakPolarHBondContact O-CB 3.41Å; Y296-W300 PolarHBondContact O-N 2.79Å; Y296-T327 HydrophobicContact CD1-CG2 4.25Å; Y296-K330 HydrophobicContact CD1-CB 4.49Å; Y296-K330 HydrophobicContact CE1-CB 3.62Å; Y296-K330 HydrophobicContact CE1-CD 3.98Å; Y296-K330 HydrophobicContact CE1-CG 4.43Å; Y296-I331 HydrophobicContact CD1-CG1 4.09Å; Y296-I331 HydrophobicContact CG-CG1 3.96Å; Y296-L334 HydrophobicContact CD2-CD2 3.56Å; Y296-L334 HydrophobicContact CE2-CD2 3.8Å
297	R	93.3	Very high	87	Confident	58 Å²	58	49.3 Å²	49.3	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-42.5	171.6	-178.8	177.6	61.3	176.9	-1.8	112.8	L293 Y295 R301 L352 E355 M356	L293-R297 WeakPolarHBondContact O-CB 3.41Å; L293-R297 PolarHBondContact O-N 3.02Å; Y295-R297 VanDerWaalsContact C-N 3.25Å; Y295-R297 PolarHBondContact O-N 2.87Å; R297-R301 WeakPolarHBondContact O-CB 3.46Å; R297-R301 VanDerWaalsContact O-CG 3.27Å; R297-R301 WeakPolarHBondContact O-CG 3.25Å; R297-R301 PolarHBondContact O-N 3.01Å; R297-L352 HydrophobicContact CB-CD1 4.11Å; R297-L352 HydrophobicContact CG-CD1 4.46Å; R297-E355 VanDerWaalsContact CD-CD 3.42Å; R297-E355 WeakPolarHBondContact CD-OE1 3.45Å; R297-E355 WeakPolarHBondContact CD-OE2 3.37Å; R297-E355 VanDerWaalsContact CG-OE1 3.29Å; R297-E355 WeakPolarHBondContact CG-OE1 3.37Å; R297-E355 IonicContact NH1-OE2 2.74Å; R297-M356 HydrophobicContact CB-CE 3.63Å; R297-M356 HydrophobicContact CB-SD 3.83Å; R297-M356 HydrophobicContact CG-CE 3.81Å
298	L	91	Very high	84.8	Confident	68 Å²	68	49.3 Å²	49.3	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-47.3	177.1	-66.8	172.8	0	0	0	110.7	M258 S294 Y295 Y296 W300 R301 S302	M258-L298 HydrophobicContact CE-CD1 4.38Å; S294-L298 PolarHBondContact O-N 3.09Å; Y295-L298 WeakPolarHBondContact O-CB 3.33Å; Y295-L298 PolarHBondContact O-N 3.42Å; Y296-L298 VanDerWaalsContact C-N 3.34Å; Y296-L298 PolarHBondContact O-N 2.92Å; L298-W300 PolarHBondContact O-N 2.98Å; L298-R301 PolarHBondContact O-N 2.93Å; L298-S302 WeakPolarHBondContact O-CB 3.13Å; L298-S302 PolarHBondContact O-N 2.78Å
299	K	89.3	Confident	82.5	Confident	52 Å²	52	54.3 Å²	54.3	23%	0.226	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-43.9	177.4	-161.3	159.7	-164	159	0	111.9	E270 Y295 Y296 S302 L303	E270-K299 IonicContact OE1-NZ 2.76Å; E270-K299 IonicContact OE2-NZ 3.24Å; E270-K299 PolarHBondContact OE2-NZ 3.15Å; Y295-K299 HydrophobicContact CE1-CB 4.48Å; Y295-K299 HydrophobicContact CE1-CD 3.8Å; Y295-K299 PolarHBondContact O-N 3.42Å; Y295-K299 WeakPolarHBondContact OH-CD 3.4Å; Y295-K299 PolarHBondContact OH-NZ 3.13Å; Y296-K299 PolarHBondContact O-N 3.3Å; K299-S302 PolarHBondContact O-N 3.04Å; K299-L303 WeakPolarHBondContact O-CG 3.49Å; K299-L303 PolarHBondContact O-N 3.02Å
300	W	89.8	Confident	79.8	Confident	25 Å²	25	59.8 Å²	59.8	10%	0.095	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176.9	-179.8	-110.2	0	0	0	113.3	Y296 L298 Q304 Q324 T327 N328 I331 A359	Y296-W300 WeakPolarHBondContact O-CB 3.41Å; Y296-W300 PolarHBondContact O-N 2.79Å; L298-W300 PolarHBondContact O-N 2.98Å; W300-Q304 VanDerWaalsContact CD1-NE2 3.26Å; W300-Q304 PolarHBondContact O-N 2.92Å; W300-Q304 PolarHBondContact O-NE2 3.04Å; W300-Q324 HydrophobicContact CE3-CG 4.12Å; W300-Q324 HydrophobicContact CH2-CG 3.56Å; W300-Q324 HydrophobicContact CZ3-CB 4.45Å; W300-Q324 HydrophobicContact CZ3-CG 3.22Å; W300-T327 HydrophobicContact CE3-CG2 4.3Å; W300-N328 WeakPolarHBondContact CH2-ND2 3.18Å; W300-N328 WeakPolarHBondContact CH2-OD1 3.29Å; W300-N328 HydrophobicContact CZ3-CB 4.3Å; W300-N328 WeakPolarHBondContact CZ3-OD1 3.28Å; W300-I331 HydrophobicContact CB-CD1 4.3Å; W300-I331 HydrophobicContact CD2-CD1 4.4Å; W300-I331 HydrophobicContact CE3-CD1 4.2Å; W300-I331 HydrophobicContact CG-CD1 4.44Å; W300-A359 HydrophobicContact CD2-CB 4.05Å; W300-A359 HydrophobicContact CG-CB 4.34Å; W300-A359 HydrophobicContact CZ2-CB 4.02Å
301	R	90.1	Very high	77.2	Confident	115 Å²	115	61.8 Å²	61.8	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-39.5	175.7	-70.9	173.2	179.6	-151.1	3.7	111.5	R297 L298 L303 Q304 M305 E355	R297-R301 WeakPolarHBondContact O-CB 3.46Å; R297-R301 VanDerWaalsContact O-CG 3.27Å; R297-R301 WeakPolarHBondContact O-CG 3.25Å; R297-R301 PolarHBondContact O-N 3.01Å; L298-R301 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact C-N 3.34Å; R301-L303 PolarHBondContact O-N 3.34Å; R301-Q304 PolarHBondContact O-N 3.09Å; R301-M305 WeakPolarHBondContact O-CG 3.27Å; R301-M305 PolarHBondContact O-N 3.09Å; R301-M305 VanDerWaalsContact O-N 3.09Å; R301-E355 IonicContact CZ-OE1 2.83Å; R301-E355 VanDerWaalsContact CZ-OE1 3.23Å; R301-E355 IonicContact NE-OE1 3.55Å; R301-E355 PolarHBondContact NE-OE1 3.38Å; R301-E355 VanDerWaalsContact NH2-CD 3.26Å; R301-E355 IonicContact NH2-OE1 3.8Å; R301-E355 PolarHBondContact NH2-OE1 2.85Å; R301-E355 IonicContact NH2-OE2 3.68Å; R301-E355 PolarHBondContact NH2-OE2 2.95Å; R301-E355 VanDerWaalsContact NH2-OE2 3.08Å
302	S	86.9	Confident	74.9	Confident	63 Å²	63	67.5 Å²	67.5	44%	0.441	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-38.9	175.7	-168	0	0	0	0	112.7	L298 K299 A306	L298-S302 WeakPolarHBondContact O-CB 3.13Å; L298-S302 PolarHBondContact O-N 2.78Å; K299-S302 PolarHBondContact O-N 3.04Å; S302-A306 PolarHBondContact O-N 3.24Å
303	L	85	Confident	72.3	Confident	24 Å²	24	72 Å²	72	13%	0.126	43%	0.429	C	S	.	.	H	α-helix	trans	-69.7	-36.5	177.6	-72.3	170.3	0	0	0	112.5	K299 R301 A306 E323 T327	K299-L303 WeakPolarHBondContact O-CG 3.49Å; K299-L303 PolarHBondContact O-N 3.02Å; R301-L303 VanDerWaalsContact C-N 3.34Å; R301-L303 PolarHBondContact O-N 3.34Å; L303-A306 PolarHBondContact O-N 2.95Å; L303-E323 HydrophobicContact CD2-CB 4.37Å; L303-T327 HydrophobicContact CD1-CG2 4.36Å
304	Q	77.1	Confident	69.6	Low	92 Å²	92	74.9 Å²	74.9	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-38.8	174.8	-75.7	173.9	102	0	0	112.8	W300 R301 A306 E307	W300-Q304 VanDerWaalsContact CD1-NE2 3.26Å; W300-Q304 PolarHBondContact O-N 2.92Å; W300-Q304 PolarHBondContact O-NE2 3.04Å; R301-Q304 PolarHBondContact O-N 3.09Å; Q304-A306 PolarHBondContact O-N 3.11Å; Q304-E307 PolarHBondContact O-N 3.16Å
305	M	69.7	Low	67.3	Low	155 Å²	155	77.2 Å²	77.2	76%	0.764	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.9	177.5	-65.9	-174.5	-54.3	0	0	113.6	R301	R301-M305 WeakPolarHBondContact O-CG 3.27Å; R301-M305 PolarHBondContact O-N 3.09Å; R301-M305 VanDerWaalsContact O-N 3.09Å
306	A	60.8	Low	65	Low	73 Å²	73	83.5 Å²	83.5	60%	0.603	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.4	177.2	0	0	0	0	0	113.6	S302 L303 Q304	S302-A306 PolarHBondContact O-N 3.24Å; L303-A306 PolarHBondContact O-N 2.95Å; Q304-A306 PolarHBondContact O-N 3.11Å
307	E	54.1	Low	62.6	Low	101 Å²	101	90.2 Å²	90.2	47%	0.472	54%	0.544	S	S	.	.	S	Bend	trans	-79.9	124.9	172.9	-63	-163.8	148.9	0	0	110	Q304	Q304-E307 PolarHBondContact O-N 3.16Å
308	P	44.9	Very low	60.5	Low	104 Å²	104	91.7 Å²	91.7	68%	0.675	56%	0.56	S	S	*	*			trans	-69.1	139.7	-175.6	27.6	-34.4	0	0	0	111.4	T310	P308-T310 PolarHBondContact O-N 3.11Å
309	A	44.5	Very low	58.8	Low	112 Å²	112	93.5 Å²	93.5	93%	0.926	58%	0.576	S	S	*	*			trans	-72.6	33.9	-175.6	0	0	0	0	0	115	G311	A309-G311 PolarHBondContact O-N 2.93Å
310	T	39.4	Very low	57.5	Low	115 Å²	115	94.1 Å²	94.1	71%	0.706	59%	0.585	S	S	*	*			trans	-83.2	74.3	-179.1	50.2	0	0	0	0	112.4	P308	P308-T310 PolarHBondContact O-N 3.11Å
311	G	39.6	Very low	56.9	Low	50 Å²	50	94.8 Å²	94.8	52%	0.515	59%	0.591	S	S	.	*			trans	86.6	116.9	158	0	0	0	0	0	116.6	A309 A313 A314	A309-G311 PolarHBondContact O-N 2.93Å; G311-A313 PolarHBondContact O-N 2.95Å; G311-A314 PolarHBondContact O-N 3.18Å; G311-A314 VanDerWaalsContact O-N 3.16Å
312	V	45.9	Very low	56.5	Low	148 Å²	148	94 Å²	94	90%	0.897	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-56.6	-18.9	176.2	-176.4	0	0	0	0	113.3	A314	V312-A314 PolarHBondContact O-N 3.29Å
313	A	39	Very low	56.5	Low	98 Å²	98	96.9 Å²	96.9	81%	0.81	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-73.6	-16.3	179	0	0	0	0	0	115.3	G311	G311-A313 PolarHBondContact O-N 2.95Å
314	A	40.3	Very low	56.6	Low	61 Å²	61	96.8 Å²	96.8	50%	0.504	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-83.8	-22.6	-174.6	0	0	0	0	0	114.4	G311 V312 I316 T318	G311-A314 PolarHBondContact O-N 3.18Å; G311-A314 VanDerWaalsContact O-N 3.16Å; V312-A314 PolarHBondContact O-N 3.29Å; A314-I316 PolarHBondContact O-N 2.92Å; A314-T318 PolarHBondContact O-OG1 3.22Å
315	A	44.9	Very low	57.2	Low	81 Å²	81	94.6 Å²	94.6	67%	0.669	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	0.1	-161	0	0	0	0	0	117
316	I	45.7	Very low	58.2	Low	149 Å²	149	91 Å²	91	76%	0.764	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-26.8	-174.3	-62.7	178.4	0	0	0	112.5	A314	A314-I316 PolarHBondContact O-N 2.92Å
317	N	43.7	Very low	59.7	Low	150 Å²	150	88 Å²	88	80%	0.802	56%	0.558	S	S	*	*	S	Bend	trans	-131.7	8.6	-175.1	-78.1	-53.7	0	0	0	115
318	T	48.1	Very low	61.6	Low	90 Å²	90	83.4 Å²	83.4	55%	0.552	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-67.1	125.7	174.5	-42.5	0	0	0	0	109.7	A314	A314-T318 PolarHBondContact O-OG1 3.22Å
319	P	55.5	Low	63.9	Low	106 Å²	106	86 Å²	86	69%	0.688	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-63.5	138.5	174.8	26.9	-33.8	0	0	0	109.6	N321	P319-N321 PolarHBondContact O-N 2.91Å
320	P	61.4	Low	66.3	Low	64 Å²	64	84.2 Å²	84.2	42%	0.416	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.4	-177.7	26.2	-34.4	0	0	0	110.2	L325	P320-L325 HydrophobicContact CG-CD1 4.11Å
321	N	77.3	Confident	69	Low	40 Å²	40	78.7 Å²	78.7	21%	0.214	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-50	124	177.8	172.5	-16.6	0	0	0	109.7	P319 E323 Q324 L325	P319-N321 PolarHBondContact O-N 2.91Å; N321-E323 PolarHBondContact O-N 3.49Å; N321-E323 WeakPolarHBondContact OD1-CB 3.38Å; N321-E323 PolarHBondContact OD1-N 2.66Å; N321-Q324 HydrophobicContact CB-CB 3.79Å; N321-Q324 WeakPolarHBondContact O-CB 3.38Å; N321-Q324 PolarHBondContact O-N 2.91Å; N321-Q324 VanDerWaalsContact O-N 3.07Å; N321-L325 PolarHBondContact O-N 3.32Å
322	P	82.9	Confident	71.8	Confident	98 Å²	98	77.1 Å²	77.1	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-61.8	-31.9	-173.4	23.7	-33.7	0	0	0	112.8	V326	P322-V326 WeakPolarHBondContact O-CG2 3.38Å; P322-V326 PolarHBondContact O-N 3.33Å
323	E	85.7	Confident	74.1	Confident	124 Å²	124	76 Å²	76	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-71.8	-37.7	176	-56.3	-167.4	159.6	0	0	111.9	L303 N321 V326 T327	L303-E323 HydrophobicContact CD2-CB 4.37Å; N321-E323 PolarHBondContact O-N 3.49Å; N321-E323 WeakPolarHBondContact OD1-CB 3.38Å; N321-E323 PolarHBondContact OD1-N 2.66Å; E323-V326 PolarHBondContact O-N 3.14Å; E323-T327 VanDerWaalsContact O-CB 3.31Å; E323-T327 WeakPolarHBondContact O-CB 3.32Å; E323-T327 PolarHBondContact O-N 3.36Å; E323-T327 PolarHBondContact O-OG1 2.67Å
324	Q	87.8	Confident	76.9	Confident	21 Å²	21	71.5 Å²	71.5	10%	0.098	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-45	173.7	-172.3	-173.4	38.5	0	0	110.7	W300 N321 T327 N328	W300-Q324 HydrophobicContact CE3-CG 4.12Å; W300-Q324 HydrophobicContact CH2-CG 3.56Å; W300-Q324 HydrophobicContact CZ3-CB 4.45Å; W300-Q324 HydrophobicContact CZ3-CG 3.22Å; N321-Q324 HydrophobicContact CB-CB 3.79Å; N321-Q324 WeakPolarHBondContact O-CB 3.38Å; N321-Q324 PolarHBondContact O-N 2.91Å; N321-Q324 VanDerWaalsContact O-N 3.07Å; Q324-T327 WeakPolarHBondContact O-CB 3.41Å; Q324-T327 PolarHBondContact O-N 2.91Å; Q324-N328 PolarHBondContact O-N 2.83Å
325	L	89.2	Confident	79.6	Confident	47 Å²	47	68.6 Å²	68.6	25%	0.246	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.2	179.4	154	0	0	0	112.4	P320 N321 R329	P320-L325 HydrophobicContact CG-CD1 4.11Å; N321-L325 PolarHBondContact O-N 3.32Å; L325-R329 WeakPolarHBondContact O-CG 3.39Å; L325-R329 PolarHBondContact O-N 3.32Å; L325-R329 VanDerWaalsContact O-N 3.11Å
326	V	91.4	Very high	82	Confident	80 Å²	80	66.9 Å²	66.9	49%	0.485	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-42.1	172.7	168.9	0	0	0	0	110.9	P322 E323 R329 K330	P322-V326 WeakPolarHBondContact O-CG2 3.38Å; P322-V326 PolarHBondContact O-N 3.33Å; E323-V326 PolarHBondContact O-N 3.14Å; V326-R329 PolarHBondContact O-N 3Å; V326-K330 PolarHBondContact O-N 3.48Å; V326-K330 VanDerWaalsContact O-N 3.08Å
327	T	92.3	Very high	84.5	Confident	10 Å²	10	61.4 Å²	61.4	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-44.1	176.7	-60.4	0	0	0	0	111.3	Y296 W300 L303 E323 Q324 R329 K330 I331	Y296-T327 HydrophobicContact CD1-CG2 4.25Å; W300-T327 HydrophobicContact CE3-CG2 4.3Å; L303-T327 HydrophobicContact CD1-CG2 4.36Å; E323-T327 VanDerWaalsContact O-CB 3.31Å; E323-T327 WeakPolarHBondContact O-CB 3.32Å; E323-T327 PolarHBondContact O-N 3.36Å; E323-T327 PolarHBondContact O-OG1 2.67Å; Q324-T327 WeakPolarHBondContact O-CB 3.41Å; Q324-T327 PolarHBondContact O-N 2.91Å; T327-R329 PolarHBondContact O-N 3.31Å; T327-K330 WeakPolarHBondContact O-CB 3.09Å; T327-K330 PolarHBondContact O-N 3.35Å; T327-K330 VanDerWaalsContact O-N 3.15Å; T327-I331 HydrophobicContact CG2-CD1 4.03Å; T327-I331 WeakPolarHBondContact O-CG1 3.5Å; T327-I331 PolarHBondContact O-N 3.45Å
328	N	93.7	Very high	86.9	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-38	176.3	-101.7	-5.3	0	0	0	113.5	W300 Q324 K330 I331 L332 A359 E363	W300-N328 WeakPolarHBondContact CH2-ND2 3.18Å; W300-N328 WeakPolarHBondContact CH2-OD1 3.29Å; W300-N328 HydrophobicContact CZ3-CB 4.3Å; W300-N328 WeakPolarHBondContact CZ3-OD1 3.28Å; Q324-N328 PolarHBondContact O-N 2.83Å; N328-K330 VanDerWaalsContact C-N 3.31Å; N328-K330 PolarHBondContact O-N 3.19Å; N328-I331 PolarHBondContact O-N 3.18Å; N328-L332 WeakPolarHBondContact O-CB 3.13Å; N328-L332 PolarHBondContact O-N 3.07Å; N328-A359 VanDerWaalsContact CG-O 3.25Å; N328-A359 PolarHBondContact ND2-O 3.38Å; N328-A359 VanDerWaalsContact OD1-C 3.3Å; N328-A359 PolarHBondContact OD1-O 3.42Å; N328-E363 VanDerWaalsContact CB-CD 3.43Å; N328-E363 HydrophobicContact CB-CG 4.09Å; N328-E363 WeakPolarHBondContact CB-OE2 3.47Å; N328-E363 PolarHBondContact ND2-OE1 3.4Å; N328-E363 PolarHBondContact ND2-OE2 3.45Å
329	R	94.3	Very high	89.2	Confident	159 Å²	159	50.3 Å²	50.3	60%	0.6	25%	0.254	S	S	*	.	H	α-helix	trans	-64.5	-35.5	173.5	-72.3	174.9	177.7	-174.2	0.6	112.2	L325 V326 T327 R333	L325-R329 WeakPolarHBondContact O-CG 3.39Å; L325-R329 PolarHBondContact O-N 3.32Å; L325-R329 VanDerWaalsContact O-N 3.11Å; V326-R329 PolarHBondContact O-N 3Å; T327-R329 PolarHBondContact O-N 3.31Å; R329-R333 PolarHBondContact O-N 3.49Å; R329-R333 VanDerWaalsContact O-N 3.13Å
330	K	94.6	Very high	91.1	Very high	73 Å²	73	48.8 Å²	48.8	32%	0.317	25%	0.25	S	C	.	.	H	α-helix	trans	-67.9	-45.1	172.4	-74.5	-178.3	159.5	-155.5	0	111.9	E277 Y296 V326 T327 N328 R333 L334	E277-K330 IonicContact OE1-NZ 3.48Å; E277-K330 PolarHBondContact OE1-NZ 3.49Å; E277-K330 VanDerWaalsContact OE2-CE 3.26Å; E277-K330 WeakPolarHBondContact OE2-CE 3.34Å; E277-K330 IonicContact OE2-NZ 3.43Å; E277-K330 PolarHBondContact OE2-NZ 2.75Å; Y296-K330 HydrophobicContact CD1-CB 4.49Å; Y296-K330 HydrophobicContact CE1-CB 3.62Å; Y296-K330 HydrophobicContact CE1-CD 3.98Å; Y296-K330 HydrophobicContact CE1-CG 4.43Å; V326-K330 PolarHBondContact O-N 3.48Å; V326-K330 VanDerWaalsContact O-N 3.08Å; T327-K330 WeakPolarHBondContact O-CB 3.09Å; T327-K330 PolarHBondContact O-N 3.35Å; T327-K330 VanDerWaalsContact O-N 3.15Å; N328-K330 VanDerWaalsContact C-N 3.31Å; N328-K330 PolarHBondContact O-N 3.19Å; K330-R333 PolarHBondContact O-N 2.81Å; K330-L334 PolarHBondContact O-N 2.87Å
331	I	96.6	Very high	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-51.2	173.6	-69.3	167.1	0	0	0	110.5	Y296 W300 T327 N328 R333 L334 V335 M356 A359 C360	Y296-I331 HydrophobicContact CD1-CG1 4.09Å; Y296-I331 HydrophobicContact CG-CG1 3.96Å; W300-I331 HydrophobicContact CB-CD1 4.3Å; W300-I331 HydrophobicContact CD2-CD1 4.4Å; W300-I331 HydrophobicContact CE3-CD1 4.2Å; W300-I331 HydrophobicContact CG-CD1 4.44Å; T327-I331 HydrophobicContact CG2-CD1 4.03Å; T327-I331 WeakPolarHBondContact O-CG1 3.5Å; T327-I331 PolarHBondContact O-N 3.45Å; N328-I331 PolarHBondContact O-N 3.18Å; I331-R333 VanDerWaalsContact C-N 3.31Å; I331-R333 PolarHBondContact O-N 3.23Å; I331-L334 PolarHBondContact O-N 3.35Å; I331-L334 VanDerWaalsContact O-N 3.11Å; I331-V335 HydrophobicContact CG2-CG2 3.91Å; I331-V335 WeakPolarHBondContact O-CB 3.43Å; I331-V335 WeakPolarHBondContact O-CG2 3.49Å; I331-V335 PolarHBondContact O-N 3Å; I331-M356 HydrophobicContact CD1-SD 4.31Å; I331-M356 HydrophobicContact CG2-CB 3.97Å; I331-M356 WeakPolarHBondContact CG2-O 3.31Å; I331-M356 HydrophobicContact CG2-SD 4.48Å; I331-A359 HydrophobicContact CD1-CB 4.34Å; I331-C360 HydrophobicContact CB-CB 4.36Å; I331-C360 HydrophobicContact CG2-CB 4Å
332	L	96.9	Very high	93.3	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-40.7	179.7	-176	62.4	0	0	0	112.4	N328 K336 C360 E363 A364 I372	N328-L332 WeakPolarHBondContact O-CB 3.13Å; N328-L332 PolarHBondContact O-N 3.07Å; L332-K336 HydrophobicContact CD1-CD 4.02Å; L332-K336 HydrophobicContact CD1-CG 4.23Å; L332-K336 HydrophobicContact CG-CD 4Å; L332-K336 WeakPolarHBondContact O-CB 3.4Å; L332-K336 WeakPolarHBondContact O-CD 3.24Å; L332-K336 WeakPolarHBondContact O-CG 3.48Å; L332-K336 PolarHBondContact O-N 3.09Å; L332-K336 VanDerWaalsContact O-N 3.1Å; L332-C360 HydrophobicContact CB-CB 3.96Å; L332-E363 HydrophobicContact CD2-CB 4.42Å; L332-A364 HydrophobicContact CD1-CB 4.28Å; L332-I372 HydrophobicContact CD1-CD1 4.22Å
333	R	95.9	Very high	93.5	Very high	126 Å²	126	46.6 Å²	46.6	48%	0.475	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-45.8	175.4	-179.5	176.7	166.2	100.5	5.5	111.3	L280 E281 R329 K330 I331 H337	L280-R333 HydrophobicContact CD2-CG 4.09Å; E281-R333 IonicContact OE1-CZ 2.81Å; E281-R333 IonicContact OE1-NH1 3.11Å; E281-R333 PolarHBondContact OE1-NH1 3.05Å; E281-R333 IonicContact OE1-NH2 3.89Å; E281-R333 PolarHBondContact OE1-NH2 3.27Å; R329-R333 PolarHBondContact O-N 3.49Å; R329-R333 VanDerWaalsContact O-N 3.13Å; K330-R333 PolarHBondContact O-N 2.81Å; I331-R333 VanDerWaalsContact C-N 3.31Å; I331-R333 PolarHBondContact O-N 3.23Å; R333-H337 WeakPolarHBondContact O-CB 2.98Å; R333-H337 PolarHBondContact O-N 3.31Å
334	L	96.8	Very high	93.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-45.1	179.6	176	61.4	0	0	0	113.1	L280 L289 L292 L293 Y296 K330 I331 K336 H337 T338	L280-L334 HydrophobicContact CD1-CD1 3.65Å; L280-L334 HydrophobicContact CD2-CD1 4.46Å; L289-L334 HydrophobicContact CD2-CD1 4.03Å; L292-L334 HydrophobicContact CB-CD1 4.13Å; L292-L334 HydrophobicContact CB-CD2 3.54Å; L292-L334 HydrophobicContact CD1-CD1 4.21Å; L293-L334 HydrophobicContact CB-CD2 4.41Å; L293-L334 HydrophobicContact CD2-CD2 3.69Å; L293-L334 HydrophobicContact CD2-CG 3.83Å; L293-L334 HydrophobicContact CG-CD2 3.73Å; L293-L334 HydrophobicContact CG-CG 3.99Å; Y296-L334 HydrophobicContact CD2-CD2 3.56Å; Y296-L334 HydrophobicContact CE2-CD2 3.8Å; K330-L334 PolarHBondContact O-N 2.87Å; I331-L334 PolarHBondContact O-N 3.35Å; I331-L334 VanDerWaalsContact O-N 3.11Å; L334-K336 PolarHBondContact O-N 3.41Å; L334-H337 PolarHBondContact O-N 3.22Å; L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.33Å; L334-T338 PolarHBondContact O-OG1 3.06Å
335	V	97.1	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-48.4	177.9	165.1	0	0	0	0	110.6	L293 I331 H337 T338 L339 L353 M356 L357	L293-V335 HydrophobicContact CD2-CG2 3.72Å; I331-V335 HydrophobicContact CG2-CG2 3.91Å; I331-V335 WeakPolarHBondContact O-CB 3.43Å; I331-V335 WeakPolarHBondContact O-CG2 3.49Å; I331-V335 PolarHBondContact O-N 3Å; V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 2.81Å; V335-T338 PolarHBondContact O-N 3.01Å; V335-L339 HydrophobicContact CG1-CD1 4.02Å; V335-L339 WeakPolarHBondContact O-CB 3.49Å; V335-L339 WeakPolarHBondContact O-CG 3.31Å; V335-L339 PolarHBondContact O-N 3.46Å; V335-L353 HydrophobicContact CG1-CD1 4.24Å; V335-L353 HydrophobicContact CG2-CD1 4.4Å; V335-M356 HydrophobicContact CG2-CB 3.87Å; V335-L357 HydrophobicContact CG1-CD2 3.44Å; V335-L357 VanDerWaalsContact CG1-CD2 3.44Å; V335-L357 HydrophobicContact CG1-CG 3.64Å
336	K	96.3	Very high	93.9	Very high	46 Å²	46	47.9 Å²	47.9	20%	0.2	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-40	176.6	-70.3	172.1	69.7	173	0	112.4	L332 L334 A340 S368 L371 I372	L332-K336 HydrophobicContact CD1-CD 4.02Å; L332-K336 HydrophobicContact CD1-CG 4.23Å; L332-K336 HydrophobicContact CG-CD 4Å; L332-K336 WeakPolarHBondContact O-CB 3.4Å; L332-K336 WeakPolarHBondContact O-CD 3.24Å; L332-K336 WeakPolarHBondContact O-CG 3.48Å; L332-K336 PolarHBondContact O-N 3.09Å; L332-K336 VanDerWaalsContact O-N 3.1Å; L334-K336 PolarHBondContact O-N 3.41Å; K336-A340 WeakPolarHBondContact O-CB 3.41Å; K336-A340 PolarHBondContact O-N 2.93Å; K336-A340 VanDerWaalsContact O-N 3.17Å; K336-S368 PolarHBondContact NZ-OG 2.95Å; K336-L371 HydrophobicContact CB-CD1 4.48Å; K336-L371 HydrophobicContact CB-CD2 3.98Å; K336-L371 HydrophobicContact CG-CD2 4.19Å; K336-I372 HydrophobicContact CG-CG1 4.43Å
337	H	96.3	Very high	93.9	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-39	177.6	-172.7	72	0	0	0	112.5	L280 E283 R333 L334 V335 A340 S341	L280-H337 PolarHBondContact O-CD2 3.42Å; L280-H337 PolarHBondContact O-CE1 3.34Å; L280-H337 PolarHBondContact O-NE2 2.9Å; E283-H337 PolarHBondContact O-NE2 3.48Å; R333-H337 WeakPolarHBondContact O-CB 2.98Å; R333-H337 PolarHBondContact O-N 3.31Å; L334-H337 PolarHBondContact O-N 3.22Å; V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 2.81Å; H337-A340 PolarHBondContact O-N 3.32Å; H337-S341 PolarHBondContact CE1-OG 3.4Å; H337-S341 PolarHBondContact NE2-OG 3.07Å; H337-S341 VanDerWaalsContact O-CB 3.26Å; H337-S341 WeakPolarHBondContact O-CB 3.17Å; H337-S341 PolarHBondContact O-N 3.26Å; H337-S341 PolarHBondContact O-OG 3.26Å
338	T	96	Very high	94	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-47.2	175.1	-52.3	0	0	0	0	110.9	L289 F290 L293 L334 V335 A340 S341 V342	L289-T338 HydrophobicContact CB-CG2 4.27Å; F290-T338 HydrophobicContact CE2-CG2 3.93Å; F290-T338 HydrophobicContact CZ-CG2 3.81Å; L293-T338 HydrophobicContact CD1-CG2 4.23Å; L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.33Å; L334-T338 PolarHBondContact O-OG1 3.06Å; V335-T338 PolarHBondContact O-N 3.01Å; T338-A340 PolarHBondContact O-N 3.44Å; T338-S341 PolarHBondContact O-N 3.07Å; T338-V342 HydrophobicContact CG2-CG2 4.06Å; T338-V342 WeakPolarHBondContact O-CB 3.24Å; T338-V342 PolarHBondContact O-N 3.47Å
339	L	95.8	Very high	94	Very high	7 Å²	7	56 Å²	56	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-15.8	175.9	-76.2	177	0	0	0	114.7	V335 L353 L357 I372 S375 L377 F378	V335-L339 HydrophobicContact CG1-CD1 4.02Å; V335-L339 WeakPolarHBondContact O-CB 3.49Å; V335-L339 WeakPolarHBondContact O-CG 3.31Å; V335-L339 PolarHBondContact O-N 3.46Å; L339-L353 HydrophobicContact CD2-CD2 3.79Å; L339-L353 HydrophobicContact CG-CD2 4.43Å; L339-L357 HydrophobicContact CD1-CD2 4.2Å; L339-I372 HydrophobicContact CD1-CB 4.34Å; L339-I372 HydrophobicContact CD1-CG1 3.99Å; L339-I372 HydrophobicContact CD1-CG2 4.18Å; L339-S375 WeakPolarHBondContact O-CB 3.3Å; L339-S375 PolarHBondContact O-OG 3.41Å; L339-L377 HydrophobicContact CD2-CB 4.35Å; L339-L377 HydrophobicContact CD2-CD2 4.33Å; L339-L377 HydrophobicContact CD2-CG 4.48Å; L339-F378 HydrophobicContact CD1-CB 4.35Å; L339-F378 HydrophobicContact CD2-CB 3.84Å
340	A	94.5	Very high	94	Very high	73 Å²	73	49.1 Å²	49.1	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-98.6	-24	174.2	0	0	0	0	0	113.3	K336 H337 T338	K336-A340 WeakPolarHBondContact O-CB 3.41Å; K336-A340 PolarHBondContact O-N 2.93Å; K336-A340 VanDerWaalsContact O-N 3.17Å; H337-A340 PolarHBondContact O-N 3.32Å; T338-A340 PolarHBondContact O-N 3.44Å
341	S	92.8	Very high	94.1	Very high	39 Å²	39	47.5 Å²	47.5	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-102.4	-17.6	-173.3	-56.6	0	0	0	0	114.3	H337 T338	H337-S341 PolarHBondContact CE1-OG 3.4Å; H337-S341 PolarHBondContact NE2-OG 3.07Å; H337-S341 VanDerWaalsContact O-CB 3.26Å; H337-S341 WeakPolarHBondContact O-CB 3.17Å; H337-S341 PolarHBondContact O-N 3.26Å; H337-S341 PolarHBondContact O-OG 3.26Å; T338-S341 PolarHBondContact O-N 3.07Å
342	V	92.6	Very high	94	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.073	27%	0.269	C	S	.	.			trans	-123.6	128.1	-172.2	-169.4	0	0	0	0	110.7	P286 L289 T338 V345	P286-V342 HydrophobicContact CB-CG1 4.07Å; P286-V342 HydrophobicContact CB-CG2 4.16Å; P286-V342 HydrophobicContact CG-CG1 3.97Å; P286-V342 HydrophobicContact CG-CG2 4.12Å; L289-V342 HydrophobicContact CD1-CG2 3.89Å; T338-V342 HydrophobicContact CG2-CG2 4.06Å; T338-V342 WeakPolarHBondContact O-CB 3.24Å; T338-V342 PolarHBondContact O-N 3.47Å; V342-V345 HydrophobicContact CB-CG1 4.49Å; V342-V345 HydrophobicContact CG1-CG1 3.45Å; V342-V345 VanDerWaalsContact CG1-CG1 3.45Å
343	S	87.4	Confident	94	Very high	106 Å²	106	47.1 Å²	47.1	74%	0.741	27%	0.265	S	S	*	.	S	Bend	trans	-95.6	-25.2	-176.3	50.8	0	0	0	0	114.7
344	G	87.6	Confident	94.1	Very high	50 Å²	50	41.7 Å²	41.7	52%	0.515	25%	0.245	S	C	.	.			trans	-157.4	143.9	-178.6	0	0	0	0	0	111.2
345	V	91.3	Very high	94.1	Very high	36 Å²	36	43.2 Å²	43.2	22%	0.218	25%	0.253	C	S	.	.			trans	-149.2	167.4	-174.3	-48.3	0	0	0	0	109.6	F290 V342 E349 M350 L377	F290-V345 HydrophobicContact CE2-CB 4.18Å; F290-V345 HydrophobicContact CE2-CG1 3.49Å; F290-V345 VanDerWaalsContact CE2-CG1 3.49Å; F290-V345 HydrophobicContact CZ-CB 4.26Å; F290-V345 HydrophobicContact CZ-CG1 3.74Å; F290-V345 HydrophobicContact CZ-CG2 4.33Å; V342-V345 HydrophobicContact CB-CG1 4.49Å; V342-V345 HydrophobicContact CG1-CG1 3.45Å; V342-V345 VanDerWaalsContact CG1-CG1 3.45Å; V345-E349 HydrophobicContact CB-CB 3.83Å; V345-E349 HydrophobicContact CG2-CB 3.86Å; V345-M350 HydrophobicContact CG2-CB 4.35Å; V345-M350 HydrophobicContact CG2-CG 3.47Å; V345-M350 VanDerWaalsContact CG2-CG 3.47Å; V345-M350 HydrophobicContact CG2-SD 3.35Å; V345-M350 WeakPolarHBondContact CG2-SD 3.37Å; V345-L377 HydrophobicContact CG1-CD2 4.05Å; V345-L377 HydrophobicContact CG2-CD1 4.46Å
346	R	92.3	Very high	94.1	Very high	133 Å²	133	43.2 Å²	43.2	50%	0.502	25%	0.253	S	S	.	.			trans	-80.9	162.5	178.5	-59.9	166.5	-70.3	169.1	-1.2	111.7	Q348 E349 M350	R346-Q348 VanDerWaalsContact C-N 3.27Å; R346-Q348 PolarHBondContact O-N 3.21Å; R346-E349 WeakPolarHBondContact CB-OE2 3.36Å; R346-E349 WeakPolarHBondContact CG-OE2 3.32Å; R346-E349 IonicContact CZ-OE1 3.54Å; R346-E349 IonicContact CZ-OE2 3.83Å; R346-E349 PolarHBondContact N-OE2 3.36Å; R346-E349 IonicContact NE-OE1 3.41Å; R346-E349 IonicContact NE-OE2 2.75Å; R346-E349 PolarHBondContact NE-OE2 3.12Å; R346-E349 VanDerWaalsContact NH2-CD 3.25Å; R346-E349 IonicContact NH2-OE1 3.24Å; R346-E349 PolarHBondContact NH2-OE1 2.95Å; R346-E349 IonicContact NH2-OE2 3.47Å; R346-E349 CarbonylContact O-C 3.53Å; R346-E349 WeakPolarHBondContact O-CA 3.17Å; R346-E349 WeakPolarHBondContact O-CB 3.11Å; R346-E349 PolarHBondContact O-N 3.47Å; R346-M350 PolarHBondContact O-N 3.35Å
347	D	91.4	Very high	94.1	Very high	138 Å²	138	41 Å²	41	74%	0.738	24%	0.243	S	C	*	.	H	α-helix	trans	-57.5	-39.5	-176.1	-44.9	-67.7	0	0	0	112.9	E349 M350 A351	D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.15Å; D347-M350 PolarHBondContact O-N 3.11Å; D347-A351 VanDerWaalsContact O-CB 3.3Å; D347-A351 WeakPolarHBondContact O-CB 3.37Å; D347-A351 PolarHBondContact O-N 3.38Å
348	Q	92.8	Very high	94.1	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-24.4	176.3	-178.4	57.4	99.4	0	0	113	Y2 R346 L352	Y2-Q348 WeakPolarHBondContact OH-CG 3.47Å; R346-Q348 VanDerWaalsContact C-N 3.27Å; R346-Q348 PolarHBondContact O-N 3.21Å; Q348-L352 PolarHBondContact O-N 3.44Å
349	E	94.3	Very high	94	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-80.7	-40.7	172.1	-70	164.5	144.3	0	0	110.6	F290 V345 R346 D347 A351 L352 L353	F290-E349 HydrophobicContact CB-CG 4.48Å; F290-E349 HydrophobicContact CD1-CB 3.9Å; F290-E349 HydrophobicContact CD1-CG 4.12Å; F290-E349 HydrophobicContact CD2-CB 4.31Å; F290-E349 HydrophobicContact CD2-CG 4.26Å; F290-E349 HydrophobicContact CE1-CB 3.81Å; F290-E349 WeakPolarHBondContact CE1-O 3.3Å; F290-E349 HydrophobicContact CE2-CB 4.26Å; F290-E349 HydrophobicContact CG-CB 4.17Å; F290-E349 HydrophobicContact CG-CG 4Å; F290-E349 HydrophobicContact CZ-CB 4.01Å; V345-E349 HydrophobicContact CB-CB 3.83Å; V345-E349 HydrophobicContact CG2-CB 3.86Å; R346-E349 WeakPolarHBondContact CB-OE2 3.36Å; R346-E349 WeakPolarHBondContact CG-OE2 3.32Å; R346-E349 IonicContact CZ-OE1 3.54Å; R346-E349 IonicContact CZ-OE2 3.83Å; R346-E349 PolarHBondContact N-OE2 3.36Å; R346-E349 IonicContact NE-OE1 3.41Å; R346-E349 IonicContact NE-OE2 2.75Å; R346-E349 PolarHBondContact NE-OE2 3.12Å; R346-E349 VanDerWaalsContact NH2-CD 3.25Å; R346-E349 IonicContact NH2-OE1 3.24Å; R346-E349 PolarHBondContact NH2-OE1 2.95Å; R346-E349 IonicContact NH2-OE2 3.47Å; R346-E349 CarbonylContact O-C 3.53Å; R346-E349 WeakPolarHBondContact O-CA 3.17Å; R346-E349 WeakPolarHBondContact O-CB 3.11Å; R346-E349 PolarHBondContact O-N 3.47Å; D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.15Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3.4Å; E349-L352 PolarHBondContact O-N 3.38Å; E349-L353 WeakPolarHBondContact O-CB 3.46Å; E349-L353 PolarHBondContact O-N 3.29Å
350	M	94.9	Very high	94	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.069	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-40.1	169.7	-77	-48.6	-51.3	0	0	112.5	V345 R346 D347 L352 L353 D354 L377 N381 Q383	V345-M350 HydrophobicContact CG2-CB 4.35Å; V345-M350 HydrophobicContact CG2-CG 3.47Å; V345-M350 VanDerWaalsContact CG2-CG 3.47Å; V345-M350 HydrophobicContact CG2-SD 3.35Å; V345-M350 WeakPolarHBondContact CG2-SD 3.37Å; R346-M350 PolarHBondContact O-N 3.35Å; D347-M350 PolarHBondContact O-N 3.11Å; M350-L352 VanDerWaalsContact C-N 3.3Å; M350-L352 PolarHBondContact O-N 3.02Å; M350-L353 HydrophobicContact CE-CD2 4.08Å; M350-L353 WeakPolarHBondContact O-CB 3.36Å; M350-L353 PolarHBondContact O-N 3.07Å; M350-L353 HydrophobicContact SD-CD2 4.18Å; M350-D354 WeakPolarHBondContact O-CB 3.34Å; M350-D354 PolarHBondContact O-N 3.26Å; M350-L377 HydrophobicContact SD-CD1 3.79Å; M350-L377 HydrophobicContact SD-CD2 4.28Å; M350-L377 HydrophobicContact SD-CG 3.95Å; M350-N381 HydrophobicContact CE-CB 3.68Å; M350-N381 HydrophobicContact SD-CB 4.49Å; M350-Q383 VanDerWaalsContact CE-CD 3.41Å; M350-Q383 HydrophobicContact CE-CG 4.4Å; M350-Q383 VanDerWaalsContact CE-NE2 3.27Å; M350-Q383 VanDerWaalsContact CE-OE1 3.3Å
351	A	95.4	Very high	94	Very high	39 Å²	39	37.1 Å²	37.1	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-70	-26.4	179.9	0	0	0	0	0	113.4	D347 E349 E355 K385	D347-A351 VanDerWaalsContact O-CB 3.3Å; D347-A351 WeakPolarHBondContact O-CB 3.37Å; D347-A351 PolarHBondContact O-N 3.38Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3.4Å; A351-E355 PolarHBondContact O-N 3.09Å; A351-K385 PolarHBondContact O-NZ 2.84Å
352	L	96.3	Very high	94	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-77.1	-40.4	168.6	169.9	60.1	0	0	0	111	F290 L293 S294 R297 Q348 E349 M350 E355 M356	F290-L352 HydrophobicContact CD1-CD2 4.1Å; L293-L352 HydrophobicContact CB-CD1 4.5Å; L293-L352 HydrophobicContact CB-CD2 4.07Å; L293-L352 HydrophobicContact CB-CG 4.2Å; S294-L352 VanDerWaalsContact OG-CD2 3.32Å; S294-L352 WeakPolarHBondContact OG-CD2 3.46Å; R297-L352 HydrophobicContact CB-CD1 4.11Å; R297-L352 HydrophobicContact CG-CD1 4.46Å; Q348-L352 PolarHBondContact O-N 3.44Å; E349-L352 PolarHBondContact O-N 3.38Å; M350-L352 VanDerWaalsContact C-N 3.3Å; M350-L352 PolarHBondContact O-N 3.02Å; L352-E355 PolarHBondContact O-N 3Å; L352-M356 HydrophobicContact CD1-CG 3.96Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 3.13Å
353	L	96.9	Very high	94	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-44	177.1	-169.1	54.8	0	0	0	111.4	F290 L293 V335 L339 E349 M350 E355 M356 L357 L377	F290-L353 HydrophobicContact CE1-CB 4.22Å; F290-L353 HydrophobicContact CZ-CD2 4.49Å; L293-L353 HydrophobicContact CD1-CD1 4.1Å; V335-L353 HydrophobicContact CG1-CD1 4.24Å; V335-L353 HydrophobicContact CG2-CD1 4.4Å; L339-L353 HydrophobicContact CD2-CD2 3.79Å; L339-L353 HydrophobicContact CG-CD2 4.43Å; E349-L353 WeakPolarHBondContact O-CB 3.46Å; E349-L353 PolarHBondContact O-N 3.29Å; M350-L353 HydrophobicContact CE-CD2 4.08Å; M350-L353 WeakPolarHBondContact O-CB 3.36Å; M350-L353 PolarHBondContact O-N 3.07Å; M350-L353 HydrophobicContact SD-CD2 4.18Å; L353-E355 PolarHBondContact O-N 3.34Å; L353-M356 PolarHBondContact O-N 3.24Å; L353-L357 HydrophobicContact CG-CD1 4Å; L353-L357 VanDerWaalsContact O-CB 3.3Å; L353-L357 WeakPolarHBondContact O-CB 3.42Å; L353-L357 WeakPolarHBondContact O-CD1 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 3.01Å; L353-L377 HydrophobicContact CD2-CD2 4.15Å
354	D	96.9	Very high	94.4	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.064	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-40.5	174.9	-169.4	28.6	0	0	0	112.3	M350 M356 A358 Q383 E384 K385 F386	M350-D354 WeakPolarHBondContact O-CB 3.34Å; M350-D354 PolarHBondContact O-N 3.26Å; D354-M356 PolarHBondContact O-N 3.02Å; D354-A358 VanDerWaalsContact O-CB 3.31Å; D354-A358 WeakPolarHBondContact O-CB 3.47Å; D354-A358 PolarHBondContact O-N 3.18Å; D354-Q383 VanDerWaalsContact OD1-CA 3.28Å; D354-Q383 WeakPolarHBondContact OD1-CA 3.48Å; D354-Q383 WeakPolarHBondContact OD1-CB 3.49Å; D354-E384 PolarHBondContact OD2-N 3.17Å; D354-K385 HydrophobicContact CB-CD 4.33Å; D354-K385 PolarHBondContact OD1-N 3.42Å; D354-K385 WeakPolarHBondContact OD2-CB 3.12Å; D354-K385 WeakPolarHBondContact OD2-CD 3.35Å; D354-K385 WeakPolarHBondContact OD2-CG 3.45Å; D354-K385 PolarHBondContact OD2-N 2.87Å; D354-F386 PolarHBondContact OD1-N 3.33Å
355	E	96.8	Very high	94.8	Very high	35 Å²	35	38.1 Å²	38.1	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-39.7	175.9	-168.2	-175.8	157.4	0	0	111.9	R297 R301 A351 L352 L353 A359 K385	R297-E355 VanDerWaalsContact CD-CD 3.42Å; R297-E355 WeakPolarHBondContact CD-OE1 3.45Å; R297-E355 WeakPolarHBondContact CD-OE2 3.37Å; R297-E355 VanDerWaalsContact CG-OE1 3.29Å; R297-E355 WeakPolarHBondContact CG-OE1 3.37Å; R297-E355 IonicContact NH1-OE2 2.74Å; R301-E355 IonicContact CZ-OE1 2.83Å; R301-E355 VanDerWaalsContact CZ-OE1 3.23Å; R301-E355 IonicContact NE-OE1 3.55Å; R301-E355 PolarHBondContact NE-OE1 3.38Å; R301-E355 VanDerWaalsContact NH2-CD 3.26Å; R301-E355 IonicContact NH2-OE1 3.8Å; R301-E355 PolarHBondContact NH2-OE1 2.85Å; R301-E355 IonicContact NH2-OE2 3.68Å; R301-E355 PolarHBondContact NH2-OE2 2.95Å; R301-E355 VanDerWaalsContact NH2-OE2 3.08Å; A351-E355 PolarHBondContact O-N 3.09Å; L352-E355 PolarHBondContact O-N 3Å; L353-E355 PolarHBondContact O-N 3.34Å; E355-A359 PolarHBondContact O-N 2.84Å; E355-A359 VanDerWaalsContact O-N 3.11Å; E355-K385 HydrophobicContact CB-CD 4.32Å
356	M	97.2	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-80.4	-30.8	179.8	-64.8	-62.5	93.1	0	0	113.1	L293 R297 I331 V335 L352 L353 D354 C360	L293-M356 HydrophobicContact CB-CG 4.36Å; L293-M356 HydrophobicContact CD2-CB 3.86Å; L293-M356 HydrophobicContact CD2-CG 3.89Å; R297-M356 HydrophobicContact CB-CE 3.63Å; R297-M356 HydrophobicContact CB-SD 3.83Å; R297-M356 HydrophobicContact CG-CE 3.81Å; I331-M356 HydrophobicContact CD1-SD 4.31Å; I331-M356 HydrophobicContact CG2-CB 3.97Å; I331-M356 WeakPolarHBondContact CG2-O 3.31Å; I331-M356 HydrophobicContact CG2-SD 4.48Å; V335-M356 HydrophobicContact CG2-CB 3.87Å; L352-M356 HydrophobicContact CD1-CG 3.96Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 3.13Å; L353-M356 PolarHBondContact O-N 3.24Å; D354-M356 PolarHBondContact O-N 3.02Å; M356-C360 PolarHBondContact O-N 3.17Å; M356-C360 PolarHBondContact O-SG 3.49Å
357	L	97.1	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-49.7	166.6	-85.1	159.2	0	0	0	110.4	V335 L339 L353 A359 C360 A361 I372 F378 Q383 F386	V335-L357 HydrophobicContact CG1-CD2 3.44Å; V335-L357 VanDerWaalsContact CG1-CD2 3.44Å; V335-L357 HydrophobicContact CG1-CG 3.64Å; L339-L357 HydrophobicContact CD1-CD2 4.2Å; L353-L357 HydrophobicContact CG-CD1 4Å; L353-L357 VanDerWaalsContact O-CB 3.3Å; L353-L357 WeakPolarHBondContact O-CB 3.42Å; L353-L357 WeakPolarHBondContact O-CD1 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 3.01Å; L357-A359 PolarHBondContact O-N 2.95Å; L357-C360 PolarHBondContact O-N 3.47Å; L357-C360 PolarHBondContact O-SG 2.83Å; L357-A361 PolarHBondContact O-N 3.08Å; L357-I372 HydrophobicContact CD2-CD1 3.92Å; L357-I372 HydrophobicContact CD2-CG1 4.13Å; L357-I372 HydrophobicContact CD2-CG2 3.78Å; L357-F378 HydrophobicContact CD1-CD2 3.78Å; L357-F378 HydrophobicContact CD1-CE2 3.9Å; L357-F378 HydrophobicContact CD2-CE2 4.44Å; L357-Q383 HydrophobicContact CD1-CG 4.42Å; L357-F386 HydrophobicContact CB-CB 3.76Å; L357-F386 HydrophobicContact CB-CD2 3.71Å; L357-F386 HydrophobicContact CB-CE2 4.49Å; L357-F386 HydrophobicContact CB-CG 3.81Å; L357-F386 HydrophobicContact CD2-CD2 4.27Å; L357-F386 HydrophobicContact CD2-CE2 4.32Å; L357-F386 HydrophobicContact CD2-CG 4.43Å; L357-F386 WeakPolarHBondContact O-CD2 3.3Å
358	A	96.4	Very high	95.5	Very high	16 Å²	16	33.5 Å²	33.5	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-47.8	178	0	0	0	0	0	112.1	D354 C360 A361 K385 S389	D354-A358 VanDerWaalsContact O-CB 3.31Å; D354-A358 WeakPolarHBondContact O-CB 3.47Å; D354-A358 PolarHBondContact O-N 3.18Å; A358-C360 PolarHBondContact O-N 2.74Å; A358-C360 VanDerWaalsContact O-N 3.15Å; A358-A361 WeakPolarHBondContact O-CB 3.43Å; A358-A361 PolarHBondContact O-N 3.4Å; A358-K385 HydrophobicContact CB-CB 3.91Å; A358-S389 PolarHBondContact O-OG 3.25Å
359	A	94.1	Very high	95.7	Very high	15 Å²	15	28.5 Å²	28.5	12%	0.124	15%	0.148	C	C	.	.	H	α-helix	trans	-50.4	-42.7	178.4	0	0	0	0	0	113	W300 N328 I331 E355 L357	W300-A359 HydrophobicContact CD2-CB 4.05Å; W300-A359 HydrophobicContact CG-CB 4.34Å; W300-A359 HydrophobicContact CZ2-CB 4.02Å; N328-A359 VanDerWaalsContact CG-O 3.25Å; N328-A359 PolarHBondContact ND2-O 3.38Å; N328-A359 VanDerWaalsContact OD1-C 3.3Å; N328-A359 PolarHBondContact OD1-O 3.42Å; I331-A359 HydrophobicContact CD1-CB 4.34Å; E355-A359 PolarHBondContact O-N 2.84Å; E355-A359 VanDerWaalsContact O-N 3.11Å; L357-A359 PolarHBondContact O-N 2.95Å
360	C	94.8	Very high	95.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	12.5	-174.3	70.4	0	0	0	0	115.5	I331 L332 M356 L357 A358 R362 E363 A364	I331-C360 HydrophobicContact CB-CB 4.36Å; I331-C360 HydrophobicContact CG2-CB 4Å; L332-C360 HydrophobicContact CB-CB 3.96Å; M356-C360 PolarHBondContact O-N 3.17Å; M356-C360 PolarHBondContact O-SG 3.49Å; L357-C360 PolarHBondContact O-N 3.47Å; L357-C360 PolarHBondContact O-SG 2.83Å; A358-C360 PolarHBondContact O-N 2.74Å; A358-C360 VanDerWaalsContact O-N 3.15Å; C360-R362 PolarHBondContact O-N 3.01Å; C360-E363 PolarHBondContact O-N 3.28Å; C360-A364 PolarHBondContact O-N 3.49Å
361	A	94.7	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.6	-178.5	0	0	0	0	0	113.3	L357 A358 F386 K397	L357-A361 PolarHBondContact O-N 3.08Å; A358-A361 WeakPolarHBondContact O-CB 3.43Å; A358-A361 PolarHBondContact O-N 3.4Å; A361-F386 HydrophobicContact CB-CD2 4Å; A361-F386 HydrophobicContact CB-CE2 3.84Å; A361-K397 PolarHBondContact O-NZ 3.22Å
362	R	92.5	Very high	96.1	Very high	117 Å²	117	29.9 Å²	29.9	44%	0.442	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-53.1	175.4	-177.8	177.2	-68.5	163.7	4.2	111.3	C360 A364 E393 K397	C360-R362 PolarHBondContact O-N 3.01Å; R362-A364 VanDerWaalsContact C-N 3.29Å; R362-A364 PolarHBondContact O-N 3.19Å; R362-E393 HydrophobicContact CB-CG 3.93Å; R362-E393 HydrophobicContact CG-CG 4.44Å; R362-E393 IonicContact CZ-OE1 3.38Å; R362-E393 VanDerWaalsContact CZ-OE1 3.24Å; R362-E393 VanDerWaalsContact NE-CD 3.32Å; R362-E393 IonicContact NE-OE1 2.65Å; R362-E393 PolarHBondContact NE-OE1 3.09Å; R362-E393 IonicContact NE-OE2 3.43Å; R362-E393 PolarHBondContact NE-OE2 3.41Å; R362-E393 IonicContact NH2-OE1 3.89Å; R362-E393 PolarHBondContact NH2-OE1 3.12Å; R362-K397 PolarHBondContact O-NZ 3.37Å
363	E	93.2	Very high	96.1	Very high	42 Å²	42	29.7 Å²	29.7	20%	0.196	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.4	-176.1	-59.9	74.1	-167.6	0	0	113.5	N328 L332 C360 S365	N328-E363 VanDerWaalsContact CB-CD 3.43Å; N328-E363 HydrophobicContact CB-CG 4.09Å; N328-E363 WeakPolarHBondContact CB-OE2 3.47Å; N328-E363 PolarHBondContact ND2-OE1 3.4Å; N328-E363 PolarHBondContact ND2-OE2 3.45Å; L332-E363 HydrophobicContact CD2-CB 4.42Å; C360-E363 PolarHBondContact O-N 3.28Å; E363-S365 PolarHBondContact O-N 2.8Å
364	A	95.3	Very high	96	Very high	2 Å²	2	33 Å²	33	2%	0.017	17%	0.171	C	C	.	.			trans	-62.6	108.5	177	0	0	0	0	0	112	L332 C360 R362 L369 K397	L332-A364 HydrophobicContact CD1-CB 4.28Å; C360-A364 PolarHBondContact O-N 3.49Å; R362-A364 VanDerWaalsContact C-N 3.29Å; R362-A364 PolarHBondContact O-N 3.19Å; A364-L369 HydrophobicContact CB-CD2 3.63Å; A364-L369 HydrophobicContact CB-CG 3.98Å; A364-K397 PolarHBondContact O-NZ 2.77Å
365	S	95.6	Very high	95.9	Very high	66 Å²	66	33 Å²	33	46%	0.462	17%	0.172	S	C	.	.			trans	-80	166.2	171.8	58	0	0	0	0	112.5	E363 K367 S368 L369	E363-S365 PolarHBondContact O-N 2.8Å; S365-K367 PolarHBondContact O-N 2.84Å; S365-S368 CarbonylContact O-C 3.52Å; S365-S368 WeakPolarHBondContact O-CA 3.29Å; S365-S368 VanDerWaalsContact O-CB 3.26Å; S365-S368 WeakPolarHBondContact O-CB 3.45Å; S365-S368 PolarHBondContact O-N 2.92Å; S365-S368 PolarHBondContact OG-OG 2.84Å; S365-L369 PolarHBondContact O-N 3.01Å
366	N	96.4	Very high	95.8	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-45.7	-57.4	177.5	-68.1	-66.7	0	0	0	112.8	S368 L369 E370 S400 I401 T402 T405	N366-S368 PolarHBondContact O-N 3Å; N366-L369 PolarHBondContact O-N 2.69Å; N366-L369 VanDerWaalsContact O-N 3.11Å; N366-E370 VanDerWaalsContact O-CB 3.32Å; N366-E370 WeakPolarHBondContact O-CB 3.35Å; N366-E370 VanDerWaalsContact O-CG 3.24Å; N366-E370 WeakPolarHBondContact O-CG 3.5Å; N366-E370 PolarHBondContact O-N 3.11Å; N366-S400 PolarHBondContact ND2-O 3.2Å; N366-I401 WeakPolarHBondContact OD1-CA 3.3Å; N366-T402 HydrophobicContact CB-CG2 4.17Å; N366-T402 PolarHBondContact OD1-N 3.06Å; N366-T405 WeakPolarHBondContact CB-OG1 3.48Å; N366-T405 WeakPolarHBondContact OD1-CB 3.26Å; N366-T405 PolarHBondContact OD1-OG1 3.43Å
367	K	96.8	Very high	95.6	Very high	172 Å²	172	37.5 Å²	37.5	75%	0.748	19%	0.193	S	C	*	.	H	α-helix	trans	-59	-12.4	176.1	-64.7	-172.4	178.3	-175.5	0	115.3	S365 E370	S365-K367 PolarHBondContact O-N 2.84Å; K367-E370 WeakPolarHBondContact CA-OE2 3.08Å; K367-E370 PolarHBondContact N-OE2 3.41Å
368	S	97.2	Very high	95.5	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-96.5	-44.6	176.3	-55.2	0	0	0	0	111.1	K336 S365 N366 L371 I372	K336-S368 PolarHBondContact NZ-OG 2.95Å; S365-S368 CarbonylContact O-C 3.52Å; S365-S368 WeakPolarHBondContact O-CA 3.29Å; S365-S368 VanDerWaalsContact O-CB 3.26Å; S365-S368 WeakPolarHBondContact O-CB 3.45Å; S365-S368 PolarHBondContact O-N 2.92Å; S365-S368 PolarHBondContact OG-OG 2.84Å; N366-S368 PolarHBondContact O-N 3Å; S368-L371 PolarHBondContact O-N 2.81Å; S368-I372 WeakPolarHBondContact O-CD1 3.44Å; S368-I372 VanDerWaalsContact O-CG1 3.24Å; S368-I372 WeakPolarHBondContact O-CG1 3.23Å; S368-I372 PolarHBondContact O-N 2.97Å
369	L	97.3	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-44	171.2	-63.4	171.5	0	0	0	110.8	A364 S365 N366 L371 I372 F373 F386 L390 I401 T405	A364-L369 HydrophobicContact CB-CD2 3.63Å; A364-L369 HydrophobicContact CB-CG 3.98Å; S365-L369 PolarHBondContact O-N 3.01Å; N366-L369 PolarHBondContact O-N 2.69Å; N366-L369 VanDerWaalsContact O-N 3.11Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 3.09Å; L369-I372 PolarHBondContact O-N 3.35Å; L369-F373 HydrophobicContact CB-CD2 4.26Å; L369-F373 HydrophobicContact CB-CE2 4.48Å; L369-F373 HydrophobicContact CD2-CE2 4.21Å; L369-F373 WeakPolarHBondContact O-CB 3.44Å; L369-F373 VanDerWaalsContact O-CD2 3.29Å; L369-F373 WeakPolarHBondContact O-CD2 3.47Å; L369-F373 PolarHBondContact O-N 3.47Å; L369-F386 HydrophobicContact CD2-CZ 4.05Å; L369-L390 HydrophobicContact CD2-CD1 4.15Å; L369-I401 HydrophobicContact CD1-CD1 4.19Å; L369-T405 HydrophobicContact CB-CG2 3.88Å; L369-T405 HydrophobicContact CD1-CG2 3.78Å; L369-T405 HydrophobicContact CG-CG2 4.49Å
370	E	97.3	Very high	95.2	Very high	39 Å²	39	42.3 Å²	42.3	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-41.9	175.5	-74.2	157.6	-177	0	0	112.1	N366 K367 S374 T402 Y404 T405 L408	N366-E370 VanDerWaalsContact O-CB 3.32Å; N366-E370 WeakPolarHBondContact O-CB 3.35Å; N366-E370 VanDerWaalsContact O-CG 3.24Å; N366-E370 WeakPolarHBondContact O-CG 3.5Å; N366-E370 PolarHBondContact O-N 3.11Å; K367-E370 WeakPolarHBondContact CA-OE2 3.08Å; K367-E370 PolarHBondContact N-OE2 3.41Å; E370-S374 WeakPolarHBondContact O-CB 3.41Å; E370-S374 PolarHBondContact O-N 2.84Å; E370-S374 PolarHBondContact O-OG 3.37Å; E370-T402 PolarHBondContact OE1-OG1 3.25Å; E370-T402 VanDerWaalsContact OE1-OG1 3.04Å; E370-Y404 HydrophobicContact CB-CE1 4.47Å; E370-Y404 HydrophobicContact CG-CD1 3.79Å; E370-Y404 HydrophobicContact CG-CE1 3.9Å; E370-T405 VanDerWaalsContact CD-OG1 3.3Å; E370-T405 VanDerWaalsContact CG-OG1 3.25Å; E370-T405 WeakPolarHBondContact CG-OG1 3.28Å; E370-T405 PolarHBondContact OE1-OG1 3.31Å; E370-L408 HydrophobicContact CB-CD1 4.27Å; E370-L408 HydrophobicContact CG-CD1 4.06Å
371	L	97.1	Very high	95.1	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-69.4	-45.8	175.1	-171.7	157.3	0	0	0	111.6	K336 S368 L369 S374 S375	K336-L371 HydrophobicContact CB-CD1 4.48Å; K336-L371 HydrophobicContact CB-CD2 3.98Å; K336-L371 HydrophobicContact CG-CD2 4.19Å; S368-L371 PolarHBondContact O-N 2.81Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 3.09Å; L371-S374 PolarHBondContact O-N 3.43Å; L371-S375 PolarHBondContact O-N 3.19Å
372	I	97.3	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-55.7	-179.8	-69.5	162.1	0	0	0	110.4	L332 K336 L339 L357 S368 L369 S374 S375 F378 F386	L332-I372 HydrophobicContact CD1-CD1 4.22Å; K336-I372 HydrophobicContact CG-CG1 4.43Å; L339-I372 HydrophobicContact CD1-CB 4.34Å; L339-I372 HydrophobicContact CD1-CG1 3.99Å; L339-I372 HydrophobicContact CD1-CG2 4.18Å; L357-I372 HydrophobicContact CD2-CD1 3.92Å; L357-I372 HydrophobicContact CD2-CG1 4.13Å; L357-I372 HydrophobicContact CD2-CG2 3.78Å; S368-I372 WeakPolarHBondContact O-CD1 3.44Å; S368-I372 VanDerWaalsContact O-CG1 3.24Å; S368-I372 WeakPolarHBondContact O-CG1 3.23Å; S368-I372 PolarHBondContact O-N 2.97Å; L369-I372 PolarHBondContact O-N 3.35Å; I372-S374 PolarHBondContact O-N 3.07Å; I372-S375 WeakPolarHBondContact O-CB 3.37Å; I372-S375 PolarHBondContact O-N 3.05Å; I372-S375 VanDerWaalsContact O-N 3.14Å; I372-F378 HydrophobicContact CG2-CD1 4.06Å; I372-F378 HydrophobicContact CG2-CD2 3.59Å; I372-F378 HydrophobicContact CG2-CE1 4.09Å; I372-F378 HydrophobicContact CG2-CE2 3.6Å; I372-F378 HydrophobicContact CG2-CG 3.84Å; I372-F378 HydrophobicContact CG2-CZ 3.88Å; I372-F378 VanDerWaalsContact O-CB 3.3Å; I372-F378 WeakPolarHBondContact O-CB 3.23Å; I372-F378 VanDerWaalsContact O-CD1 3.25Å; I372-F378 WeakPolarHBondContact O-CD1 3.34Å; I372-F378 WeakPolarHBondContact O-CG 3.2Å; I372-F386 HydrophobicContact CG2-CE1 4.04Å; I372-F386 HydrophobicContact CG2-CZ 4.2Å
373	F	96.6	Very high	94.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-16.3	-178.8	-75.5	-74.8	0	0	0	114.3	L369 F378 F386 I387 L390 L408 I409 Y412	L369-F373 HydrophobicContact CB-CD2 4.26Å; L369-F373 HydrophobicContact CB-CE2 4.48Å; L369-F373 HydrophobicContact CD2-CE2 4.21Å; L369-F373 WeakPolarHBondContact O-CB 3.44Å; L369-F373 VanDerWaalsContact O-CD2 3.29Å; L369-F373 WeakPolarHBondContact O-CD2 3.47Å; L369-F373 PolarHBondContact O-N 3.47Å; F373-F378 HydrophobicContact CD1-CD1 4.31Å; F373-F378 AromaticContact CD1-CE1 3.45Å; F373-F378 HydrophobicContact CD1-CE1 3.45Å; F373-F378 VanDerWaalsContact CD1-CE1 3.45Å; F373-F378 HydrophobicContact CD1-CZ 4.18Å; F373-F378 AromaticContact CE1-CE1 3.62Å; F373-F378 HydrophobicContact CE1-CE1 3.62Å; F373-F378 AromaticContact CE1-CZ 3.91Å; F373-F378 HydrophobicContact CE1-CZ 3.91Å; F373-F378 HydrophobicContact CG-CE1 4.14Å; F373-F378 HydrophobicContact CZ-CE1 4.43Å; F373-F378 HydrophobicContact CZ-CZ 4.38Å; F373-F386 HydrophobicContact CE2-CE1 4.03Å; F373-F386 HydrophobicContact CE2-CZ 4.38Å; F373-F386 AromaticContact CZ-CE1 3.78Å; F373-F386 HydrophobicContact CZ-CE1 3.78Å; F373-I387 HydrophobicContact CE1-CD1 4.21Å; F373-I387 HydrophobicContact CZ-CD1 4.16Å; F373-L390 HydrophobicContact CE2-CD2 3.96Å; F373-L390 HydrophobicContact CZ-CD2 3.71Å; F373-L408 HydrophobicContact CB-CB 3.88Å; F373-L408 HydrophobicContact CB-CD1 4.46Å; F373-L408 HydrophobicContact CG-CB 4.42Å; F373-I409 HydrophobicContact CD2-CG1 3.98Å; F373-I409 HydrophobicContact CE1-CG1 4.47Å; F373-I409 HydrophobicContact CE2-CD1 4.38Å; F373-I409 HydrophobicContact CE2-CG1 3.46Å; F373-I409 VanDerWaalsContact CE2-CG1 3.46Å; F373-I409 HydrophobicContact CZ-CB 4.41Å; F373-I409 HydrophobicContact CZ-CG1 3.76Å; F373-Y412 HydrophobicContact CD1-CD1 4.39Å; F373-Y412 HydrophobicContact CD1-CD2 4.1Å; F373-Y412 AromaticContact CD1-CG 3.77Å; F373-Y412 HydrophobicContact CD1-CG 3.77Å; F373-Y412 AromaticContact CE1-CD1 3.8Å; F373-Y412 HydrophobicContact CE1-CD1 3.8Å; F373-Y412 HydrophobicContact CE1-CD2 4.29Å; F373-Y412 AromaticContact CE1-CG 3.65Å; F373-Y412 HydrophobicContact CE1-CG 3.65Å
374	S	95.6	Very high	94.8	Very high	70 Å²	70	46.2 Å²	46.2	49%	0.49	23%	0.228	S	C	.	.	H	α-helix	trans	-95.2	-10.6	173.8	-54	0	0	0	0	114	E370 L371 I372 H376	E370-S374 WeakPolarHBondContact O-CB 3.41Å; E370-S374 PolarHBondContact O-N 2.84Å; E370-S374 PolarHBondContact O-OG 3.37Å; L371-S374 PolarHBondContact O-N 3.43Å; I372-S374 PolarHBondContact O-N 3.07Å; S374-H376 PolarHBondContact O-N 3.32Å
375	S	95.5	Very high	94.8	Very high	11 Å²	11	50.4 Å²	50.4	8%	0.077	25%	0.246	C	C	.	.			trans	-66.6	132.7	175.1	172.2	0	0	0	0	110.3	L339 L371 I372 L377 F378 Y379	L339-S375 WeakPolarHBondContact O-CB 3.3Å; L339-S375 PolarHBondContact O-OG 3.41Å; L371-S375 PolarHBondContact O-N 3.19Å; I372-S375 WeakPolarHBondContact O-CB 3.37Å; I372-S375 PolarHBondContact O-N 3.05Å; I372-S375 VanDerWaalsContact O-N 3.14Å; S375-L377 PolarHBondContact O-N 3.2Å; S375-F378 PolarHBondContact O-N 3.03Å; S375-Y379 VanDerWaalsContact O-CB 3.23Å; S375-Y379 WeakPolarHBondContact O-CB 3.3Å; S375-Y379 PolarHBondContact O-N 2.85Å
376	H	93.5	Very high	94.8	Very high	125 Å²	125	47.3 Å²	47.3	58%	0.579	22%	0.224	S	C	*	.	H	α-helix	trans	-59.4	-47	179.2	-166.4	81.3	0	0	0	111.6	S374 F378 Y379 Q380	S374-H376 PolarHBondContact O-N 3.32Å; H376-F378 PolarHBondContact O-N 3.05Å; H376-Y379 PolarHBondContact O-N 2.94Å; H376-Q380 PolarHBondContact CD2-OE1 2.69Å; H376-Q380 VanDerWaalsContact NE2-CD 3.34Å; H376-Q380 PolarHBondContact NE2-NE2 3.48Å; H376-Q380 PolarHBondContact NE2-OE1 3.14Å; H376-Q380 WeakPolarHBondContact O-CB 3.49Å; H376-Q380 WeakPolarHBondContact O-CG 3.06Å; H376-Q380 PolarHBondContact O-N 3.33Å
377	L	93.5	Very high	94.8	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179.1	-178.2	64.6	0	0	0	111.7	L339 V345 M350 L353 S375 N381	L339-L377 HydrophobicContact CD2-CB 4.35Å; L339-L377 HydrophobicContact CD2-CD2 4.33Å; L339-L377 HydrophobicContact CD2-CG 4.48Å; V345-L377 HydrophobicContact CG1-CD2 4.05Å; V345-L377 HydrophobicContact CG2-CD1 4.46Å; M350-L377 HydrophobicContact SD-CD1 3.79Å; M350-L377 HydrophobicContact SD-CD2 4.28Å; M350-L377 HydrophobicContact SD-CG 3.95Å; L353-L377 HydrophobicContact CD2-CD2 4.15Å; S375-L377 PolarHBondContact O-N 3.2Å; L377-N381 PolarHBondContact O-N 3.02Å; L377-N381 PolarHBondContact O-ND2 3.36Å
378	F	95.1	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-48.1	175.4	-179.8	-87.1	0	0	0	111.7	L339 L357 I372 F373 S375 H376 Q380 N381 Q383 F386 Y412	L339-F378 HydrophobicContact CD1-CB 4.35Å; L339-F378 HydrophobicContact CD2-CB 3.84Å; L357-F378 HydrophobicContact CD1-CD2 3.78Å; L357-F378 HydrophobicContact CD1-CE2 3.9Å; L357-F378 HydrophobicContact CD2-CE2 4.44Å; I372-F378 HydrophobicContact CG2-CD1 4.06Å; I372-F378 HydrophobicContact CG2-CD2 3.59Å; I372-F378 HydrophobicContact CG2-CE1 4.09Å; I372-F378 HydrophobicContact CG2-CE2 3.6Å; I372-F378 HydrophobicContact CG2-CG 3.84Å; I372-F378 HydrophobicContact CG2-CZ 3.88Å; I372-F378 VanDerWaalsContact O-CB 3.3Å; I372-F378 WeakPolarHBondContact O-CB 3.23Å; I372-F378 VanDerWaalsContact O-CD1 3.25Å; I372-F378 WeakPolarHBondContact O-CD1 3.34Å; I372-F378 WeakPolarHBondContact O-CG 3.2Å; F373-F378 HydrophobicContact CD1-CD1 4.31Å; F373-F378 AromaticContact CD1-CE1 3.45Å; F373-F378 HydrophobicContact CD1-CE1 3.45Å; F373-F378 VanDerWaalsContact CD1-CE1 3.45Å; F373-F378 HydrophobicContact CD1-CZ 4.18Å; F373-F378 AromaticContact CE1-CE1 3.62Å; F373-F378 HydrophobicContact CE1-CE1 3.62Å; F373-F378 AromaticContact CE1-CZ 3.91Å; F373-F378 HydrophobicContact CE1-CZ 3.91Å; F373-F378 HydrophobicContact CG-CE1 4.14Å; F373-F378 HydrophobicContact CZ-CE1 4.43Å; F373-F378 HydrophobicContact CZ-CZ 4.38Å; S375-F378 PolarHBondContact O-N 3.03Å; H376-F378 PolarHBondContact O-N 3.05Å; F378-Q380 VanDerWaalsContact C-N 3.32Å; F378-Q380 PolarHBondContact O-N 2.99Å; F378-N381 PolarHBondContact O-N 3.18Å; F378-Q383 HydrophobicContact CD2-CB 4.42Å; F378-Q383 HydrophobicContact CD2-CG 3.82Å; F378-Q383 HydrophobicContact CE2-CB 3.78Å; F378-Q383 HydrophobicContact CE2-CG 3.7Å; F378-Q383 HydrophobicContact CZ-CB 4.33Å; F378-Q383 HydrophobicContact CZ-CG 4.49Å; F378-F386 AromaticContact CE2-CD1 3.53Å; F378-F386 HydrophobicContact CE2-CD1 3.53Å; F378-F386 AromaticContact CE2-CE1 3.84Å; F378-F386 HydrophobicContact CE2-CE1 3.84Å; F378-F386 HydrophobicContact CE2-CG 4.4Å; F378-F386 AromaticContact CZ-CD1 3.53Å; F378-F386 HydrophobicContact CZ-CD1 3.53Å; F378-F386 AromaticContact CZ-CE1 3.61Å; F378-F386 HydrophobicContact CZ-CE1 3.61Å; F378-Y412 HydrophobicContact CD1-CD2 4.08Å; F378-Y412 AromaticContact CD1-CE2 3.75Å; F378-Y412 HydrophobicContact CD1-CE2 3.75Å; F378-Y412 HydrophobicContact CE1-CD1 4.45Å; F378-Y412 AromaticContact CE1-CD2 3.54Å; F378-Y412 HydrophobicContact CE1-CD2 3.54Å; F378-Y412 HydrophobicContact CE1-CE1 4.25Å; F378-Y412 AromaticContact CE1-CE2 3.29Å; F378-Y412 HydrophobicContact CE1-CE2 3.29Å; F378-Y412 HydrophobicContact CE1-CG 4.12Å; F378-Y412 AromaticContact CE1-CZ 3.69Å; F378-Y412 HydrophobicContact CZ-CD2 4.44Å; F378-Y412 HydrophobicContact CZ-CE1 4.25Å; F378-Y412 AromaticContact CZ-CE2 3.94Å; F378-Y412 HydrophobicContact CZ-CE2 3.94Å; F378-Y412 AromaticContact CZ-CZ 3.83Å; F378-Y412 WeakPolarHBondContact O-CE2 3.25Å
379	Y	92.5	Very high	94.7	Very high	39 Å²	39	42.9 Å²	42.9	15%	0.153	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-27.1	-173.6	-174.1	-99.1	0	0	0	113.6	S375 H376 K411 Y412 R415 H416	S375-Y379 VanDerWaalsContact O-CB 3.23Å; S375-Y379 WeakPolarHBondContact O-CB 3.3Å; S375-Y379 PolarHBondContact O-N 2.85Å; H376-Y379 PolarHBondContact O-N 2.94Å; Y379-K411 HydrophobicContact CE2-CD 4.01Å; Y379-K411 HydrophobicContact CE2-CG 4.28Å; Y379-K411 WeakPolarHBondContact OH-CE 3.34Å; Y379-K411 PolarHBondContact OH-NZ 2.87Å; Y379-Y412 HydrophobicContact CD2-CD2 4.16Å; Y379-R415 VanDerWaalsContact CE1-CD 3.4Å; Y379-R415 PolarHBondContact O-NE 3.18Å; Y379-R415 VanDerWaalsContact O-NE 3.12Å; Y379-H416 PolarHBondContact O-NE2 3.23Å
380	Q	91.7	Very high	94.7	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-76.4	-36.1	172.6	-76.4	179.7	-37	0	0	113.4	H376 F378 H416	H376-Q380 PolarHBondContact CD2-OE1 2.69Å; H376-Q380 VanDerWaalsContact NE2-CD 3.34Å; H376-Q380 PolarHBondContact NE2-NE2 3.48Å; H376-Q380 PolarHBondContact NE2-OE1 3.14Å; H376-Q380 WeakPolarHBondContact O-CB 3.49Å; H376-Q380 WeakPolarHBondContact O-CG 3.06Å; H376-Q380 PolarHBondContact O-N 3.33Å; F378-Q380 VanDerWaalsContact C-N 3.32Å; F378-Q380 PolarHBondContact O-N 2.99Å; Q380-H416 PolarHBondContact O-CE1 2.93Å
381	N	91.8	Very high	94.7	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.241	20%	0.202	C	C	.	.	S	Bend	trans	-94.4	152.4	-174.5	-71.9	-75.8	0	0	0	112.6	M350 L377 F378 Y412 H416	M350-N381 HydrophobicContact CE-CB 3.68Å; M350-N381 HydrophobicContact SD-CB 4.49Å; L377-N381 PolarHBondContact O-N 3.02Å; L377-N381 PolarHBondContact O-ND2 3.36Å; F378-N381 PolarHBondContact O-N 3.18Å; N381-Y412 PolarHBondContact O-OH 3.22Å; N381-H416 PolarHBondContact O-NE2 3.48Å
382	R	90.5	Very high	94.6	Very high	122 Å²	122	42.4 Å²	42.4	46%	0.46	21%	0.207	S	C	.	.			trans	-82.7	131.6	169.1	-69.6	-173.9	-60.9	-82.1	-0.7	109.3	Y412 H416 H806	R382-Y412 WeakPolarHBondContact CA-OH 3.36Å; R382-H416 HydrophobicContact CG-CB 4.07Å; R382-H416 WeakPolarHBondContact CG-ND1 3.18Å; R382-H806 PolarHBondContact NE-CE1 3.32Å; R382-H806 VanDerWaalsContact NE-CE1 3.32Å; R382-H806 PolarHBondContact NE-NE2 3.11Å
383	Q	92.2	Very high	94.5	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.023	21%	0.21	C	C	.	.			trans	-128.2	74	-177	-62.8	-70.7	-98.7	0	0	108.3	M350 D354 L357 F378 F386 I387 Y412	M350-Q383 VanDerWaalsContact CE-CD 3.41Å; M350-Q383 HydrophobicContact CE-CG 4.4Å; M350-Q383 VanDerWaalsContact CE-NE2 3.27Å; M350-Q383 VanDerWaalsContact CE-OE1 3.3Å; D354-Q383 VanDerWaalsContact OD1-CA 3.28Å; D354-Q383 WeakPolarHBondContact OD1-CA 3.48Å; D354-Q383 WeakPolarHBondContact OD1-CB 3.49Å; L357-Q383 HydrophobicContact CD1-CG 4.42Å; F378-Q383 HydrophobicContact CD2-CB 4.42Å; F378-Q383 HydrophobicContact CD2-CG 3.82Å; F378-Q383 HydrophobicContact CE2-CB 3.78Å; F378-Q383 HydrophobicContact CE2-CG 3.7Å; F378-Q383 HydrophobicContact CZ-CB 4.33Å; F378-Q383 HydrophobicContact CZ-CG 4.49Å; Q383-F386 HydrophobicContact CB-CB 4.24Å; Q383-F386 PolarHBondContact O-N 3.34Å; Q383-I387 WeakPolarHBondContact O-CG1 3.48Å; Q383-I387 PolarHBondContact O-N 3.28Å; Q383-I387 VanDerWaalsContact O-N 3.09Å; Q383-Y412 PolarHBondContact N-OH 3.08Å
384	E	91.8	Very high	94.4	Very high	70 Å²	70	42.9 Å²	42.9	33%	0.327	21%	0.209	S	C	.	.	H	α-helix	trans	-71.4	-36.4	-167.6	-67.8	177.8	-135.4	0	0	111.8	D354 F386 I387 N388 H806 N807	D354-E384 PolarHBondContact OD2-N 3.17Å; E384-F386 VanDerWaalsContact C-N 3.35Å; E384-F386 PolarHBondContact O-N 3.05Å; E384-I387 PolarHBondContact O-N 3.44Å; E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 3.21Å; E384-N388 PolarHBondContact O-OD1 2.96Å; E384-H806 IonicContact OE1-CD2 3.94Å; E384-H806 IonicContact OE1-CE1 3.35Å; E384-H806 IonicContact OE1-NE2 3.25Å; E384-H806 PolarHBondContact OE1-NE2 3.46Å; E384-H806 IonicContact OE2-NE2 3.35Å; E384-N807 PolarHBondContact OE2-ND2 2.8Å
385	K	94.9	Very high	94.4	Very high	91 Å²	91	42.1 Å²	42.1	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-42.3	176.1	-57.6	167.3	-168.8	170.8	0	110.9	A351 D354 E355 A358 N388 S389	A351-K385 PolarHBondContact O-NZ 2.84Å; D354-K385 HydrophobicContact CB-CD 4.33Å; D354-K385 PolarHBondContact OD1-N 3.42Å; D354-K385 WeakPolarHBondContact OD2-CB 3.12Å; D354-K385 WeakPolarHBondContact OD2-CD 3.35Å; D354-K385 WeakPolarHBondContact OD2-CG 3.45Å; D354-K385 PolarHBondContact OD2-N 2.87Å; E355-K385 HydrophobicContact CB-CD 4.32Å; A358-K385 HydrophobicContact CB-CB 3.91Å; K385-N388 PolarHBondContact O-N 3.03Å; K385-S389 PolarHBondContact O-N 3.47Å
386	F	97.1	Very high	94.4	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.2	174.9	-115.8	0	0	0	112.2	D354 L357 A361 L369 I372 F373 F378 Q383 E384 S389 L390	D354-F386 PolarHBondContact OD1-N 3.33Å; L357-F386 HydrophobicContact CB-CB 3.76Å; L357-F386 HydrophobicContact CB-CD2 3.71Å; L357-F386 HydrophobicContact CB-CE2 4.49Å; L357-F386 HydrophobicContact CB-CG 3.81Å; L357-F386 HydrophobicContact CD2-CD2 4.27Å; L357-F386 HydrophobicContact CD2-CE2 4.32Å; L357-F386 HydrophobicContact CD2-CG 4.43Å; L357-F386 WeakPolarHBondContact O-CD2 3.3Å; A361-F386 HydrophobicContact CB-CD2 4Å; A361-F386 HydrophobicContact CB-CE2 3.84Å; L369-F386 HydrophobicContact CD2-CZ 4.05Å; I372-F386 HydrophobicContact CG2-CE1 4.04Å; I372-F386 HydrophobicContact CG2-CZ 4.2Å; F373-F386 HydrophobicContact CE2-CE1 4.03Å; F373-F386 HydrophobicContact CE2-CZ 4.38Å; F373-F386 AromaticContact CZ-CE1 3.78Å; F373-F386 HydrophobicContact CZ-CE1 3.78Å; F378-F386 AromaticContact CE2-CD1 3.53Å; F378-F386 HydrophobicContact CE2-CD1 3.53Å; F378-F386 AromaticContact CE2-CE1 3.84Å; F378-F386 HydrophobicContact CE2-CE1 3.84Å; F378-F386 HydrophobicContact CE2-CG 4.4Å; F378-F386 AromaticContact CZ-CD1 3.53Å; F378-F386 HydrophobicContact CZ-CD1 3.53Å; F378-F386 AromaticContact CZ-CE1 3.61Å; F378-F386 HydrophobicContact CZ-CE1 3.61Å; Q383-F386 HydrophobicContact CB-CB 4.24Å; Q383-F386 PolarHBondContact O-N 3.34Å; E384-F386 VanDerWaalsContact C-N 3.35Å; E384-F386 PolarHBondContact O-N 3.05Å; F386-S389 PolarHBondContact O-N 3.36Å; F386-L390 HydrophobicContact CE1-CD2 4.28Å; F386-L390 HydrophobicContact CZ-CD2 4.29Å; F386-L390 VanDerWaalsContact O-CB 3.24Å; F386-L390 WeakPolarHBondContact O-CB 3.1Å; F386-L390 PolarHBondContact O-N 3.26Å
387	I	96.3	Very high	94.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-41.4	178.2	-69.9	-63.8	0	0	0	111.5	F373 Q383 E384 L390 A391 Y412 L418 E420 L423	F373-I387 HydrophobicContact CE1-CD1 4.21Å; F373-I387 HydrophobicContact CZ-CD1 4.16Å; Q383-I387 WeakPolarHBondContact O-CG1 3.48Å; Q383-I387 PolarHBondContact O-N 3.28Å; Q383-I387 VanDerWaalsContact O-N 3.09Å; E384-I387 PolarHBondContact O-N 3.44Å; I387-L390 PolarHBondContact O-N 3.24Å; I387-A391 WeakPolarHBondContact O-CB 3.45Å; I387-A391 PolarHBondContact O-N 2.65Å; I387-Y412 HydrophobicContact CD1-CD1 3.79Å; I387-Y412 HydrophobicContact CD1-CE1 3.74Å; I387-Y412 HydrophobicContact CG1-CD1 4.28Å; I387-Y412 HydrophobicContact CG1-CE1 3.76Å; I387-L418 HydrophobicContact CB-CD1 4.37Å; I387-L418 HydrophobicContact CG1-CD1 3.9Å; I387-L418 HydrophobicContact CG2-CD1 4.15Å; I387-E420 HydrophobicContact CG2-CB 4.32Å; I387-L423 HydrophobicContact CD1-CD2 4.46Å; I387-L423 HydrophobicContact CG2-CD2 3.86Å
388	N	95.4	Very high	94.4	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-44.8	177.3	-65	1	0	0	0	111.3	E384 K385 A391 E392	E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 3.21Å; E384-N388 PolarHBondContact O-OD1 2.96Å; K385-N388 PolarHBondContact O-N 3.03Å; N388-A391 WeakPolarHBondContact O-CB 3.35Å; N388-A391 PolarHBondContact O-N 2.77Å; N388-E392 WeakPolarHBondContact O-CG 3.48Å; N388-E392 PolarHBondContact O-N 3.27Å
389	S	96.4	Very high	94.3	Very high	30 Å²	30	49 Å²	49	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-37.6	175.4	-174.4	0	0	0	0	112.7	A358 K385 F386 A391 E392 E393	A358-S389 PolarHBondContact O-OG 3.25Å; K385-S389 PolarHBondContact O-N 3.47Å; F386-S389 PolarHBondContact O-N 3.36Å; S389-A391 VanDerWaalsContact C-N 3.3Å; S389-A391 PolarHBondContact O-N 2.68Å; S389-E392 PolarHBondContact O-N 3.3Å; S389-E392 VanDerWaalsContact O-N 3.14Å; S389-E393 PolarHBondContact O-N 2.78Å; S389-E393 VanDerWaalsContact O-N 3.12Å
390	L	97	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-34.8	174.1	-174	64.1	0	0	0	111.7	L369 F373 F386 I387 E392 E393 L394 I409	L369-L390 HydrophobicContact CD2-CD1 4.15Å; F373-L390 HydrophobicContact CE2-CD2 3.96Å; F373-L390 HydrophobicContact CZ-CD2 3.71Å; F386-L390 HydrophobicContact CE1-CD2 4.28Å; F386-L390 HydrophobicContact CZ-CD2 4.29Å; F386-L390 VanDerWaalsContact O-CB 3.24Å; F386-L390 WeakPolarHBondContact O-CB 3.1Å; F386-L390 PolarHBondContact O-N 3.26Å; I387-L390 PolarHBondContact O-N 3.24Å; L390-E392 PolarHBondContact O-N 3.2Å; L390-E393 PolarHBondContact O-N 3.35Å; L390-L394 HydrophobicContact CD1-CB 4.19Å; L390-L394 HydrophobicContact CD1-CD1 4.23Å; L390-L394 HydrophobicContact CG-CB 4.35Å; L390-L394 WeakPolarHBondContact O-CB 3.3Å; L390-L394 PolarHBondContact O-N 3.03Å; L390-I409 HydrophobicContact CD2-CD1 4.38Å; L390-I409 HydrophobicContact CD2-CG1 4.37Å
391	A	96.8	Very high	94.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-23.8	174.6	0	0	0	0	0	113.2	I387 N388 S389 P395 E420 R422 L423	I387-A391 WeakPolarHBondContact O-CB 3.45Å; I387-A391 PolarHBondContact O-N 2.65Å; N388-A391 WeakPolarHBondContact O-CB 3.35Å; N388-A391 PolarHBondContact O-N 2.77Å; S389-A391 VanDerWaalsContact C-N 3.3Å; S389-A391 PolarHBondContact O-N 2.68Å; A391-P395 WeakPolarHBondContact O-CD 3.15Å; A391-P395 WeakPolarHBondContact O-CG 3.19Å; A391-E420 HydrophobicContact CB-CG 3.54Å; A391-R422 HydrophobicContact CB-CB 4.3Å; A391-L423 HydrophobicContact CB-CB 3.86Å
392	E	95.4	Very high	94.9	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-85.5	-37.4	174.4	-48.3	-141.6	100	0	0	112.9	N388 S389 L390 K396 R422	N388-E392 WeakPolarHBondContact O-CG 3.48Å; N388-E392 PolarHBondContact O-N 3.27Å; S389-E392 PolarHBondContact O-N 3.3Å; S389-E392 VanDerWaalsContact O-N 3.14Å; L390-E392 PolarHBondContact O-N 3.2Å; E392-K396 VanDerWaalsContact O-CE 3.24Å; E392-K396 WeakPolarHBondContact O-CE 3.19Å; E392-R422 IonicContact OE1-CZ 3.05Å; E392-R422 IonicContact OE1-NH1 3.52Å; E392-R422 PolarHBondContact OE1-NH1 3.38Å; E392-R422 IonicContact OE1-NH2 2.75Å; E392-R422 PolarHBondContact OE1-NH2 3.44Å
393	E	94.8	Very high	95.2	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-95.9	-25	-171.3	-63.9	-63	164.9	0	0	114.1	R362 S389 L390 K396 K397	R362-E393 HydrophobicContact CB-CG 3.93Å; R362-E393 HydrophobicContact CG-CG 4.44Å; R362-E393 IonicContact CZ-OE1 3.38Å; R362-E393 VanDerWaalsContact CZ-OE1 3.24Å; R362-E393 VanDerWaalsContact NE-CD 3.32Å; R362-E393 IonicContact NE-OE1 2.65Å; R362-E393 PolarHBondContact NE-OE1 3.09Å; R362-E393 IonicContact NE-OE2 3.43Å; R362-E393 PolarHBondContact NE-OE2 3.41Å; R362-E393 IonicContact NH2-OE1 3.89Å; R362-E393 PolarHBondContact NH2-OE1 3.12Å; S389-E393 PolarHBondContact O-N 2.78Å; S389-E393 VanDerWaalsContact O-N 3.12Å; L390-E393 PolarHBondContact O-N 3.35Å; E393-K396 PolarHBondContact O-N 2.9Å; E393-K396 IonicContact OE1-NZ 3.75Å; E393-K396 PolarHBondContact OE1-NZ 3.43Å; E393-K396 WeakPolarHBondContact OE2-CD 3.44Å; E393-K396 WeakPolarHBondContact OE2-CE 3.47Å; E393-K396 IonicContact OE2-NZ 3.77Å; E393-K396 PolarHBondContact OE2-NZ 3.14Å; E393-K397 WeakPolarHBondContact O-CG 3.25Å
394	L	95.6	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-65.7	-41.5	177.7	-164.6	71.1	0	0	0	114	L390 K396 K397 V398 I401 M406 I409 L423 T426	L390-L394 HydrophobicContact CD1-CB 4.19Å; L390-L394 HydrophobicContact CD1-CD1 4.23Å; L390-L394 HydrophobicContact CG-CB 4.35Å; L390-L394 WeakPolarHBondContact O-CB 3.3Å; L390-L394 PolarHBondContact O-N 3.03Å; L394-K396 PolarHBondContact O-N 2.77Å; L394-K397 PolarHBondContact O-N 3.08Å; L394-V398 PolarHBondContact O-N 2.78Å; L394-I401 HydrophobicContact CD1-CD1 3.64Å; L394-I401 HydrophobicContact CD1-CG1 3.71Å; L394-M406 HydrophobicContact CD2-CE 3.99Å; L394-M406 HydrophobicContact CD2-SD 3.91Å; L394-M406 HydrophobicContact CG-CE 4.46Å; L394-I409 HydrophobicContact CD1-CD1 4.11Å; L394-I409 HydrophobicContact CD2-CD1 3.92Å; L394-L423 HydrophobicContact CB-CD1 4.38Å; L394-L423 HydrophobicContact CD2-CD1 3.42Å; L394-L423 VanDerWaalsContact CD2-CD1 3.42Å; L394-T426 HydrophobicContact CB-CG2 4.38Å; L394-T426 HydrophobicContact CD2-CG2 3.94Å; L394-T426 HydrophobicContact CG-CG2 4Å
395	P	95.4	Very high	95.7	Very high	53 Å²	53	46.2 Å²	46.2	34%	0.344	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-54.6	-38.2	176.6	-20.9	27.4	0	0	0	112.5	A391 K397 V398 T426	A391-P395 WeakPolarHBondContact O-CD 3.15Å; A391-P395 WeakPolarHBondContact O-CG 3.19Å; P395-K397 PolarHBondContact O-N 3.08Å; P395-V398 VanDerWaalsContact O-CG1 3.27Å; P395-V398 WeakPolarHBondContact O-CG1 3.36Å; P395-T426 WeakPolarHBondContact CG-OG1 3.14Å
396	K	94.6	Very high	95.8	Very high	141 Å²	141	41.9 Å²	41.9	61%	0.613	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-68.5	-16.9	-178.2	-50.7	179.2	-163.1	162.2	0	113.9	E392 E393 L394	E392-K396 VanDerWaalsContact O-CE 3.24Å; E392-K396 WeakPolarHBondContact O-CE 3.19Å; E393-K396 PolarHBondContact O-N 2.9Å; E393-K396 IonicContact OE1-NZ 3.75Å; E393-K396 PolarHBondContact OE1-NZ 3.43Å; E393-K396 WeakPolarHBondContact OE2-CD 3.44Å; E393-K396 WeakPolarHBondContact OE2-CE 3.47Å; E393-K396 IonicContact OE2-NZ 3.77Å; E393-K396 PolarHBondContact OE2-NZ 3.14Å; L394-K396 PolarHBondContact O-N 2.77Å
397	K	93.5	Very high	95.9	Very high	38 Å²	38	42.2 Å²	42.2	17%	0.165	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-127.6	5.2	-175.6	63	-173.7	164.3	-178.9	0	114.6	A361 R362 A364 E393 L394 P395 D399 S400 I401	A361-K397 PolarHBondContact O-NZ 3.22Å; R362-K397 PolarHBondContact O-NZ 3.37Å; A364-K397 PolarHBondContact O-NZ 2.77Å; E393-K397 WeakPolarHBondContact O-CG 3.25Å; L394-K397 PolarHBondContact O-N 3.08Å; P395-K397 PolarHBondContact O-N 3.08Å; K397-D399 VanDerWaalsContact C-N 3.28Å; K397-D399 PolarHBondContact O-N 3.44Å; K397-D399 VanDerWaalsContact O-N 3.13Å; K397-S400 WeakPolarHBondContact O-CB 3.44Å; K397-S400 PolarHBondContact O-N 3.46Å; K397-S400 PolarHBondContact O-OG 3.21Å; K397-I401 HydrophobicContact CG-CD1 4.27Å; K397-I401 PolarHBondContact O-N 2.91Å
398	V	94	Very high	95.9	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-50.1	-37.1	-172.5	63.5	0	0	0	0	114.9	L394 P395 S400 I401 M406 T426 F430 K434	L394-V398 PolarHBondContact O-N 2.78Å; P395-V398 VanDerWaalsContact O-CG1 3.27Å; P395-V398 WeakPolarHBondContact O-CG1 3.36Å; V398-S400 VanDerWaalsContact C-N 3.33Å; V398-S400 PolarHBondContact O-N 3.18Å; V398-I401 WeakPolarHBondContact O-CB 3.38Å; V398-I401 PolarHBondContact O-N 3.36Å; V398-M406 HydrophobicContact CG2-CE 4.08Å; V398-T426 HydrophobicContact CB-CG2 4.25Å; V398-T426 HydrophobicContact CG2-CG2 3.95Å; V398-F430 HydrophobicContact CG2-CB 4.08Å; V398-F430 HydrophobicContact CG2-CD2 3.93Å; V398-K434 PolarHBondContact O-NZ 2.93Å
399	D	92.8	Very high	96	Very high	102 Å²	102	39 Å²	39	55%	0.545	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.5	-39.6	176.8	-72.3	-79.9	0	0	0	112.8	K397 I401 R433 K434	K397-D399 VanDerWaalsContact C-N 3.28Å; K397-D399 PolarHBondContact O-N 3.44Å; K397-D399 VanDerWaalsContact O-N 3.13Å; D399-I401 VanDerWaalsContact C-N 3.27Å; D399-I401 PolarHBondContact O-N 3.06Å; D399-R433 IonicContact OD1-CZ 3.13Å; D399-R433 IonicContact OD1-NH1 3.16Å; D399-R433 PolarHBondContact OD1-NH1 3.21Å; D399-R433 IonicContact OD2-CZ 2.75Å; D399-R433 IonicContact OD2-NH1 3.86Å; D399-R433 PolarHBondContact OD2-NH1 3.21Å; D399-R433 IonicContact OD2-NH2 2.7Å; D399-K434 PolarHBondContact O-NZ 2.99Å
400	S	94.4	Very high	96.1	Very high	79 Å²	79	37.5 Å²	37.5	55%	0.552	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-77.3	-7.6	178.6	76.6	0	0	0	0	114.4	N366 K397 V398	N366-S400 PolarHBondContact ND2-O 3.2Å; K397-S400 WeakPolarHBondContact O-CB 3.44Å; K397-S400 PolarHBondContact O-N 3.46Å; K397-S400 PolarHBondContact O-OG 3.21Å; V398-S400 VanDerWaalsContact C-N 3.33Å; V398-S400 PolarHBondContact O-N 3.18Å
401	I	96.7	Very high	96	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.214	C	C	.	.			trans	-76.8	134.3	-178.7	-61.8	-64.4	0	0	0	110.7	N366 L369 L394 K397 V398 D399 T405 M406 F430 K434	N366-I401 WeakPolarHBondContact OD1-CA 3.3Å; L369-I401 HydrophobicContact CD1-CD1 4.19Å; L394-I401 HydrophobicContact CD1-CD1 3.64Å; L394-I401 HydrophobicContact CD1-CG1 3.71Å; K397-I401 HydrophobicContact CG-CD1 4.27Å; K397-I401 PolarHBondContact O-N 2.91Å; V398-I401 WeakPolarHBondContact O-CB 3.38Å; V398-I401 PolarHBondContact O-N 3.36Å; D399-I401 VanDerWaalsContact C-N 3.27Å; D399-I401 PolarHBondContact O-N 3.06Å; I401-T405 HydrophobicContact CD1-CG2 4.4Å; I401-T405 HydrophobicContact CG2-CG2 3.76Å; I401-M406 HydrophobicContact CB-CE 4.36Å; I401-M406 HydrophobicContact CG2-CB 4.02Å; I401-M406 HydrophobicContact CG2-CE 3.96Å; I401-M406 HydrophobicContact CG2-SD 4.5Å; I401-F430 HydrophobicContact CB-CE2 4.24Å; I401-F430 HydrophobicContact CG2-CE2 4.29Å; I401-F430 WeakPolarHBondContact O-CE2 3.36Å; I401-K434 PolarHBondContact O-NZ 3.46Å
402	T	96.7	Very high	96	Very high	47 Å²	47	42.1 Å²	42.1	29%	0.288	21%	0.214	S	C	.	.			trans	-74.8	147.3	174.7	66.5	0	0	0	0	110.6	N366 E370 Y404 T405 M406	N366-T402 HydrophobicContact CB-CG2 4.17Å; N366-T402 PolarHBondContact OD1-N 3.06Å; E370-T402 PolarHBondContact OE1-OG1 3.25Å; E370-T402 VanDerWaalsContact OE1-OG1 3.04Å; T402-Y404 PolarHBondContact O-N 2.9Å; T402-Y404 VanDerWaalsContact O-N 3.16Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 VanDerWaalsContact O-N 3.15Å; T402-T405 VanDerWaalsContact OG1-CB 3.29Å; T402-T405 WeakPolarHBondContact OG1-CB 3.46Å; T402-T405 PolarHBondContact OG1-N 3.35Å; T402-T405 PolarHBondContact OG1-OG1 3.04Å; T402-T405 VanDerWaalsContact OG1-OG1 3.13Å; T402-M406 PolarHBondContact O-N 3.46Å
403	P	97.4	Very high	96	Very high	49 Å²	49	37.8 Å²	37.8	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-57.6	-28.8	173.1	-24.5	34	0	0	0	113.3	A407 F430 L438 V442	P403-A407 VanDerWaalsContact O-CB 3.23Å; P403-A407 WeakPolarHBondContact O-CB 3.18Å; P403-A407 PolarHBondContact O-N 3.4Å; P403-F430 HydrophobicContact CB-CE1 4.42Å; P403-F430 HydrophobicContact CB-CZ 4.28Å; P403-F430 HydrophobicContact CG-CZ 4.11Å; P403-L438 HydrophobicContact CB-CD2 3.6Å; P403-L438 HydrophobicContact CG-CD2 3.61Å; P403-V442 HydrophobicContact CB-CG1 4.05Å
404	Y	96.9	Very high	96	Very high	135 Å²	135	37.2 Å²	37.2	53%	0.529	19%	0.191	S	C	.	.	H	α-helix	trans	-69.1	-48.9	174.2	-178	-110	0	0	0	112.3	E370 T402 M406 A407 L408	E370-Y404 HydrophobicContact CB-CE1 4.47Å; E370-Y404 HydrophobicContact CG-CD1 3.79Å; E370-Y404 HydrophobicContact CG-CE1 3.9Å; T402-Y404 PolarHBondContact O-N 2.9Å; T402-Y404 VanDerWaalsContact O-N 3.16Å; Y404-M406 VanDerWaalsContact C-N 3.34Å; Y404-M406 PolarHBondContact O-N 3.46Å; Y404-A407 PolarHBondContact O-N 3.01Å; Y404-L408 HydrophobicContact CD1-CD1 4.25Å; Y404-L408 HydrophobicContact CE1-CD1 3.75Å; Y404-L408 WeakPolarHBondContact O-CG 3.48Å; Y404-L408 PolarHBondContact O-N 3.48Å
405	T	97.7	Very high	95.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-47.6	172.3	-74.6	0	0	0	0	110.8	N366 L369 E370 I401 T402 A407 L408 I409	N366-T405 WeakPolarHBondContact CB-OG1 3.48Å; N366-T405 WeakPolarHBondContact OD1-CB 3.26Å; N366-T405 PolarHBondContact OD1-OG1 3.43Å; L369-T405 HydrophobicContact CB-CG2 3.88Å; L369-T405 HydrophobicContact CD1-CG2 3.78Å; L369-T405 HydrophobicContact CG-CG2 4.49Å; E370-T405 VanDerWaalsContact CD-OG1 3.3Å; E370-T405 VanDerWaalsContact CG-OG1 3.25Å; E370-T405 WeakPolarHBondContact CG-OG1 3.28Å; E370-T405 PolarHBondContact OE1-OG1 3.31Å; I401-T405 HydrophobicContact CD1-CG2 4.4Å; I401-T405 HydrophobicContact CG2-CG2 3.76Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 VanDerWaalsContact O-N 3.15Å; T402-T405 VanDerWaalsContact OG1-CB 3.29Å; T402-T405 WeakPolarHBondContact OG1-CB 3.46Å; T402-T405 PolarHBondContact OG1-N 3.35Å; T402-T405 PolarHBondContact OG1-OG1 3.04Å; T402-T405 VanDerWaalsContact OG1-OG1 3.13Å; T405-A407 VanDerWaalsContact C-N 3.34Å; T405-A407 PolarHBondContact O-N 2.97Å; T405-L408 PolarHBondContact O-N 3.25Å; T405-I409 HydrophobicContact CG2-CD1 3.91Å; T405-I409 WeakPolarHBondContact O-CG1 3.47Å; T405-I409 PolarHBondContact O-N 3.38Å; T405-I409 VanDerWaalsContact O-N 3.08Å
406	M	97.9	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-37.9	-179.6	-162.4	64.1	88.3	0	0	112.2	L394 V398 I401 T402 Y404 L408 I409 A410 T426 I427 F430 L446	L394-M406 HydrophobicContact CD2-CE 3.99Å; L394-M406 HydrophobicContact CD2-SD 3.91Å; L394-M406 HydrophobicContact CG-CE 4.46Å; V398-M406 HydrophobicContact CG2-CE 4.08Å; I401-M406 HydrophobicContact CB-CE 4.36Å; I401-M406 HydrophobicContact CG2-CB 4.02Å; I401-M406 HydrophobicContact CG2-CE 3.96Å; I401-M406 HydrophobicContact CG2-SD 4.5Å; T402-M406 PolarHBondContact O-N 3.46Å; Y404-M406 VanDerWaalsContact C-N 3.34Å; Y404-M406 PolarHBondContact O-N 3.46Å; M406-L408 VanDerWaalsContact C-N 3.32Å; M406-L408 PolarHBondContact O-N 3.46Å; M406-I409 PolarHBondContact O-N 3.15Å; M406-I409 HydrophobicContact SD-CD1 4.26Å; M406-A410 WeakPolarHBondContact O-CB 3.48Å; M406-A410 PolarHBondContact O-N 2.9Å; M406-T426 HydrophobicContact CE-CG2 4.38Å; M406-I427 HydrophobicContact CG-CG1 4.3Å; M406-I427 HydrophobicContact SD-CG1 3.82Å; M406-F430 HydrophobicContact CB-CD1 4.41Å; M406-F430 HydrophobicContact CB-CE1 4.16Å; M406-F430 HydrophobicContact CB-CE2 4.29Å; M406-F430 HydrophobicContact CB-CZ 4.09Å; M406-F430 HydrophobicContact CE-CB 3.9Å; M406-F430 HydrophobicContact CE-CD2 3.47Å; M406-F430 VanDerWaalsContact CE-CD2 3.47Å; M406-F430 HydrophobicContact CE-CE2 4.13Å; M406-F430 HydrophobicContact CE-CG 3.79Å; M406-F430 HydrophobicContact CG-CD1 4.08Å; M406-F430 HydrophobicContact CG-CD2 4.34Å; M406-F430 HydrophobicContact CG-CE1 4.33Å; M406-F430 HydrophobicContact CG-CG 4.1Å; M406-L446 HydrophobicContact CB-CD2 3.97Å; M406-L446 HydrophobicContact CG-CD2 3.62Å
407	A	97.7	Very high	95.9	Very high	7 Å²	7	35.7 Å²	35.7	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-28.1	175.8	0	0	0	0	0	113.4	P403 Y404 T405 K411 K445 L446	P403-A407 VanDerWaalsContact O-CB 3.23Å; P403-A407 WeakPolarHBondContact O-CB 3.18Å; P403-A407 PolarHBondContact O-N 3.4Å; Y404-A407 PolarHBondContact O-N 3.01Å; T405-A407 VanDerWaalsContact C-N 3.34Å; T405-A407 PolarHBondContact O-N 2.97Å; A407-K411 VanDerWaalsContact O-CB 3.29Å; A407-K411 WeakPolarHBondContact O-CB 3.48Å; A407-K411 PolarHBondContact O-N 3.07Å; A407-K445 HydrophobicContact CB-CB 4.16Å; A407-K445 HydrophobicContact CB-CD 4.08Å; A407-L446 HydrophobicContact CB-CD2 4.4Å
408	L	97.6	Very high	95.9	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.105	17%	0.171	C	C	.	.	H	α-helix	trans	-71.8	-43.8	171.9	-71	175.5	0	0	0	111.8	E370 F373 Y404 T405 M406 K411 Y412	E370-L408 HydrophobicContact CB-CD1 4.27Å; E370-L408 HydrophobicContact CG-CD1 4.06Å; F373-L408 HydrophobicContact CB-CB 3.88Å; F373-L408 HydrophobicContact CB-CD1 4.46Å; F373-L408 HydrophobicContact CG-CB 4.42Å; Y404-L408 HydrophobicContact CD1-CD1 4.25Å; Y404-L408 HydrophobicContact CE1-CD1 3.75Å; Y404-L408 WeakPolarHBondContact O-CG 3.48Å; Y404-L408 PolarHBondContact O-N 3.48Å; T405-L408 PolarHBondContact O-N 3.25Å; M406-L408 VanDerWaalsContact C-N 3.32Å; M406-L408 PolarHBondContact O-N 3.46Å; L408-K411 PolarHBondContact O-N 3.4Å; L408-Y412 PolarHBondContact O-N 3.17Å
409	I	97.5	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-52.8	173.7	-67.9	165.2	0	0	0	109.8	F373 L390 L394 T405 M406 K411 Y412 I413 L423 I427	F373-I409 HydrophobicContact CD2-CG1 3.98Å; F373-I409 HydrophobicContact CE1-CG1 4.47Å; F373-I409 HydrophobicContact CE2-CD1 4.38Å; F373-I409 HydrophobicContact CE2-CG1 3.46Å; F373-I409 VanDerWaalsContact CE2-CG1 3.46Å; F373-I409 HydrophobicContact CZ-CB 4.41Å; F373-I409 HydrophobicContact CZ-CG1 3.76Å; L390-I409 HydrophobicContact CD2-CD1 4.38Å; L390-I409 HydrophobicContact CD2-CG1 4.37Å; L394-I409 HydrophobicContact CD1-CD1 4.11Å; L394-I409 HydrophobicContact CD2-CD1 3.92Å; T405-I409 HydrophobicContact CG2-CD1 3.91Å; T405-I409 WeakPolarHBondContact O-CG1 3.47Å; T405-I409 PolarHBondContact O-N 3.38Å; T405-I409 VanDerWaalsContact O-N 3.08Å; M406-I409 PolarHBondContact O-N 3.15Å; M406-I409 HydrophobicContact SD-CD1 4.26Å; I409-K411 PolarHBondContact O-N 3.2Å; I409-Y412 PolarHBondContact O-N 2.6Å; I409-I413 HydrophobicContact CG2-CD1 3.68Å; I409-I413 VanDerWaalsContact O-CG1 3.3Å; I409-I413 WeakPolarHBondContact O-CG1 3.23Å; I409-I413 PolarHBondContact O-N 3.25Å; I409-I413 VanDerWaalsContact O-N 3.07Å; I409-L423 HydrophobicContact CG2-CD1 4.18Å; I409-L423 HydrophobicContact CG2-CD2 4.38Å; I409-L423 HydrophobicContact CG2-CG 4.43Å; I409-I427 HydrophobicContact CG2-CD1 4.49Å
410	A	97.6	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-45.9	177	0	0	0	0	0	113	M406 Y412 I413 A414 I427 K445 L446 P449	M406-A410 WeakPolarHBondContact O-CB 3.48Å; M406-A410 PolarHBondContact O-N 2.9Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.84Å; A410-I413 PolarHBondContact O-N 3.37Å; A410-A414 WeakPolarHBondContact O-CB 3.4Å; A410-A414 PolarHBondContact O-N 2.79Å; A410-I427 HydrophobicContact CB-CD1 4.25Å; A410-K445 WeakPolarHBondContact CB-O 3.28Å; A410-L446 HydrophobicContact CB-CD2 4Å; A410-P449 HydrophobicContact CB-CG 3.67Å
411	K	95.5	Very high	96.1	Very high	97 Å²	97	34.4 Å²	34.4	42%	0.422	16%	0.159	S	C	.	.	H	α-helix	trans	-58.2	-41.1	177.1	-169.7	-166.1	-171.6	-156.2	0	112.1	Y379 A407 L408 I409 R415	Y379-K411 HydrophobicContact CE2-CD 4.01Å; Y379-K411 HydrophobicContact CE2-CG 4.28Å; Y379-K411 WeakPolarHBondContact OH-CE 3.34Å; Y379-K411 PolarHBondContact OH-NZ 2.87Å; A407-K411 VanDerWaalsContact O-CB 3.29Å; A407-K411 WeakPolarHBondContact O-CB 3.48Å; A407-K411 PolarHBondContact O-N 3.07Å; L408-K411 PolarHBondContact O-N 3.4Å; I409-K411 PolarHBondContact O-N 3.2Å; K411-R415 WeakPolarHBondContact O-CB 3.16Å; K411-R415 PolarHBondContact O-N 3.39Å
412	Y	96.7	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-48.4	-179.8	-179.2	-90.2	0	0	0	112.3	F373 F378 Y379 N381 R382 Q383 I387 L408 I409 A410 A414 R415 H416 L418	F373-Y412 HydrophobicContact CD1-CD1 4.39Å; F373-Y412 HydrophobicContact CD1-CD2 4.1Å; F373-Y412 AromaticContact CD1-CG 3.77Å; F373-Y412 HydrophobicContact CD1-CG 3.77Å; F373-Y412 AromaticContact CE1-CD1 3.8Å; F373-Y412 HydrophobicContact CE1-CD1 3.8Å; F373-Y412 HydrophobicContact CE1-CD2 4.29Å; F373-Y412 AromaticContact CE1-CG 3.65Å; F373-Y412 HydrophobicContact CE1-CG 3.65Å; F378-Y412 HydrophobicContact CD1-CD2 4.08Å; F378-Y412 AromaticContact CD1-CE2 3.75Å; F378-Y412 HydrophobicContact CD1-CE2 3.75Å; F378-Y412 HydrophobicContact CE1-CD1 4.45Å; F378-Y412 AromaticContact CE1-CD2 3.54Å; F378-Y412 HydrophobicContact CE1-CD2 3.54Å; F378-Y412 HydrophobicContact CE1-CE1 4.25Å; F378-Y412 AromaticContact CE1-CE2 3.29Å; F378-Y412 HydrophobicContact CE1-CE2 3.29Å; F378-Y412 HydrophobicContact CE1-CG 4.12Å; F378-Y412 AromaticContact CE1-CZ 3.69Å; F378-Y412 HydrophobicContact CZ-CD2 4.44Å; F378-Y412 HydrophobicContact CZ-CE1 4.25Å; F378-Y412 AromaticContact CZ-CE2 3.94Å; F378-Y412 HydrophobicContact CZ-CE2 3.94Å; F378-Y412 AromaticContact CZ-CZ 3.83Å; F378-Y412 WeakPolarHBondContact O-CE2 3.25Å; Y379-Y412 HydrophobicContact CD2-CD2 4.16Å; N381-Y412 PolarHBondContact O-OH 3.22Å; R382-Y412 WeakPolarHBondContact CA-OH 3.36Å; Q383-Y412 PolarHBondContact N-OH 3.08Å; I387-Y412 HydrophobicContact CD1-CD1 3.79Å; I387-Y412 HydrophobicContact CD1-CE1 3.74Å; I387-Y412 HydrophobicContact CG1-CD1 4.28Å; I387-Y412 HydrophobicContact CG1-CE1 3.76Å; L408-Y412 PolarHBondContact O-N 3.17Å; I409-Y412 PolarHBondContact O-N 2.6Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.84Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 2.88Å; Y412-R415 PolarHBondContact O-N 2.71Å; Y412-H416 AromaticContact CD2-CD2 3.65Å; Y412-H416 AromaticContact CD2-NE2 3.93Å; Y412-H416 AromaticContact CE1-CD2 3.78Å; Y412-H416 AromaticContact CE2-CD2 3.3Å; Y412-H416 WeakPolarHBondContact CE2-CD2 3.22Å; Y412-H416 AromaticContact CE2-NE2 3.37Å; Y412-H416 WeakPolarHBondContact CE2-NE2 3.26Å; Y412-H416 AromaticContact CZ-CD2 3.38Å; Y412-H416 AromaticContact CZ-NE2 3.76Å; Y412-H416 PolarHBondContact O-N 2.98Å; Y412-L418 HydrophobicContact CD1-CD1 4.39Å; Y412-L418 HydrophobicContact CE1-CD1 3.92Å
413	I	95.8	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-55	-49.5	177.3	-65.8	163.6	0	0	0	110.4	I409 A410 H416 R417 L418 L423 L424 I427	I409-I413 HydrophobicContact CG2-CD1 3.68Å; I409-I413 VanDerWaalsContact O-CG1 3.3Å; I409-I413 WeakPolarHBondContact O-CG1 3.23Å; I409-I413 PolarHBondContact O-N 3.25Å; I409-I413 VanDerWaalsContact O-N 3.07Å; A410-I413 PolarHBondContact O-N 3.37Å; I413-H416 PolarHBondContact O-N 3.33Å; I413-R417 WeakPolarHBondContact O-CA 3.4Å; I413-R417 PolarHBondContact O-N 2.7Å; I413-L418 HydrophobicContact CG2-CB 4.33Å; I413-L418 WeakPolarHBondContact CG2-O 3.05Å; I413-L418 PolarHBondContact O-N 2.87Å; I413-L423 HydrophobicContact CD1-CD2 3.53Å; I413-L423 HydrophobicContact CD1-CG 3.68Å; I413-L423 HydrophobicContact CG1-CD2 4.15Å; I413-L424 HydrophobicContact CG2-CD2 4.27Å; I413-I427 HydrophobicContact CD1-CD1 3.81Å
414	A	94.9	Very high	96.1	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-71.9	-29.6	-177.6	0	0	0	0	0	113.8	A410 Y412 F448 P449 R452	A410-A414 WeakPolarHBondContact O-CB 3.4Å; A410-A414 PolarHBondContact O-N 2.79Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 2.88Å; A414-F448 HydrophobicContact CB-CD1 3.6Å; A414-F448 HydrophobicContact CB-CE1 3.45Å; A414-F448 VanDerWaalsContact CB-CE1 3.45Å; A414-F448 HydrophobicContact CB-CZ 4.3Å; A414-P449 HydrophobicContact CB-CB 4.4Å; A414-P449 HydrophobicContact CB-CG 4.25Å; A414-R452 HydrophobicContact CB-CB 4.26Å; A414-R452 HydrophobicContact CB-CG 4.22Å; A414-R452 WeakPolarHBondContact O-CG 3.41Å
415	R	93.5	Very high	96.1	Very high	100 Å²	100	30.9 Å²	30.9	38%	0.377	14%	0.135	S	C	.	.	H	α-helix	trans	-63.2	-52.3	171.1	168.3	173.5	176.1	79.7	0.2	111	Y379 K411 Y412 R417	Y379-R415 VanDerWaalsContact CE1-CD 3.4Å; Y379-R415 PolarHBondContact O-NE 3.18Å; Y379-R415 VanDerWaalsContact O-NE 3.12Å; K411-R415 WeakPolarHBondContact O-CB 3.16Å; K411-R415 PolarHBondContact O-N 3.39Å; Y412-R415 PolarHBondContact O-N 2.71Å; R415-R417 VanDerWaalsContact C-N 3.27Å; R415-R417 PolarHBondContact O-N 3.29Å
416	H	93.9	Very high	96.1	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.069	14%	0.137	C	C	.	.	H	α-helix	trans	-83.5	-3.3	-174.8	-72.8	-59.4	0	0	0	114.1	Y379 Q380 N381 R382 Y412 I413 L418 H806	Y379-H416 PolarHBondContact O-NE2 3.23Å; Q380-H416 PolarHBondContact O-CE1 2.93Å; N381-H416 PolarHBondContact O-NE2 3.48Å; R382-H416 HydrophobicContact CG-CB 4.07Å; R382-H416 WeakPolarHBondContact CG-ND1 3.18Å; Y412-H416 AromaticContact CD2-CD2 3.65Å; Y412-H416 AromaticContact CD2-NE2 3.93Å; Y412-H416 AromaticContact CE1-CD2 3.78Å; Y412-H416 AromaticContact CE2-CD2 3.3Å; Y412-H416 WeakPolarHBondContact CE2-CD2 3.22Å; Y412-H416 AromaticContact CE2-NE2 3.37Å; Y412-H416 WeakPolarHBondContact CE2-NE2 3.26Å; Y412-H416 AromaticContact CZ-CD2 3.38Å; Y412-H416 AromaticContact CZ-NE2 3.76Å; Y412-H416 PolarHBondContact O-N 2.98Å; I413-H416 PolarHBondContact O-N 3.33Å; H416-L418 VanDerWaalsContact C-N 3.33Å; H416-L418 HydrophobicContact CB-CD1 4.15Å; H416-L418 HydrophobicContact CB-CD2 4.1Å; H416-L418 HydrophobicContact CB-CG 3.78Å; H416-L418 PolarHBondContact O-N 3.02Å; H416-H806 WeakPolarHBondContact O-CB 3.49Å
417	R	94.6	Very high	96.1	Very high	47 Å²	47	31.2 Å²	31.2	18%	0.177	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	43.4	-177.4	-53.4	-172.7	-57.8	-72.5	5.1	112.4	I413 R415 M453 K801 Y804 H806	I413-R417 WeakPolarHBondContact O-CA 3.4Å; I413-R417 PolarHBondContact O-N 2.7Å; R415-R417 VanDerWaalsContact C-N 3.27Å; R415-R417 PolarHBondContact O-N 3.29Å; R417-M453 VanDerWaalsContact C-SD 3.58Å; R417-M453 WeakPolarHBondContact CA-SD 3.13Å; R417-M453 HydrophobicContact CB-CE 4Å; R417-M453 HydrophobicContact CB-SD 4.08Å; R417-M453 WeakPolarHBondContact O-CE 3.47Å; R417-K801 PolarHBondContact NH2-O 3.08Å; R417-Y804 WeakPolarHBondContact CD-O 3.27Å; R417-Y804 PolarHBondContact NE-O 2.82Å; R417-H806 HydrophobicContact CB-CB 4.46Å; R417-H806 VanDerWaalsContact O-CB 3.24Å; R417-H806 WeakPolarHBondContact O-CB 3.47Å; R417-H806 PolarHBondContact O-N 3.08Å
418	L	94.6	Very high	96.1	Very high	12 Å²	12	31 Å²	31	6%	0.063	14%	0.135	C	C	.	.			trans	-83.2	125.6	179.3	-54	179.3	0	0	0	110	I387 Y412 I413 H416 H806	I387-L418 HydrophobicContact CB-CD1 4.37Å; I387-L418 HydrophobicContact CG1-CD1 3.9Å; I387-L418 HydrophobicContact CG2-CD1 4.15Å; Y412-L418 HydrophobicContact CD1-CD1 4.39Å; Y412-L418 HydrophobicContact CE1-CD1 3.92Å; I413-L418 HydrophobicContact CG2-CB 4.33Å; I413-L418 WeakPolarHBondContact CG2-O 3.05Å; I413-L418 PolarHBondContact O-N 2.87Å; H416-L418 VanDerWaalsContact C-N 3.33Å; H416-L418 HydrophobicContact CB-CD1 4.15Å; H416-L418 HydrophobicContact CB-CD2 4.1Å; H416-L418 HydrophobicContact CB-CG 3.78Å; H416-L418 PolarHBondContact O-N 3.02Å; L418-H806 HydrophobicContact CD2-CB 4.19Å
419	R	94.6	Very high	96.1	Very high	84 Å²	84	32.8 Å²	32.8	32%	0.317	15%	0.145	S	C	.	.			trans	-102.7	43.2	-176.4	-159.9	172.3	-177	-84.2	7.2	112.6	T421 M453 S454 C805	R419-T421 PolarHBondContact O-N 2.89Å; R419-M453 HydrophobicContact CB-CE 3.77Å; R419-M453 HydrophobicContact CG-CB 4.28Å; R419-M453 HydrophobicContact CG-CE 4.3Å; R419-M453 PolarHBondContact NE-O 3.2Å; R419-M453 VanDerWaalsContact NE-O 3.07Å; R419-S454 PolarHBondContact NH2-O 2.91Å; R419-C805 HydrophobicContact CB-CB 4.44Å
420	E	95.3	Very high	96.1	Very high	47 Å²	47	32.9 Å²	32.9	22%	0.22	15%	0.145	C	C	.	.			trans	-74.7	104.3	178.2	176.7	38	-116.3	0	0	110.2	I387 A391 R422 L423 L424	I387-E420 HydrophobicContact CG2-CB 4.32Å; A391-E420 HydrophobicContact CB-CG 3.54Å; E420-R422 VanDerWaalsContact OE1-CB 3.29Å; E420-R422 WeakPolarHBondContact OE1-CB 3.39Å; E420-R422 PolarHBondContact OE1-N 3.41Å; E420-L423 HydrophobicContact CB-CB 4.31Å; E420-L423 HydrophobicContact CG-CB 3.79Å; E420-L423 PolarHBondContact O-N 3.09Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 3.48Å; E420-L424 VanDerWaalsContact O-N 3.07Å
421	T	95.7	Very high	96.1	Very high	54 Å²	54	33 Å²	33	33%	0.331	15%	0.146	S	C	.	.	H	α-helix	trans	-70.3	-36.3	-167.5	54	0	0	0	0	113	R419 L423 L424 D425 Y455	R419-T421 PolarHBondContact O-N 2.89Å; T421-L423 VanDerWaalsContact C-N 3.27Å; T421-L423 PolarHBondContact O-N 2.88Å; T421-L424 PolarHBondContact O-N 3.31Å; T421-D425 WeakPolarHBondContact O-CB 3.45Å; T421-D425 PolarHBondContact O-N 3.16Å; T421-Y455 HydrophobicContact CG2-CD2 4.08Å; T421-Y455 HydrophobicContact CG2-CE2 3.56Å
422	R	96.3	Very high	96.2	Very high	122 Å²	122	29.3 Å²	29.3	46%	0.46	13%	0.131	S	C	.	.	H	α-helix	trans	-64.6	-36.8	179	-59.6	168.8	68.7	-174.7	0.5	110.8	A391 E392 E420 T426	A391-R422 HydrophobicContact CB-CB 4.3Å; E392-R422 IonicContact OE1-CZ 3.05Å; E392-R422 IonicContact OE1-NH1 3.52Å; E392-R422 PolarHBondContact OE1-NH1 3.38Å; E392-R422 IonicContact OE1-NH2 2.75Å; E392-R422 PolarHBondContact OE1-NH2 3.44Å; E420-R422 VanDerWaalsContact OE1-CB 3.29Å; E420-R422 WeakPolarHBondContact OE1-CB 3.39Å; E420-R422 PolarHBondContact OE1-N 3.41Å; R422-T426 PolarHBondContact O-N 3.2Å; R422-T426 PolarHBondContact O-OG1 3.31Å
423	L	96.2	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-74.3	-36.6	177.6	-171	54.2	0	0	0	112.1	I387 A391 L394 I409 I413 E420 T421 T426 I427	I387-L423 HydrophobicContact CD1-CD2 4.46Å; I387-L423 HydrophobicContact CG2-CD2 3.86Å; A391-L423 HydrophobicContact CB-CB 3.86Å; L394-L423 HydrophobicContact CB-CD1 4.38Å; L394-L423 HydrophobicContact CD2-CD1 3.42Å; L394-L423 VanDerWaalsContact CD2-CD1 3.42Å; I409-L423 HydrophobicContact CG2-CD1 4.18Å; I409-L423 HydrophobicContact CG2-CD2 4.38Å; I409-L423 HydrophobicContact CG2-CG 4.43Å; I413-L423 HydrophobicContact CD1-CD2 3.53Å; I413-L423 HydrophobicContact CD1-CG 3.68Å; I413-L423 HydrophobicContact CG1-CD2 4.15Å; E420-L423 HydrophobicContact CB-CB 4.31Å; E420-L423 HydrophobicContact CG-CB 3.79Å; E420-L423 PolarHBondContact O-N 3.09Å; T421-L423 VanDerWaalsContact C-N 3.27Å; T421-L423 PolarHBondContact O-N 2.88Å; L423-T426 WeakPolarHBondContact O-CB 3.47Å; L423-T426 PolarHBondContact O-N 3.03Å; L423-I427 WeakPolarHBondContact O-CG1 3.37Å; L423-I427 PolarHBondContact O-N 3.13Å; L423-I427 VanDerWaalsContact O-N 3.16Å
424	L	97.2	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-44.4	172.3	-70.5	166	0	0	0	111.6	I413 E420 T421 T426 I427 A428 P449 F450 M453 Y455	I413-L424 HydrophobicContact CG2-CD2 4.27Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 3.48Å; E420-L424 VanDerWaalsContact O-N 3.07Å; T421-L424 PolarHBondContact O-N 3.31Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 3.39Å; L424-I427 WeakPolarHBondContact O-CB 3.33Å; L424-I427 PolarHBondContact O-N 3.38Å; L424-A428 PolarHBondContact O-N 2.9Å; L424-P449 HydrophobicContact CD2-CB 3.57Å; L424-F450 HydrophobicContact CB-CE1 4.1Å; L424-F450 WeakPolarHBondContact O-CE1 3.47Å; L424-F450 WeakPolarHBondContact O-CZ 3.39Å; L424-M453 HydrophobicContact CD1-CB 4.34Å; L424-M453 HydrophobicContact CD1-CG 4.39Å; L424-Y455 HydrophobicContact CB-CD1 3.57Å; L424-Y455 HydrophobicContact CB-CE1 3.55Å; L424-Y455 HydrophobicContact CD1-CD1 3.59Å; L424-Y455 HydrophobicContact CD1-CE1 4.24Å; L424-Y455 HydrophobicContact CD1-CG 3.94Å; L424-Y455 HydrophobicContact CG-CD1 4.14Å
425	D	97.9	Very high	96.1	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.214	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-36.2	173.7	-85.7	-19.5	0	0	0	112.3	T421 I427 A428 D429 Y455 P457 S458	T421-D425 WeakPolarHBondContact O-CB 3.45Å; T421-D425 PolarHBondContact O-N 3.16Å; D425-I427 VanDerWaalsContact C-N 3.28Å; D425-I427 PolarHBondContact O-N 2.97Å; D425-A428 WeakPolarHBondContact O-CB 2.94Å; D425-A428 PolarHBondContact O-N 3.06Å; D425-A428 VanDerWaalsContact O-N 3.13Å; D425-D429 WeakPolarHBondContact O-CB 3.33Å; D425-D429 PolarHBondContact O-N 3.06Å; D425-Y455 VanDerWaalsContact CG-OH 3.31Å; D425-Y455 PolarHBondContact OD1-OH 3.04Å; D425-Y455 PolarHBondContact OD2-OH 3.16Å; D425-P457 WeakPolarHBondContact OD1-CA 3.43Å; D425-P457 WeakPolarHBondContact OD1-CB 3.32Å; D425-S458 PolarHBondContact OD1-N 3.21Å; D425-S458 VanDerWaalsContact OD2-CB 3.28Å; D425-S458 WeakPolarHBondContact OD2-CB 3.43Å; D425-S458 PolarHBondContact OD2-OG 2.97Å
426	T	97.9	Very high	96	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-34.9	173	-54.6	0	0	0	0	112.2	L394 P395 V398 M406 R422 L423 L424 F430	L394-T426 HydrophobicContact CB-CG2 4.38Å; L394-T426 HydrophobicContact CD2-CG2 3.94Å; L394-T426 HydrophobicContact CG-CG2 4Å; P395-T426 WeakPolarHBondContact CG-OG1 3.14Å; V398-T426 HydrophobicContact CB-CG2 4.25Å; V398-T426 HydrophobicContact CG2-CG2 3.95Å; M406-T426 HydrophobicContact CE-CG2 4.38Å; R422-T426 PolarHBondContact O-N 3.2Å; R422-T426 PolarHBondContact O-OG1 3.31Å; L423-T426 WeakPolarHBondContact O-CB 3.47Å; L423-T426 PolarHBondContact O-N 3.03Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 3.39Å; T426-F430 WeakPolarHBondContact O-CB 3.4Å; T426-F430 PolarHBondContact O-N 3.15Å
427	I	97.9	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72.2	-35.5	174.3	-65.9	162.6	0	0	0	110.8	M406 I409 A410 I413 L423 L424 D425 L431 L446 F450	M406-I427 HydrophobicContact CG-CG1 4.3Å; M406-I427 HydrophobicContact SD-CG1 3.82Å; I409-I427 HydrophobicContact CG2-CD1 4.49Å; A410-I427 HydrophobicContact CB-CD1 4.25Å; I413-I427 HydrophobicContact CD1-CD1 3.81Å; L423-I427 WeakPolarHBondContact O-CG1 3.37Å; L423-I427 PolarHBondContact O-N 3.13Å; L423-I427 VanDerWaalsContact O-N 3.16Å; L424-I427 WeakPolarHBondContact O-CB 3.33Å; L424-I427 PolarHBondContact O-N 3.38Å; D425-I427 VanDerWaalsContact C-N 3.28Å; D425-I427 PolarHBondContact O-N 2.97Å; I427-L431 PolarHBondContact O-N 3Å; I427-L446 HydrophobicContact CG2-CB 4.15Å; I427-L446 HydrophobicContact CG2-CD2 4.18Å; I427-L446 WeakPolarHBondContact CG2-O 3.44Å; I427-F450 HydrophobicContact CB-CE2 4.45Å; I427-F450 HydrophobicContact CB-CZ 4.19Å; I427-F450 HydrophobicContact CG2-CE2 3.9Å; I427-F450 HydrophobicContact CG2-CZ 4.13Å
428	A	97.9	Very high	96.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-46.8	177.2	0	0	0	0	0	111.7	L424 D425 L431 I432 F450 P457 F463	L424-A428 PolarHBondContact O-N 2.9Å; D425-A428 WeakPolarHBondContact O-CB 2.94Å; D425-A428 PolarHBondContact O-N 3.06Å; D425-A428 VanDerWaalsContact O-N 3.13Å; A428-L431 WeakPolarHBondContact O-CB 3.28Å; A428-L431 PolarHBondContact O-N 3.03Å; A428-L431 VanDerWaalsContact O-N 3.14Å; A428-I432 WeakPolarHBondContact O-CG1 3.47Å; A428-I432 PolarHBondContact O-N 3.24Å; A428-F450 HydrophobicContact CB-CE1 4.04Å; A428-F450 HydrophobicContact CB-CZ 3.71Å; A428-P457 HydrophobicContact CB-CB 3.42Å; A428-P457 VanDerWaalsContact CB-CB 3.42Å; A428-P457 HydrophobicContact CB-CG 3.78Å; A428-F463 HydrophobicContact CB-CD2 3.59Å; A428-F463 HydrophobicContact CB-CE2 3.95Å; A428-F463 HydrophobicContact CB-CG 4.37Å
429	D	97.5	Very high	96	Very high	59 Å²	59	48.2 Å²	48.2	32%	0.316	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-43.1	174.6	172	25.7	0	0	0	112	D425 L431 I432 R433	D425-D429 WeakPolarHBondContact O-CB 3.33Å; D425-D429 PolarHBondContact O-N 3.06Å; D429-L431 VanDerWaalsContact C-N 3.3Å; D429-L431 PolarHBondContact O-N 3.4Å; D429-I432 PolarHBondContact O-N 3.19Å; D429-R433 PolarHBondContact O-N 3.44Å; D429-R433 IonicContact OD1-CZ 3.49Å; D429-R433 VanDerWaalsContact OD1-CZ 3.31Å; D429-R433 IonicContact OD1-NE 2.67Å; D429-R433 PolarHBondContact OD1-NE 3.26Å; D429-R433 IonicContact OD1-NH2 3.42Å; D429-R433 PolarHBondContact OD1-NH2 3.3Å; D429-R433 VanDerWaalsContact OD1-NH2 3.1Å; D429-R433 IonicContact OD2-CZ 2.86Å; D429-R433 IonicContact OD2-NE 2.73Å; D429-R433 IonicContact OD2-NH2 3.53Å; D429-R433 PolarHBondContact OD2-NH2 2.98Å
430	F	97.6	Very high	96	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-40.5	171.4	-174.6	-81.5	0	0	0	112.4	V398 I401 P403 M406 T426 K434 L438 L446	V398-F430 HydrophobicContact CG2-CB 4.08Å; V398-F430 HydrophobicContact CG2-CD2 3.93Å; I401-F430 HydrophobicContact CB-CE2 4.24Å; I401-F430 HydrophobicContact CG2-CE2 4.29Å; I401-F430 WeakPolarHBondContact O-CE2 3.36Å; P403-F430 HydrophobicContact CB-CE1 4.42Å; P403-F430 HydrophobicContact CB-CZ 4.28Å; P403-F430 HydrophobicContact CG-CZ 4.11Å; M406-F430 HydrophobicContact CB-CD1 4.41Å; M406-F430 HydrophobicContact CB-CE1 4.16Å; M406-F430 HydrophobicContact CB-CE2 4.29Å; M406-F430 HydrophobicContact CB-CZ 4.09Å; M406-F430 HydrophobicContact CE-CB 3.9Å; M406-F430 HydrophobicContact CE-CD2 3.47Å; M406-F430 VanDerWaalsContact CE-CD2 3.47Å; M406-F430 HydrophobicContact CE-CE2 4.13Å; M406-F430 HydrophobicContact CE-CG 3.79Å; M406-F430 HydrophobicContact CG-CD1 4.08Å; M406-F430 HydrophobicContact CG-CD2 4.34Å; M406-F430 HydrophobicContact CG-CE1 4.33Å; M406-F430 HydrophobicContact CG-CG 4.1Å; T426-F430 WeakPolarHBondContact O-CB 3.4Å; T426-F430 PolarHBondContact O-N 3.15Å; F430-K434 HydrophobicContact CD1-CD 4.39Å; F430-K434 HydrophobicContact CD2-CD 4.06Å; F430-K434 HydrophobicContact CE1-CD 4.02Å; F430-K434 HydrophobicContact CE2-CD 3.68Å; F430-K434 HydrophobicContact CG-CD 4.4Å; F430-K434 HydrophobicContact CZ-CD 3.65Å; F430-K434 WeakPolarHBondContact O-CB 3.35Å; F430-K434 PolarHBondContact O-N 2.86Å; F430-K434 VanDerWaalsContact O-N 3.15Å; F430-L438 HydrophobicContact CE1-CD1 4.31Å; F430-L446 HydrophobicContact CD1-CD1 4.06Å; F430-L446 HydrophobicContact CE1-CD1 4.08Å
431	L	97	Very high	96	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-51.4	174.5	-87.3	168	0	0	0	111.6	I427 A428 D429 R433 K434 A435 L438 I443 L446 V447 F450 F463	I427-L431 PolarHBondContact O-N 3Å; A428-L431 WeakPolarHBondContact O-CB 3.28Å; A428-L431 PolarHBondContact O-N 3.03Å; A428-L431 VanDerWaalsContact O-N 3.14Å; D429-L431 VanDerWaalsContact C-N 3.3Å; D429-L431 PolarHBondContact O-N 3.4Å; L431-R433 PolarHBondContact O-N 3.1Å; L431-R433 VanDerWaalsContact O-N 3.15Å; L431-K434 PolarHBondContact O-N 3.07Å; L431-K434 VanDerWaalsContact O-N 3.12Å; L431-A435 HydrophobicContact CD2-CB 4.39Å; L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 2.84Å; L431-L438 HydrophobicContact CD2-CD1 4Å; L431-I443 HydrophobicContact CD2-CG2 4.4Å; L431-L446 HydrophobicContact CD1-CB 3.68Å; L431-L446 HydrophobicContact CD2-CB 4.04Å; L431-L446 HydrophobicContact CD2-CD1 3.91Å; L431-L446 HydrophobicContact CG-CB 3.94Å; L431-L446 HydrophobicContact CG-CD1 4.1Å; L431-V447 HydrophobicContact CD1-CG2 3.9Å; L431-F450 HydrophobicContact CD1-CE2 4.44Å; L431-F463 HydrophobicContact CB-CD2 4.5Å; L431-F463 HydrophobicContact CB-CE2 4.27Å; L431-F463 HydrophobicContact CD1-CE2 3.65Å; L431-F463 HydrophobicContact CD1-CZ 4.28Å
432	I	96.7	Very high	96	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-50	-42.6	178.8	-73.6	159.1	0	0	0	111.5	A428 D429 A459 Q462 F463 R466	A428-I432 WeakPolarHBondContact O-CG1 3.47Å; A428-I432 PolarHBondContact O-N 3.24Å; D429-I432 PolarHBondContact O-N 3.19Å; I432-A459 HydrophobicContact CD1-CB 3.81Å; I432-Q462 HydrophobicContact CD1-CB 4.17Å; I432-Q462 HydrophobicContact CG1-CB 4.44Å; I432-F463 HydrophobicContact CD1-CB 4.05Å; I432-F463 HydrophobicContact CG1-CB 4.21Å; I432-R466 HydrophobicContact CG2-CG 4.45Å; I432-R466 PolarHBondContact O-NH1 2.97Å
433	R	95.1	Very high	96.1	Very high	98 Å²	98	41.7 Å²	41.7	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-84	-21.9	-177.5	-72	-170.6	-81.7	164	-14.8	115.6	D399 D429 L431	D399-R433 IonicContact OD1-CZ 3.13Å; D399-R433 IonicContact OD1-NH1 3.16Å; D399-R433 PolarHBondContact OD1-NH1 3.21Å; D399-R433 IonicContact OD2-CZ 2.75Å; D399-R433 IonicContact OD2-NH1 3.86Å; D399-R433 PolarHBondContact OD2-NH1 3.21Å; D399-R433 IonicContact OD2-NH2 2.7Å; D429-R433 PolarHBondContact O-N 3.44Å; D429-R433 IonicContact OD1-CZ 3.49Å; D429-R433 VanDerWaalsContact OD1-CZ 3.31Å; D429-R433 IonicContact OD1-NE 2.67Å; D429-R433 PolarHBondContact OD1-NE 3.26Å; D429-R433 IonicContact OD1-NH2 3.42Å; D429-R433 PolarHBondContact OD1-NH2 3.3Å; D429-R433 VanDerWaalsContact OD1-NH2 3.1Å; D429-R433 IonicContact OD2-CZ 2.86Å; D429-R433 IonicContact OD2-NE 2.73Å; D429-R433 IonicContact OD2-NH2 3.53Å; D429-R433 PolarHBondContact OD2-NH2 2.98Å; L431-R433 PolarHBondContact O-N 3.1Å; L431-R433 VanDerWaalsContact O-N 3.15Å
434	K	95.8	Very high	96.1	Very high	44 Å²	44	43.8 Å²	43.8	19%	0.191	20%	0.203	C	C	.	.	H	α-helix	trans	-125.6	-10.5	-170.3	-63.7	175.2	174.6	173.4	0	115.6	V398 D399 I401 F430 L431 E436 Y437 L438	V398-K434 PolarHBondContact O-NZ 2.93Å; D399-K434 PolarHBondContact O-NZ 2.99Å; I401-K434 PolarHBondContact O-NZ 3.46Å; F430-K434 HydrophobicContact CD1-CD 4.39Å; F430-K434 HydrophobicContact CD2-CD 4.06Å; F430-K434 HydrophobicContact CE1-CD 4.02Å; F430-K434 HydrophobicContact CE2-CD 3.68Å; F430-K434 HydrophobicContact CG-CD 4.4Å; F430-K434 HydrophobicContact CZ-CD 3.65Å; F430-K434 WeakPolarHBondContact O-CB 3.35Å; F430-K434 PolarHBondContact O-N 2.86Å; F430-K434 VanDerWaalsContact O-N 3.15Å; L431-K434 PolarHBondContact O-N 3.07Å; L431-K434 VanDerWaalsContact O-N 3.12Å; K434-E436 VanDerWaalsContact C-N 3.28Å; K434-E436 PolarHBondContact O-N 3.44Å; K434-E436 VanDerWaalsContact O-N 3.09Å; K434-Y437 PolarHBondContact O-N 2.91Å; K434-L438 HydrophobicContact CB-CG 4.49Å; K434-L438 WeakPolarHBondContact O-CG 3.21Å
435	A	94.3	Very high	96	Very high	4 Å²	4	49 Å²	49	3%	0.033	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.4	-31.3	-169.2	0	0	0	0	0	116	L431 Y437 L438 A470 K474	L431-A435 HydrophobicContact CD2-CB 4.39Å; L431-A435 WeakPolarHBondContact O-CB 3.41Å; L431-A435 PolarHBondContact O-N 2.84Å; A435-Y437 VanDerWaalsContact C-N 3.27Å; A435-Y437 PolarHBondContact O-N 3.14Å; A435-L438 PolarHBondContact O-N 3.42Å; A435-A470 HydrophobicContact CB-CB 3.74Å; A435-K474 PolarHBondContact O-NZ 2.84Å
436	E	92.7	Very high	96	Very high	126 Å²	126	47.1 Å²	47.1	59%	0.589	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-54.8	-44.9	173.5	-166.7	-167.5	164.2	0	0	111.2	K434 L438 K474	K434-E436 VanDerWaalsContact C-N 3.28Å; K434-E436 PolarHBondContact O-N 3.44Å; K434-E436 VanDerWaalsContact O-N 3.09Å; E436-L438 PolarHBondContact O-N 3.34Å; E436-K474 WeakPolarHBondContact O-CE 3.25Å; E436-K474 PolarHBondContact O-NZ 2.88Å
437	Y	93.8	Very high	96	Very high	177 Å²	177	46.7 Å²	46.7	69%	0.694	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-89.1	6.5	-175.7	-43.8	-53.7	0	0	0	114.2	K434 A435	K434-Y437 PolarHBondContact O-N 2.91Å; A435-Y437 VanDerWaalsContact C-N 3.27Å; A435-Y437 PolarHBondContact O-N 3.14Å
438	L	95.6	Very high	96	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.047	22%	0.222	C	C	.	.	S	Bend	trans	-100.8	137.2	-179.7	-62.3	-175.4	0	0	0	112.7	P403 F430 L431 K434 A435 E436 V442 I443 L446 K474	P403-L438 HydrophobicContact CB-CD2 3.6Å; P403-L438 HydrophobicContact CG-CD2 3.61Å; F430-L438 HydrophobicContact CE1-CD1 4.31Å; L431-L438 HydrophobicContact CD2-CD1 4Å; K434-L438 HydrophobicContact CB-CG 4.49Å; K434-L438 WeakPolarHBondContact O-CG 3.21Å; A435-L438 PolarHBondContact O-N 3.42Å; E436-L438 PolarHBondContact O-N 3.34Å; L438-V442 HydrophobicContact CD1-CG1 4.3Å; L438-V442 HydrophobicContact CD2-CG1 4.26Å; L438-I443 HydrophobicContact CB-CD1 4.17Å; L438-I443 HydrophobicContact CB-CG1 3.69Å; L438-I443 HydrophobicContact CD1-CG1 4.42Å; L438-L446 HydrophobicContact CD1-CD1 3.75Å; L438-K474 WeakPolarHBondContact O-CD 3.2Å; L438-K474 WeakPolarHBondContact O-CE 3.46Å; L438-K474 PolarHBondContact O-NZ 2.9Å
439	D	94	Very high	95.9	Very high	117 Å²	117	48.8 Å²	48.8	63%	0.626	22%	0.222	S	C	*	.			trans	-58.6	144.3	166.9	-65.8	-49.7	0	0	0	111.3	K441 V442 I443	D439-K441 PolarHBondContact O-N 2.88Å; D439-K441 VanDerWaalsContact O-N 3.08Å; D439-V442 HydrophobicContact CB-CB 4.5Å; D439-V442 HydrophobicContact CB-CG2 4.18Å; D439-V442 WeakPolarHBondContact O-CA 3.43Å; D439-V442 WeakPolarHBondContact O-CB 3.32Å; D439-V442 PolarHBondContact O-N 3.18Å; D439-I443 PolarHBondContact O-N 3.2Å
440	S	94.4	Very high	96	Very high	9 Å²	9	46 Å²	46	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-54.7	-32.7	175.2	-40.1	0	0	0	0	112.8	V442 I443 Q444 K474	S440-V442 VanDerWaalsContact C-N 3.32Å; S440-V442 PolarHBondContact O-N 2.94Å; S440-I443 PolarHBondContact O-N 2.84Å; S440-Q444 VanDerWaalsContact O-CB 3.28Å; S440-Q444 WeakPolarHBondContact O-CB 3.29Å; S440-Q444 PolarHBondContact O-N 3.27Å; S440-K474 WeakPolarHBondContact OG-CB 3.49Å
441	K	94.7	Very high	95.9	Very high	136 Å²	136	46 Å²	46	59%	0.591	21%	0.207	S	C	*	.	H	α-helix	trans	-70.1	-23.1	175.4	-67.2	-179.9	-179	174	0	113.8	D439 K445 A481	D439-K441 PolarHBondContact O-N 2.88Å; D439-K441 VanDerWaalsContact O-N 3.08Å; K441-K445 WeakPolarHBondContact O-CD 3.26Å; K441-K445 WeakPolarHBondContact O-CG 3.49Å; K441-A481 HydrophobicContact CG-CB 4.45Å
442	V	96.4	Very high	95.8	Very high	24 Å²	24	48.6 Å²	48.6	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-85.2	-46.2	172.6	177.5	0	0	0	0	109.2	P403 L438 D439 S440 Q444 K445 L446	P403-V442 HydrophobicContact CB-CG1 4.05Å; L438-V442 HydrophobicContact CD1-CG1 4.3Å; L438-V442 HydrophobicContact CD2-CG1 4.26Å; D439-V442 HydrophobicContact CB-CB 4.5Å; D439-V442 HydrophobicContact CB-CG2 4.18Å; D439-V442 WeakPolarHBondContact O-CA 3.43Å; D439-V442 WeakPolarHBondContact O-CB 3.32Å; D439-V442 PolarHBondContact O-N 3.18Å; S440-V442 VanDerWaalsContact C-N 3.32Å; S440-V442 PolarHBondContact O-N 2.94Å; V442-Q444 VanDerWaalsContact C-N 3.3Å; V442-Q444 PolarHBondContact O-N 3.17Å; V442-K445 WeakPolarHBondContact O-CB 3.37Å; V442-K445 PolarHBondContact O-N 2.91Å; V442-L446 HydrophobicContact CG1-CD1 3.91Å; V442-L446 HydrophobicContact CG1-CG 4.29Å; V442-L446 WeakPolarHBondContact O-CG 3.28Å; V442-L446 PolarHBondContact O-N 3.17Å
443	I	97.1	Very high	95.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-53.1	-48.4	174	-60.7	173.5	0	0	0	110.3	L431 L438 D439 S440 K445 L446 V447 L467 A470 V471 I485	L431-I443 HydrophobicContact CD2-CG2 4.4Å; L438-I443 HydrophobicContact CB-CD1 4.17Å; L438-I443 HydrophobicContact CB-CG1 3.69Å; L438-I443 HydrophobicContact CD1-CG1 4.42Å; D439-I443 PolarHBondContact O-N 3.2Å; S440-I443 PolarHBondContact O-N 2.84Å; I443-K445 VanDerWaalsContact C-N 3.3Å; I443-K445 PolarHBondContact O-N 2.97Å; I443-L446 PolarHBondContact O-N 2.83Å; I443-V447 HydrophobicContact CG2-CG2 3.9Å; I443-V447 WeakPolarHBondContact O-CB 2.77Å; I443-V447 VanDerWaalsContact O-CG2 3.3Å; I443-V447 WeakPolarHBondContact O-CG2 3.33Å; I443-V447 PolarHBondContact O-N 2.78Å; I443-L467 HydrophobicContact CG2-CD1 3.35Å; I443-A470 HydrophobicContact CD1-CB 4.25Å; I443-V471 HydrophobicContact CG2-CG2 4.33Å; I443-I485 HydrophobicContact CB-CD1 4.08Å; I443-I485 HydrophobicContact CG2-CD1 3.74Å; I443-I485 HydrophobicContact CG2-CG1 4.41Å
444	Q	96.1	Very high	95.7	Very high	44 Å²	44	44.7 Å²	44.7	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-52.5	-44.4	175.2	-176.1	-169.7	-6.1	0	0	112.9	S440 V442 F448 A481 N484 I485	S440-Q444 VanDerWaalsContact O-CB 3.28Å; S440-Q444 WeakPolarHBondContact O-CB 3.29Å; S440-Q444 PolarHBondContact O-N 3.27Å; V442-Q444 VanDerWaalsContact C-N 3.3Å; V442-Q444 PolarHBondContact O-N 3.17Å; Q444-F448 VanDerWaalsContact O-CB 3.31Å; Q444-F448 WeakPolarHBondContact O-CB 3.42Å; Q444-F448 PolarHBondContact O-N 3.34Å; Q444-F448 VanDerWaalsContact O-N 3.09Å; Q444-A481 HydrophobicContact CB-CB 4.47Å; Q444-N484 HydrophobicContact CG-CB 3.85Å; Q444-N484 VanDerWaalsContact NE2-CG 3.28Å; Q444-I485 HydrophobicContact CB-CD1 4.22Å; Q444-I485 HydrophobicContact CB-CG1 3.96Å; Q444-I485 HydrophobicContact CG-CG1 4.43Å
445	K	96.6	Very high	95.8	Very high	110 Å²	110	43.7 Å²	43.7	48%	0.478	20%	0.201	S	C	.	.	H	α-helix	trans	-70.2	-31.4	179.7	-70.1	171.5	-174.3	176.6	0	112.8	A407 A410 K441 V442 I443 P449	A407-K445 HydrophobicContact CB-CB 4.16Å; A407-K445 HydrophobicContact CB-CD 4.08Å; A410-K445 WeakPolarHBondContact CB-O 3.28Å; K441-K445 WeakPolarHBondContact O-CD 3.26Å; K441-K445 WeakPolarHBondContact O-CG 3.49Å; V442-K445 WeakPolarHBondContact O-CB 3.37Å; V442-K445 PolarHBondContact O-N 2.91Å; I443-K445 VanDerWaalsContact C-N 3.3Å; I443-K445 PolarHBondContact O-N 2.97Å; K445-P449 WeakPolarHBondContact O-CD 3.49Å
446	L	97.9	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-83.7	-28.3	179.7	-63.1	177.5	0	0	0	112.7	M406 A407 A410 I427 F430 L431 L438 V442 I443 P449 F450	M406-L446 HydrophobicContact CB-CD2 3.97Å; M406-L446 HydrophobicContact CG-CD2 3.62Å; A407-L446 HydrophobicContact CB-CD2 4.4Å; A410-L446 HydrophobicContact CB-CD2 4Å; I427-L446 HydrophobicContact CG2-CB 4.15Å; I427-L446 HydrophobicContact CG2-CD2 4.18Å; I427-L446 WeakPolarHBondContact CG2-O 3.44Å; F430-L446 HydrophobicContact CD1-CD1 4.06Å; F430-L446 HydrophobicContact CE1-CD1 4.08Å; L431-L446 HydrophobicContact CD1-CB 3.68Å; L431-L446 HydrophobicContact CD2-CB 4.04Å; L431-L446 HydrophobicContact CD2-CD1 3.91Å; L431-L446 HydrophobicContact CG-CB 3.94Å; L431-L446 HydrophobicContact CG-CD1 4.1Å; L438-L446 HydrophobicContact CD1-CD1 3.75Å; V442-L446 HydrophobicContact CG1-CD1 3.91Å; V442-L446 HydrophobicContact CG1-CG 4.29Å; V442-L446 WeakPolarHBondContact O-CG 3.28Å; V442-L446 PolarHBondContact O-N 3.17Å; I443-L446 PolarHBondContact O-N 2.83Å; L446-P449 WeakPolarHBondContact O-CD 3.39Å; L446-F450 VanDerWaalsContact O-CE2 3.26Å; L446-F450 WeakPolarHBondContact O-CE2 3.49Å
447	V	97.6	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-82.4	-31.9	176.8	175.7	0	0	0	0	112.1	L431 I443 P449 F450 L467 I485 L489	L431-V447 HydrophobicContact CD1-CG2 3.9Å; I443-V447 HydrophobicContact CG2-CG2 3.9Å; I443-V447 WeakPolarHBondContact O-CB 2.77Å; I443-V447 VanDerWaalsContact O-CG2 3.3Å; I443-V447 WeakPolarHBondContact O-CG2 3.33Å; I443-V447 PolarHBondContact O-N 2.78Å; V447-P449 VanDerWaalsContact C-CD 3.43Å; V447-F450 WeakPolarHBondContact O-CD2 3.38Å; V447-F450 PolarHBondContact O-N 2.86Å; V447-F450 VanDerWaalsContact O-N 3.15Å; V447-L467 HydrophobicContact CG1-CD2 4.09Å; V447-L467 HydrophobicContact CG2-CD1 3.72Å; V447-L467 HydrophobicContact CG2-CD2 3.54Å; V447-L467 HydrophobicContact CG2-CG 4.32Å; V447-I485 HydrophobicContact CG1-CG2 4.45Å; V447-L489 HydrophobicContact CG1-CD2 4.41Å
448	F	96.6	Very high	96	Very high	45 Å²	45	39.1 Å²	39.1	20%	0.197	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-35.9	-177.7	175.7	-122.6	0	0	0	116.1	A414 Q444 F450 S451 R452 F742	A414-F448 HydrophobicContact CB-CD1 3.6Å; A414-F448 HydrophobicContact CB-CE1 3.45Å; A414-F448 VanDerWaalsContact CB-CE1 3.45Å; A414-F448 HydrophobicContact CB-CZ 4.3Å; Q444-F448 VanDerWaalsContact O-CB 3.31Å; Q444-F448 WeakPolarHBondContact O-CB 3.42Å; Q444-F448 PolarHBondContact O-N 3.34Å; Q444-F448 VanDerWaalsContact O-N 3.09Å; F448-F450 VanDerWaalsContact C-N 3.31Å; F448-F450 PolarHBondContact O-N 2.96Å; F448-S451 PolarHBondContact O-N 3.44Å; F448-S451 PolarHBondContact O-OG 3.12Å; F448-R452 HydrophobicContact CD2-CB 4.31Å; F448-R452 HydrophobicContact CE1-CB 4.33Å; F448-R452 HydrophobicContact CE1-CG 4.37Å; F448-R452 HydrophobicContact CE2-CB 3.71Å; F448-R452 HydrophobicContact CE2-CG 4.19Å; F448-R452 HydrophobicContact CZ-CB 3.72Å; F448-R452 HydrophobicContact CZ-CG 3.74Å; F448-R452 VanDerWaalsContact O-CB 3.27Å; F448-R452 WeakPolarHBondContact O-CB 3.44Å; F448-R452 PolarHBondContact O-N 2.88Å; F448-F742 HydrophobicContact CD1-CE2 4.25Å; F448-F742 AromaticContact CD2-CE2 3.81Å; F448-F742 HydrophobicContact CD2-CE2 3.81Å; F448-F742 HydrophobicContact CD2-CZ 4.07Å; F448-F742 AromaticContact CE1-CE2 3.81Å; F448-F742 HydrophobicContact CE1-CE2 3.81Å; F448-F742 HydrophobicContact CE1-CZ 4.37Å; F448-F742 AromaticContact CE2-CE2 3.36Å; F448-F742 HydrophobicContact CE2-CE2 3.36Å; F448-F742 AromaticContact CE2-CZ 3.29Å; F448-F742 HydrophobicContact CE2-CZ 3.29Å; F448-F742 HydrophobicContact CG-CE2 4.26Å; F448-F742 AromaticContact CZ-CE2 3.36Å; F448-F742 HydrophobicContact CZ-CE2 3.36Å; F448-F742 AromaticContact CZ-CZ 3.47Å; F448-F742 HydrophobicContact CZ-CZ 3.47Å; F448-F742 VanDerWaalsContact CZ-CZ 3.47Å
449	P	97.6	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.3	-41.8	174.2	-25	32.9	0	0	0	113.4	A410 A414 L424 K445 L446 V447 S451 R452 M453	A410-P449 HydrophobicContact CB-CG 3.67Å; A414-P449 HydrophobicContact CB-CB 4.4Å; A414-P449 HydrophobicContact CB-CG 4.25Å; L424-P449 HydrophobicContact CD2-CB 3.57Å; K445-P449 WeakPolarHBondContact O-CD 3.49Å; L446-P449 WeakPolarHBondContact O-CD 3.39Å; V447-P449 VanDerWaalsContact C-CD 3.43Å; P449-S451 PolarHBondContact O-N 3.15Å; P449-R452 PolarHBondContact O-N 3.22Å; P449-M453 VanDerWaalsContact O-CB 3.24Å; P449-M453 WeakPolarHBondContact O-CB 3.36Å; P449-M453 WeakPolarHBondContact O-CG 3.27Å; P449-M453 PolarHBondContact O-N 3.36Å
450	F	97.9	Very high	96	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-49	-177.4	-62.1	-81.3	0	0	0	111.6	L424 I427 A428 L431 L446 V447 F448 M453 S454 Y455 P457 F463 L492	L424-F450 HydrophobicContact CB-CE1 4.1Å; L424-F450 WeakPolarHBondContact O-CE1 3.47Å; L424-F450 WeakPolarHBondContact O-CZ 3.39Å; I427-F450 HydrophobicContact CB-CE2 4.45Å; I427-F450 HydrophobicContact CB-CZ 4.19Å; I427-F450 HydrophobicContact CG2-CE2 3.9Å; I427-F450 HydrophobicContact CG2-CZ 4.13Å; A428-F450 HydrophobicContact CB-CE1 4.04Å; A428-F450 HydrophobicContact CB-CZ 3.71Å; L431-F450 HydrophobicContact CD1-CE2 4.44Å; L446-F450 VanDerWaalsContact O-CE2 3.26Å; L446-F450 WeakPolarHBondContact O-CE2 3.49Å; V447-F450 WeakPolarHBondContact O-CD2 3.38Å; V447-F450 PolarHBondContact O-N 2.86Å; V447-F450 VanDerWaalsContact O-N 3.15Å; F448-F450 VanDerWaalsContact C-N 3.31Å; F448-F450 PolarHBondContact O-N 2.96Å; F450-M453 PolarHBondContact O-N 3.5Å; F450-S454 PolarHBondContact O-N 3.19Å; F450-S454 VanDerWaalsContact O-N 3.09Å; F450-Y455 WeakPolarHBondContact CB-O 3.3Å; F450-Y455 AromaticContact CD1-CD1 3.93Å; F450-Y455 HydrophobicContact CD1-CD1 3.93Å; F450-Y455 HydrophobicContact CE1-CD1 4.14Å; F450-Y455 HydrophobicContact CE1-CE1 4.42Å; F450-Y455 PolarHBondContact O-N 3.15Å; F450-P457 HydrophobicContact CD1-CG 4.47Å; F450-P457 HydrophobicContact CE1-CB 3.98Å; F450-P457 HydrophobicContact CE1-CG 4.2Å; F450-F463 HydrophobicContact CD2-CE2 4.29Å; F450-F463 AromaticContact CD2-CZ 3.78Å; F450-F463 HydrophobicContact CD2-CZ 3.78Å; F450-F463 AromaticContact CE2-CE2 3.84Å; F450-F463 HydrophobicContact CE2-CE2 3.84Å; F450-F463 AromaticContact CE2-CZ 3.81Å; F450-F463 HydrophobicContact CE2-CZ 3.81Å; F450-F463 HydrophobicContact CG-CZ 4.2Å; F450-F463 HydrophobicContact CZ-CE2 4.06Å; F450-F463 HydrophobicContact CZ-CZ 4.28Å; F450-L492 HydrophobicContact CB-CD1 3.8Å; F450-L492 HydrophobicContact CB-CD2 4.31Å; F450-L492 WeakPolarHBondContact O-CD2 3.28Å
451	S	95.6	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-44.1	175.4	57.2	0	0	0	0	111.9	F448 P449 M453 S454 S488 G813	F448-S451 PolarHBondContact O-N 3.44Å; F448-S451 PolarHBondContact O-OG 3.12Å; P449-S451 PolarHBondContact O-N 3.15Å; S451-M453 PolarHBondContact O-N 3.13Å; S451-S454 PolarHBondContact O-N 2.98Å; S451-S488 WeakPolarHBondContact CB-O 3.38Å; S451-S488 VanDerWaalsContact OG-CB 3.25Å; S451-S488 WeakPolarHBondContact OG-CB 3.46Å; S451-S488 PolarHBondContact OG-OG 3.15Å; S451-G813 WeakPolarHBondContact O-CA 3.34Å; S451-G813 PolarHBondContact O-N 3.18Å
452	R	94.8	Very high	96.2	Very high	60 Å²	60	45.7 Å²	45.7	23%	0.226	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-33.8	178	-170.2	50.1	167.1	157.8	-2.9	112.8	A414 F448 P449 V812	A414-R452 HydrophobicContact CB-CB 4.26Å; A414-R452 HydrophobicContact CB-CG 4.22Å; A414-R452 WeakPolarHBondContact O-CG 3.41Å; F448-R452 HydrophobicContact CD2-CB 4.31Å; F448-R452 HydrophobicContact CE1-CB 4.33Å; F448-R452 HydrophobicContact CE1-CG 4.37Å; F448-R452 HydrophobicContact CE2-CB 3.71Å; F448-R452 HydrophobicContact CE2-CG 4.19Å; F448-R452 HydrophobicContact CZ-CB 3.72Å; F448-R452 HydrophobicContact CZ-CG 3.74Å; F448-R452 VanDerWaalsContact O-CB 3.27Å; F448-R452 WeakPolarHBondContact O-CB 3.44Å; F448-R452 PolarHBondContact O-N 2.88Å; P449-R452 PolarHBondContact O-N 3.22Å; R452-V812 WeakPolarHBondContact O-CA 3.24Å; R452-V812 WeakPolarHBondContact O-CB 3.46Å; R452-V812 WeakPolarHBondContact O-CG1 3.21Å
453	M	95.4	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.7	-175.5	-59.4	-34.4	-60.6	0	0	115	R417 R419 L424 P449 F450 S451 Y455 C805	R417-M453 VanDerWaalsContact C-SD 3.58Å; R417-M453 WeakPolarHBondContact CA-SD 3.13Å; R417-M453 HydrophobicContact CB-CE 4Å; R417-M453 HydrophobicContact CB-SD 4.08Å; R417-M453 WeakPolarHBondContact O-CE 3.47Å; R419-M453 HydrophobicContact CB-CE 3.77Å; R419-M453 HydrophobicContact CG-CB 4.28Å; R419-M453 HydrophobicContact CG-CE 4.3Å; R419-M453 PolarHBondContact NE-O 3.2Å; R419-M453 VanDerWaalsContact NE-O 3.07Å; L424-M453 HydrophobicContact CD1-CB 4.34Å; L424-M453 HydrophobicContact CD1-CG 4.39Å; P449-M453 VanDerWaalsContact O-CB 3.24Å; P449-M453 WeakPolarHBondContact O-CB 3.36Å; P449-M453 WeakPolarHBondContact O-CG 3.27Å; P449-M453 PolarHBondContact O-N 3.36Å; F450-M453 PolarHBondContact O-N 3.5Å; S451-M453 PolarHBondContact O-N 3.13Å; M453-Y455 PolarHBondContact O-N 2.77Å; M453-C805 HydrophobicContact CE-CB 3.52Å; M453-C805 WeakPolarHBondContact CE-SG 3.49Å
454	S	95.7	Very high	96.2	Very high	34 Å²	34	45.2 Å²	45.2	24%	0.238	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	52.2	-170.5	-67.7	0	0	0	0	111.2	R419 F450 S451 L811 G813	R419-S454 PolarHBondContact NH2-O 2.91Å; F450-S454 PolarHBondContact O-N 3.19Å; F450-S454 VanDerWaalsContact O-N 3.09Å; S451-S454 PolarHBondContact O-N 2.98Å; S454-L811 VanDerWaalsContact CB-O 3.24Å; S454-L811 WeakPolarHBondContact CB-O 3.06Å; S454-L811 PolarHBondContact OG-O 2.94Å; S454-G813 WeakPolarHBondContact OG-CA 3.37Å; S454-G813 PolarHBondContact OG-N 3.15Å
455	Y	96.9	Very high	96.2	Very high	22 Å²	22	45.3 Å²	45.3	9%	0.086	23%	0.229	C	C	.	.			trans	-125.8	123.5	-176.6	-178.4	-110.5	0	0	0	110.1	T421 L424 D425 F450 M453 P457 L492	T421-Y455 HydrophobicContact CG2-CD2 4.08Å; T421-Y455 HydrophobicContact CG2-CE2 3.56Å; L424-Y455 HydrophobicContact CB-CD1 3.57Å; L424-Y455 HydrophobicContact CB-CE1 3.55Å; L424-Y455 HydrophobicContact CD1-CD1 3.59Å; L424-Y455 HydrophobicContact CD1-CE1 4.24Å; L424-Y455 HydrophobicContact CD1-CG 3.94Å; L424-Y455 HydrophobicContact CG-CD1 4.14Å; D425-Y455 VanDerWaalsContact CG-OH 3.31Å; D425-Y455 PolarHBondContact OD1-OH 3.04Å; D425-Y455 PolarHBondContact OD2-OH 3.16Å; F450-Y455 WeakPolarHBondContact CB-O 3.3Å; F450-Y455 AromaticContact CD1-CD1 3.93Å; F450-Y455 HydrophobicContact CD1-CD1 3.93Å; F450-Y455 HydrophobicContact CE1-CD1 4.14Å; F450-Y455 HydrophobicContact CE1-CE1 4.42Å; F450-Y455 PolarHBondContact O-N 3.15Å; M453-Y455 PolarHBondContact O-N 2.77Å; Y455-P457 HydrophobicContact CE1-CB 4.46Å; Y455-L492 WeakPolarHBondContact O-CD2 3.47Å
456	R	95.8	Very high	96.2	Very high	105 Å²	105	45.7 Å²	45.7	40%	0.396	23%	0.227	S	C	.	.			trans	-97.4	135.7	166	-59.4	-167.7	-172	163.7	-1.7	108.3	E460 L492 G493	R456-E460 HydrophobicContact CB-CG 4.36Å; R456-E460 WeakPolarHBondContact CB-OE2 3.46Å; R456-E460 WeakPolarHBondContact CD-OE1 3.42Å; R456-E460 WeakPolarHBondContact CD-OE2 3.29Å; R456-E460 IonicContact CZ-OE1 3.43Å; R456-E460 IonicContact NE-OE1 2.75Å; R456-E460 IonicContact NH1-OE1 2.74Å; R456-E460 PolarHBondContact NH1-OE1 3.21Å; R456-E460 IonicContact NH1-OE2 3.91Å; R456-L492 HydrophobicContact CG-CD2 4.19Å; R456-L492 VanDerWaalsContact CZ-O 3.27Å; R456-L492 PolarHBondContact NE-O 3.12Å; R456-L492 PolarHBondContact NH2-O 2.72Å; R456-G493 PolarHBondContact NH2-O 3.28Å
457	P	95.8	Very high	96.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.019	23%	0.228	C	C	.	.			trans	-73.5	158.1	-176.3	29.5	-33.5	0	0	0	112.1	D425 A428 F450 Y455 A459 E460 F463	D425-P457 WeakPolarHBondContact OD1-CA 3.43Å; D425-P457 WeakPolarHBondContact OD1-CB 3.32Å; A428-P457 HydrophobicContact CB-CB 3.42Å; A428-P457 VanDerWaalsContact CB-CB 3.42Å; A428-P457 HydrophobicContact CB-CG 3.78Å; F450-P457 HydrophobicContact CD1-CG 4.47Å; F450-P457 HydrophobicContact CE1-CB 3.98Å; F450-P457 HydrophobicContact CE1-CG 4.2Å; Y455-P457 HydrophobicContact CE1-CB 4.46Å; P457-A459 PolarHBondContact O-N 2.94Å; P457-E460 WeakPolarHBondContact O-CA 3.34Å; P457-E460 WeakPolarHBondContact O-CB 3.41Å; P457-E460 PolarHBondContact O-N 3.09Å; P457-F463 HydrophobicContact CG-CB 3.8Å; P457-F463 HydrophobicContact CG-CD1 3.72Å; P457-F463 HydrophobicContact CG-CD2 4.05Å; P457-F463 HydrophobicContact CG-CE1 4.28Å; P457-F463 HydrophobicContact CG-CG 3.58Å
458	S	94.6	Very high	96	Very high	103 Å²	103	48.3 Å²	48.3	72%	0.72	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	179.2	-59	0	0	0	0	113.5	D425	D425-S458 PolarHBondContact OD1-N 3.21Å; D425-S458 VanDerWaalsContact OD2-CB 3.28Å; D425-S458 WeakPolarHBondContact OD2-CB 3.43Å; D425-S458 PolarHBondContact OD2-OG 2.97Å
459	A	94.1	Very high	95.9	Very high	40 Å²	40	50.9 Å²	50.9	33%	0.331	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	34.1	175.2	0	0	0	0	0	113.4	I432 P457 Q461 Q462 F463	I432-A459 HydrophobicContact CD1-CB 3.81Å; P457-A459 PolarHBondContact O-N 2.94Å; A459-Q461 PolarHBondContact O-N 3.35Å; A459-Q461 VanDerWaalsContact O-N 3.11Å; A459-Q462 PolarHBondContact O-N 3.31Å; A459-F463 PolarHBondContact O-N 2.99Å
460	E	95.4	Very high	95.8	Very high	68 Å²	68	51.1 Å²	51.1	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-39.1	-53.1	-169.4	-171.4	170.7	153.1	0	0	115	R456 P457 F463 F464	R456-E460 HydrophobicContact CB-CG 4.36Å; R456-E460 WeakPolarHBondContact CB-OE2 3.46Å; R456-E460 WeakPolarHBondContact CD-OE1 3.42Å; R456-E460 WeakPolarHBondContact CD-OE2 3.29Å; R456-E460 IonicContact CZ-OE1 3.43Å; R456-E460 IonicContact NE-OE1 2.75Å; R456-E460 IonicContact NH1-OE1 2.74Å; R456-E460 PolarHBondContact NH1-OE1 3.21Å; R456-E460 IonicContact NH1-OE2 3.91Å; P457-E460 WeakPolarHBondContact O-CA 3.34Å; P457-E460 WeakPolarHBondContact O-CB 3.41Å; P457-E460 PolarHBondContact O-N 3.09Å; E460-F463 PolarHBondContact O-N 3.46Å; E460-F464 HydrophobicContact CG-CD2 3.66Å; E460-F464 HydrophobicContact CG-CE2 3.4Å; E460-F464 HydrophobicContact CG-CZ 4.41Å; E460-F464 WeakPolarHBondContact O-CD2 3.41Å; E460-F464 PolarHBondContact O-N 3.09Å
461	Q	95.3	Very high	95.6	Very high	174 Å²	174	51.3 Å²	51.3	81%	0.813	26%	0.256	S	S	*	.	H	α-helix	trans	-63.7	-44.5	-176.6	-66.3	178.3	-11	0	0	113.1	A459 S465	A459-Q461 PolarHBondContact O-N 3.35Å; A459-Q461 VanDerWaalsContact O-N 3.11Å; Q461-S465 PolarHBondContact O-N 2.78Å; Q461-S465 VanDerWaalsContact O-N 3.09Å
462	Q	96.6	Very high	95.5	Very high	127 Å²	127	53.5 Å²	53.5	59%	0.593	27%	0.266	S	S	*	.	H	α-helix	trans	-72.4	-36.6	179.7	-62.4	-177.9	13.3	0	0	111.4	I432 A459 R466	I432-Q462 HydrophobicContact CD1-CB 4.17Å; I432-Q462 HydrophobicContact CG1-CB 4.44Å; A459-Q462 PolarHBondContact O-N 3.31Å; Q462-R466 WeakPolarHBondContact O-CB 3.37Å; Q462-R466 WeakPolarHBondContact O-CG 3.38Å; Q462-R466 PolarHBondContact O-N 2.91Å
463	F	97.4	Very high	95.4	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-48.3	174.9	173	-98.7	0	0	0	111.3	A428 L431 I432 F450 P457 A459 E460 L467	A428-F463 HydrophobicContact CB-CD2 3.59Å; A428-F463 HydrophobicContact CB-CE2 3.95Å; A428-F463 HydrophobicContact CB-CG 4.37Å; L431-F463 HydrophobicContact CB-CD2 4.5Å; L431-F463 HydrophobicContact CB-CE2 4.27Å; L431-F463 HydrophobicContact CD1-CE2 3.65Å; L431-F463 HydrophobicContact CD1-CZ 4.28Å; I432-F463 HydrophobicContact CD1-CB 4.05Å; I432-F463 HydrophobicContact CG1-CB 4.21Å; F450-F463 HydrophobicContact CD2-CE2 4.29Å; F450-F463 AromaticContact CD2-CZ 3.78Å; F450-F463 HydrophobicContact CD2-CZ 3.78Å; F450-F463 AromaticContact CE2-CE2 3.84Å; F450-F463 HydrophobicContact CE2-CE2 3.84Å; F450-F463 AromaticContact CE2-CZ 3.81Å; F450-F463 HydrophobicContact CE2-CZ 3.81Å; F450-F463 HydrophobicContact CG-CZ 4.2Å; F450-F463 HydrophobicContact CZ-CE2 4.06Å; F450-F463 HydrophobicContact CZ-CZ 4.28Å; P457-F463 HydrophobicContact CG-CB 3.8Å; P457-F463 HydrophobicContact CG-CD1 3.72Å; P457-F463 HydrophobicContact CG-CD2 4.05Å; P457-F463 HydrophobicContact CG-CE1 4.28Å; P457-F463 HydrophobicContact CG-CG 3.58Å; A459-F463 PolarHBondContact O-N 2.99Å; E460-F463 PolarHBondContact O-N 3.46Å; F463-L467 HydrophobicContact CE1-CD2 4.04Å; F463-L467 HydrophobicContact CZ-CD2 4.05Å; F463-L467 WeakPolarHBondContact O-CB 3.4Å; F463-L467 PolarHBondContact O-N 3.39Å
464	F	96.9	Very high	95.2	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-49.3	179.9	-71.5	-41.5	0	0	0	112.5	E460 R466 L467 E468 L489 L492 H494	E460-F464 HydrophobicContact CG-CD2 3.66Å; E460-F464 HydrophobicContact CG-CE2 3.4Å; E460-F464 HydrophobicContact CG-CZ 4.41Å; E460-F464 WeakPolarHBondContact O-CD2 3.41Å; E460-F464 PolarHBondContact O-N 3.09Å; F464-R466 PolarHBondContact O-N 3.29Å; F464-L467 CarbonylContact O-C 3.57Å; F464-L467 WeakPolarHBondContact O-CB 3.44Å; F464-L467 PolarHBondContact O-N 2.92Å; F464-E468 WeakPolarHBondContact O-CG 3.46Å; F464-E468 PolarHBondContact O-N 2.95Å; F464-L489 HydrophobicContact CD1-CD2 3.97Å; F464-L489 HydrophobicContact CE1-CD2 3.74Å; F464-L492 HydrophobicContact CE1-CD1 4.13Å; F464-L492 HydrophobicContact CZ-CB 4.39Å; F464-L492 HydrophobicContact CZ-CD1 4.26Å; F464-H494 AromaticContact CD1-CD2 3.32Å; F464-H494 WeakPolarHBondContact CD1-CD2 3.4Å; F464-H494 AromaticContact CD1-NE2 3.76Å; F464-H494 HydrophobicContact CD2-CB 4.47Å; F464-H494 HydrophobicContact CE1-CB 4.31Å; F464-H494 AromaticContact CE1-CD2 3.68Å; F464-H494 HydrophobicContact CE2-CB 4.07Å; F464-H494 AromaticContact CG-CD2 3.52Å; F464-H494 AromaticContact CG-NE2 3.65Å; F464-H494 HydrophobicContact CZ-CB 4Å
465	S	95.9	Very high	94.8	Very high	47 Å²	47	56.9 Å²	56.9	33%	0.329	28%	0.283	S	S	.	.	H	α-helix	trans	-58	-46	-179.5	117.9	0	0	0	0	112.5	Q461 L467 E468 E469	Q461-S465 PolarHBondContact O-N 2.78Å; Q461-S465 VanDerWaalsContact O-N 3.09Å; S465-L467 PolarHBondContact O-N 3.33Å; S465-E468 PolarHBondContact O-N 3.23Å; S465-E469 VanDerWaalsContact O-CG 3.26Å; S465-E469 WeakPolarHBondContact O-CG 3.24Å; S465-E469 PolarHBondContact O-N 2.88Å; S465-E469 PolarHBondContact OG-OE1 3.12Å
466	R	96.1	Very high	94.3	Very high	117 Å²	117	59.5 Å²	59.5	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-28.1	178	-69.9	-63.7	-177.1	83.3	-7.6	113.4	I432 Q462 F464 E469 A470	I432-R466 HydrophobicContact CG2-CG 4.45Å; I432-R466 PolarHBondContact O-NH1 2.97Å; Q462-R466 WeakPolarHBondContact O-CB 3.37Å; Q462-R466 WeakPolarHBondContact O-CG 3.38Å; Q462-R466 PolarHBondContact O-N 2.91Å; F464-R466 PolarHBondContact O-N 3.29Å; R466-E469 WeakPolarHBondContact CD-OE2 3.4Å; R466-E469 IonicContact NE-OE2 2.68Å; R466-A470 WeakPolarHBondContact O-CB 3.26Å; R466-A470 PolarHBondContact O-N 3.35Å
467	L	96	Very high	93.9	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-78.2	-39.4	175.8	-179.5	55.5	0	0	0	111.7	I443 V447 F463 F464 S465 V471 I485 L489	I443-L467 HydrophobicContact CG2-CD1 3.35Å; V447-L467 HydrophobicContact CG1-CD2 4.09Å; V447-L467 HydrophobicContact CG2-CD1 3.72Å; V447-L467 HydrophobicContact CG2-CD2 3.54Å; V447-L467 HydrophobicContact CG2-CG 4.32Å; F463-L467 HydrophobicContact CE1-CD2 4.04Å; F463-L467 HydrophobicContact CZ-CD2 4.05Å; F463-L467 WeakPolarHBondContact O-CB 3.4Å; F463-L467 PolarHBondContact O-N 3.39Å; F464-L467 CarbonylContact O-C 3.57Å; F464-L467 WeakPolarHBondContact O-CB 3.44Å; F464-L467 PolarHBondContact O-N 2.92Å; S465-L467 PolarHBondContact O-N 3.33Å; L467-V471 HydrophobicContact CD1-CG2 3.7Å; L467-V471 HydrophobicContact CG-CG2 4.39Å; L467-V471 VanDerWaalsContact O-CB 3.23Å; L467-V471 WeakPolarHBondContact O-CB 3.39Å; L467-V471 WeakPolarHBondContact O-CG2 3.24Å; L467-V471 PolarHBondContact O-N 3.45Å; L467-I485 HydrophobicContact CD1-CG2 4.27Å; L467-L489 HydrophobicContact CD2-CD2 3.73Å
468	E	95.4	Very high	93.6	Very high	52 Å²	52	60.9 Å²	60.9	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-56.5	172	-69.6	-172.8	151.6	0	0	111	F464 S465 A470 V471 E472 H494 P496	F464-E468 WeakPolarHBondContact O-CG 3.46Å; F464-E468 PolarHBondContact O-N 2.95Å; S465-E468 PolarHBondContact O-N 3.23Å; E468-A470 VanDerWaalsContact C-N 3.35Å; E468-A470 PolarHBondContact O-N 3.49Å; E468-V471 PolarHBondContact O-N 2.85Å; E468-V471 VanDerWaalsContact O-N 3.13Å; E468-E472 WeakPolarHBondContact O-CB 3.24Å; E468-E472 PolarHBondContact O-N 3.34Å; E468-H494 IonicContact OE1-CE1 3.5Å; E468-H494 PolarHBondContact OE1-CE1 3.08Å; E468-H494 IonicContact OE1-NE2 3.32Å; E468-H494 PolarHBondContact OE1-NE2 2.81Å; E468-P496 HydrophobicContact CG-CB 3.64Å; E468-P496 WeakPolarHBondContact OE1-CA 3.38Å; E468-P496 WeakPolarHBondContact OE1-CB 3.26Å
469	E	94.9	Very high	93.3	Very high	98 Å²	98	57 Å²	57	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-51.3	-51.6	178.2	-69.2	159.5	-148	0	0	111.5	S465 R466 V471 L473	S465-E469 VanDerWaalsContact O-CG 3.26Å; S465-E469 WeakPolarHBondContact O-CG 3.24Å; S465-E469 PolarHBondContact O-N 2.88Å; S465-E469 PolarHBondContact OG-OE1 3.12Å; R466-E469 WeakPolarHBondContact CD-OE2 3.4Å; R466-E469 IonicContact NE-OE2 2.68Å; E469-V471 VanDerWaalsContact C-N 3.32Å; E469-V471 PolarHBondContact O-N 2.94Å; E469-L473 WeakPolarHBondContact O-CG 3.29Å; E469-L473 PolarHBondContact O-N 2.82Å
470	A	94.9	Very high	93.1	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-69.9	-25	-177	0	0	0	0	0	114	A435 I443 R466 E468 K474	A435-A470 HydrophobicContact CB-CB 3.74Å; I443-A470 HydrophobicContact CD1-CB 4.25Å; R466-A470 WeakPolarHBondContact O-CB 3.26Å; R466-A470 PolarHBondContact O-N 3.35Å; E468-A470 VanDerWaalsContact C-N 3.35Å; E468-A470 PolarHBondContact O-N 3.49Å; A470-K474 VanDerWaalsContact O-CG 3.3Å; A470-K474 WeakPolarHBondContact O-CG 3.36Å; A470-K474 PolarHBondContact O-NZ 3.36Å
471	V	94.8	Very high	93	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-89	-37.8	179.3	172.6	0	0	0	0	111.5	I443 L467 E468 E469 K474 A475 T482 I485 V499	I443-V471 HydrophobicContact CG2-CG2 4.33Å; L467-V471 HydrophobicContact CD1-CG2 3.7Å; L467-V471 HydrophobicContact CG-CG2 4.39Å; L467-V471 VanDerWaalsContact O-CB 3.23Å; L467-V471 WeakPolarHBondContact O-CB 3.39Å; L467-V471 WeakPolarHBondContact O-CG2 3.24Å; L467-V471 PolarHBondContact O-N 3.45Å; E468-V471 PolarHBondContact O-N 2.85Å; E468-V471 VanDerWaalsContact O-N 3.13Å; E469-V471 VanDerWaalsContact C-N 3.32Å; E469-V471 PolarHBondContact O-N 2.94Å; V471-K474 CarbonylContact O-C 3.4Å; V471-K474 PolarHBondContact O-N 2.96Å; V471-A475 WeakPolarHBondContact O-CA 3.32Å; V471-A475 WeakPolarHBondContact O-CB 3.48Å; V471-A475 PolarHBondContact O-N 2.74Å; V471-T482 HydrophobicContact CG1-CG2 3.93Å; V471-I485 HydrophobicContact CG2-CD1 4.04Å; V471-I485 HydrophobicContact CG2-CG2 3.95Å; V471-V499 HydrophobicContact CG1-CG1 3.79Å; V471-V499 HydrophobicContact CG1-CG2 4.44Å
472	E	93.3	Very high	93	Very high	46 Å²	46	46 Å²	46	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-46.4	179.5	-156	-157.8	134.7	0	0	111.2	E468 K474 A475 T498 V499 R502	E468-E472 WeakPolarHBondContact O-CB 3.24Å; E468-E472 PolarHBondContact O-N 3.34Å; E472-K474 PolarHBondContact O-N 3.49Å; E472-A475 WeakPolarHBondContact O-CB 3.49Å; E472-A475 PolarHBondContact O-N 3.49Å; E472-T498 WeakPolarHBondContact OE2-CB 3.44Å; E472-T498 PolarHBondContact OE2-OG1 2.8Å; E472-V499 HydrophobicContact CB-CG2 3.94Å; E472-V499 HydrophobicContact CG-CG2 4.24Å; E472-R502 HydrophobicContact CG-CG 3.83Å; E472-R502 PolarHBondContact O-NH1 3.49Å; E472-R502 IonicContact OE1-CZ 2.76Å; E472-R502 IonicContact OE1-NE 3.48Å; E472-R502 PolarHBondContact OE1-NE 2.97Å; E472-R502 IonicContact OE1-NH2 3.73Å; E472-R502 PolarHBondContact OE1-NH2 3.01Å
473	L	91.6	Very high	92.9	Very high	124 Å²	124	40 Å²	40	65%	0.649	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.3	175.7	-68.8	172.9	0	0	0	112.6	E469	E469-L473 WeakPolarHBondContact O-CG 3.29Å; E469-L473 PolarHBondContact O-N 2.82Å
474	K	91.4	Very high	92.7	Very high	41 Å²	41	40.6 Å²	40.6	18%	0.178	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.6	-175.2	-58	-173.1	-175.3	92.9	0	114	A435 E436 L438 S440 A470 V471 E472 L476 C477	A435-K474 PolarHBondContact O-NZ 2.84Å; E436-K474 WeakPolarHBondContact O-CE 3.25Å; E436-K474 PolarHBondContact O-NZ 2.88Å; L438-K474 WeakPolarHBondContact O-CD 3.2Å; L438-K474 WeakPolarHBondContact O-CE 3.46Å; L438-K474 PolarHBondContact O-NZ 2.9Å; S440-K474 WeakPolarHBondContact OG-CB 3.49Å; A470-K474 VanDerWaalsContact O-CG 3.3Å; A470-K474 WeakPolarHBondContact O-CG 3.36Å; A470-K474 PolarHBondContact O-NZ 3.36Å; V471-K474 CarbonylContact O-C 3.4Å; V471-K474 PolarHBondContact O-N 2.96Å; E472-K474 PolarHBondContact O-N 3.49Å; K474-L476 PolarHBondContact O-N 3.36Å; K474-C477 PolarHBondContact O-N 3.02Å
475	A	88.4	Confident	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-49.8	-167.2	0	0	0	0	0	113.7	V471 E472 C477 T482 R502 F508	V471-A475 WeakPolarHBondContact O-CA 3.32Å; V471-A475 WeakPolarHBondContact O-CB 3.48Å; V471-A475 PolarHBondContact O-N 2.74Å; E472-A475 WeakPolarHBondContact O-CB 3.49Å; E472-A475 PolarHBondContact O-N 3.49Å; A475-C477 VanDerWaalsContact C-N 3.32Å; A475-C477 PolarHBondContact O-N 3.28Å; A475-T482 HydrophobicContact CB-CG2 4.09Å; A475-T482 PolarHBondContact O-OG1 3.46Å; A475-R502 HydrophobicContact CB-CB 4.24Å; A475-F508 WeakPolarHBondContact O-CE2 3.31Å
476	L	86.8	Confident	92.8	Very high	77 Å²	77	37.8 Å²	37.8	40%	0.403	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.4	-178.2	-63.4	169	0	0	0	112.9	K474 F508 N511	K474-L476 PolarHBondContact O-N 3.36Å; L476-F508 HydrophobicContact CD2-CB 4.07Å; L476-F508 HydrophobicContact CD2-CD2 4.07Å; L476-N511 PolarHBondContact O-ND2 2.89Å
477	C	87	Confident	92.7	Very high	111 Å²	111	32.7 Å²	32.7	75%	0.75	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.1	-174.4	-56	0	0	0	0	113.3	K474 A475	K474-C477 PolarHBondContact O-N 3.02Å; A475-C477 VanDerWaalsContact C-N 3.32Å; A475-C477 PolarHBondContact O-N 3.28Å
478	S	87.9	Confident	92.7	Very high	26 Å²	26	32.9 Å²	32.9	18%	0.182	18%	0.179	C	C	.	.			trans	-148.6	67.1	176.7	-141.1	0	0	0	0	112.6	L480 A481 T482	S478-L480 VanDerWaalsContact C-N 3.34Å; S478-L480 PolarHBondContact O-N 3.25Å; S478-L480 VanDerWaalsContact O-N 3.16Å; S478-A481 WeakPolarHBondContact O-CB 3.41Å; S478-A481 PolarHBondContact O-N 2.72Å; S478-T482 PolarHBondContact O-N 2.68Å; S478-T482 PolarHBondContact O-OG1 3.47Å
479	P	89.4	Confident	92.8	Very high	21 Å²	21	30.6 Å²	30.6	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-53.2	-43.7	-167.8	-30.2	37.5	0	0	0	114.8	A481 T482 V483 F508 V512	P479-A481 PolarHBondContact O-N 3.4Å; P479-T482 PolarHBondContact O-N 3.42Å; P479-V483 WeakPolarHBondContact O-CG2 3.43Å; P479-V483 PolarHBondContact O-N 2.91Å; P479-F508 HydrophobicContact CB-CE1 4.22Å; P479-F508 HydrophobicContact CB-CE2 3.73Å; P479-F508 HydrophobicContact CB-CZ 3.52Å; P479-F508 HydrophobicContact CG-CE2 4.25Å; P479-F508 HydrophobicContact CG-CZ 4.48Å; P479-V512 HydrophobicContact CB-CG2 3.52Å; P479-V512 HydrophobicContact CG-CG2 4.33Å
480	L	90.5	Very high	92.9	Very high	49 Å²	49	26 Å²	26	26%	0.257	15%	0.146	S	C	.	.	H	α-helix	trans	-63.4	-39.9	177.1	178.7	63.5	0	0	0	112.2	S478 N484 Y517 V521	S478-L480 VanDerWaalsContact C-N 3.34Å; S478-L480 PolarHBondContact O-N 3.25Å; S478-L480 VanDerWaalsContact O-N 3.16Å; L480-N484 WeakPolarHBondContact CD1-ND2 3.29Å; L480-N484 PolarHBondContact O-N 3.4Å; L480-N484 VanDerWaalsContact O-N 3.1Å; L480-N484 PolarHBondContact O-ND2 3.37Å; L480-Y517 HydrophobicContact CD2-CD1 3.87Å; L480-Y517 HydrophobicContact CD2-CD2 4.32Å; L480-Y517 HydrophobicContact CD2-CE1 4.2Å; L480-Y517 HydrophobicContact CD2-CG 3.94Å; L480-V521 HydrophobicContact CB-CG2 4.36Å; L480-V521 HydrophobicContact CD1-CG2 3.66Å
481	A	93.2	Very high	92.9	Very high	2 Å²	2	27 Å²	27	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-44.3	178.1	0	0	0	0	0	110.8	K441 Q444 S478 P479 V483 N484 I485	K441-A481 HydrophobicContact CG-CB 4.45Å; Q444-A481 HydrophobicContact CB-CB 4.47Å; S478-A481 WeakPolarHBondContact O-CB 3.41Å; S478-A481 PolarHBondContact O-N 2.72Å; P479-A481 PolarHBondContact O-N 3.4Å; A481-V483 PolarHBondContact O-N 3.09Å; A481-N484 PolarHBondContact O-N 2.76Å; A481-I485 VanDerWaalsContact O-CG1 3.29Å; A481-I485 WeakPolarHBondContact O-CG1 3.2Å; A481-I485 PolarHBondContact O-N 3.02Å
482	T	94.9	Very high	92.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-46	175.5	-61.2	0	0	0	0	112.2	V471 A475 S478 P479 I485 L486 V499 V503 F508	V471-T482 HydrophobicContact CG1-CG2 3.93Å; A475-T482 HydrophobicContact CB-CG2 4.09Å; A475-T482 PolarHBondContact O-OG1 3.46Å; S478-T482 PolarHBondContact O-N 2.68Å; S478-T482 PolarHBondContact O-OG1 3.47Å; P479-T482 PolarHBondContact O-N 3.42Å; T482-I485 PolarHBondContact O-N 2.91Å; T482-L486 PolarHBondContact O-N 3.26Å; T482-V499 HydrophobicContact CG2-CG1 4.34Å; T482-V503 HydrophobicContact CG2-CG2 3.7Å; T482-F508 HydrophobicContact CG2-CE2 4.43Å
483	V	94.2	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.4	-34.1	178.6	170.3	0	0	0	0	112.3	P479 A481 I485 L486 M487 V503 F508 V521 Y524 L525 L528	P479-V483 WeakPolarHBondContact O-CG2 3.43Å; P479-V483 PolarHBondContact O-N 2.91Å; A481-V483 PolarHBondContact O-N 3.09Å; V483-I485 VanDerWaalsContact C-N 3.34Å; V483-L486 PolarHBondContact O-N 3.03Å; V483-M487 WeakPolarHBondContact O-CB 3.42Å; V483-M487 PolarHBondContact O-N 3.01Å; V483-V503 HydrophobicContact CG2-CG1 4.04Å; V483-F508 HydrophobicContact CG2-CE1 3.89Å; V483-F508 HydrophobicContact CG2-CZ 3.7Å; V483-V521 HydrophobicContact CB-CG1 4.43Å; V483-V521 HydrophobicContact CG1-CG1 4.36Å; V483-V521 HydrophobicContact CG2-CG1 4.06Å; V483-Y524 HydrophobicContact CG1-CD2 3.85Å; V483-Y524 HydrophobicContact CG1-CG 4.12Å; V483-L525 HydrophobicContact CG2-CD2 4.14Å; V483-L528 HydrophobicContact CG1-CD1 3.99Å
484	N	94.2	Very high	93.2	Very high	14 Å²	14	21.7 Å²	21.7	8%	0.075	13%	0.127	C	C	.	.	H	α-helix	trans	-68.8	-31.1	171.8	-81.9	-85.9	0	0	0	112.9	Q444 L480 A481 S488	Q444-N484 HydrophobicContact CG-CB 3.85Å; Q444-N484 VanDerWaalsContact NE2-CG 3.28Å; L480-N484 WeakPolarHBondContact CD1-ND2 3.29Å; L480-N484 PolarHBondContact O-N 3.4Å; L480-N484 VanDerWaalsContact O-N 3.1Å; L480-N484 PolarHBondContact O-ND2 3.37Å; A481-N484 PolarHBondContact O-N 2.76Å; N484-S488 PolarHBondContact O-N 2.93Å; N484-S488 VanDerWaalsContact O-N 3.16Å; N484-S488 PolarHBondContact O-OG 3.48Å
485	I	96.8	Very high	93.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-69.4	-49	172.7	-66	159.7	0	0	0	109.7	I443 Q444 V447 L467 V471 A481 T482 V483 M487 S488 L489	I443-I485 HydrophobicContact CB-CD1 4.08Å; I443-I485 HydrophobicContact CG2-CD1 3.74Å; I443-I485 HydrophobicContact CG2-CG1 4.41Å; Q444-I485 HydrophobicContact CB-CD1 4.22Å; Q444-I485 HydrophobicContact CB-CG1 3.96Å; Q444-I485 HydrophobicContact CG-CG1 4.43Å; V447-I485 HydrophobicContact CG1-CG2 4.45Å; L467-I485 HydrophobicContact CD1-CG2 4.27Å; V471-I485 HydrophobicContact CG2-CD1 4.04Å; V471-I485 HydrophobicContact CG2-CG2 3.95Å; A481-I485 VanDerWaalsContact O-CG1 3.29Å; A481-I485 WeakPolarHBondContact O-CG1 3.2Å; A481-I485 PolarHBondContact O-N 3.02Å; T482-I485 PolarHBondContact O-N 2.91Å; V483-I485 VanDerWaalsContact C-N 3.34Å; I485-M487 VanDerWaalsContact C-N 3.31Å; I485-M487 PolarHBondContact O-N 3.49Å; I485-S488 WeakPolarHBondContact O-CA 3.3Å; I485-S488 VanDerWaalsContact O-CB 3.32Å; I485-S488 WeakPolarHBondContact O-CB 3.49Å; I485-S488 PolarHBondContact O-N 3.29Å; I485-L489 HydrophobicContact CG2-CD1 4.4Å; I485-L489 HydrophobicContact CG2-CG 4.44Å; I485-L489 WeakPolarHBondContact O-CG 3.16Å; I485-L489 PolarHBondContact O-N 3.21Å
486	L	96.6	Very high	93.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-54.7	-45.3	173.4	-75.7	-178.9	0	0	0	112.3	T482 V483 S488 L489 F490 P496 V499 L500 V503 L528	T482-L486 PolarHBondContact O-N 3.26Å; V483-L486 PolarHBondContact O-N 3.03Å; L486-S488 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 3.11Å; L486-L489 VanDerWaalsContact O-N 3.11Å; L486-F490 WeakPolarHBondContact O-CB 3.49Å; L486-F490 VanDerWaalsContact O-CD1 3.26Å; L486-F490 WeakPolarHBondContact O-CD1 3.17Å; L486-F490 PolarHBondContact O-N 3.31Å; L486-P496 HydrophobicContact CD2-CG 3.33Å; L486-V499 HydrophobicContact CD1-CG1 4.3Å; L486-V499 HydrophobicContact CD2-CB 4.28Å; L486-V499 HydrophobicContact CD2-CG1 3.81Å; L486-V499 HydrophobicContact CG-CG1 4.2Å; L486-L500 HydrophobicContact CD1-CD2 4Å; L486-L500 HydrophobicContact CD2-CD2 4.22Å; L486-V503 HydrophobicContact CD1-CB 3.97Å; L486-V503 HydrophobicContact CD1-CG1 3.89Å; L486-V503 HydrophobicContact CD1-CG2 3.73Å; L486-L528 HydrophobicContact CB-CD1 3.9Å; L486-L528 HydrophobicContact CB-CD2 4.12Å; L486-L528 HydrophobicContact CD1-CD1 4.03Å
487	M	94.6	Very high	94	Very high	11 Å²	11	18.8 Å²	18.8	5%	0.054	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-33.8	175.7	-171.6	55	59	0	0	112.3	V483 I485 Q491 L527 L528 M817	V483-M487 WeakPolarHBondContact O-CB 3.42Å; V483-M487 PolarHBondContact O-N 3.01Å; I485-M487 VanDerWaalsContact C-N 3.31Å; I485-M487 PolarHBondContact O-N 3.49Å; M487-Q491 VanDerWaalsContact O-CG 3.24Å; M487-Q491 WeakPolarHBondContact O-CG 3.27Å; M487-Q491 PolarHBondContact O-N 2.78Å; M487-Q491 VanDerWaalsContact O-N 3.1Å; M487-L527 HydrophobicContact CE-CB 4.12Å; M487-L527 HydrophobicContact CE-CD2 3.7Å; M487-L527 HydrophobicContact CE-CG 4.04Å; M487-L527 HydrophobicContact SD-CD2 3.67Å; M487-L527 HydrophobicContact SD-CG 4.48Å; M487-L528 HydrophobicContact CE-CD2 3.86Å; M487-L528 HydrophobicContact CE-CG 3.89Å; M487-M817 HydrophobicContact SD-CE 4.34Å; M487-M817 HydrophobicContact SD-SD 4.36Å
488	S	96.9	Very high	94.2	Very high	8 Å²	8	16.8 Å²	16.8	6%	0.056	10%	0.101	C	C	.	.	H	α-helix	trans	-73.5	-40.1	174.7	-63.1	0	0	0	0	112.6	S451 N484 I485 L486 Q491 L492	S451-S488 WeakPolarHBondContact CB-O 3.38Å; S451-S488 VanDerWaalsContact OG-CB 3.25Å; S451-S488 WeakPolarHBondContact OG-CB 3.46Å; S451-S488 PolarHBondContact OG-OG 3.15Å; N484-S488 PolarHBondContact O-N 2.93Å; N484-S488 VanDerWaalsContact O-N 3.16Å; N484-S488 PolarHBondContact O-OG 3.48Å; I485-S488 WeakPolarHBondContact O-CA 3.3Å; I485-S488 VanDerWaalsContact O-CB 3.32Å; I485-S488 WeakPolarHBondContact O-CB 3.49Å; I485-S488 PolarHBondContact O-N 3.29Å; L486-S488 PolarHBondContact O-N 3.48Å; S488-Q491 PolarHBondContact O-N 3.14Å; S488-L492 WeakPolarHBondContact O-CG 3.3Å; S488-L492 PolarHBondContact O-N 3.43Å; S488-L492 VanDerWaalsContact O-N 3.09Å
489	L	96.9	Very high	94.5	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-40.2	175.6	-62.1	-175.6	0	0	0	112	V447 F464 L467 I485 L486 L492 G493 H494 P496	V447-L489 HydrophobicContact CG1-CD2 4.41Å; F464-L489 HydrophobicContact CD1-CD2 3.97Å; F464-L489 HydrophobicContact CE1-CD2 3.74Å; L467-L489 HydrophobicContact CD2-CD2 3.73Å; I485-L489 HydrophobicContact CG2-CD1 4.4Å; I485-L489 HydrophobicContact CG2-CG 4.44Å; I485-L489 WeakPolarHBondContact O-CG 3.16Å; I485-L489 PolarHBondContact O-N 3.21Å; L486-L489 PolarHBondContact O-N 3.11Å; L486-L489 VanDerWaalsContact O-N 3.11Å; L489-L492 CarbonylContact O-C 3.59Å; L489-L492 WeakPolarHBondContact O-CA 3.22Å; L489-L492 WeakPolarHBondContact O-CB 3.49Å; L489-L492 PolarHBondContact O-N 3.33Å; L489-L492 VanDerWaalsContact O-N 3.09Å; L489-G493 PolarHBondContact O-N 2.89Å; L489-H494 CarbonylContact C-O 3.55Å; L489-H494 VanDerWaalsContact C-O 3.27Å; L489-H494 PolarHBondContact O-N 2.83Å; L489-P496 HydrophobicContact CD1-CG 3.89Å
490	F	95.9	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-39.1	175.9	-82.3	42.7	0	0	0	111.3	L486 L492 G493 F495 L500 L528 A531 V532 M817 R820	L486-F490 WeakPolarHBondContact O-CB 3.49Å; L486-F490 VanDerWaalsContact O-CD1 3.26Å; L486-F490 WeakPolarHBondContact O-CD1 3.17Å; L486-F490 PolarHBondContact O-N 3.31Å; F490-L492 VanDerWaalsContact C-N 3.25Å; F490-L492 PolarHBondContact O-N 2.83Å; F490-G493 WeakPolarHBondContact O-CA 3.22Å; F490-G493 PolarHBondContact O-N 3.32Å; F490-F495 AromaticContact CD1-CD1 3.86Å; F490-F495 HydrophobicContact CD1-CD1 3.86Å; F490-F495 HydrophobicContact CD1-CE1 4.34Å; F490-F495 HydrophobicContact CD2-CD1 4.13Å; F490-F495 HydrophobicContact CD2-CE1 4.13Å; F490-F495 HydrophobicContact CE1-CB 4.43Å; F490-F495 AromaticContact CE1-CD1 3.75Å; F490-F495 HydrophobicContact CE1-CD1 3.75Å; F490-F495 HydrophobicContact CE2-CD1 4.01Å; F490-F495 HydrophobicContact CE2-CE1 4.37Å; F490-F495 HydrophobicContact CG-CD1 4.05Å; F490-F495 HydrophobicContact CG-CE1 4.11Å; F490-F495 AromaticContact CZ-CD1 3.82Å; F490-F495 HydrophobicContact CZ-CD1 3.82Å; F490-L500 HydrophobicContact CE1-CD1 4.14Å; F490-L500 HydrophobicContact CE1-CD2 3.86Å; F490-L500 HydrophobicContact CE1-CG 4.46Å; F490-L500 HydrophobicContact CZ-CD1 3.91Å; F490-L500 HydrophobicContact CZ-CD2 3.58Å; F490-L500 HydrophobicContact CZ-CG 4.36Å; F490-L528 HydrophobicContact CB-CD2 4.27Å; F490-L528 HydrophobicContact CD1-CD2 4.04Å; F490-L528 HydrophobicContact CD2-CD2 3.4Å; F490-L528 VanDerWaalsContact CD2-CD2 3.4Å; F490-L528 HydrophobicContact CE1-CD2 4.21Å; F490-L528 HydrophobicContact CE2-CB 4.25Å; F490-L528 HydrophobicContact CE2-CD2 3.63Å; F490-L528 WeakPolarHBondContact CE2-O 3.44Å; F490-L528 HydrophobicContact CG-CD2 3.64Å; F490-L528 HydrophobicContact CZ-CD2 4.03Å; F490-A531 HydrophobicContact CD2-CB 3.44Å; F490-A531 VanDerWaalsContact CD2-CB 3.44Å; F490-A531 HydrophobicContact CE2-CB 3.68Å; F490-V532 HydrophobicContact CE2-CG2 3.85Å; F490-V532 HydrophobicContact CZ-CG2 3.72Å; F490-M817 HydrophobicContact CB-CE 4.05Å; F490-R820 PolarHBondContact O-NH2 2.97Å
491	Q	95.4	Very high	94.9	Very high	26 Å²	26	16.7 Å²	16.7	12%	0.121	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-36.6	170.9	-76	173.1	30.7	0	0	112.2	M487 S488 G493 M817 R820	M487-Q491 VanDerWaalsContact O-CG 3.24Å; M487-Q491 WeakPolarHBondContact O-CG 3.27Å; M487-Q491 PolarHBondContact O-N 2.78Å; M487-Q491 VanDerWaalsContact O-N 3.1Å; S488-Q491 PolarHBondContact O-N 3.14Å; Q491-G493 VanDerWaalsContact C-N 3.26Å; Q491-G493 PolarHBondContact O-N 2.96Å; Q491-M817 HydrophobicContact CB-SD 4.47Å; Q491-M817 HydrophobicContact CG-CB 4.11Å; Q491-M817 HydrophobicContact CG-CG 4.46Å; Q491-M817 HydrophobicContact CG-SD 3.53Å; Q491-M817 VanDerWaalsContact CG-SD 3.53Å; Q491-R820 PolarHBondContact O-NH1 3.36Å
492	L	95.7	Very high	94.9	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.047	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.5	171.5	-66.4	170	0	0	0	114.4	F450 Y455 R456 F464 S488 L489 F490	F450-L492 HydrophobicContact CB-CD1 3.8Å; F450-L492 HydrophobicContact CB-CD2 4.31Å; F450-L492 WeakPolarHBondContact O-CD2 3.28Å; Y455-L492 WeakPolarHBondContact O-CD2 3.47Å; R456-L492 HydrophobicContact CG-CD2 4.19Å; R456-L492 VanDerWaalsContact CZ-O 3.27Å; R456-L492 PolarHBondContact NE-O 3.12Å; R456-L492 PolarHBondContact NH2-O 2.72Å; F464-L492 HydrophobicContact CE1-CD1 4.13Å; F464-L492 HydrophobicContact CZ-CB 4.39Å; F464-L492 HydrophobicContact CZ-CD1 4.26Å; S488-L492 WeakPolarHBondContact O-CG 3.3Å; S488-L492 PolarHBondContact O-N 3.43Å; S488-L492 VanDerWaalsContact O-N 3.09Å; L489-L492 CarbonylContact O-C 3.59Å; L489-L492 WeakPolarHBondContact O-CA 3.22Å; L489-L492 WeakPolarHBondContact O-CB 3.49Å; L489-L492 PolarHBondContact O-N 3.33Å; L489-L492 VanDerWaalsContact O-N 3.09Å; F490-L492 VanDerWaalsContact C-N 3.25Å; F490-L492 PolarHBondContact O-N 2.83Å
493	G	94.5	Very high	94.9	Very high	20 Å²	20	20.9 Å²	20.9	21%	0.206	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	43.1	-178.5	0	0	0	0	0	113.4	R456 L489 F490 Q491	R456-G493 PolarHBondContact NH2-O 3.28Å; L489-G493 PolarHBondContact O-N 2.89Å; F490-G493 WeakPolarHBondContact O-CA 3.22Å; F490-G493 PolarHBondContact O-N 3.32Å; Q491-G493 VanDerWaalsContact C-N 3.26Å; Q491-G493 PolarHBondContact O-N 2.96Å
494	H	95.8	Very high	94.9	Very high	35 Å²	35	21.1 Å²	21.1	16%	0.162	11%	0.111	C	C	.	.			trans	-134.1	135.9	176.2	164.5	60.5	0	0	0	110.3	F464 E468 L489	F464-H494 AromaticContact CD1-CD2 3.32Å; F464-H494 WeakPolarHBondContact CD1-CD2 3.4Å; F464-H494 AromaticContact CD1-NE2 3.76Å; F464-H494 HydrophobicContact CD2-CB 4.47Å; F464-H494 HydrophobicContact CE1-CB 4.31Å; F464-H494 AromaticContact CE1-CD2 3.68Å; F464-H494 HydrophobicContact CE2-CB 4.07Å; F464-H494 AromaticContact CG-CD2 3.52Å; F464-H494 AromaticContact CG-NE2 3.65Å; F464-H494 HydrophobicContact CZ-CB 4Å; E468-H494 IonicContact OE1-CE1 3.5Å; E468-H494 PolarHBondContact OE1-CE1 3.08Å; E468-H494 IonicContact OE1-NE2 3.32Å; E468-H494 PolarHBondContact OE1-NE2 2.81Å; L489-H494 CarbonylContact C-O 3.55Å; L489-H494 VanDerWaalsContact C-O 3.27Å; L489-H494 PolarHBondContact O-N 2.83Å
495	F	95.3	Very high	94.9	Very high	38 Å²	38	22 Å²	22	17%	0.167	12%	0.119	C	C	.	.			trans	-129.5	92.7	-161.8	-47.8	-79.2	0	0	0	111.2	F490 G497 L500 E535 Y536	F490-F495 AromaticContact CD1-CD1 3.86Å; F490-F495 HydrophobicContact CD1-CD1 3.86Å; F490-F495 HydrophobicContact CD1-CE1 4.34Å; F490-F495 HydrophobicContact CD2-CD1 4.13Å; F490-F495 HydrophobicContact CD2-CE1 4.13Å; F490-F495 HydrophobicContact CE1-CB 4.43Å; F490-F495 AromaticContact CE1-CD1 3.75Å; F490-F495 HydrophobicContact CE1-CD1 3.75Å; F490-F495 HydrophobicContact CE2-CD1 4.01Å; F490-F495 HydrophobicContact CE2-CE1 4.37Å; F490-F495 HydrophobicContact CG-CD1 4.05Å; F490-F495 HydrophobicContact CG-CE1 4.11Å; F490-F495 AromaticContact CZ-CD1 3.82Å; F490-F495 HydrophobicContact CZ-CD1 3.82Å; F495-G497 PolarHBondContact O-N 2.93Å; F495-G497 VanDerWaalsContact O-N 3.11Å; F495-L500 HydrophobicContact CB-CD1 4.44Å; F495-E535 HydrophobicContact CE1-CB 3.84Å; F495-E535 HydrophobicContact CE2-CB 4.15Å; F495-E535 HydrophobicContact CZ-CB 3.42Å; F495-E535 VanDerWaalsContact CZ-CB 3.42Å; F495-E535 HydrophobicContact CZ-CG 4.3Å; F495-E535 WeakPolarHBondContact CZ-OE2 3.4Å; F495-Y536 HydrophobicContact CB-CD1 3.45Å; F495-Y536 VanDerWaalsContact CB-CD1 3.45Å; F495-Y536 HydrophobicContact CB-CE1 3.96Å; F495-Y536 HydrophobicContact CB-CG 3.88Å; F495-Y536 HydrophobicContact CD2-CG 4.46Å; F495-Y536 HydrophobicContact CG-CD1 4.18Å; F495-Y536 HydrophobicContact CG-CG 4.18Å
496	P	94.5	Very high	94.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.153	C	C	.	.			trans	-79.3	97	-171	32.7	-40.4	0	0	0	112.8	E468 L486 L489 T498 V499 L500	E468-P496 HydrophobicContact CG-CB 3.64Å; E468-P496 WeakPolarHBondContact OE1-CA 3.38Å; E468-P496 WeakPolarHBondContact OE1-CB 3.26Å; L486-P496 HydrophobicContact CD2-CG 3.33Å; L489-P496 HydrophobicContact CD1-CG 3.89Å; P496-T498 PolarHBondContact O-N 3.45Å; P496-V499 HydrophobicContact CB-CB 4.1Å; P496-V499 HydrophobicContact CB-CG2 4Å; P496-V499 HydrophobicContact CG-CB 4.03Å; P496-V499 HydrophobicContact CG-CG2 4.33Å; P496-V499 PolarHBondContact O-N 2.98Å; P496-L500 WeakPolarHBondContact O-CG 3.46Å; P496-L500 PolarHBondContact O-N 2.79Å
497	G	93.1	Very high	94.2	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	18%	0.177	C	C	.	.	H	α-helix	trans	-52.7	-47.5	-170.3	0	0	0	0	0	115.1	F495 V499 L500 H501	F495-G497 PolarHBondContact O-N 2.93Å; F495-G497 VanDerWaalsContact O-N 3.11Å; G497-V499 PolarHBondContact O-N 2.68Å; G497-L500 PolarHBondContact O-N 3.06Å; G497-H501 PolarHBondContact O-CD2 3.45Å; G497-H501 PolarHBondContact O-N 3.28Å
498	T	91.4	Very high	94.1	Very high	70 Å²	70	29.3 Å²	29.3	43%	0.429	17%	0.174	S	C	.	.	H	α-helix	trans	-68.1	-37.6	-178.3	65	0	0	0	0	112.5	E472 P496 L500 H501 R502	E472-T498 WeakPolarHBondContact OE2-CB 3.44Å; E472-T498 PolarHBondContact OE2-OG1 2.8Å; P496-T498 PolarHBondContact O-N 3.45Å; T498-L500 VanDerWaalsContact C-N 3.34Å; T498-H501 PolarHBondContact O-N 3.18Å; T498-R502 VanDerWaalsContact O-CG 3.28Å; T498-R502 WeakPolarHBondContact O-CG 3.24Å; T498-R502 PolarHBondContact O-N 3.37Å; T498-R502 VanDerWaalsContact O-N 3.14Å
499	V	94.4	Very high	93.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-38.8	174.5	-173.7	0	0	0	0	110.5	V471 E472 T482 L486 P496 G497 R502 V503	V471-V499 HydrophobicContact CG1-CG1 3.79Å; V471-V499 HydrophobicContact CG1-CG2 4.44Å; E472-V499 HydrophobicContact CB-CG2 3.94Å; E472-V499 HydrophobicContact CG-CG2 4.24Å; T482-V499 HydrophobicContact CG2-CG1 4.34Å; L486-V499 HydrophobicContact CD1-CG1 4.3Å; L486-V499 HydrophobicContact CD2-CB 4.28Å; L486-V499 HydrophobicContact CD2-CG1 3.81Å; L486-V499 HydrophobicContact CG-CG1 4.2Å; P496-V499 HydrophobicContact CB-CB 4.1Å; P496-V499 HydrophobicContact CB-CG2 4Å; P496-V499 HydrophobicContact CG-CB 4.03Å; P496-V499 HydrophobicContact CG-CG2 4.33Å; P496-V499 PolarHBondContact O-N 2.98Å; G497-V499 PolarHBondContact O-N 2.68Å; V499-R502 WeakPolarHBondContact O-CB 3.39Å; V499-R502 PolarHBondContact O-N 3.1Å; V499-V503 HydrophobicContact CG1-CG2 4.34Å; V499-V503 WeakPolarHBondContact O-CB 3.47Å; V499-V503 WeakPolarHBondContact O-CG2 3.17Å; V499-V503 PolarHBondContact O-N 2.73Å
500	L	95.3	Very high	93.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-41.1	175.5	-67.5	168.2	0	0	0	111.9	L486 F490 F495 P496 G497 T498 R502 V503 F504 V532 Y536 Y539	L486-L500 HydrophobicContact CD1-CD2 4Å; L486-L500 HydrophobicContact CD2-CD2 4.22Å; F490-L500 HydrophobicContact CE1-CD1 4.14Å; F490-L500 HydrophobicContact CE1-CD2 3.86Å; F490-L500 HydrophobicContact CE1-CG 4.46Å; F490-L500 HydrophobicContact CZ-CD1 3.91Å; F490-L500 HydrophobicContact CZ-CD2 3.58Å; F490-L500 HydrophobicContact CZ-CG 4.36Å; F495-L500 HydrophobicContact CB-CD1 4.44Å; P496-L500 WeakPolarHBondContact O-CG 3.46Å; P496-L500 PolarHBondContact O-N 2.79Å; G497-L500 PolarHBondContact O-N 3.06Å; T498-L500 VanDerWaalsContact C-N 3.34Å; L500-R502 VanDerWaalsContact C-N 3.26Å; L500-R502 PolarHBondContact O-N 3.32Å; L500-V503 PolarHBondContact O-N 3.37Å; L500-F504 HydrophobicContact CB-CD2 4.42Å; L500-F504 HydrophobicContact CD2-CE2 3.93Å; L500-F504 WeakPolarHBondContact O-CD2 3.34Å; L500-F504 PolarHBondContact O-N 3.15Å; L500-V532 HydrophobicContact CD1-CG2 4.13Å; L500-V532 HydrophobicContact CD2-CG2 4.5Å; L500-Y536 HydrophobicContact CD1-CD1 4.29Å; L500-Y536 HydrophobicContact CD1-CE1 4.36Å; L500-Y539 HydrophobicContact CB-CE2 3.64Å; L500-Y539 HydrophobicContact CD1-CD2 4.4Å; L500-Y539 HydrophobicContact CD1-CE2 4.14Å
501	H	93.8	Very high	93.2	Very high	92 Å²	92	36.1 Å²	36.1	43%	0.426	22%	0.215	S	C	.	.	H	α-helix	trans	-57.8	-39.8	172.2	-76.8	-145.5	0	0	0	111.9	G497 T498 S505 Y539 G541	G497-H501 PolarHBondContact O-CD2 3.45Å; G497-H501 PolarHBondContact O-N 3.28Å; T498-H501 PolarHBondContact O-N 3.18Å; H501-S505 PolarHBondContact O-N 3.1Å; H501-Y539 AromaticContact CD2-CE2 3.64Å; H501-Y539 AromaticContact CD2-CZ 3.95Å; H501-Y539 AromaticContact NE2-CE2 3.94Å; H501-G541 WeakPolarHBondContact NE2-CA 3.3Å
502	R	93.1	Very high	92.8	Very high	89 Å²	89	35 Å²	35	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-67.9	-43.8	175.9	-60.8	-110.8	-168.1	154.5	5.1	111.7	E472 A475 T498 V499 L500 S505 F508	E472-R502 HydrophobicContact CG-CG 3.83Å; E472-R502 PolarHBondContact O-NH1 3.49Å; E472-R502 IonicContact OE1-CZ 2.76Å; E472-R502 IonicContact OE1-NE 3.48Å; E472-R502 PolarHBondContact OE1-NE 2.97Å; E472-R502 IonicContact OE1-NH2 3.73Å; E472-R502 PolarHBondContact OE1-NH2 3.01Å; A475-R502 HydrophobicContact CB-CB 4.24Å; T498-R502 VanDerWaalsContact O-CG 3.28Å; T498-R502 WeakPolarHBondContact O-CG 3.24Å; T498-R502 PolarHBondContact O-N 3.37Å; T498-R502 VanDerWaalsContact O-N 3.14Å; V499-R502 WeakPolarHBondContact O-CB 3.39Å; V499-R502 PolarHBondContact O-N 3.1Å; L500-R502 VanDerWaalsContact C-N 3.26Å; L500-R502 PolarHBondContact O-N 3.32Å; R502-S505 VanDerWaalsContact O-CB 3.3Å; R502-S505 WeakPolarHBondContact O-CB 3.36Å; R502-S505 PolarHBondContact O-N 2.81Å; R502-S505 PolarHBondContact O-OG 3.48Å; R502-F508 WeakPolarHBondContact O-CB 3.36Å
503	V	94.6	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.6	-33.8	-173	167.8	0	0	0	0	113.5	T482 V483 L486 V499 L500 S505 F508 L525	T482-V503 HydrophobicContact CG2-CG2 3.7Å; V483-V503 HydrophobicContact CG2-CG1 4.04Å; L486-V503 HydrophobicContact CD1-CB 3.97Å; L486-V503 HydrophobicContact CD1-CG1 3.89Å; L486-V503 HydrophobicContact CD1-CG2 3.73Å; V499-V503 HydrophobicContact CG1-CG2 4.34Å; V499-V503 WeakPolarHBondContact O-CB 3.47Å; V499-V503 WeakPolarHBondContact O-CG2 3.17Å; V499-V503 PolarHBondContact O-N 2.73Å; L500-V503 PolarHBondContact O-N 3.37Å; V503-S505 VanDerWaalsContact C-N 3.29Å; V503-F508 HydrophobicContact CB-CD1 4.44Å; V503-F508 HydrophobicContact CB-CE1 4.4Å; V503-F508 HydrophobicContact CB-CZ 4.47Å; V503-F508 HydrophobicContact CG1-CD1 4.12Å; V503-F508 HydrophobicContact CG1-CE1 3.8Å; V503-F508 HydrophobicContact CG1-CZ 4.11Å; V503-F508 HydrophobicContact CG2-CD2 4.16Å; V503-F508 HydrophobicContact CG2-CE1 4.4Å; V503-F508 HydrophobicContact CG2-CE2 3.84Å; V503-F508 HydrophobicContact CG2-CZ 3.97Å; V503-F508 WeakPolarHBondContact O-CD1 3.3Å; V503-F508 WeakPolarHBondContact O-CG 3.32Å; V503-L525 HydrophobicContact CG1-CD2 3.44Å; V503-L525 VanDerWaalsContact CG1-CD2 3.44Å
504	F	94.5	Very high	91.7	Very high	6 Å²	6	42 Å²	42	3%	0.026	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.2	171.5	-64.9	-60.4	0	0	0	113.6	L500 L525 L528 D529 V532 P542 L544	L500-F504 HydrophobicContact CB-CD2 4.42Å; L500-F504 HydrophobicContact CD2-CE2 3.93Å; L500-F504 WeakPolarHBondContact O-CD2 3.34Å; L500-F504 PolarHBondContact O-N 3.15Å; F504-L525 HydrophobicContact CD1-CD2 4.46Å; F504-L525 HydrophobicContact CE1-CD2 4.19Å; F504-L528 HydrophobicContact CZ-CB 4.04Å; F504-D529 HydrophobicContact CE1-CB 4.06Å; F504-D529 HydrophobicContact CZ-CB 4.07Å; F504-V532 HydrophobicContact CE2-CG2 4.41Å; F504-P542 HydrophobicContact CB-CB 4.11Å; F504-P542 HydrophobicContact CB-CG 4.08Å; F504-P542 WeakPolarHBondContact CB-O 3.48Å; F504-P542 WeakPolarHBondContact CD2-O 3.21Å; F504-P542 WeakPolarHBondContact CG-O 3.49Å; F504-L544 HydrophobicContact CD1-CB 4.12Å; F504-L544 HydrophobicContact CE1-CB 4.03Å
505	S	93.1	Very high	91.1	Very high	33 Å²	33	42 Å²	42	23%	0.231	25%	0.248	C	C	.	.	S	Bend	trans	-67.8	147.5	172.4	74.4	0	0	0	0	111.9	H501 R502 V503 A507 F508 I509	H501-S505 PolarHBondContact O-N 3.1Å; R502-S505 VanDerWaalsContact O-CB 3.3Å; R502-S505 WeakPolarHBondContact O-CB 3.36Å; R502-S505 PolarHBondContact O-N 2.81Å; R502-S505 PolarHBondContact O-OG 3.48Å; V503-S505 VanDerWaalsContact C-N 3.29Å; S505-A507 PolarHBondContact O-N 2.85Å; S505-F508 PolarHBondContact O-N 3.27Å; S505-F508 VanDerWaalsContact O-N 3.11Å; S505-F508 WeakPolarHBondContact OG-CB 3.48Å; S505-F508 PolarHBondContact OG-N 3.23Å; S505-I509 WeakPolarHBondContact O-CG1 3.36Å; S505-I509 PolarHBondContact O-N 3.5Å
506	S	89.9	Confident	90.5	Very high	105 Å²	105	46 Å²	46	73%	0.734	28%	0.278	S	S	*	.	H	α-helix	trans	-57.5	-33.6	174.9	53	0	0	0	0	112.8	S510	S506-S510 WeakPolarHBondContact O-CB 3.24Å; S506-S510 PolarHBondContact O-N 3.18Å
507	A	90.6	Very high	89.9	Confident	60 Å²	60	50.7 Å²	50.7	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-43.2	175.2	0	0	0	0	0	112.5	S505 N511	S505-A507 PolarHBondContact O-N 2.85Å; A507-N511 VanDerWaalsContact O-CB 3.31Å; A507-N511 WeakPolarHBondContact O-CB 3.44Å; A507-N511 PolarHBondContact O-N 2.98Å; A507-N511 VanDerWaalsContact O-N 3.13Å
508	F	92.4	Very high	89.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-45.6	176.3	-174	-79.7	0	0	0	111.5	A475 L476 P479 T482 V483 R502 V503 S505 S510 N511 V512 L525	A475-F508 WeakPolarHBondContact O-CE2 3.31Å; L476-F508 HydrophobicContact CD2-CB 4.07Å; L476-F508 HydrophobicContact CD2-CD2 4.07Å; P479-F508 HydrophobicContact CB-CE1 4.22Å; P479-F508 HydrophobicContact CB-CE2 3.73Å; P479-F508 HydrophobicContact CB-CZ 3.52Å; P479-F508 HydrophobicContact CG-CE2 4.25Å; P479-F508 HydrophobicContact CG-CZ 4.48Å; T482-F508 HydrophobicContact CG2-CE2 4.43Å; V483-F508 HydrophobicContact CG2-CE1 3.89Å; V483-F508 HydrophobicContact CG2-CZ 3.7Å; R502-F508 WeakPolarHBondContact O-CB 3.36Å; V503-F508 HydrophobicContact CB-CD1 4.44Å; V503-F508 HydrophobicContact CB-CE1 4.4Å; V503-F508 HydrophobicContact CB-CZ 4.47Å; V503-F508 HydrophobicContact CG1-CD1 4.12Å; V503-F508 HydrophobicContact CG1-CE1 3.8Å; V503-F508 HydrophobicContact CG1-CZ 4.11Å; V503-F508 HydrophobicContact CG2-CD2 4.16Å; V503-F508 HydrophobicContact CG2-CE1 4.4Å; V503-F508 HydrophobicContact CG2-CE2 3.84Å; V503-F508 HydrophobicContact CG2-CZ 3.97Å; V503-F508 WeakPolarHBondContact O-CD1 3.3Å; V503-F508 WeakPolarHBondContact O-CG 3.32Å; S505-F508 PolarHBondContact O-N 3.27Å; S505-F508 VanDerWaalsContact O-N 3.11Å; S505-F508 WeakPolarHBondContact OG-CB 3.48Å; S505-F508 PolarHBondContact OG-N 3.23Å; F508-S510 PolarHBondContact O-N 3.1Å; F508-N511 PolarHBondContact O-N 3.32Å; F508-V512 HydrophobicContact CD1-CG2 3.96Å; F508-V512 HydrophobicContact CE1-CG2 3.6Å; F508-V512 HydrophobicContact CZ-CG2 4.17Å; F508-V512 WeakPolarHBondContact O-CB 3.1Å; F508-V512 WeakPolarHBondContact O-CG2 3.33Å; F508-V512 PolarHBondContact O-N 3.11Å; F508-L525 HydrophobicContact CE1-CD2 4.41Å
509	I	91.5	Very high	89.3	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-47.7	179	-65.3	167.5	0	0	0	110.1	S505 N511 V512 T513 L544	S505-I509 WeakPolarHBondContact O-CG1 3.36Å; S505-I509 PolarHBondContact O-N 3.5Å; I509-N511 PolarHBondContact O-N 3.4Å; I509-V512 WeakPolarHBondContact O-CB 3.47Å; I509-V512 PolarHBondContact O-N 2.81Å; I509-V512 VanDerWaalsContact O-N 3.14Å; I509-T513 HydrophobicContact CG2-CG2 4.13Å; I509-T513 WeakPolarHBondContact O-CG2 3.38Å; I509-T513 PolarHBondContact O-N 3.21Å; I509-T513 PolarHBondContact O-OG1 3.4Å; I509-L544 HydrophobicContact CD1-CD1 3.98Å
510	S	88.8	Confident	88.7	Confident	64 Å²	64	52.3 Å²	52.3	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-42	178.9	-176.6	0	0	0	0	113.2	S506 F508 V512 T513 N514	S506-S510 WeakPolarHBondContact O-CB 3.24Å; S506-S510 PolarHBondContact O-N 3.18Å; F508-S510 PolarHBondContact O-N 3.1Å; S510-V512 VanDerWaalsContact C-N 3.3Å; S510-V512 PolarHBondContact O-N 3.32Å; S510-T513 WeakPolarHBondContact CA-OG1 3.41Å; S510-T513 PolarHBondContact O-N 3.49Å; S510-T513 PolarHBondContact O-OG1 3.42Å; S510-N514 PolarHBondContact O-N 3.46Å; S510-N514 PolarHBondContact O-ND2 2.89Å
511	N	88.8	Confident	88.3	Confident	76 Å²	76	52.3 Å²	52.3	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-43.4	173	-179	3.5	0	0	0	111.2	L476 A507 F508 I509	L476-N511 PolarHBondContact O-ND2 2.89Å; A507-N511 VanDerWaalsContact O-CB 3.31Å; A507-N511 WeakPolarHBondContact O-CB 3.44Å; A507-N511 PolarHBondContact O-N 2.98Å; A507-N511 VanDerWaalsContact O-N 3.13Å; F508-N511 PolarHBondContact O-N 3.32Å; I509-N511 PolarHBondContact O-N 3.4Å
512	V	88.1	Confident	88.1	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-70	-45.2	178.9	164.1	0	0	0	0	113.5	P479 F508 I509 S510 N514 S515 A518 V521	P479-V512 HydrophobicContact CB-CG2 3.52Å; P479-V512 HydrophobicContact CG-CG2 4.33Å; F508-V512 HydrophobicContact CD1-CG2 3.96Å; F508-V512 HydrophobicContact CE1-CG2 3.6Å; F508-V512 HydrophobicContact CZ-CG2 4.17Å; F508-V512 WeakPolarHBondContact O-CB 3.1Å; F508-V512 WeakPolarHBondContact O-CG2 3.33Å; F508-V512 PolarHBondContact O-N 3.11Å; I509-V512 WeakPolarHBondContact O-CB 3.47Å; I509-V512 PolarHBondContact O-N 2.81Å; I509-V512 VanDerWaalsContact O-N 3.14Å; S510-V512 VanDerWaalsContact C-N 3.3Å; S510-V512 PolarHBondContact O-N 3.32Å; V512-N514 PolarHBondContact O-N 3.49Å; V512-S515 WeakPolarHBondContact O-CB 3.38Å; V512-S515 PolarHBondContact O-N 3.49Å; V512-S515 PolarHBondContact O-OG 3.41Å; V512-A518 WeakPolarHBondContact O-CB 3.12Å; V512-V521 HydrophobicContact CB-CG1 4.37Å; V512-V521 HydrophobicContact CG1-CB 3.52Å; V512-V521 HydrophobicContact CG1-CG1 3.46Å; V512-V521 VanDerWaalsContact CG1-CG1 3.46Å; V512-V521 HydrophobicContact CG1-CG2 4.3Å; V512-V521 HydrophobicContact CG2-CG1 3.97Å
513	T	83.9	Confident	87.8	Confident	42 Å²	42	49 Å²	49	26%	0.258	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-25.1	-173.9	47.3	0	0	0	0	113.2	I509 S510 S515 A518	I509-T513 HydrophobicContact CG2-CG2 4.13Å; I509-T513 WeakPolarHBondContact O-CG2 3.38Å; I509-T513 PolarHBondContact O-N 3.21Å; I509-T513 PolarHBondContact O-OG1 3.4Å; S510-T513 WeakPolarHBondContact CA-OG1 3.41Å; S510-T513 PolarHBondContact O-N 3.49Å; S510-T513 PolarHBondContact O-OG1 3.42Å; T513-S515 VanDerWaalsContact C-N 3.34Å; T513-A518 WeakPolarHBondContact O-CB 3.44Å
514	N	82.6	Confident	87.6	Confident	134 Å²	134	49.6 Å²	49.6	72%	0.717	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	6.7	176	-65.2	-65.1	0	0	0	113.3	S510 V512	S510-N514 PolarHBondContact O-N 3.46Å; S510-N514 PolarHBondContact O-ND2 2.89Å; V512-N514 PolarHBondContact O-N 3.49Å
515	S	83.8	Confident	87.6	Confident	34 Å²	34	49.4 Å²	49.4	24%	0.238	29%	0.285	C	S	.	.	S	Bend	trans	-99.6	155	-178.7	81.1	0	0	0	0	112.5	V512 T513 Y517 A518	V512-S515 WeakPolarHBondContact O-CB 3.38Å; V512-S515 PolarHBondContact O-N 3.49Å; V512-S515 PolarHBondContact O-OG 3.41Å; T513-S515 VanDerWaalsContact C-N 3.34Å; S515-Y517 PolarHBondContact O-N 3.3Å; S515-Y517 PolarHBondContact OG-N 2.77Å; S515-A518 VanDerWaalsContact O-CB 3.28Å; S515-A518 WeakPolarHBondContact O-CB 3.25Å; S515-A518 PolarHBondContact O-N 2.99Å; S515-A518 PolarHBondContact OG-N 3.33Å
516	P	82.5	Confident	87.5	Confident	124 Å²	124	48.3 Å²	48.3	81%	0.805	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.6	173.4	27.6	-36.1	0	0	0	114
517	Y	82.1	Confident	87.5	Confident	98 Å²	98	43.6 Å²	43.6	38%	0.384	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.5	175.4	-53.4	-74.6	0	0	0	112.8	L480 S515 L519 I520 V521	L480-Y517 HydrophobicContact CD2-CD1 3.87Å; L480-Y517 HydrophobicContact CD2-CD2 4.32Å; L480-Y517 HydrophobicContact CD2-CE1 4.2Å; L480-Y517 HydrophobicContact CD2-CG 3.94Å; S515-Y517 PolarHBondContact O-N 3.3Å; S515-Y517 PolarHBondContact OG-N 2.77Å; Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 3.14Å; Y517-L519 VanDerWaalsContact O-N 3.17Å; Y517-I520 HydrophobicContact CD1-CG2 4.47Å; Y517-I520 WeakPolarHBondContact O-CG2 3.4Å; Y517-I520 PolarHBondContact O-N 2.97Å; Y517-V521 WeakPolarHBondContact O-CG2 3.33Å; Y517-V521 PolarHBondContact O-N 3.41Å
518	A	86.1	Confident	87.7	Confident	19 Å²	19	40.8 Å²	40.8	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-50.6	-43.4	-174	0	0	0	0	0	113.8	V512 T513 S515 R522	V512-A518 WeakPolarHBondContact O-CB 3.12Å; T513-A518 WeakPolarHBondContact O-CB 3.44Å; S515-A518 VanDerWaalsContact O-CB 3.28Å; S515-A518 WeakPolarHBondContact O-CB 3.25Å; S515-A518 PolarHBondContact O-N 2.99Å; S515-A518 PolarHBondContact OG-N 3.33Å; A518-R522 VanDerWaalsContact O-CB 3.31Å; A518-R522 WeakPolarHBondContact O-CB 3.4Å; A518-R522 VanDerWaalsContact O-CG 3.26Å; A518-R522 WeakPolarHBondContact O-CG 3.4Å; A518-R522 PolarHBondContact O-N 2.93Å
519	L	84.7	Confident	87.8	Confident	73 Å²	73	41 Å²	41	38%	0.382	22%	0.222	S	C	.	.	H	α-helix	trans	-67.4	-48.2	-179.2	-178.9	58.6	0	0	0	112.8	Y517 V521 R522 R523 I746	Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 3.14Å; Y517-L519 VanDerWaalsContact O-N 3.17Å; L519-V521 VanDerWaalsContact C-N 3.34Å; L519-V521 PolarHBondContact O-N 2.87Å; L519-R522 PolarHBondContact O-N 2.94Å; L519-R523 WeakPolarHBondContact O-CG 3.25Å; L519-R523 PolarHBondContact O-N 3.48Å; L519-I746 HydrophobicContact CD2-CD1 4.3Å
520	I	83.6	Confident	87.8	Confident	32 Å²	32	41.2 Å²	41.2	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-35.5	-179.8	-175.8	59.9	0	0	0	111.5	Y517 R523 Y524	Y517-I520 HydrophobicContact CD1-CG2 4.47Å; Y517-I520 WeakPolarHBondContact O-CG2 3.4Å; Y517-I520 PolarHBondContact O-N 2.97Å; I520-R523 PolarHBondContact O-N 2.85Å; I520-Y524 HydrophobicContact CD1-CD1 4.31Å; I520-Y524 HydrophobicContact CD1-CE1 3.8Å; I520-Y524 HydrophobicContact CD1-CE2 4.36Å; I520-Y524 HydrophobicContact CG1-CE1 4.44Å; I520-Y524 HydrophobicContact CG1-CE2 4.12Å; I520-Y524 PolarHBondContact O-N 2.9Å
521	V	87	Confident	88.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-74.5	-36	175.8	-172.9	0	0	0	0	111.6	L480 V483 V512 Y517 L519 R523 Y524 L525	L480-V521 HydrophobicContact CB-CG2 4.36Å; L480-V521 HydrophobicContact CD1-CG2 3.66Å; V483-V521 HydrophobicContact CB-CG1 4.43Å; V483-V521 HydrophobicContact CG1-CG1 4.36Å; V483-V521 HydrophobicContact CG2-CG1 4.06Å; V512-V521 HydrophobicContact CB-CG1 4.37Å; V512-V521 HydrophobicContact CG1-CB 3.52Å; V512-V521 HydrophobicContact CG1-CG1 3.46Å; V512-V521 VanDerWaalsContact CG1-CG1 3.46Å; V512-V521 HydrophobicContact CG1-CG2 4.3Å; V512-V521 HydrophobicContact CG2-CG1 3.97Å; Y517-V521 WeakPolarHBondContact O-CG2 3.33Å; Y517-V521 PolarHBondContact O-N 3.41Å; L519-V521 VanDerWaalsContact C-N 3.34Å; L519-V521 PolarHBondContact O-N 2.87Å; V521-R523 VanDerWaalsContact C-N 3.33Å; V521-R523 PolarHBondContact O-N 2.91Å; V521-Y524 PolarHBondContact O-N 3.2Å; V521-L525 HydrophobicContact CG1-CD1 3.97Å; V521-L525 HydrophobicContact CG1-CG 4.06Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 VanDerWaalsContact O-CG 3.26Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 3.41Å
522	R	88.1	Confident	88.4	Confident	73 Å²	73	34.6 Å²	34.6	28%	0.275	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-41.9	170.4	-78.7	169.3	99.3	150	0.8	111.6	A518 L519 L525 S526 A547 V550	A518-R522 VanDerWaalsContact O-CB 3.31Å; A518-R522 WeakPolarHBondContact O-CB 3.4Å; A518-R522 VanDerWaalsContact O-CG 3.26Å; A518-R522 WeakPolarHBondContact O-CG 3.4Å; A518-R522 PolarHBondContact O-N 2.93Å; L519-R522 PolarHBondContact O-N 2.94Å; R522-L525 PolarHBondContact O-N 2.83Å; R522-S526 WeakPolarHBondContact O-CB 3.44Å; R522-S526 PolarHBondContact O-N 3.13Å; R522-S526 PolarHBondContact O-OG 3.45Å; R522-A547 PolarHBondContact NH2-O 2.95Å; R522-V550 HydrophobicContact CB-CG2 3.9Å
523	R	88.1	Confident	88.6	Confident	37 Å²	37	39.6 Å²	39.6	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-46.2	173.6	-73.1	167.2	178.7	-110.2	3.1	112.2	L519 I520 V521 S526 L527 V550 M552 D554	L519-R523 WeakPolarHBondContact O-CG 3.25Å; L519-R523 PolarHBondContact O-N 3.48Å; I520-R523 PolarHBondContact O-N 2.85Å; V521-R523 VanDerWaalsContact C-N 3.33Å; V521-R523 PolarHBondContact O-N 2.91Å; R523-S526 PolarHBondContact O-N 3.33Å; R523-L527 PolarHBondContact O-N 3.15Å; R523-L527 VanDerWaalsContact O-N 3.15Å; R523-V550 HydrophobicContact CB-CG2 4.3Å; R523-V550 HydrophobicContact CG-CG2 3.67Å; R523-M552 HydrophobicContact CB-CG 4.32Å; R523-M552 WeakPolarHBondContact CD-O 3.23Å; R523-M552 PolarHBondContact NH1-O 2.83Å; R523-D554 PolarHBondContact NH1-O 3.31Å; R523-D554 PolarHBondContact NH2-O 3Å
524	Y	90.5	Very high	89	Confident	13 Å²	13	38.9 Å²	38.9	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-43.2	176.6	-69.3	-13.4	0	0	0	113.1	V483 I520 V521 S526 L527 L528 M552	V483-Y524 HydrophobicContact CG1-CD2 3.85Å; V483-Y524 HydrophobicContact CG1-CG 4.12Å; I520-Y524 HydrophobicContact CD1-CD1 4.31Å; I520-Y524 HydrophobicContact CD1-CE1 3.8Å; I520-Y524 HydrophobicContact CD1-CE2 4.36Å; I520-Y524 HydrophobicContact CG1-CE1 4.44Å; I520-Y524 HydrophobicContact CG1-CE2 4.12Å; I520-Y524 PolarHBondContact O-N 2.9Å; V521-Y524 PolarHBondContact O-N 3.2Å; Y524-S526 VanDerWaalsContact C-N 3.26Å; Y524-S526 PolarHBondContact O-N 3.47Å; Y524-L527 PolarHBondContact O-N 2.95Å; Y524-L528 WeakPolarHBondContact O-CG 3.34Å; Y524-L528 PolarHBondContact O-N 2.74Å; Y524-M552 HydrophobicContact CD1-CE 3.97Å; Y524-M552 HydrophobicContact CE1-CE 3.85Å
525	L	92.6	Very high	89.6	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-36.9	175.4	-72.7	171	0	0	0	111.5	V483 V503 F504 F508 V521 R522 L528 D529 L544	V483-L525 HydrophobicContact CG2-CD2 4.14Å; V503-L525 HydrophobicContact CG1-CD2 3.44Å; V503-L525 VanDerWaalsContact CG1-CD2 3.44Å; F504-L525 HydrophobicContact CD1-CD2 4.46Å; F504-L525 HydrophobicContact CE1-CD2 4.19Å; F508-L525 HydrophobicContact CE1-CD2 4.41Å; V521-L525 HydrophobicContact CG1-CD1 3.97Å; V521-L525 HydrophobicContact CG1-CG 4.06Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 VanDerWaalsContact O-CG 3.26Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 3.41Å; R522-L525 PolarHBondContact O-N 2.83Å; L525-L528 PolarHBondContact O-N 3.45Å; L525-D529 VanDerWaalsContact O-CB 3.32Å; L525-D529 WeakPolarHBondContact O-CB 3.26Å; L525-D529 PolarHBondContact O-N 3.16Å; L525-L544 HydrophobicContact CB-CD1 4.38Å; L525-L544 HydrophobicContact CB-CD2 3.97Å
526	S	91.7	Very high	90	Very high	11 Å²	11	36 Å²	36	8%	0.077	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-40.2	177.1	-55.6	0	0	0	0	112.2	R522 R523 Y524 A530 K549 V550	R522-S526 WeakPolarHBondContact O-CB 3.44Å; R522-S526 PolarHBondContact O-N 3.13Å; R522-S526 PolarHBondContact O-OG 3.45Å; R523-S526 PolarHBondContact O-N 3.33Å; Y524-S526 VanDerWaalsContact C-N 3.26Å; Y524-S526 PolarHBondContact O-N 3.47Å; S526-A530 PolarHBondContact O-N 3.21Å; S526-K549 WeakPolarHBondContact OG-CA 3.09Å; S526-V550 WeakPolarHBondContact CB-O 3.37Å; S526-V550 PolarHBondContact OG-N 3Å; S526-V550 PolarHBondContact OG-O 3.02Å
527	L	90.9	Very high	90.3	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-43	171	176.7	61	0	0	0	111.5	M487 R523 Y524 D529 A530 A531 M552 P593 Y595 M817	M487-L527 HydrophobicContact CE-CB 4.12Å; M487-L527 HydrophobicContact CE-CD2 3.7Å; M487-L527 HydrophobicContact CE-CG 4.04Å; M487-L527 HydrophobicContact SD-CD2 3.67Å; M487-L527 HydrophobicContact SD-CG 4.48Å; R523-L527 PolarHBondContact O-N 3.15Å; R523-L527 VanDerWaalsContact O-N 3.15Å; Y524-L527 PolarHBondContact O-N 2.95Å; L527-D529 VanDerWaalsContact C-N 3.32Å; L527-D529 PolarHBondContact O-N 2.67Å; L527-A530 PolarHBondContact O-N 3.23Å; L527-A531 WeakPolarHBondContact O-CB 3.37Å; L527-A531 PolarHBondContact O-N 2.65Å; L527-M552 HydrophobicContact CB-SD 3.68Å; L527-M552 HydrophobicContact CD2-CE 4.14Å; L527-M552 HydrophobicContact CD2-SD 3.27Å; L527-M552 WeakPolarHBondContact CD2-SD 3.42Å; L527-M552 HydrophobicContact CG-SD 4Å; L527-P593 HydrophobicContact CD1-CG 3.66Å; L527-Y595 HydrophobicContact CD1-CE1 4.3Å; L527-Y595 WeakPolarHBondContact CD1-OH 3.27Å; L527-M817 HydrophobicContact CD1-CE 4.25Å; L527-M817 HydrophobicContact CD2-CE 3.94Å; L527-M817 HydrophobicContact CG-CE 4.05Å
528	L	93.6	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-41.2	177.9	-70.2	174.6	0	0	0	111.5	V483 L486 M487 F490 F504 Y524 L525 A531 V532	V483-L528 HydrophobicContact CG1-CD1 3.99Å; L486-L528 HydrophobicContact CB-CD1 3.9Å; L486-L528 HydrophobicContact CB-CD2 4.12Å; L486-L528 HydrophobicContact CD1-CD1 4.03Å; M487-L528 HydrophobicContact CE-CD2 3.86Å; M487-L528 HydrophobicContact CE-CG 3.89Å; F490-L528 HydrophobicContact CB-CD2 4.27Å; F490-L528 HydrophobicContact CD1-CD2 4.04Å; F490-L528 HydrophobicContact CD2-CD2 3.4Å; F490-L528 VanDerWaalsContact CD2-CD2 3.4Å; F490-L528 HydrophobicContact CE1-CD2 4.21Å; F490-L528 HydrophobicContact CE2-CB 4.25Å; F490-L528 HydrophobicContact CE2-CD2 3.63Å; F490-L528 WeakPolarHBondContact CE2-O 3.44Å; F490-L528 HydrophobicContact CG-CD2 3.64Å; F490-L528 HydrophobicContact CZ-CD2 4.03Å; F504-L528 HydrophobicContact CZ-CB 4.04Å; Y524-L528 WeakPolarHBondContact O-CG 3.34Å; Y524-L528 PolarHBondContact O-N 2.74Å; L525-L528 PolarHBondContact O-N 3.45Å; L528-A531 PolarHBondContact O-N 3.48Å; L528-V532 WeakPolarHBondContact O-CG2 3.17Å; L528-V532 PolarHBondContact O-N 3.05Å
529	D	94.3	Very high	91	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-47.6	178.8	-172.2	72.3	0	0	0	112	F504 L525 L527 A531 V532 E533 R543 L544 K549	F504-D529 HydrophobicContact CE1-CB 4.06Å; F504-D529 HydrophobicContact CZ-CB 4.07Å; L525-D529 VanDerWaalsContact O-CB 3.32Å; L525-D529 WeakPolarHBondContact O-CB 3.26Å; L525-D529 PolarHBondContact O-N 3.16Å; L527-D529 VanDerWaalsContact C-N 3.32Å; L527-D529 PolarHBondContact O-N 2.67Å; D529-A531 VanDerWaalsContact C-N 3.31Å; D529-A531 PolarHBondContact O-N 3.12Å; D529-V532 PolarHBondContact O-N 3.35Å; D529-E533 PolarHBondContact O-N 2.72Å; D529-E533 VanDerWaalsContact O-N 3.16Å; D529-R543 PolarHBondContact O-NH2 3.49Å; D529-R543 IonicContact OD1-CZ 2.91Å; D529-R543 IonicContact OD1-NE 2.83Å; D529-R543 PolarHBondContact OD1-NE 3Å; D529-R543 IonicContact OD1-NH2 3.27Å; D529-R543 PolarHBondContact OD1-NH2 3.14Å; D529-R543 IonicContact OD2-CZ 3.23Å; D529-R543 IonicContact OD2-NE 3.08Å; D529-R543 IonicContact OD2-NH2 2.72Å; D529-R543 PolarHBondContact OD2-NH2 3.34Å; D529-L544 HydrophobicContact CB-CB 3.75Å; D529-L544 HydrophobicContact CB-CD2 4.39Å; D529-L544 WeakPolarHBondContact OD1-CB 3.32Å; D529-L544 PolarHBondContact OD1-N 2.86Å; D529-K549 WeakPolarHBondContact OD2-CE 3.33Å; D529-K549 IonicContact OD2-NZ 3.71Å
530	A	92.4	Very high	91.3	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-30.1	174.8	0	0	0	0	0	113.1	S526 L527 E533 L534 P593	S526-A530 PolarHBondContact O-N 3.21Å; L527-A530 PolarHBondContact O-N 3.23Å; A530-E533 PolarHBondContact O-N 2.96Å; A530-L534 VanDerWaalsContact O-CG 3.31Å; A530-L534 WeakPolarHBondContact O-CG 3.33Å; A530-L534 PolarHBondContact O-N 2.91Å; A530-L534 VanDerWaalsContact O-N 3.07Å; A530-P593 HydrophobicContact CB-CB 3.46Å; A530-P593 VanDerWaalsContact CB-CB 3.46Å; A530-P593 HydrophobicContact CB-CG 3.72Å
531	A	93.8	Very high	91.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-37.6	175.5	0	0	0	0	0	112.3	F490 L527 L528 D529 E533 L534 E535 M817 H821	F490-A531 HydrophobicContact CD2-CB 3.44Å; F490-A531 VanDerWaalsContact CD2-CB 3.44Å; F490-A531 HydrophobicContact CE2-CB 3.68Å; L527-A531 WeakPolarHBondContact O-CB 3.37Å; L527-A531 PolarHBondContact O-N 2.65Å; L528-A531 PolarHBondContact O-N 3.48Å; D529-A531 VanDerWaalsContact C-N 3.31Å; D529-A531 PolarHBondContact O-N 3.12Å; A531-E533 VanDerWaalsContact C-N 3.33Å; A531-L534 PolarHBondContact O-N 2.95Å; A531-E535 WeakPolarHBondContact O-CB 3.4Å; A531-E535 PolarHBondContact O-N 3.01Å; A531-M817 HydrophobicContact CB-CE 3.91Å; A531-H821 VanDerWaalsContact CB-CE1 3.41Å; A531-H821 WeakPolarHBondContact CB-CE1 3.44Å
532	V	95.3	Very high	91.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-46.2	169.7	168.5	0	0	0	0	110.1	F490 L500 F504 L528 D529 L534 Y536 Y539	F490-V532 HydrophobicContact CE2-CG2 3.85Å; F490-V532 HydrophobicContact CZ-CG2 3.72Å; L500-V532 HydrophobicContact CD1-CG2 4.13Å; L500-V532 HydrophobicContact CD2-CG2 4.5Å; F504-V532 HydrophobicContact CE2-CG2 4.41Å; L528-V532 WeakPolarHBondContact O-CG2 3.17Å; L528-V532 PolarHBondContact O-N 3.05Å; D529-V532 PolarHBondContact O-N 3.35Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 3.12Å; V532-Y536 CarbonylContact O-C 3.52Å; V532-Y536 VanDerWaalsContact O-C 3.23Å; V532-Y536 WeakPolarHBondContact O-CA 3.47Å; V532-Y536 PolarHBondContact O-N 2.82Å; V532-Y539 HydrophobicContact CG1-CD1 3.51Å; V532-Y539 HydrophobicContact CG1-CE1 4.24Å; V532-Y539 HydrophobicContact CG1-CG 3.68Å
533	E	93	Very high	92.1	Very high	106 Å²	106	47.3 Å²	47.3	50%	0.495	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-35.6	179.9	-164.8	164.1	122.2	0	0	113.8	D529 A530 A531 R543	D529-E533 PolarHBondContact O-N 2.72Å; D529-E533 VanDerWaalsContact O-N 3.16Å; A530-E533 PolarHBondContact O-N 2.96Å; A531-E533 VanDerWaalsContact C-N 3.33Å; E533-R543 IonicContact OE2-CZ 2.67Å; E533-R543 IonicContact OE2-NH1 3.84Å; E533-R543 PolarHBondContact OE2-NH1 2.95Å; E533-R543 IonicContact OE2-NH2 3.23Å; E533-R543 PolarHBondContact OE2-NH2 3.08Å
534	L	93.3	Very high	92.3	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-83.5	-48	179.7	-68.7	171.2	0	0	0	113.1	A530 A531 V532 H821 L824 L825	A530-L534 VanDerWaalsContact O-CG 3.31Å; A530-L534 WeakPolarHBondContact O-CG 3.33Å; A530-L534 PolarHBondContact O-N 2.91Å; A530-L534 VanDerWaalsContact O-N 3.07Å; A531-L534 PolarHBondContact O-N 2.95Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 3.12Å; L534-H821 HydrophobicContact CD1-CB 3.82Å; L534-L824 HydrophobicContact CB-CD1 4.25Å; L534-L824 HydrophobicContact CD2-CB 4.26Å; L534-L825 HydrophobicContact CD1-CD1 4.38Å; L534-L825 HydrophobicContact CD1-CG 4.31Å; L534-L825 HydrophobicContact CD2-CD2 3.81Å; L534-L825 HydrophobicContact CD2-CG 3.92Å
535	E	94.1	Very high	92.3	Very high	41 Å²	41	51.3 Å²	51.3	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-104.5	-19.7	-167.6	-51.9	-154.4	127.6	0	0	114.5	F495 A531 R820 H821 L824	F495-E535 HydrophobicContact CE1-CB 3.84Å; F495-E535 HydrophobicContact CE2-CB 4.15Å; F495-E535 HydrophobicContact CZ-CB 3.42Å; F495-E535 VanDerWaalsContact CZ-CB 3.42Å; F495-E535 HydrophobicContact CZ-CG 4.3Å; F495-E535 WeakPolarHBondContact CZ-OE2 3.4Å; A531-E535 WeakPolarHBondContact O-CB 3.4Å; A531-E535 PolarHBondContact O-N 3.01Å; E535-R820 WeakPolarHBondContact OE1-CB 3.31Å; E535-R820 IonicContact OE1-CZ 2.86Å; E535-R820 IonicContact OE1-NE 3.67Å; E535-R820 PolarHBondContact OE1-NE 3.14Å; E535-R820 IonicContact OE1-NH2 3.34Å; E535-R820 PolarHBondContact OE1-NH2 3.17Å; E535-R820 IonicContact OE2-CZ 3.97Å; E535-R820 IonicContact OE2-NE 2.7Å; E535-R820 PolarHBondContact OE2-NE 2.97Å; E535-R820 IonicContact OE2-NH2 3.02Å; E535-R820 PolarHBondContact OE2-NH2 3.06Å; E535-H821 VanDerWaalsContact CD-CD2 3.48Å; E535-H821 IonicContact OE1-CD2 2.71Å; E535-H821 PolarHBondContact OE1-CD2 2.82Å; E535-H821 IonicContact OE1-NE2 3.51Å; E535-H821 IonicContact OE2-CD2 2.63Å; E535-H821 IonicContact OE2-NE2 3.71Å; E535-L824 HydrophobicContact CG-CD1 3.73Å
536	Y	93.1	Very high	92	Very high	67 Å²	67	55.5 Å²	55.5	26%	0.263	28%	0.275	S	S	.	.			trans	-130.3	70.5	-175.3	-172.9	-156.9	0	0	0	112.9	F495 L500 V532 D538 Y539	F495-Y536 HydrophobicContact CB-CD1 3.45Å; F495-Y536 VanDerWaalsContact CB-CD1 3.45Å; F495-Y536 HydrophobicContact CB-CE1 3.96Å; F495-Y536 HydrophobicContact CB-CG 3.88Å; F495-Y536 HydrophobicContact CD2-CG 4.46Å; F495-Y536 HydrophobicContact CG-CD1 4.18Å; F495-Y536 HydrophobicContact CG-CG 4.18Å; L500-Y536 HydrophobicContact CD1-CD1 4.29Å; L500-Y536 HydrophobicContact CD1-CE1 4.36Å; V532-Y536 CarbonylContact O-C 3.52Å; V532-Y536 VanDerWaalsContact O-C 3.23Å; V532-Y536 WeakPolarHBondContact O-CA 3.47Å; V532-Y536 PolarHBondContact O-N 2.82Å; Y536-D538 VanDerWaalsContact C-N 3.3Å; Y536-D538 HydrophobicContact CE2-CB 4.27Å; Y536-D538 PolarHBondContact O-N 3.43Å; Y536-Y539 HydrophobicContact CD1-CD2 4.04Å; Y536-Y539 HydrophobicContact CD1-CG 4.25Å; Y536-Y539 AromaticContact CE1-CD2 3.64Å; Y536-Y539 HydrophobicContact CE1-CD2 3.64Å; Y536-Y539 HydrophobicContact CE1-CG 4.21Å; Y536-Y539 WeakPolarHBondContact O-CB 3.49Å; Y536-Y539 PolarHBondContact O-N 3.41Å
537	R	87.8	Confident	91.8	Very high	200 Å²	200	58.9 Å²	58.9	76%	0.755	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	-174.2	-63.8	-178.4	179.5	-174.4	-2	115.1	Y539	R537-Y539 PolarHBondContact O-N 2.88Å
538	D	90.4	Very high	91.5	Very high	137 Å²	137	60.3 Å²	60.3	73%	0.733	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	8.6	-177.6	-50.7	-56.3	0	0	0	113.3	Y536 V540	Y536-D538 VanDerWaalsContact C-N 3.3Å; Y536-D538 HydrophobicContact CE2-CB 4.27Å; Y536-D538 PolarHBondContact O-N 3.43Å; D538-V540 PolarHBondContact O-N 3.06Å
539	Y	93.4	Very high	91.2	Very high	24 Å²	24	63.7 Å²	63.7	9%	0.094	33%	0.325	C	S	.	.			trans	-76	107.2	-179.6	-179	-100.9	0	0	0	112.5	L500 H501 V532 Y536 R537 G541 P542 R543	L500-Y539 HydrophobicContact CB-CE2 3.64Å; L500-Y539 HydrophobicContact CD1-CD2 4.4Å; L500-Y539 HydrophobicContact CD1-CE2 4.14Å; H501-Y539 AromaticContact CD2-CE2 3.64Å; H501-Y539 AromaticContact CD2-CZ 3.95Å; H501-Y539 AromaticContact NE2-CE2 3.94Å; V532-Y539 HydrophobicContact CG1-CD1 3.51Å; V532-Y539 HydrophobicContact CG1-CE1 4.24Å; V532-Y539 HydrophobicContact CG1-CG 3.68Å; Y536-Y539 HydrophobicContact CD1-CD2 4.04Å; Y536-Y539 HydrophobicContact CD1-CG 4.25Å; Y536-Y539 AromaticContact CE1-CD2 3.64Å; Y536-Y539 HydrophobicContact CE1-CD2 3.64Å; Y536-Y539 HydrophobicContact CE1-CG 4.21Å; Y536-Y539 WeakPolarHBondContact O-CB 3.49Å; Y536-Y539 PolarHBondContact O-N 3.41Å; R537-Y539 PolarHBondContact O-N 2.88Å; Y539-G541 VanDerWaalsContact C-N 3.34Å; Y539-G541 VanDerWaalsContact CE1-CA 3.48Å; Y539-G541 WeakPolarHBondContact CE1-O 3.49Å; Y539-G541 VanDerWaalsContact CZ-CA 3.43Å; Y539-P542 VanDerWaalsContact CE1-O 3.28Å; Y539-P542 WeakPolarHBondContact CE1-O 3.46Å; Y539-P542 PolarHBondContact OH-O 3.22Å; Y539-R543 HydrophobicContact CE1-CG 4.47Å
540	V	90.8	Very high	90.7	Very high	144 Å²	144	65.9 Å²	65.9	87%	0.873	34%	0.338	S	S	*	.			trans	-93.5	13.7	177.7	-152.5	0	0	0	0	112.7	D538	D538-V540 PolarHBondContact O-N 3.06Å
541	G	90.1	Very high	89.9	Confident	14 Å²	14	69.1 Å²	69.1	14%	0.144	35%	0.352	C	S	.	.	S	Bend	trans	-87.8	178	-175.6	0	0	0	0	0	114.8	H501 Y539	H501-G541 WeakPolarHBondContact NE2-CA 3.3Å; Y539-G541 VanDerWaalsContact C-N 3.34Å; Y539-G541 VanDerWaalsContact CE1-CA 3.48Å; Y539-G541 WeakPolarHBondContact CE1-O 3.49Å; Y539-G541 VanDerWaalsContact CZ-CA 3.43Å
542	P	92.4	Very high	88.8	Confident	53 Å²	53	70.5 Å²	70.5	34%	0.344	36%	0.359	S	S	.	.			trans	-61.3	140.6	174.2	25.7	-33.3	0	0	0	111.5	F504 Y539	F504-P542 HydrophobicContact CB-CB 4.11Å; F504-P542 HydrophobicContact CB-CG 4.08Å; F504-P542 WeakPolarHBondContact CB-O 3.48Å; F504-P542 WeakPolarHBondContact CD2-O 3.21Å; F504-P542 WeakPolarHBondContact CG-O 3.49Å; Y539-P542 VanDerWaalsContact CE1-O 3.28Å; Y539-P542 WeakPolarHBondContact CE1-O 3.46Å; Y539-P542 PolarHBondContact OH-O 3.22Å
543	R	93.3	Very high	87.6	Confident	84 Å²	84	72.8 Å²	72.8	32%	0.317	37%	0.369	S	S	.	.			trans	-112.7	161	178.2	-67.9	-70.5	-54.1	-84.4	-13.4	110.5	D529 E533 Y539 Q545	D529-R543 PolarHBondContact O-NH2 3.49Å; D529-R543 IonicContact OD1-CZ 2.91Å; D529-R543 IonicContact OD1-NE 2.83Å; D529-R543 PolarHBondContact OD1-NE 3Å; D529-R543 IonicContact OD1-NH2 3.27Å; D529-R543 PolarHBondContact OD1-NH2 3.14Å; D529-R543 IonicContact OD2-CZ 3.23Å; D529-R543 IonicContact OD2-NE 3.08Å; D529-R543 IonicContact OD2-NH2 2.72Å; D529-R543 PolarHBondContact OD2-NH2 3.34Å; E533-R543 IonicContact OE2-CZ 2.67Å; E533-R543 IonicContact OE2-NH1 3.84Å; E533-R543 PolarHBondContact OE2-NH1 2.95Å; E533-R543 IonicContact OE2-NH2 3.23Å; E533-R543 PolarHBondContact OE2-NH2 3.08Å; Y539-R543 HydrophobicContact CE1-CG 4.47Å; R543-Q545 PolarHBondContact O-N 3.05Å
544	L	92.6	Very high	86.3	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	36%	0.364	C	S	.	.			trans	-72	125.6	177.6	-167.9	66	0	0	0	110.9	F504 I509 L525 D529 H548 K549	F504-L544 HydrophobicContact CD1-CB 4.12Å; F504-L544 HydrophobicContact CE1-CB 4.03Å; I509-L544 HydrophobicContact CD1-CD1 3.98Å; L525-L544 HydrophobicContact CB-CD1 4.38Å; L525-L544 HydrophobicContact CB-CD2 3.97Å; D529-L544 HydrophobicContact CB-CB 3.75Å; D529-L544 HydrophobicContact CB-CD2 4.39Å; D529-L544 WeakPolarHBondContact OD1-CB 3.32Å; D529-L544 PolarHBondContact OD1-N 2.86Å; L544-H548 HydrophobicContact CD1-CB 3.66Å; L544-H548 HydrophobicContact CD2-CB 4.45Å; L544-H548 HydrophobicContact CG-CB 3.97Å; L544-K549 HydrophobicContact CD2-CG 3.96Å; L544-K549 HydrophobicContact CG-CG 4.27Å; L544-K549 WeakPolarHBondContact O-CE 3.41Å
545	Q	89.4	Confident	84.7	Confident	129 Å²	129	77.9 Å²	77.9	60%	0.603	39%	0.394	S	S	*	.			trans	-66.5	145.1	175	-62.2	172.3	-10.8	0	0	111.2	R543 A547 H548 K549	R543-Q545 PolarHBondContact O-N 3.05Å; Q545-A547 VanDerWaalsContact C-N 3.27Å; Q545-A547 PolarHBondContact O-N 3.44Å; Q545-H548 WeakPolarHBondContact O-CA 3.43Å; Q545-H548 WeakPolarHBondContact O-CB 3.48Å; Q545-H548 PolarHBondContact O-N 3.33Å; Q545-K549 PolarHBondContact O-N 2.97Å
546	D	86.8	Confident	83.2	Confident	90 Å²	90	76.6 Å²	76.6	48%	0.481	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-60	-32.9	-174.8	-59.5	-48.8	0	0	0	113.8	H548 K549	D546-H548 PolarHBondContact O-N 3.27Å; D546-K549 PolarHBondContact O-N 3Å; D546-K549 WeakPolarHBondContact OD1-CD 3.5Å; D546-K549 VanDerWaalsContact OD1-CE 3.27Å; D546-K549 WeakPolarHBondContact OD1-CE 3Å; D546-K549 IonicContact OD1-NZ 2.74Å; D546-K549 PolarHBondContact OD1-NZ 3.12Å
547	A	86.7	Confident	81.5	Confident	81 Å²	81	79 Å²	79	67%	0.669	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-61	-14.9	173	0	0	0	0	0	114.2	R522 Q545	R522-A547 PolarHBondContact NH2-O 2.95Å; Q545-A547 VanDerWaalsContact C-N 3.27Å; Q545-A547 PolarHBondContact O-N 3.44Å
548	H	85.3	Confident	80.6	Confident	37 Å²	37	70.2 Å²	70.2	17%	0.171	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-103.1	-12.6	175.2	-62.3	97.5	0	0	0	113.6	L544 Q545 D546	L544-H548 HydrophobicContact CD1-CB 3.66Å; L544-H548 HydrophobicContact CD2-CB 4.45Å; L544-H548 HydrophobicContact CG-CB 3.97Å; Q545-H548 WeakPolarHBondContact O-CA 3.43Å; Q545-H548 WeakPolarHBondContact O-CB 3.48Å; Q545-H548 PolarHBondContact O-N 3.33Å; D546-H548 PolarHBondContact O-N 3.27Å
549	K	87.1	Confident	79.5	Confident	71 Å²	71	66.1 Å²	66.1	31%	0.309	36%	0.361	S	S	.	.			trans	-72.6	135.6	-179.8	-69.6	-179.4	-172.4	165.1	0	111.2	S526 D529 L544 Q545 D546	S526-K549 WeakPolarHBondContact OG-CA 3.09Å; D529-K549 WeakPolarHBondContact OD2-CE 3.33Å; D529-K549 IonicContact OD2-NZ 3.71Å; L544-K549 HydrophobicContact CD2-CG 3.96Å; L544-K549 HydrophobicContact CG-CG 4.27Å; L544-K549 WeakPolarHBondContact O-CE 3.41Å; Q545-K549 PolarHBondContact O-N 2.97Å; D546-K549 PolarHBondContact O-N 3Å; D546-K549 WeakPolarHBondContact OD1-CD 3.5Å; D546-K549 VanDerWaalsContact OD1-CE 3.27Å; D546-K549 WeakPolarHBondContact OD1-CE 3Å; D546-K549 IonicContact OD1-NZ 2.74Å; D546-K549 PolarHBondContact OD1-NZ 3.12Å
550	V	84.3	Confident	78.4	Confident	49 Å²	49	67.5 Å²	67.5	30%	0.297	37%	0.37	S	S	.	.			trans	-142.9	147	173.7	-62.7	0	0	0	0	109.3	R522 R523 S526 M552	R522-V550 HydrophobicContact CB-CG2 3.9Å; R523-V550 HydrophobicContact CB-CG2 4.3Å; R523-V550 HydrophobicContact CG-CG2 3.67Å; S526-V550 WeakPolarHBondContact CB-O 3.37Å; S526-V550 PolarHBondContact OG-N 3Å; S526-V550 PolarHBondContact OG-O 3.02Å; V550-M552 PolarHBondContact O-N 3.29Å
551	L	76.1	Confident	77.6	Confident	89 Å²	89	64.2 Å²	64.2	47%	0.466	35%	0.345	S	S	.	.			trans	-65.1	128.3	175.1	-69.3	176.4	0	0	0	109.9	F553 D554	L551-F553 PolarHBondContact O-N 3.05Å; L551-D554 HydrophobicContact CB-CB 3.85Å
552	M	70.8	Confident	76.9	Confident	28 Å²	28	68.6 Å²	68.6	14%	0.138	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-42.7	-168.6	176.2	179.7	171	0	0	113.2	R523 Y524 L527 V550	R523-M552 HydrophobicContact CB-CG 4.32Å; R523-M552 WeakPolarHBondContact CD-O 3.23Å; R523-M552 PolarHBondContact NH1-O 2.83Å; Y524-M552 HydrophobicContact CD1-CE 3.97Å; Y524-M552 HydrophobicContact CE1-CE 3.85Å; L527-M552 HydrophobicContact CB-SD 3.68Å; L527-M552 HydrophobicContact CD2-CE 4.14Å; L527-M552 HydrophobicContact CD2-SD 3.27Å; L527-M552 WeakPolarHBondContact CD2-SD 3.42Å; L527-M552 HydrophobicContact CG-SD 4Å; V550-M552 PolarHBondContact O-N 3.29Å
553	F	68.1	Low	76.2	Confident	51 Å²	51	68.5 Å²	68.5	22%	0.224	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5	-171	-59.3	-89.3	0	0	0	113.8	L551 H555 A556 T558 G594 Y595 Y596	L551-F553 PolarHBondContact O-N 3.05Å; F553-H555 PolarHBondContact O-N 3.47Å; F553-A556 WeakPolarHBondContact O-CB 3.48Å; F553-A556 PolarHBondContact O-N 2.68Å; F553-T558 HydrophobicContact CD1-CG2 4.07Å; F553-G594 WeakPolarHBondContact CD2-O 3.46Å; F553-Y595 AromaticContact CE2-CD1 3.95Å; F553-Y595 HydrophobicContact CE2-CD1 3.95Å; F553-Y595 HydrophobicContact CE2-CE1 4.26Å; F553-Y596 HydrophobicContact CB-CD2 4.15Å; F553-Y596 HydrophobicContact CB-CE2 3.67Å; F553-Y596 PolarHBondContact O-OH 3.25Å
554	D	66.4	Low	75.5	Confident	74 Å²	74	70.4 Å²	70.4	40%	0.396	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	128.7	-178.5	-174.4	25.9	0	0	0	111.5	R523 L551 A556	R523-D554 PolarHBondContact NH1-O 3.31Å; R523-D554 PolarHBondContact NH2-O 3Å; L551-D554 HydrophobicContact CB-CB 3.85Å; D554-A556 PolarHBondContact O-N 3.01Å
555	H	60.6	Low	74.9	Confident	166 Å²	166	78.3 Å²	78.3	77%	0.769	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	25.1	-168.7	-54.9	-65.7	0	0	0	116	F553	F553-H555 PolarHBondContact O-N 3.47Å
556	A	61.3	Low	74.3	Confident	15 Å²	15	79 Å²	79	12%	0.124	41%	0.405	C	S	.	.			trans	-97.8	115.7	180	0	0	0	0	0	111.4	F553 D554 T558	F553-A556 WeakPolarHBondContact O-CB 3.48Å; F553-A556 PolarHBondContact O-N 2.68Å; D554-A556 PolarHBondContact O-N 3.01Å; A556-T558 WeakPolarHBondContact O-CG2 3.26Å; A556-T558 PolarHBondContact O-N 3.06Å
557	L	58.2	Low	74.3	Confident	117 Å²	117	75.8 Å²	75.8	61%	0.613	39%	0.389	S	S	*	.			trans	-54.8	94.9	171.9	-84.1	163.5	0	0	0	111.4	F744	L557-F744 WeakPolarHBondContact O-CD1 3.44Å; L557-F744 WeakPolarHBondContact O-CE1 3.49Å
558	T	69.4	Low	74.5	Confident	15 Å²	15	74.9 Å²	74.9	9%	0.092	37%	0.369	C	S	.	.			trans	-74.8	161.6	-178.1	64.2	0	0	0	0	112.3	F553 A556 D560 E561 V562 Y596	F553-T558 HydrophobicContact CD1-CG2 4.07Å; A556-T558 WeakPolarHBondContact O-CG2 3.26Å; A556-T558 PolarHBondContact O-N 3.06Å; T558-D560 PolarHBondContact O-N 3.3Å; T558-D560 PolarHBondContact OG1-N 3.32Å; T558-E561 VanDerWaalsContact CB-OE1 3.22Å; T558-E561 WeakPolarHBondContact CB-OE1 3.2Å; T558-E561 VanDerWaalsContact CG2-OE1 3.29Å; T558-E561 WeakPolarHBondContact CG2-OE1 3.29Å; T558-E561 PolarHBondContact N-OE1 3.19Å; T558-E561 PolarHBondContact O-N 2.96Å; T558-E561 PolarHBondContact OG1-N 3.17Å; T558-E561 VanDerWaalsContact OG1-N 3.16Å; T558-E561 PolarHBondContact OG1-OE1 2.96Å; T558-V562 WeakPolarHBondContact O-CG2 3.47Å; T558-V562 PolarHBondContact O-N 3.29Å; T558-Y596 HydrophobicContact CG2-CD2 3.99Å; T558-Y596 HydrophobicContact CG2-CE2 3.86Å
559	A	67.3	Low	74.7	Confident	51 Å²	51	74.2 Å²	74.2	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-27.1	169.5	0	0	0	0	0	112.2	N563	A559-N563 WeakPolarHBondContact O-CB 3.28Å; A559-N563 PolarHBondContact O-N 3.42Å; A559-N563 VanDerWaalsContact O-N 3.09Å; A559-N563 PolarHBondContact O-ND2 3.35Å
560	D	69.9	Low	74.9	Confident	53 Å²	53	73.5 Å²	73.5	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-79.3	-33.5	-177.4	-61.5	-14	0	0	0	111.2	T558 R564 W802 H803 R815	T558-D560 PolarHBondContact O-N 3.3Å; T558-D560 PolarHBondContact OG1-N 3.32Å; D560-R564 WeakPolarHBondContact O-CA 3.33Å; D560-R564 PolarHBondContact O-N 3.01Å; D560-W802 PolarHBondContact OD1-NE1 3.4Å; D560-H803 IonicContact OD1-CE1 2.72Å; D560-H803 IonicContact OD1-NE2 2.94Å; D560-H803 PolarHBondContact OD1-NE2 2.89Å; D560-H803 IonicContact OD2-CE1 2.65Å; D560-H803 IonicContact OD2-NE2 2.72Å; D560-H803 PolarHBondContact OD2-NE2 3.41Å; D560-R815 IonicContact OD2-NH1 2.82Å; D560-R815 PolarHBondContact OD2-NH1 3.21Å
561	E	73.8	Confident	75.2	Confident	76 Å²	76	74 Å²	74	36%	0.355	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-51	167.7	-74.2	151.5	-104.2	0	0	112	T558 N563 R564	T558-E561 VanDerWaalsContact CB-OE1 3.22Å; T558-E561 WeakPolarHBondContact CB-OE1 3.2Å; T558-E561 VanDerWaalsContact CG2-OE1 3.29Å; T558-E561 WeakPolarHBondContact CG2-OE1 3.29Å; T558-E561 PolarHBondContact N-OE1 3.19Å; T558-E561 PolarHBondContact O-N 2.96Å; T558-E561 PolarHBondContact OG1-N 3.17Å; T558-E561 VanDerWaalsContact OG1-N 3.16Å; T558-E561 PolarHBondContact OG1-OE1 2.96Å; E561-N563 PolarHBondContact O-N 2.98Å; E561-R564 VanDerWaalsContact O-CB 3.23Å; E561-R564 WeakPolarHBondContact O-CB 3.39Å; E561-R564 PolarHBondContact O-N 3.48Å; E561-R564 VanDerWaalsContact O-N 3.1Å
562	V	74.8	Confident	76.1	Confident	105 Å²	105	69.8 Å²	69.8	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-61.4	-34.3	-178.1	174.8	0	0	0	0	111.5	T558	T558-V562 WeakPolarHBondContact O-CG2 3.47Å; T558-V562 PolarHBondContact O-N 3.29Å
563	N	77.5	Confident	77.1	Confident	52 Å²	52	69.1 Å²	69.1	28%	0.278	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.8	178.4	-64.5	-74.6	0	0	0	114.1	A559 E561 K565 Y566 W802	A559-N563 WeakPolarHBondContact O-CB 3.28Å; A559-N563 PolarHBondContact O-N 3.42Å; A559-N563 VanDerWaalsContact O-N 3.09Å; A559-N563 PolarHBondContact O-ND2 3.35Å; E561-N563 PolarHBondContact O-N 2.98Å; N563-K565 PolarHBondContact O-N 3.19Å; N563-Y566 PolarHBondContact O-N 3.16Å; N563-W802 HydrophobicContact CB-CD2 4.16Å; N563-W802 HydrophobicContact CB-CE3 4.06Å; N563-W802 HydrophobicContact CB-CH2 3.45Å; N563-W802 VanDerWaalsContact CB-CH2 3.45Å; N563-W802 HydrophobicContact CB-CZ2 3.55Å; N563-W802 HydrophobicContact CB-CZ3 3.72Å; N563-W802 WeakPolarHBondContact O-CH2 3.42Å
564	R	78.4	Confident	78.3	Confident	123 Å²	123	69.7 Å²	69.7	46%	0.464	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-53.9	-29	-176	-168.8	173.6	-174.9	135.3	6.9	113.7	D560 E561 Y566 S567 D588	D560-R564 WeakPolarHBondContact O-CA 3.33Å; D560-R564 PolarHBondContact O-N 3.01Å; E561-R564 VanDerWaalsContact O-CB 3.23Å; E561-R564 WeakPolarHBondContact O-CB 3.39Å; E561-R564 PolarHBondContact O-N 3.48Å; E561-R564 VanDerWaalsContact O-N 3.1Å; R564-Y566 PolarHBondContact O-N 3.15Å; R564-S567 PolarHBondContact O-N 3.04Å; R564-D588 IonicContact CZ-OD2 3.31Å; R564-D588 IonicContact NH1-OD2 3.77Å; R564-D588 IonicContact NH2-OD2 3.26Å; R564-D588 PolarHBondContact NH2-OD2 2.8Å
565	K	80	Confident	79.7	Confident	173 Å²	173	66.1 Å²	66.1	75%	0.752	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.1	172.8	-178.3	-174.7	172.1	-163.3	0	113.5	N563	N563-K565 PolarHBondContact O-N 3.19Å
566	Y	78.3	Confident	81.2	Confident	143 Å²	143	58.2 Å²	58.2	56%	0.561	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-103.2	12.3	-175.9	-53.9	-68.3	0	0	0	112.7	N563 R564	N563-Y566 PolarHBondContact O-N 3.16Å; R564-Y566 PolarHBondContact O-N 3.15Å
567	S	86.6	Confident	82.7	Confident	22 Å²	22	62.4 Å²	62.4	15%	0.154	32%	0.316	C	S	.	.			trans	-97	137.9	-176.8	-177.1	0	0	0	0	112.2	R564 K569 D800	R564-S567 PolarHBondContact O-N 3.04Å; S567-K569 PolarHBondContact O-N 2.83Å; S567-K569 VanDerWaalsContact OG-CB 3.24Å; S567-K569 WeakPolarHBondContact OG-CB 3.16Å; S567-K569 PolarHBondContact OG-N 3.43Å; S567-D800 WeakPolarHBondContact CA-OD1 3.29Å; S567-D800 WeakPolarHBondContact CB-OD2 3.45Å; S567-D800 VanDerWaalsContact OG-CG 3.3Å; S567-D800 PolarHBondContact OG-OD1 3.34Å; S567-D800 PolarHBondContact OG-OD2 3.09Å
568	Y	90.1	Very high	84.4	Confident	62 Å²	62	60.9 Å²	60.9	24%	0.243	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.7	172.2	-73.5	-80.7	0	0	0	113.5	G570 L571 V572 D800 Y834 L837 E838	Y568-G570 VanDerWaalsContact C-N 3.25Å; Y568-G570 PolarHBondContact O-N 2.59Å; Y568-G570 VanDerWaalsContact O-N 3.16Å; Y568-L571 HydrophobicContact CD1-CD2 4.44Å; Y568-L571 PolarHBondContact O-N 3.38Å; Y568-V572 PolarHBondContact O-N 3.43Å; Y568-D800 PolarHBondContact N-OD1 3.21Å; Y568-D800 VanDerWaalsContact N-OD1 3.13Å; Y568-Y834 HydrophobicContact CD2-CD2 4.17Å; Y568-Y834 AromaticContact CE2-CD2 3.72Å; Y568-Y834 HydrophobicContact CE2-CD2 3.72Å; Y568-Y834 AromaticContact CE2-CE2 3.75Å; Y568-Y834 HydrophobicContact CE2-CE2 3.75Å; Y568-L837 HydrophobicContact CD1-CB 4.23Å; Y568-L837 HydrophobicContact CD2-CB 4.03Å; Y568-L837 HydrophobicContact CD2-CD1 4.4Å; Y568-L837 HydrophobicContact CE2-CB 4.4Å; Y568-L837 HydrophobicContact CG-CB 3.95Å; Y568-L837 HydrophobicContact CG-CD1 4.23Å; Y568-E838 WeakPolarHBondContact OH-CA 3.27Å
569	K	90.2	Very high	85.5	Confident	24 Å²	24	62.8 Å²	62.8	10%	0.104	32%	0.315	C	S	.	.	H	α-helix	trans	-54.7	-34.5	-176.2	-173.3	167.5	179.7	170	0	114.1	S567 A573 D588 D598 F599 V798	S567-K569 PolarHBondContact O-N 2.83Å; S567-K569 VanDerWaalsContact OG-CB 3.24Å; S567-K569 WeakPolarHBondContact OG-CB 3.16Å; S567-K569 PolarHBondContact OG-N 3.43Å; K569-A573 WeakPolarHBondContact O-CB 3.48Å; K569-A573 PolarHBondContact O-N 2.89Å; K569-D588 WeakPolarHBondContact CE-OD1 3.06Å; K569-D588 IonicContact NZ-OD1 3.87Å; K569-D588 PolarHBondContact NZ-OD1 3.23Å; K569-D598 HydrophobicContact CD-CB 4.26Å; K569-D598 WeakPolarHBondContact CE-OD1 3.39Å; K569-D598 IonicContact NZ-OD1 2.73Å; K569-D598 PolarHBondContact NZ-OD1 3.13Å; K569-F599 HydrophobicContact CG-CE2 4.2Å; K569-F599 HydrophobicContact CG-CZ 4.01Å; K569-V798 HydrophobicContact CB-CG1 4.3Å; K569-V798 HydrophobicContact CB-CG2 4.45Å
570	G	90.2	Very high	86.6	Confident	55 Å²	55	62.5 Å²	62.5	57%	0.567	31%	0.306	S	S	*	.	H	α-helix	trans	-66.8	-41.1	175	0	0	0	0	0	113.5	Y568 A573 E574	Y568-G570 VanDerWaalsContact C-N 3.25Å; Y568-G570 PolarHBondContact O-N 2.59Å; Y568-G570 VanDerWaalsContact O-N 3.16Å; G570-A573 PolarHBondContact O-N 3.2Å; G570-E574 PolarHBondContact O-N 2.88Å
571	L	91.5	Very high	87.4	Confident	59 Å²	59	61.4 Å²	61.4	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-70.7	-38.7	177.1	-178.2	60.1	0	0	0	111.4	Y568 A575 I843 V846	Y568-L571 HydrophobicContact CD1-CD2 4.44Å; Y568-L571 PolarHBondContact O-N 3.38Å; L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.45Å; L571-A575 PolarHBondContact O-N 2.92Å; L571-I843 HydrophobicContact CD1-CB 4.39Å; L571-V846 HydrophobicContact CD2-CG2 3.86Å; L571-V846 HydrophobicContact CG-CG2 4.15Å
572	V	94.1	Very high	87.9	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-42.2	174.1	174.4	0	0	0	0	111.3	Y568 A575 L576 F599 V798 L832 L837 L850	Y568-V572 PolarHBondContact O-N 3.43Å; V572-A575 PolarHBondContact O-N 3.34Å; V572-L576 HydrophobicContact CG1-CD1 3.95Å; V572-L576 HydrophobicContact CG1-CG 4.28Å; V572-L576 WeakPolarHBondContact O-CB 3.36Å; V572-L576 VanDerWaalsContact O-CG 3.3Å; V572-L576 WeakPolarHBondContact O-CG 3.21Å; V572-L576 PolarHBondContact O-N 2.81Å; V572-F599 HydrophobicContact CB-CE2 4.11Å; V572-F599 HydrophobicContact CB-CZ 4.37Å; V572-F599 HydrophobicContact CG1-CD2 4.13Å; V572-F599 HydrophobicContact CG1-CE2 3.49Å; V572-F599 VanDerWaalsContact CG1-CE2 3.49Å; V572-F599 HydrophobicContact CG1-CZ 4.04Å; V572-V798 HydrophobicContact CB-CG2 4.26Å; V572-V798 HydrophobicContact CG1-CG2 4.14Å; V572-V798 HydrophobicContact CG2-CG2 4.22Å; V572-L832 HydrophobicContact CG1-CD1 3.87Å; V572-L832 HydrophobicContact CG2-CD1 4.44Å; V572-L837 HydrophobicContact CG2-CD2 4.21Å; V572-L850 HydrophobicContact CG1-CD1 4.19Å; V572-L850 HydrophobicContact CG1-CD2 4.15Å
573	A	92.6	Very high	88.3	Confident	14 Å²	14	65.7 Å²	65.7	12%	0.116	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-49.5	176.5	0	0	0	0	0	111.8	K569 G570 A575 L576 R577 Y585 F599	K569-A573 WeakPolarHBondContact O-CB 3.48Å; K569-A573 PolarHBondContact O-N 2.89Å; G570-A573 PolarHBondContact O-N 3.2Å; A573-A575 PolarHBondContact O-N 3.16Å; A573-L576 PolarHBondContact O-N 3.06Å; A573-R577 WeakPolarHBondContact O-CB 3.38Å; A573-R577 PolarHBondContact O-N 3.01Å; A573-Y585 PolarHBondContact O-OH 3.46Å; A573-F599 HydrophobicContact CB-CE1 3.67Å; A573-F599 HydrophobicContact CB-CZ 3.72Å
574	E	93.4	Very high	88.7	Confident	63 Å²	63	64.1 Å²	64.1	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-37	-179.9	179.5	52.3	-153.7	0	0	112	G570 R577 Q578 I843	G570-E574 PolarHBondContact O-N 2.88Å; E574-R577 VanDerWaalsContact CD-NH2 3.26Å; E574-R577 PolarHBondContact O-N 3.49Å; E574-R577 IonicContact OE1-CZ 2.72Å; E574-R577 IonicContact OE1-NE 2.68Å; E574-R577 IonicContact OE1-NH2 2.77Å; E574-R577 PolarHBondContact OE1-NH2 2.85Å; E574-R577 IonicContact OE2-CZ 3.78Å; E574-R577 VanDerWaalsContact OE2-CZ 3.26Å; E574-R577 IonicContact OE2-NE 3.45Å; E574-R577 PolarHBondContact OE2-NE 3.1Å; E574-R577 IonicContact OE2-NH2 2.96Å; E574-R577 PolarHBondContact OE2-NH2 3.11Å; E574-Q578 WeakPolarHBondContact O-CG 3.43Å; E574-Q578 PolarHBondContact O-N 3.32Å; E574-Q578 VanDerWaalsContact O-N 3.1Å; E574-Q578 PolarHBondContact OE1-NE2 3.36Å; E574-I843 HydrophobicContact CB-CD1 4.28Å; E574-I843 HydrophobicContact CG-CD1 3.59Å
575	A	94.5	Very high	89.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-43.3	172.8	0	0	0	0	0	112.7	L571 V572 A573 Q578 L579 I843 V846 K847 L850	L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.45Å; L571-A575 PolarHBondContact O-N 2.92Å; V572-A575 PolarHBondContact O-N 3.34Å; A573-A575 PolarHBondContact O-N 3.16Å; A575-Q578 PolarHBondContact O-N 2.87Å; A575-L579 WeakPolarHBondContact O-CB 3.48Å; A575-L579 WeakPolarHBondContact O-CG 3.42Å; A575-L579 PolarHBondContact O-N 3.08Å; A575-I843 HydrophobicContact CB-CG1 4.19Å; A575-V846 HydrophobicContact CB-CB 4.35Å; A575-V846 HydrophobicContact CB-CG1 3.7Å; A575-K847 HydrophobicContact CB-CG 3.76Å; A575-L850 HydrophobicContact CB-CD1 3.62Å
576	L	93.8	Very high	89.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-41.8	174.7	-72.2	173.2	0	0	0	111.8	V572 A573 Q578 L579 L580 Y585 F599 L796 L850	V572-L576 HydrophobicContact CG1-CD1 3.95Å; V572-L576 HydrophobicContact CG1-CG 4.28Å; V572-L576 WeakPolarHBondContact O-CB 3.36Å; V572-L576 VanDerWaalsContact O-CG 3.3Å; V572-L576 WeakPolarHBondContact O-CG 3.21Å; V572-L576 PolarHBondContact O-N 2.81Å; A573-L576 PolarHBondContact O-N 3.06Å; L576-Q578 VanDerWaalsContact C-N 3.28Å; L576-Q578 PolarHBondContact O-N 3.33Å; L576-L579 PolarHBondContact O-N 3.39Å; L576-L580 HydrophobicContact CD2-CD1 3.94Å; L576-L580 PolarHBondContact O-N 2.82Å; L576-Y585 HydrophobicContact CB-CD1 4.19Å; L576-Y585 HydrophobicContact CB-CE1 3.84Å; L576-F599 HydrophobicContact CD1-CB 4.13Å; L576-F599 HydrophobicContact CD1-CD1 3.76Å; L576-F599 HydrophobicContact CD1-CD2 3.81Å; L576-F599 HydrophobicContact CD1-CE1 4.08Å; L576-F599 HydrophobicContact CD1-CE2 4.15Å; L576-F599 HydrophobicContact CD1-CG 3.61Å; L576-F599 HydrophobicContact CD1-CZ 4.28Å; L576-L796 HydrophobicContact CD1-CD2 3.93Å; L576-L796 HydrophobicContact CD2-CD2 3.73Å; L576-L796 HydrophobicContact CG-CD2 4.41Å; L576-L850 HydrophobicContact CD2-CD1 4.08Å; L576-L850 HydrophobicContact CG-CD1 4.08Å
577	R	92.9	Very high	90.4	Very high	103 Å²	103	51 Å²	51	39%	0.389	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-40.6	176.1	-162.4	-179.4	68.1	85.4	7.9	111.8	A573 E574 G581 E582	A573-R577 WeakPolarHBondContact O-CB 3.38Å; A573-R577 PolarHBondContact O-N 3.01Å; E574-R577 VanDerWaalsContact CD-NH2 3.26Å; E574-R577 PolarHBondContact O-N 3.49Å; E574-R577 IonicContact OE1-CZ 2.72Å; E574-R577 IonicContact OE1-NE 2.68Å; E574-R577 IonicContact OE1-NH2 2.77Å; E574-R577 PolarHBondContact OE1-NH2 2.85Å; E574-R577 IonicContact OE2-CZ 3.78Å; E574-R577 VanDerWaalsContact OE2-CZ 3.26Å; E574-R577 IonicContact OE2-NE 3.45Å; E574-R577 PolarHBondContact OE2-NE 3.1Å; E574-R577 IonicContact OE2-NH2 2.96Å; E574-R577 PolarHBondContact OE2-NH2 3.11Å; R577-G581 VanDerWaalsContact O-CA 3.31Å; R577-G581 WeakPolarHBondContact O-CA 3.16Å; R577-G581 PolarHBondContact O-N 2.89Å; R577-G581 VanDerWaalsContact O-N 3.16Å; R577-E582 HydrophobicContact CG-CB 4.19Å; R577-E582 HydrophobicContact CG-CG 4.42Å
578	Q	93.9	Very high	90.4	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-77.2	-28.7	176.8	-69.1	-173.8	21.1	0	0	114.7	E574 A575 L576 K847	E574-Q578 WeakPolarHBondContact O-CG 3.43Å; E574-Q578 PolarHBondContact O-N 3.32Å; E574-Q578 VanDerWaalsContact O-N 3.1Å; E574-Q578 PolarHBondContact OE1-NE2 3.36Å; A575-Q578 PolarHBondContact O-N 2.87Å; L576-Q578 VanDerWaalsContact C-N 3.28Å; L576-Q578 PolarHBondContact O-N 3.33Å; Q578-K847 HydrophobicContact CB-CD 4.16Å
579	L	91.6	Very high	90.2	Very high	56 Å²	56	52.2 Å²	52.2	29%	0.293	27%	0.27	S	S	.	.	H	α-helix	trans	-79.8	-46.6	178.2	-80.4	169.9	0	0	0	113.2	A575 L576 K847 L850 H851	A575-L579 WeakPolarHBondContact O-CB 3.48Å; A575-L579 WeakPolarHBondContact O-CG 3.42Å; A575-L579 PolarHBondContact O-N 3.08Å; L576-L579 PolarHBondContact O-N 3.39Å; L579-K847 HydrophobicContact CD1-CB 4.22Å; L579-K847 HydrophobicContact CD1-CG 4.34Å; L579-K847 WeakPolarHBondContact CD1-O 3.19Å; L579-K847 HydrophobicContact CD2-CB 4.07Å; L579-K847 HydrophobicContact CD2-CG 4.47Å; L579-K847 HydrophobicContact CG-CB 4.07Å; L579-K847 HydrophobicContact CG-CG 4.02Å; L579-L850 HydrophobicContact CD1-CB 3.81Å; L579-L850 HydrophobicContact CD1-CD1 4.41Å; L579-H851 HydrophobicContact CD2-CB 4.37Å
580	L	89.9	Confident	90	Very high	45 Å²	45	54.4 Å²	54.4	24%	0.236	29%	0.286	C	S	.	.	H	α-helix	trans	-115.3	-16.6	-163.2	-53.8	179.4	0	0	0	112.9	L576 S584 L601 V609 L854	L576-L580 HydrophobicContact CD2-CD1 3.94Å; L576-L580 PolarHBondContact O-N 2.82Å; L580-S584 VanDerWaalsContact O-CB 3.23Å; L580-S584 WeakPolarHBondContact O-CB 3.48Å; L580-S584 PolarHBondContact O-OG 3.3Å; L580-L601 HydrophobicContact CD1-CD2 3.56Å; L580-V609 HydrophobicContact CD1-CG1 4.45Å; L580-V609 HydrophobicContact CD1-CG2 4.12Å; L580-V609 HydrophobicContact CD2-CG2 3.87Å; L580-L854 HydrophobicContact CD1-CD1 4.16Å; L580-L854 HydrophobicContact CD2-CD1 4.4Å
581	G	87.2	Confident	89.8	Confident	30 Å²	30	52.6 Å²	52.6	31%	0.309	26%	0.263	S	S	.	.			trans	79.4	154.8	-167.8	0	0	0	0	0	113	R577 H583 S584	R577-G581 VanDerWaalsContact O-CA 3.31Å; R577-G581 WeakPolarHBondContact O-CA 3.16Å; R577-G581 PolarHBondContact O-N 2.89Å; R577-G581 VanDerWaalsContact O-N 3.16Å; G581-H583 PolarHBondContact O-N 3.21Å; G581-H583 VanDerWaalsContact O-N 3.13Å; G581-S584 PolarHBondContact O-N 2.82Å
582	E	83.9	Confident	89	Confident	126 Å²	126	53.9 Å²	53.9	59%	0.589	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.6	-170.4	-161.7	166.8	161.1	0	0	114.7	R577	R577-E582 HydrophobicContact CG-CB 4.19Å; R577-E582 HydrophobicContact CG-CG 4.42Å
583	H	83.6	Confident	88.2	Confident	144 Å²	144	55 Å²	55	67%	0.667	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	3.7	179.9	-54.1	-30.6	0	0	0	113.5	G581 P611 I612	G581-H583 PolarHBondContact O-N 3.21Å; G581-H583 VanDerWaalsContact O-N 3.13Å; H583-P611 CarbonylContact O-C 3.54Å; H583-P611 WeakPolarHBondContact O-CA 3.41Å; H583-I612 PolarHBondContact O-N 2.91Å
584	S	86	Confident	87.6	Confident	19 Å²	19	54.3 Å²	54.3	13%	0.133	28%	0.277	C	S	.	.	S	Bend	trans	-98.9	-2.4	-175.1	-60.6	0	0	0	0	113.6	L580 G581 V609	L580-S584 VanDerWaalsContact O-CB 3.23Å; L580-S584 WeakPolarHBondContact O-CB 3.48Å; L580-S584 PolarHBondContact O-OG 3.3Å; G581-S584 PolarHBondContact O-N 2.82Å; S584-V609 VanDerWaalsContact O-CG1 3.22Å; S584-V609 WeakPolarHBondContact O-CG1 3.24Å
585	Y	90.6	Very high	87.2	Confident	24 Å²	24	51.8 Å²	51.8	9%	0.094	26%	0.264	C	S	.	.			trans	-145.9	157.9	173.9	64.2	-88.3	0	0	0	110.4	A573 L576 Q587 F599 V600	A573-Y585 PolarHBondContact O-OH 3.46Å; L576-Y585 HydrophobicContact CB-CD1 4.19Å; L576-Y585 HydrophobicContact CB-CE1 3.84Å; Y585-Q587 HydrophobicContact CD2-CB 4.46Å; Y585-Q587 HydrophobicContact CE2-CB 4.31Å; Y585-F599 AromaticContact CD2-CD1 3.73Å; Y585-F599 HydrophobicContact CD2-CD1 3.73Å; Y585-F599 AromaticContact CE2-CD1 3.8Å; Y585-F599 HydrophobicContact CE2-CD1 3.8Å; Y585-F599 HydrophobicContact CE2-CE1 4.14Å; Y585-V600 CarbonylContact C-O 3.27Å; Y585-V600 WeakPolarHBondContact CA-O 3.24Å
586	K	91.3	Very high	86.7	Confident	69 Å²	69	55.3 Å²	55.3	30%	0.3	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.8	161.6	-73.6	164.6	143.9	-90.4	0	109	E589 F599 V600 I612	K586-E589 HydrophobicContact CB-CG 3.5Å; K586-E589 HydrophobicContact CD-CG 4.13Å; K586-E589 WeakPolarHBondContact CD-OE2 3.49Å; K586-E589 HydrophobicContact CG-CG 4.32Å; K586-E589 IonicContact NZ-OE1 3.91Å; K586-E589 PolarHBondContact NZ-OE1 2.7Å; K586-E589 IonicContact NZ-OE2 3.1Å; K586-E589 PolarHBondContact NZ-OE2 2.93Å; K586-F599 CarbonylContact O-C 3.48Å; K586-F599 VanDerWaalsContact O-CA 3.26Å; K586-F599 WeakPolarHBondContact O-CA 3.47Å; K586-V600 HydrophobicContact CB-CB 4.43Å; K586-V600 PolarHBondContact N-O 3.49Å; K586-V600 PolarHBondContact O-N 2.94Å; K586-I612 HydrophobicContact CD-CD1 4.44Å; K586-I612 HydrophobicContact CD-CG2 3.91Å; K586-I612 HydrophobicContact CG-CD1 4.34Å; K586-I612 HydrophobicContact CG-CG2 4.22Å
587	Q	89.8	Confident	86.4	Confident	71 Å²	71	55.3 Å²	55.3	33%	0.332	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149	179.2	-173.7	-171.3	-58.7	0	0	110.3	Y585 E589 D598 F599	Y585-Q587 HydrophobicContact CD2-CB 4.46Å; Y585-Q587 HydrophobicContact CE2-CB 4.31Å; Q587-E589 PolarHBondContact O-N 2.99Å; Q587-E589 VanDerWaalsContact O-N 3.15Å; Q587-D598 WeakPolarHBondContact CA-O 3.35Å; Q587-D598 WeakPolarHBondContact CG-O 3.44Å; Q587-F599 HydrophobicContact CB-CD1 4.03Å; Q587-F599 HydrophobicContact CB-CE1 4.25Å; Q587-F599 HydrophobicContact CG-CD1 3.81Å; Q587-F599 HydrophobicContact CG-CE1 3.63Å; Q587-F599 HydrophobicContact CG-CZ 4.49Å
588	D	86.9	Confident	86.3	Confident	50 Å²	50	50.9 Å²	50.9	27%	0.267	26%	0.262	S	S	.	.	S	Bend	trans	60.6	23.3	171.4	-73.4	-45.6	0	0	0	113.9	R564 K569 T597 D598	R564-D588 IonicContact CZ-OD2 3.31Å; R564-D588 IonicContact NH1-OD2 3.77Å; R564-D588 IonicContact NH2-OD2 3.26Å; R564-D588 PolarHBondContact NH2-OD2 2.8Å; K569-D588 WeakPolarHBondContact CE-OD1 3.06Å; K569-D588 IonicContact NZ-OD1 3.87Å; K569-D588 PolarHBondContact NZ-OD1 3.23Å; D588-T597 WeakPolarHBondContact CA-O 3.41Å; D588-T597 PolarHBondContact N-O 3.05Å; D588-D598 PolarHBondContact N-O 3.3Å; D588-D598 VanDerWaalsContact N-O 3.12Å
589	E	87.1	Confident	86.3	Confident	60 Å²	60	46.9 Å²	46.9	28%	0.28	24%	0.243	S	C	.	.			trans	-70.2	138.6	-178.2	-63.6	-88.9	134.9	0	0	112.5	K586 Q587 T597 V600	K586-E589 HydrophobicContact CB-CG 3.5Å; K586-E589 HydrophobicContact CD-CG 4.13Å; K586-E589 WeakPolarHBondContact CD-OE2 3.49Å; K586-E589 HydrophobicContact CG-CG 4.32Å; K586-E589 IonicContact NZ-OE1 3.91Å; K586-E589 PolarHBondContact NZ-OE1 2.7Å; K586-E589 IonicContact NZ-OE2 3.1Å; K586-E589 PolarHBondContact NZ-OE2 2.93Å; Q587-E589 PolarHBondContact O-N 2.99Å; Q587-E589 VanDerWaalsContact O-N 3.15Å; E589-T597 PolarHBondContact O-N 3.2Å; E589-T597 PolarHBondContact O-OG1 3.05Å; E589-V600 HydrophobicContact CB-CG2 4.17Å; E589-V600 HydrophobicContact CG-CG2 4.27Å
590	V	85.9	Confident	86.4	Confident	70 Å²	70	44.5 Å²	44.5	42%	0.424	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.3	172.5	-179.4	0	0	0	0	109.4	Y596	V590-Y596 HydrophobicContact CG2-CD1 3.59Å; V590-Y596 HydrophobicContact CG2-CE1 3.31Å
591	L	84.8	Confident	86.5	Confident	16 Å²	16	42.3 Å²	42.3	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.6	176.6	-59.9	-174.8	0	0	0	111.3	G594 Y595 T597 I795 L822 Y827	L591-G594 CarbonylContact O-C 3.59Å; L591-G594 WeakPolarHBondContact O-CA 3.13Å; L591-G594 PolarHBondContact O-N 2.72Å; L591-Y595 PolarHBondContact N-O 3.01Å; L591-Y595 PolarHBondContact O-N 3.48Å; L591-T597 HydrophobicContact CD1-CG2 3.75Å; L591-T597 HydrophobicContact CG-CG2 4.04Å; L591-I795 HydrophobicContact CD1-CD1 3.76Å; L591-L822 HydrophobicContact CB-CD2 4.2Å; L591-L822 HydrophobicContact CD1-CD2 3.89Å; L591-Y827 HydrophobicContact CD1-CD1 4.36Å; L591-Y827 HydrophobicContact CD1-CD2 4.44Å; L591-Y827 HydrophobicContact CD1-CE1 3.88Å; L591-Y827 HydrophobicContact CD1-CE2 3.96Å
592	P	75.5	Confident	86.7	Confident	87 Å²	87	44.3 Å²	44.3	57%	0.565	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	141.4	175.9	-27.5	35.3	0	0	0	112.6	G594 L825	P592-G594 VanDerWaalsContact C-N 3.33Å; P592-L825 WeakPolarHBondContact O-CD1 3.35Å
593	P	76.1	Confident	87	Confident	23 Å²	23	38.3 Å²	38.3	15%	0.149	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.9	21	0.8	36.5	-38.1	0	0	0	115.1	L527 A530 Y595	L527-P593 HydrophobicContact CD1-CG 3.66Å; A530-P593 HydrophobicContact CB-CB 3.46Å; A530-P593 VanDerWaalsContact CB-CB 3.46Å; A530-P593 HydrophobicContact CB-CG 3.72Å; P593-Y595 HydrophobicContact CG-CE2 4.24Å
594	G	79.9	Confident	87.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	136.3	15.5	178	0	0	0	0	0	114.7	F553 L591 P592	F553-G594 WeakPolarHBondContact CD2-O 3.46Å; L591-G594 CarbonylContact O-C 3.59Å; L591-G594 WeakPolarHBondContact O-CA 3.13Å; L591-G594 PolarHBondContact O-N 2.72Å; P592-G594 VanDerWaalsContact C-N 3.33Å
595	Y	85.4	Confident	86.8	Confident	10 Å²	10	33.8 Å²	33.8	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.2	-176.7	-68.1	-52.8	0	0	0	112.5	L527 F553 L591 P593 R818 H821 L822	L527-Y595 HydrophobicContact CD1-CE1 4.3Å; L527-Y595 WeakPolarHBondContact CD1-OH 3.27Å; F553-Y595 AromaticContact CE2-CD1 3.95Å; F553-Y595 HydrophobicContact CE2-CD1 3.95Å; F553-Y595 HydrophobicContact CE2-CE1 4.26Å; L591-Y595 PolarHBondContact N-O 3.01Å; L591-Y595 PolarHBondContact O-N 3.48Å; P593-Y595 HydrophobicContact CG-CE2 4.24Å; Y595-R818 HydrophobicContact CD1-CB 4.13Å; Y595-R818 HydrophobicContact CD1-CG 3.64Å; Y595-R818 HydrophobicContact CD2-CG 3.98Å; Y595-R818 HydrophobicContact CE1-CB 3.93Å; Y595-R818 HydrophobicContact CE1-CG 3.95Å; Y595-R818 HydrophobicContact CE2-CG 4.27Å; Y595-R818 HydrophobicContact CG-CB 4.49Å; Y595-R818 HydrophobicContact CG-CG 3.63Å; Y595-H821 HydrophobicContact CE2-CB 3.66Å; Y595-H821 AromaticContact CE2-CG 3.97Å; Y595-H821 AromaticContact CE2-ND1 3.67Å; Y595-H821 AromaticContact CZ-ND1 3.82Å; Y595-H821 PolarHBondContact OH-CE1 2.96Å; Y595-H821 PolarHBondContact OH-ND1 3.22Å; Y595-H821 VanDerWaalsContact OH-ND1 3.07Å; Y595-L822 HydrophobicContact CD2-CD2 4.5Å; Y595-L822 HydrophobicContact CD2-CG 4.48Å
596	Y	84.2	Confident	86.3	Confident	74 Å²	74	35.7 Å²	35.7	29%	0.29	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.1	164.6	-69.4	-70.6	0	0	0	111.4	F553 T558 V590 R818	F553-Y596 HydrophobicContact CB-CD2 4.15Å; F553-Y596 HydrophobicContact CB-CE2 3.67Å; F553-Y596 PolarHBondContact O-OH 3.25Å; T558-Y596 HydrophobicContact CG2-CD2 3.99Å; T558-Y596 HydrophobicContact CG2-CE2 3.86Å; V590-Y596 HydrophobicContact CG2-CD1 3.59Å; V590-Y596 HydrophobicContact CG2-CE1 3.31Å; Y596-R818 PolarHBondContact O-NH1 3.39Å; Y596-R818 VanDerWaalsContact O-NH1 3.16Å
597	T	88.1	Confident	85.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.			trans	-122.7	145.6	174.5	57.7	0	0	0	0	110	D588 E589 L591 V600 I795 L822	D588-T597 WeakPolarHBondContact CA-O 3.41Å; D588-T597 PolarHBondContact N-O 3.05Å; E589-T597 PolarHBondContact O-N 3.2Å; E589-T597 PolarHBondContact O-OG1 3.05Å; L591-T597 HydrophobicContact CD1-CG2 3.75Å; L591-T597 HydrophobicContact CG-CG2 4.04Å; T597-V600 WeakPolarHBondContact OG1-CG2 3.38Å; T597-I795 HydrophobicContact CG2-CD1 4.01Å; T597-I795 HydrophobicContact CG2-CG2 4.08Å; T597-L822 HydrophobicContact CG2-CD1 4.07Å; T597-L822 HydrophobicContact CG2-CD2 4.4Å
598	D	90.9	Very high	85.4	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-78.7	-54.1	-171.7	-54.8	-63.4	0	0	0	110.8	K569 Q587 D588 L796 V798 R815	K569-D598 HydrophobicContact CD-CB 4.26Å; K569-D598 WeakPolarHBondContact CE-OD1 3.39Å; K569-D598 IonicContact NZ-OD1 2.73Å; K569-D598 PolarHBondContact NZ-OD1 3.13Å; Q587-D598 WeakPolarHBondContact CA-O 3.35Å; Q587-D598 WeakPolarHBondContact CG-O 3.44Å; D588-D598 PolarHBondContact N-O 3.3Å; D588-D598 VanDerWaalsContact N-O 3.12Å; D598-L796 WeakPolarHBondContact CB-O 3.41Å; D598-V798 HydrophobicContact CB-CB 4.36Å; D598-V798 HydrophobicContact CB-CG2 4.19Å; D598-V798 PolarHBondContact OD2-N 2.79Å; D598-R815 IonicContact OD2-CZ 3.91Å; D598-R815 IonicContact OD2-NH2 3.34Å; D598-R815 PolarHBondContact OD2-NH2 3.06Å
599	F	93.6	Very high	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.8	169.7	-46.8	-89.6	0	0	0	111.5	K569 V572 A573 L576 Y585 K586 Q587 L601 I795 L796 V798	K569-F599 HydrophobicContact CG-CE2 4.2Å; K569-F599 HydrophobicContact CG-CZ 4.01Å; V572-F599 HydrophobicContact CB-CE2 4.11Å; V572-F599 HydrophobicContact CB-CZ 4.37Å; V572-F599 HydrophobicContact CG1-CD2 4.13Å; V572-F599 HydrophobicContact CG1-CE2 3.49Å; V572-F599 VanDerWaalsContact CG1-CE2 3.49Å; V572-F599 HydrophobicContact CG1-CZ 4.04Å; A573-F599 HydrophobicContact CB-CE1 3.67Å; A573-F599 HydrophobicContact CB-CZ 3.72Å; L576-F599 HydrophobicContact CD1-CB 4.13Å; L576-F599 HydrophobicContact CD1-CD1 3.76Å; L576-F599 HydrophobicContact CD1-CD2 3.81Å; L576-F599 HydrophobicContact CD1-CE1 4.08Å; L576-F599 HydrophobicContact CD1-CE2 4.15Å; L576-F599 HydrophobicContact CD1-CG 3.61Å; L576-F599 HydrophobicContact CD1-CZ 4.28Å; Y585-F599 AromaticContact CD2-CD1 3.73Å; Y585-F599 HydrophobicContact CD2-CD1 3.73Å; Y585-F599 AromaticContact CE2-CD1 3.8Å; Y585-F599 HydrophobicContact CE2-CD1 3.8Å; Y585-F599 HydrophobicContact CE2-CE1 4.14Å; K586-F599 CarbonylContact O-C 3.48Å; K586-F599 VanDerWaalsContact O-CA 3.26Å; K586-F599 WeakPolarHBondContact O-CA 3.47Å; Q587-F599 HydrophobicContact CB-CD1 4.03Å; Q587-F599 HydrophobicContact CB-CE1 4.25Å; Q587-F599 HydrophobicContact CG-CD1 3.81Å; Q587-F599 HydrophobicContact CG-CE1 3.63Å; Q587-F599 HydrophobicContact CG-CZ 4.49Å; F599-L601 HydrophobicContact CB-CD1 3.92Å; F599-I795 WeakPolarHBondContact O-CA 3.27Å; F599-L796 HydrophobicContact CB-CB 4.07Å; F599-L796 HydrophobicContact CD2-CB 4.27Å; F599-L796 PolarHBondContact N-O 2.94Å; F599-L796 VanDerWaalsContact N-O 3.16Å; F599-L796 PolarHBondContact O-N 2.69Å; F599-V798 HydrophobicContact CD2-CG2 4.42Å; F599-V798 HydrophobicContact CE2-CG2 3.84Å
600	V	93.8	Very high	85.3	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.8	176.2	-175	0	0	0	0	109.4	Y585 K586 E589 T597 I612 V794 I795	Y585-V600 CarbonylContact C-O 3.27Å; Y585-V600 WeakPolarHBondContact CA-O 3.24Å; K586-V600 HydrophobicContact CB-CB 4.43Å; K586-V600 PolarHBondContact N-O 3.49Å; K586-V600 PolarHBondContact O-N 2.94Å; E589-V600 HydrophobicContact CB-CG2 4.17Å; E589-V600 HydrophobicContact CG-CG2 4.27Å; T597-V600 WeakPolarHBondContact OG1-CG2 3.38Å; V600-I612 WeakPolarHBondContact O-CD1 3.46Å; V600-V794 WeakPolarHBondContact CA-O 3.41Å; V600-I795 HydrophobicContact CG2-CG1 4.48Å
601	L	93	Very high	85.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.9	-177.9	-69.7	75.8	0	0	0	109.9	L580 F599 V609 V794 L796 L854	L580-L601 HydrophobicContact CD1-CD2 3.56Å; F599-L601 HydrophobicContact CB-CD1 3.92Å; L601-V609 HydrophobicContact CD2-CG1 4.37Å; L601-V609 HydrophobicContact CD2-CG2 4.42Å; L601-V794 HydrophobicContact CB-CB 4.44Å; L601-V794 PolarHBondContact N-O 2.92Å; L601-V794 PolarHBondContact O-N 3.48Å; L601-L796 HydrophobicContact CD1-CB 4.34Å; L601-L796 HydrophobicContact CD1-CD1 4.12Å; L601-L796 HydrophobicContact CD1-CD2 4.32Å; L601-L796 HydrophobicContact CD1-CG 4.49Å; L601-L854 HydrophobicContact CD2-CD2 4.05Å
602	W	91.3	Very high	84.9	Confident	71 Å²	71	36.7 Å²	36.7	27%	0.269	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.5	173	-67.2	-1.7	0	0	0	108.8	V609 L610 I612 I791 R792	W602-V609 CarbonylContact O-C 3.35Å; W602-V609 WeakPolarHBondContact O-CA 3.35Å; W602-L610 HydrophobicContact CB-CB 4.22Å; W602-L610 PolarHBondContact O-N 2.84Å; W602-I612 HydrophobicContact CB-CG1 4.45Å; W602-I612 HydrophobicContact CD2-CD1 4.21Å; W602-I612 HydrophobicContact CD2-CG1 4.01Å; W602-I612 HydrophobicContact CE3-CG1 4.26Å; W602-I612 HydrophobicContact CG-CD1 4.02Å; W602-I612 HydrophobicContact CG-CG1 4.11Å; W602-I612 HydrophobicContact CH2-CG2 4.17Å; W602-I612 HydrophobicContact CZ2-CG2 4.17Å; W602-I612 HydrophobicContact CZ3-CG2 4.34Å; W602-I791 HydrophobicContact CB-CG2 3.83Å; W602-I791 HydrophobicContact CD2-CG2 4.31Å; W602-I791 HydrophobicContact CG-CG2 4.01Å; W602-R792 WeakPolarHBondContact CA-O 3.46Å
603	L	89.4	Confident	84.4	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.2	173.8	-55.8	-175.2	0	0	0	110.9	R608 V609 I791 R792 V794 V857 L859	L603-R608 CarbonylContact C-O 3.58Å; L603-R608 WeakPolarHBondContact CA-O 3.32Å; L603-V609 HydrophobicContact CD2-CB 4.24Å; L603-V609 HydrophobicContact CD2-CG2 3.63Å; L603-I791 CarbonylContact O-C 3.56Å; L603-I791 VanDerWaalsContact O-CA 3.31Å; L603-I791 WeakPolarHBondContact O-CA 3.37Å; L603-R792 HydrophobicContact CB-CB 4.4Å; L603-R792 PolarHBondContact N-O 3.21Å; L603-R792 PolarHBondContact O-N 3.13Å; L603-V794 HydrophobicContact CD1-CG2 3.77Å; L603-V794 HydrophobicContact CG-CG2 3.8Å; L603-V857 HydrophobicContact CD1-CB 4.12Å; L603-V857 HydrophobicContact CD1-CG1 3.78Å; L603-V857 HydrophobicContact CD1-CG2 4.42Å; L603-L859 HydrophobicContact CD1-CD2 4.43Å
604	D	87.1	Confident	82.9	Confident	19 Å²	19	48 Å²	48	10%	0.102	26%	0.256	C	S	.	.			trans	-79.2	171.5	162.2	75.1	14.4	0	0	0	112.3	S606 G607 R608 L610	D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 PolarHBondContact O-N 3.1Å; D604-S606 VanDerWaalsContact OD1-C 3.29Å; D604-S606 VanDerWaalsContact OD1-CA 3.28Å; D604-S606 WeakPolarHBondContact OD1-CA 3.48Å; D604-S606 WeakPolarHBondContact OD1-CB 3.47Å; D604-S606 PolarHBondContact OD1-N 2.74Å; D604-S606 PolarHBondContact OD1-OG 3.27Å; D604-S606 PolarHBondContact OD2-OG 3.39Å; D604-G607 PolarHBondContact O-N 3.24Å; D604-G607 PolarHBondContact OD1-N 2.75Å; D604-R608 PolarHBondContact N-O 3.45Å; D604-R608 PolarHBondContact OD1-N 2.88Å; D604-R608 IonicContact OD1-NE 3.9Å; D604-R608 IonicContact OD2-CZ 3.27Å; D604-R608 VanDerWaalsContact OD2-CZ 3.27Å; D604-R608 IonicContact OD2-NE 2.93Å; D604-R608 PolarHBondContact OD2-NE 2.91Å; D604-R608 IonicContact OD2-NH2 2.75Å; D604-R608 PolarHBondContact OD2-NH2 3.21Å; D604-L610 HydrophobicContact CB-CD1 4.18Å; D604-L610 HydrophobicContact CB-CD2 4.2Å; D604-L610 HydrophobicContact CB-CG 4.29Å
605	G	78.1	Confident	81	Confident	49 Å²	49	50.1 Å²	50.1	51%	0.505	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	4.3	176.9	0	0	0	0	0	115.4
606	S	79.7	Confident	78.4	Confident	63 Å²	63	56 Å²	56	44%	0.441	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	13	169.4	61.9	0	0	0	0	112.8	D604 R608	D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 PolarHBondContact O-N 3.1Å; D604-S606 VanDerWaalsContact OD1-C 3.29Å; D604-S606 VanDerWaalsContact OD1-CA 3.28Å; D604-S606 WeakPolarHBondContact OD1-CA 3.48Å; D604-S606 WeakPolarHBondContact OD1-CB 3.47Å; D604-S606 PolarHBondContact OD1-N 2.74Å; D604-S606 PolarHBondContact OD1-OG 3.27Å; D604-S606 PolarHBondContact OD2-OG 3.39Å; S606-R608 VanDerWaalsContact C-N 3.31Å; S606-R608 PolarHBondContact O-N 2.68Å; S606-R608 PolarHBondContact OG-NE 3Å; S606-R608 PolarHBondContact OG-NH2 2.73Å
607	G	79.3	Confident	75.8	Confident	27 Å²	27	56.3 Å²	56.3	28%	0.278	33%	0.329	S	S	.	.	S	Bend	trans	77.9	7.2	176.6	0	0	0	0	0	115.1	D604	D604-G607 PolarHBondContact O-N 3.24Å; D604-G607 PolarHBondContact OD1-N 2.75Å
608	R	83.6	Confident	73.2	Confident	164 Å²	164	62.9 Å²	62.9	62%	0.619	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-82.5	135.9	178.5	-62.1	179.1	-62.9	-133.6	-7	110.8	L603 D604 S606	L603-R608 CarbonylContact C-O 3.58Å; L603-R608 WeakPolarHBondContact CA-O 3.32Å; D604-R608 PolarHBondContact N-O 3.45Å; D604-R608 PolarHBondContact OD1-N 2.88Å; D604-R608 IonicContact OD1-NE 3.9Å; D604-R608 IonicContact OD2-CZ 3.27Å; D604-R608 VanDerWaalsContact OD2-CZ 3.27Å; D604-R608 IonicContact OD2-NE 2.93Å; D604-R608 PolarHBondContact OD2-NE 2.91Å; D604-R608 IonicContact OD2-NH2 2.75Å; D604-R608 PolarHBondContact OD2-NH2 3.21Å; S606-R608 VanDerWaalsContact C-N 3.31Å; S606-R608 PolarHBondContact O-N 2.68Å; S606-R608 PolarHBondContact OG-NE 3Å; S606-R608 PolarHBondContact OG-NH2 2.73Å
609	V	86.8	Confident	70.3	Confident	37 Å²	37	69.2 Å²	69.2	22%	0.224	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	133	174.9	-170.7	0	0	0	0	110.3	L580 S584 L601 W602 L603	L580-V609 HydrophobicContact CD1-CG1 4.45Å; L580-V609 HydrophobicContact CD1-CG2 4.12Å; L580-V609 HydrophobicContact CD2-CG2 3.87Å; S584-V609 VanDerWaalsContact O-CG1 3.22Å; S584-V609 WeakPolarHBondContact O-CG1 3.24Å; L601-V609 HydrophobicContact CD2-CG1 4.37Å; L601-V609 HydrophobicContact CD2-CG2 4.42Å; W602-V609 CarbonylContact O-C 3.35Å; W602-V609 WeakPolarHBondContact O-CA 3.35Å; L603-V609 HydrophobicContact CD2-CB 4.24Å; L603-V609 HydrophobicContact CD2-CG2 3.63Å
610	L	85.5	Confident	67.3	Low	39 Å²	39	75 Å²	75	20%	0.204	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.1	179.1	-64.8	173.8	0	0	0	110.4	W602 D604 I612 I791	W602-L610 HydrophobicContact CB-CB 4.22Å; W602-L610 PolarHBondContact O-N 2.84Å; D604-L610 HydrophobicContact CB-CD1 4.18Å; D604-L610 HydrophobicContact CB-CD2 4.2Å; D604-L610 HydrophobicContact CB-CG 4.29Å; L610-I612 PolarHBondContact O-N 3.07Å; L610-I791 HydrophobicContact CD1-CD1 4.3Å; L610-I791 HydrophobicContact CD1-CG1 3.9Å; L610-I791 HydrophobicContact CD1-CG2 4.44Å
611	P	82.1	Confident	64.6	Low	80 Å²	80	80.9 Å²	80.9	52%	0.519	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-68.4	124.1	177.8	27.8	-34.1	0	0	0	110.8	H583 R613	H583-P611 CarbonylContact O-C 3.54Å; H583-P611 WeakPolarHBondContact O-CA 3.41Å; P611-R613 PolarHBondContact O-N 2.99Å
612	I	80.4	Confident	61.6	Low	11 Å²	11	85.3 Å²	85.3	6%	0.056	51%	0.507	C	S	.	.			trans	-87.9	93.2	-178.5	-50.9	-179.5	0	0	0	108.3	H583 K586 V600 W602 L610 S614	H583-I612 PolarHBondContact O-N 2.91Å; K586-I612 HydrophobicContact CD-CD1 4.44Å; K586-I612 HydrophobicContact CD-CG2 3.91Å; K586-I612 HydrophobicContact CG-CD1 4.34Å; K586-I612 HydrophobicContact CG-CG2 4.22Å; V600-I612 WeakPolarHBondContact O-CD1 3.46Å; W602-I612 HydrophobicContact CB-CG1 4.45Å; W602-I612 HydrophobicContact CD2-CD1 4.21Å; W602-I612 HydrophobicContact CD2-CG1 4.01Å; W602-I612 HydrophobicContact CE3-CG1 4.26Å; W602-I612 HydrophobicContact CG-CD1 4.02Å; W602-I612 HydrophobicContact CG-CG1 4.11Å; W602-I612 HydrophobicContact CH2-CG2 4.17Å; W602-I612 HydrophobicContact CZ2-CG2 4.17Å; W602-I612 HydrophobicContact CZ3-CG2 4.34Å; L610-I612 PolarHBondContact O-N 3.07Å; I612-S614 PolarHBondContact O-N 3.42Å
613	R	63.4	Low	58.7	Low	220 Å²	220	89.2 Å²	89.2	83%	0.83	53%	0.531	S	S	*	.			trans	-65.2	122.6	-180	-68.6	-174.7	176.3	-170.6	-1.9	111.3	P611 G615	P611-R613 PolarHBondContact O-N 2.99Å; R613-G615 PolarHBondContact O-N 2.96Å
614	S	45.5	Very low	55.6	Low	127 Å²	127	94.6 Å²	94.6	89%	0.888	56%	0.564	S	S	*	*			trans	-68.8	87	173.7	-59.9	0	0	0	0	112	I612	I612-S614 PolarHBondContact O-N 3.42Å
615	G	39.1	Very low	52.9	Low	45 Å²	45	97.8 Å²	97.8	46%	0.464	58%	0.584	S	S	.	*	S	Bend	trans	-142.2	166.9	167.8	0	0	0	0	0	110.7	R613 C617	R613-G615 PolarHBondContact O-N 2.96Å; G615-C617 PolarHBondContact O-N 2.97Å
616	P	31.1	Very low	50.4	Low	134 Å²	134	101.2 Å²	101.2	87%	0.87	60%	0.596	S	S	*	*			trans	-69.4	94.1	178.2	28.4	-34	0	0	0	110.5	V618	P616-V618 PolarHBondContact O-N 3.2Å; P616-V618 VanDerWaalsContact O-N 3.13Å
617	C	31.3	Very low	47.9	Very low	80 Å²	80	104.5 Å²	104.5	54%	0.541	61%	0.613	S	S	.	*			trans	-67.9	108	177.2	-70.7	0	0	0	0	111.1	G615 H619	G615-C617 PolarHBondContact O-N 2.97Å; C617-H619 PolarHBondContact O-N 2.93Å; C617-H619 VanDerWaalsContact O-N 3.16Å
618	V	31.6	Very low	45.4	Very low	138 Å²	138	113.1 Å²	113.1	84%	0.836	64%	0.643	S	S	*	*			trans	-63	113	160.6	179.8	0	0	0	0	107.6	P616 P620	P616-V618 PolarHBondContact O-N 3.2Å; P616-V618 VanDerWaalsContact O-N 3.13Å; V618-P620 WeakPolarHBondContact O-CD 3.5Å
619	H	30.4	Very low	42.6	Very low	142 Å²	142	110.3 Å²	110.3	66%	0.657	65%	0.648	S	S	*	*			trans	-66.9	126.5	178.8	-82.4	-107.9	0	0	0	111	C617 S621	C617-H619 PolarHBondContact O-N 2.93Å; C617-H619 VanDerWaalsContact O-N 3.16Å; H619-S621 PolarHBondContact O-N 3.39Å
620	P	31.6	Very low	39.9	Very low	123 Å²	123	113.4 Å²	113.4	80%	0.799	68%	0.678	S	S	*	*	S	Bend	trans	-70	114.2	161	-12.6	29	0	0	0	108.6	V618	V618-P620 WeakPolarHBondContact O-CD 3.5Å
621	S	37.3	Very low	37.4	Very low	129 Å²	129	115.9 Å²	115.9	90%	0.902	70%	0.704	S	S	*	*	S	Bend	trans	49.1	70.7	164.3	-56.9	0	0	0	0	116.9	H619	H619-S621 PolarHBondContact O-N 3.39Å
622	C	28.5	Very low	35	Very low	93 Å²	93	115.7 Å²	115.7	63%	0.628	72%	0.716	S	S	*	*			trans	-129	147.9	152.1	-163.8	0	0	0	0	108.8	T624	C622-T624 PolarHBondContact O-N 3.33Å
623	I	31.4	Very low	32.6	Very low	153 Å²	153	118.6 Å²	118.6	79%	0.785	74%	0.742	S	S	*	*			trans	-63.5	118.5	-168.8	-62.4	174.5	0	0	0	110.3	V625	I623-V625 PolarHBondContact O-N 2.93Å
624	T	25.1	Very low	31	Very low	114 Å²	114	115 Å²	115	70%	0.699	74%	0.744	S	S	*	*			trans	-79.8	98.7	-177.8	50	0	0	0	0	111.8	C622 T626	C622-T624 PolarHBondContact O-N 3.33Å; T624-T626 PolarHBondContact O-N 3.4Å
625	V	29.7	Very low	30.4	Very low	85 Å²	85	113.4 Å²	113.4	52%	0.515	74%	0.739	S	S	.	*			trans	-71.5	106	150.8	178.8	0	0	0	0	106.8	I623 T627	I623-V625 PolarHBondContact O-N 2.93Å; V625-T627 PolarHBondContact O-N 3.37Å
626	T	24.9	Very low	30.1	Very low	122 Å²	122	115.1 Å²	115.1	75%	0.748	75%	0.748	S	S	*	*			trans	-75.9	92.7	-172.6	52.9	0	0	0	0	112.1	T624 K628	T624-T626 PolarHBondContact O-N 3.4Å; T626-K628 PolarHBondContact O-N 3.19Å
627	T	27.3	Very low	30	Very low	131 Å²	131	114 Å²	114	80%	0.804	74%	0.739	S	S	*	*			trans	-76.4	116.7	161.2	46.6	0	0	0	0	109.4	V625 S629	V625-T627 PolarHBondContact O-N 3.37Å; T627-S629 PolarHBondContact O-N 3.09Å; T627-S629 VanDerWaalsContact O-N 3.13Å
628	K	26.1	Very low	30	Very low	208 Å²	208	116.5 Å²	116.5	90%	0.904	75%	0.752	S	S	*	*			trans	-67.1	110.5	169.1	-87.9	-173.9	173	-178.5	0	108.6	T626 A630	T626-K628 PolarHBondContact O-N 3.19Å; K628-A630 PolarHBondContact O-N 3.46Å
629	S	25.7	Very low	30	Very low	106 Å²	106	114.2 Å²	114.2	74%	0.741	75%	0.747	S	S	*	*			trans	-65.4	121.5	170.1	-179.7	0	0	0	0	110	T627 A631	T627-S629 PolarHBondContact O-N 3.09Å; T627-S629 VanDerWaalsContact O-N 3.13Å; S629-A631 PolarHBondContact O-N 3.35Å; S629-A631 WeakPolarHBondContact OG-CB 3.48Å
630	A	31	Very low	30.1	Very low	101 Å²	101	115.9 Å²	115.9	84%	0.835	76%	0.755	S	S	*	*			trans	-79.3	37.3	176.4	0	0	0	0	0	112.7	K628 G632	K628-A630 PolarHBondContact O-N 3.46Å; A630-G632 VanDerWaalsContact C-N 3.34Å; A630-G632 PolarHBondContact O-N 3.03Å
631	A	31.2	Very low	29.9	Very low	91 Å²	91	117.4 Å²	117.4	75%	0.752	76%	0.756	S	S	*	*			trans	-89.8	64	179.8	0	0	0	0	0	111.2	S629	S629-A631 PolarHBondContact O-N 3.35Å; S629-A631 WeakPolarHBondContact OG-CB 3.48Å
632	G	32	Very low	29.5	Very low	76 Å²	76	120.4 Å²	120.4	78%	0.784	76%	0.756	S	S	*	*	S	Bend	trans	-159.3	17.4	-173.6	0	0	0	0	0	116.7	A630	A630-G632 VanDerWaalsContact C-N 3.34Å; A630-G632 PolarHBondContact O-N 3.03Å
633	A	30.3	Very low	29.4	Very low	72 Å²	72	120.9 Å²	120.9	60%	0.595	76%	0.759	S	S	*	*	S	Bend	trans	-130.6	7.3	-170.5	0	0	0	0	0	115.6
634	V	30.5	Very low	29	Very low	144 Å²	144	123.3 Å²	123.3	87%	0.873	76%	0.764	S	S	*	*	S	Bend	trans	-124.7	22.5	-173.7	-155.5	0	0	0	0	112.8
635	A	32.9	Very low	29.1	Very low	94 Å²	94	123.6 Å²	123.6	78%	0.777	77%	0.771	S	S	*	*	S	Bend	trans	-134.4	8.7	178.1	0	0	0	0	0	113.7
636	A	31.8	Very low	28.9	Very low	81 Å²	81	124.4 Å²	124.4	67%	0.669	78%	0.778	S	S	*	*	S	Bend	trans	-133.9	9.1	-173.4	0	0	0	0	0	114.2
637	V	30	Very low	28.9	Very low	112 Å²	112	128.1 Å²	128.1	68%	0.679	78%	0.784	S	S	*	*	S	Bend	trans	-128.8	37.6	179.1	-157.7	0	0	0	0	111.2
638	T	31.5	Very low	28.8	Very low	131 Å²	131	128.5 Å²	128.5	80%	0.804	79%	0.787	S	S	*	*	S	Bend	trans	-124.3	9.5	172.5	39.1	0	0	0	0	112.6
639	A	30.9	Very low	28.9	Very low	90 Å²	90	122.6 Å²	122.6	74%	0.744	78%	0.777	S	S	*	*	S	Bend	trans	-113	-13.4	-178.8	0	0	0	0	0	114.7
640	E	31.7	Very low	29.7	Very low	177 Å²	177	122.1 Å²	122.1	83%	0.827	77%	0.771	S	S	*	*	S	Bend	trans	-113.5	13.1	-174.3	-64.5	-164.8	139.4	0	0	114.6
641	L	28.1	Very low	29.6	Very low	156 Å²	156	126 Å²	126	82%	0.817	77%	0.772	S	S	*	*			trans	-119.1	39.6	172.7	-72.5	174.9	0	0	0	112.7
642	Q	28.3	Very low	29.5	Very low	192 Å²	192	129.3 Å²	129.3	90%	0.897	78%	0.777	S	S	*	*			trans	-123.4	53.9	161.9	-72.9	-164.9	-16.7	0	0	111.6
643	C	26.7	Very low	29.3	Very low	103 Å²	103	128.5 Å²	128.5	70%	0.696	77%	0.768	S	S	*	*			trans	-136.3	150.9	161.6	-93.8	0	0	0	0	109.1
644	F	23.9	Very low	29.1	Very low	203 Å²	203	128.9 Å²	128.9	89%	0.89	78%	0.78	S	S	*	*			trans	68.2	65.6	-178.9	-49.9	-72.2	0	0	0	117
645	S	25.9	Very low	28.8	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	78%	0.778	S	S	*	*			trans	-109.1	126.8	134.6	-80.5	0	0	0	0	108.6
646	P	25.6	Very low	29.7	Very low	102 Å²	102	129.7 Å²	129.7	66%	0.662	77%	0.771	S	S	*	*			trans	-80	172.3	173.8	33.3	-34.2	0	0	0	112.1
647	F	25.6	Very low	29.4	Very low	199 Å²	199	131.4 Å²	131.4	87%	0.873	78%	0.778	S	S	*	*			trans	82.6	100.8	178.7	-52.1	-69.9	0	0	0	116.7
648	T	26.2	Very low	29.2	Very low	140 Å²	140	131.4 Å²	131.4	86%	0.859	78%	0.783	S	S	*	*			trans	-73.2	174.2	154.3	51.9	0	0	0	0	109.6
649	A	28	Very low	30.1	Very low	84 Å²	84	130.7 Å²	130.7	69%	0.694	78%	0.781	S	S	*	*			cis	-155.3	-160.1	22.8	0	0	0	0	0	110.4
650	P	41.1	Very low	29.9	Very low	96 Å²	96	130.8 Å²	130.8	62%	0.623	78%	0.782	S	S	*	*				-133.1	-167	-82.4	43	-26.1	0	0	0	113.9
651	E	29.1	Very low	29.7	Very low	182 Å²	182	126 Å²	126	85%	0.85	77%	0.773	S	S	*	*			trans	66.7	146.5	158.2	-73	159.2	-150	0	0	117.4
652	D	28.9	Very low	29.6	Very low	161 Å²	161	126.8 Å²	126.8	86%	0.861	78%	0.778	S	S	*	*			cis	-161.3	160.4	-18.7	-168.5	53.2	0	0	0	106.5
653	G	28	Very low	29.5	Very low	58 Å²	58	121.4 Å²	121.4	60%	0.598	77%	0.774	S	S	*	*			cis	173.8	-152.8	4.4	0	0	0	0	0	110.6
654	G	26.8	Very low	29.5	Very low	81 Å²	81	121.8 Å²	121.8	84%	0.835	78%	0.784	S	S	*	*			trans	81.9	67.6	157.3	0	0	0	0	0	119.4
655	D	24.4	Very low	29.6	Very low	156 Å²	156	116 Å²	116	83%	0.834	78%	0.782	S	S	*	*			trans	-81.2	172.3	153	-142.9	9.3	0	0	0	109.1
656	P	51.9	Low	29.6	Very low	98 Å²	98	114.3 Å²	114.3	64%	0.636	78%	0.783	S	S	*	*			cis	-130.7	-175.4	-18.6	41.5	-26.2	0	0	0	113
657	S	26	Very low	29.8	Very low	117 Å²	117	113.6 Å²	113.6	82%	0.818	79%	0.786	S	S	*	*				166.1	138.4	116.6	49.6	0	0	0	0	115.9
658	S	25.4	Very low	29.9	Very low	112 Å²	112	110.1 Å²	110.1	78%	0.783	78%	0.781	S	S	*	*			trans	-96.4	-166.2	169.9	-26	0	0	0	0	110
659	P	49	Very low	30.1	Very low	116 Å²	116	112 Å²	112	75%	0.753	78%	0.781	S	S	*	*			cis	-135.8	-162.6	-17.9	36.1	-15.3	0	0	0	113
660	A	27	Very low	30.1	Very low	93 Å²	93	114 Å²	114	77%	0.769	78%	0.779	S	S	*	*			trans	74.8	154.1	142.5	0	0	0	0	0	120
661	A	28.1	Very low	29.6	Very low	76 Å²	76	119 Å²	119	63%	0.628	79%	0.786	S	S	*	*			cis	-169.4	170.9	-22.6	0	0	0	0	0	110.8
662	N	26.6	Very low	29.6	Very low	173 Å²	173	114.5 Å²	114.5	93%	0.925	78%	0.779	S	S	*	*			trans	69.2	148.9	160.2	-57.1	-26.2	0	0	0	118.9
663	G	25.7	Very low	29.4	Very low	79 Å²	79	116.8 Å²	116.8	81%	0.814	78%	0.782	S	S	*	*			trans	154.1	75.7	168.1	0	0	0	0	0	114.9
664	A	27.1	Very low	29.5	Very low	110 Å²	110	124.8 Å²	124.8	91%	0.909	79%	0.794	S	S	*	*			trans	-73.2	151	-173.4	0	0	0	0	0	116
665	G	25.7	Very low	30.2	Very low	83 Å²	83	126.9 Å²	126.9	86%	0.856	79%	0.793	S	S	*	*			trans	109.7	159.5	139.6	0	0	0	0	0	118.6
666	G	26.5	Very low	30.2	Very low	84 Å²	84	130.4 Å²	130.4	87%	0.866	80%	0.795	S	S	*	*			trans	107.9	81.7	154.2	0	0	0	0	0	118
667	A	28.1	Very low	30.6	Very low	87 Å²	87	131.1 Å²	131.1	72%	0.719	80%	0.799	S	S	*	*			trans	-40.3	159.7	169	0	0	0	0	0	120.4
668	T	28.2	Very low	31.9	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	79%	0.794	S	S	*	*			trans	78.9	120.3	141.4	42.3	0	0	0	0	124
669	E	29.6	Very low	32.2	Very low	181 Å²	181	135 Å²	135	85%	0.846	80%	0.802	S	S	*	*			trans	81.3	100.2	132.3	-65.4	-169.1	146.7	0	0	124.8
670	D	28.6	Very low	31.3	Very low	124 Å²	124	133.1 Å²	133.1	66%	0.663	80%	0.803	S	S	*	*				88.2	150.9	113.6	-158.7	37.1	0	0	0	122.8
671	R	30.5	Very low	32.5	Very low	203 Å²	203	134.6 Å²	134.6	77%	0.766	81%	0.805	S	S	*	*			trans	73.9	86.4	157.7	-99.2	170.4	174.8	90	-5.4	121.6
672	A	30.3	Very low	32.5	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	82%	0.821	S	S	*	*				43.9	142.4	110.8	0	0	0	0	0	122.1
673	F	23.8	Very low	32.5	Very low	209 Å²	209	135.9 Å²	135.9	92%	0.917	81%	0.813	S	S	*	*				-163.5	172.9	109.5	-121.1	-95.2	0	0	0	113.5
674	R	30.1	Very low	32.6	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	81%	0.812	S	S	*	*			trans	-111.8	168.3	179.5	-115.3	-179.7	-179.2	-174.4	2.1	109.6
675	P	40.8	Very low	32.6	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	80%	0.802	S	S	*	*				-157.8	-172.6	58	42.7	-18.9	0	0	0	120.1
676	R	25.5	Very low	32.6	Very low	230 Å²	230	142.3 Å²	142.3	87%	0.868	80%	0.803	S	S	*	*			trans	-65.2	-175	170	-103.1	175.8	171.2	-179.7	-4.8	115.2
677	P	59.2	Low	32.6	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	80%	0.802	S	S	*	*			cis	-128	-135.6	-13.7	37.6	-14.8	0	0	0	110.6
678	P	54.4	Low	32.4	Very low	110 Å²	110	141.8 Å²	141.8	71%	0.714	81%	0.806	S	S	*	*			cis	-134.6	174.1	-25.8	39	-19.5	0	0	0	118.2
679	E	31.1	Very low	32.8	Very low	201 Å²	201	141.5 Å²	141.5	94%	0.939	81%	0.806	S	S	*	*			trans	21.7	140.6	147.7	-65.3	176.2	-173.8	0	0	126.9
680	G	30	Very low	32.6	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	81%	0.805	S	S	*	*			trans	157.1	117.2	160.3	0	0	0	0	0	115.3
681	P	51.8	Low	32.4	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	81%	0.812	S	S	*	*			trans	-121	151	-171.7	40.1	-30.1	0	0	0	117.5
682	L	28.5	Very low	32.1	Very low	183 Å²	183	143.1 Å²	143.1	96%	0.958	82%	0.819	S	S	*	*			trans	-149.1	170.6	161.4	-81.7	-176.9	0	0	0	111.1
683	A	27.3	Very low	31.8	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	81%	0.814	S	S	*	*			trans	-143.8	177.2	-176.8	0	0	0	0	0	112.2
684	V	27.3	Very low	32.5	Very low	130 Å²	130	137.2 Å²	137.2	79%	0.788	81%	0.805	S	S	*	*			trans	128.2	113.4	156.2	172.4	0	0	0	0	116.4
685	T	27.1	Very low	32.2	Very low	115 Å²	115	137.2 Å²	137.2	71%	0.706	81%	0.807	S	S	*	*			trans	61.8	133	152.8	54.6	0	0	0	0	125.8
686	D	26.2	Very low	31.3	Very low	162 Å²	162	141.5 Å²	141.5	87%	0.866	81%	0.808	S	S	*	*			trans	72.1	132.1	135.6	-62.2	-3.1	0	0	0	123.7
687	G	26.3	Very low	31.2	Very low	83 Å²	83	134.7 Å²	134.7	86%	0.856	80%	0.801	S	S	*	*			trans	130.1	113.4	168.8	0	0	0	0	0	114.4
688	G	23.7	Very low	29.8	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	81%	0.806	S	S	*	*			trans	-116.6	-167.6	165.3	0	0	0	0	0	111.2
689	P	36.4	Very low	28.3	Very low	120 Å²	120	135 Å²	135	78%	0.779	81%	0.811	S	S	*	*			cis	-134.4	-160.8	6	33.7	-10.3	0	0	0	114
690	L	25.3	Very low	28	Very low	158 Å²	158	129.3 Å²	129.3	83%	0.827	80%	0.799	S	S	*	*			trans	83.7	90.2	164.8	-55.8	178.7	0	0	0	119.8
691	D	24.4	Very low	27.7	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	80%	0.798	S	S	*	*				43.2	115.5	116.5	-152.5	9.2	0	0	0	120.9
692	Y	24.6	Very low	26.5	Very low	234 Å²	234	136.4 Å²	136.4	92%	0.918	80%	0.798	S	S	*	*			trans	-158.4	131	160	-122	-90	0	0	0	109.4
693	G	23.6	Very low	26.2	Very low	59 Å²	59	137.8 Å²	137.8	61%	0.608	79%	0.792	S	S	*	*			trans	-106	-169.8	161.5	0	0	0	0	0	111.1
694	P	39.2	Very low	26	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	80%	0.798	S	S	*	*			cis	-120	-169.4	-7.3	41.6	-28	0	0	0	111.6
695	Y	23.2	Very low	26	Very low	226 Å²	226	137.4 Å²	137.4	89%	0.886	79%	0.794	S	S	*	*				175.7	-177.4	128.4	-105.6	-75.3	0	0	0	112.5
696	Y	22.1	Very low	25.9	Very low	216 Å²	216	140 Å²	140	85%	0.847	80%	0.803	S	S	*	*			trans	-122.5	128.6	-153.8	-141.4	-97.8	0	0	0	113.3
697	A	23.3	Very low	25.8	Very low	86 Å²	86	136.5 Å²	136.5	71%	0.711	80%	0.796	S	S	*	*			trans	59.8	178.4	154.8	0	0	0	0	0	118.1
698	P	30.6	Very low	26	Very low	130 Å²	130	143 Å²	143	84%	0.844	80%	0.801	S	S	*	*			cis	-121.7	-173.2	-9.4	41.9	-27	0	0	0	114.3
699	A	22.3	Very low	26	Very low	100 Å²	100	148 Å²	148	83%	0.826	80%	0.804	S	S	*	*			trans	-104.7	166.3	-179.4	0	0	0	0	0	113.6
700	A	24.1	Very low	25.4	Very low	81 Å²	81	147.7 Å²	147.7	67%	0.669	80%	0.801	S	S	*	*			trans	-172.2	159.1	139	0	0	0	0	0	112.9
701	Q	25.2	Very low	25.5	Very low	163 Å²	163	146.1 Å²	146.1	76%	0.762	80%	0.804	S	S	*	*			trans	69.5	132.6	159.5	-68.1	167.7	42.4	0	0	117.5
702	F	25.3	Very low	25.5	Very low	188 Å²	188	144.8 Å²	144.8	83%	0.825	80%	0.801	S	S	*	*			cis	-140.5	162.4	0.1	-104.3	-67.9	0	0	0	111.9
703	Y	22.7	Very low	25.7	Very low	212 Å²	212	141 Å²	141	83%	0.831	79%	0.792	S	S	*	*			trans	-109.9	122.1	179.9	-126.2	-82.6	0	0	0	111.3
704	T	23.3	Very low	25.8	Very low	147 Å²	147	143.6 Å²	143.6	90%	0.902	80%	0.8	S	S	*	*			trans	-166.3	135.1	155.6	2.6	0	0	0	0	109.2
705	G	25.9	Very low	25.7	Very low	67 Å²	67	145.9 Å²	145.9	69%	0.691	80%	0.801	S	S	*	*			cis	-157.2	164.8	-4.1	0	0	0	0	0	110.9
706	L	25.1	Very low	25.7	Very low	171 Å²	171	142.1 Å²	142.1	90%	0.895	80%	0.796	S	S	*	*			trans	-84	135.1	-171.5	-80.6	156.8	0	0	0	113.4
707	A	24.7	Very low	25.9	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	79%	0.791	S	S	*	*			trans	-118.4	139.6	153.7	0	0	0	0	0	108.3	E709	A707-E709 PolarHBondContact O-N 3.37Å
708	K	30.5	Very low	26	Very low	220 Å²	220	138.5 Å²	138.5	96%	0.957	80%	0.798	S	S	*	*			trans	-82.8	114.3	178	-71.5	-178.4	175.8	-178.2	0	109.8
709	E	24.8	Very low	25.7	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	79%	0.792	S	S	*	*			trans	-104.2	146.5	160.1	-65.9	-156.5	146.4	0	0	110.1	A707	A707-E709 PolarHBondContact O-N 3.37Å
710	P	23.8	Very low	25.6	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.5	146.8	-179.6	29.6	-34.9	0	0	0	111.5	V712	P710-V712 PolarHBondContact O-N 3.31Å
711	S	27	Very low	25.5	Very low	126 Å²	126	142.6 Å²	142.6	88%	0.881	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.3	117.2	-178	-168.2	0	0	0	0	112
712	V	24.6	Very low	25.7	Very low	122 Å²	122	140.5 Å²	140.5	74%	0.739	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-98.3	120.4	175.2	-179.9	0	0	0	0	108.8	P710 S714	P710-V712 PolarHBondContact O-N 3.31Å; V712-S714 PolarHBondContact O-N 2.99Å
713	E	27.4	Very low	25.7	Very low	154 Å²	154	137.2 Å²	137.2	72%	0.72	80%	0.8	S	S	*	*			trans	-69.2	93.3	173.1	-77.4	-167.5	118.6	0	0	110.7	Q715	E713-Q715 PolarHBondContact O-N 3.4Å
714	S	26.1	Very low	26.2	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	80%	0.795	S	S	*	*			trans	-75.5	84.2	172.1	64.9	0	0	0	0	111.1	V712 D716	V712-S714 PolarHBondContact O-N 2.99Å; S714-D716 PolarHBondContact O-N 3.38Å
715	Q	37.7	Very low	26.3	Very low	159 Å²	159	131.3 Å²	131.3	74%	0.743	79%	0.793	S	S	*	*			trans	-79.1	100	163.2	-70.2	-166	28.8	0	0	109.9	E713	E713-Q715 PolarHBondContact O-N 3.4Å
716	D	23.2	Very low	26.2	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	80%	0.8	S	S	*	*			trans	-159.2	166.8	163.2	-131.9	-34.3	0	0	0	112.8	S714	S714-D716 PolarHBondContact O-N 3.38Å
717	S	25.5	Very low	26.3	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	80%	0.795	S	S	*	*			trans	77.8	118.5	-172.1	-44.8	0	0	0	0	114.6
718	S	26.4	Very low	26.3	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	80%	0.8	S	S	*	*			cis	-144.8	149.8	6.3	-65.8	0	0	0	0	113.4
719	T	23.6	Very low	26.1	Very low	116 Å²	116	127.7 Å²	127.7	71%	0.712	79%	0.793	S	S	*	*			trans	-91.6	142.2	179.4	53.4	0	0	0	0	113.6
720	L	20.7	Very low	26.7	Very low	179 Å²	179	124.9 Å²	124.9	94%	0.937	79%	0.791	S	S	*	*			trans	-146.7	146	143.1	-76.7	-174.7	0	0	0	108.7
721	S	22.2	Very low	26.8	Very low	102 Å²	102	125 Å²	125	71%	0.713	79%	0.791	S	S	*	*			trans	-138.5	131.7	-159.6	-56.4	0	0	0	0	115.2
722	S	28.3	Very low	26.8	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	79%	0.791	S	S	*	*			trans	67.4	165.4	151.1	-60.6	0	0	0	0	117.1
723	P	26.4	Very low	27.1	Very low	120 Å²	120	124.7 Å²	124.7	78%	0.779	80%	0.798	S	S	*	*			cis	-121.8	179.5	11.1	42.5	-28.3	0	0	0	115.6
724	P	32.7	Very low	27.1	Very low	113 Å²	113	121.4 Å²	121.4	73%	0.734	80%	0.797	S	S	*	*			trans	-101.8	157.9	177	38.1	-33.1	0	0	0	114.1
725	S	25.5	Very low	27.2	Very low	122 Å²	122	122.2 Å²	122.2	85%	0.853	80%	0.8	S	S	*	*			trans	160.8	165.5	136	-72.5	0	0	0	0	112
726	D	23.6	Very low	26.8	Very low	157 Å²	157	126.3 Å²	126.3	84%	0.84	81%	0.808	S	S	*	*			trans	-86.4	160.5	-175.1	-87.3	-57.2	0	0	0	116.2
727	S	26.9	Very low	27	Very low	114 Å²	114	123 Å²	123	80%	0.797	81%	0.809	S	S	*	*			trans	81.1	102.8	153	-60.7	0	0	0	0	122.2
728	A	26.4	Very low	27.2	Very low	100 Å²	100	122.2 Å²	122.2	83%	0.826	80%	0.801	S	S	*	*				102.7	134.3	128	0	0	0	0	0	121.6
729	A	26.4	Very low	27.7	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	81%	0.806	S	S	*	*			trans	71.3	146.5	173	0	0	0	0	0	118.8
730	P	37.1	Very low	28.1	Very low	122 Å²	122	122 Å²	122	79%	0.792	79%	0.791	S	S	*	*			trans	-127.7	146.9	-157	39.2	-22.3	0	0	0	117.7
731	P	25.6	Very low	28.9	Very low	115 Å²	115	120 Å²	120	75%	0.747	78%	0.78	S	S	*	*			trans	-107.8	179.9	150.2	38.9	-28.9	0	0	0	110.8
732	P	26.6	Very low	29.4	Very low	133 Å²	133	118.9 Å²	118.9	86%	0.864	76%	0.763	S	S	*	*			trans	-73.1	165.5	-162.7	28.6	-35	0	0	0	115.6
733	A	31.8	Very low	29.7	Very low	108 Å²	108	117 Å²	117	89%	0.893	74%	0.741	S	S	*	*			trans	-80.6	143.5	-162.1	0	0	0	0	0	115.4
734	A	26	Very low	29.9	Very low	86 Å²	86	116.2 Å²	116.2	71%	0.711	73%	0.726	S	S	*	*			trans	-128.2	146.6	157.9	0	0	0	0	0	108.6
735	P	28.6	Very low	29.6	Very low	129 Å²	129	116.5 Å²	116.5	84%	0.838	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-74.6	139.4	-164.8	27.8	-34.9	0	0	0	113.9
736	R	29.2	Very low	30.1	Very low	245 Å²	245	114.3 Å²	114.3	93%	0.925	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-93	123	170.9	-66.5	179	177.6	174.3	-2	110.1
737	G	28.4	Very low	30.4	Very low	77 Å²	77	109.6 Å²	109.6	79%	0.794	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-74.5	143	175.2	0	0	0	0	0	113.2
738	P	29.5	Very low	30.5	Very low	90 Å²	90	113.1 Å²	113.1	58%	0.584	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-93.9	143.7	180	35	-34	0	0	0	114.3	S740	P738-S740 PolarHBondContact O-N 2.99Å; P738-S740 VanDerWaalsContact O-N 3.15Å
739	D	35.3	Very low	30.9	Very low	175 Å²	175	114.1 Å²	114.1	94%	0.936	69%	0.688	S	S	*	*			trans	-72.1	96.1	172.3	-101.8	-51.7	0	0	0	112.4
740	S	32.1	Very low	31.1	Very low	57 Å²	57	116.7 Å²	116.7	40%	0.399	69%	0.686	S	S	.	*			trans	-151.1	115.5	167.5	-178.4	0	0	0	0	112.1	P738 F742 Q743	P738-S740 PolarHBondContact O-N 2.99Å; P738-S740 VanDerWaalsContact O-N 3.15Å; S740-F742 PolarHBondContact O-N 2.86Å; S740-Q743 WeakPolarHBondContact O-CB 3.46Å; S740-Q743 PolarHBondContact O-N 3.23Å
741	L	38.7	Very low	30.8	Very low	137 Å²	137	118.6 Å²	118.6	72%	0.717	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	12.8	-177.6	-101.2	162	0	0	0	114.8
742	F	32.9	Very low	31	Very low	79 Å²	79	120.8 Å²	120.8	35%	0.346	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.2	18.7	165.1	-80.5	-73.3	0	0	0	112.5	F448 S740	F448-F742 HydrophobicContact CD1-CE2 4.25Å; F448-F742 AromaticContact CD2-CE2 3.81Å; F448-F742 HydrophobicContact CD2-CE2 3.81Å; F448-F742 HydrophobicContact CD2-CZ 4.07Å; F448-F742 AromaticContact CE1-CE2 3.81Å; F448-F742 HydrophobicContact CE1-CE2 3.81Å; F448-F742 HydrophobicContact CE1-CZ 4.37Å; F448-F742 AromaticContact CE2-CE2 3.36Å; F448-F742 HydrophobicContact CE2-CE2 3.36Å; F448-F742 AromaticContact CE2-CZ 3.29Å; F448-F742 HydrophobicContact CE2-CZ 3.29Å; F448-F742 HydrophobicContact CG-CE2 4.26Å; F448-F742 AromaticContact CZ-CE2 3.36Å; F448-F742 HydrophobicContact CZ-CE2 3.36Å; F448-F742 AromaticContact CZ-CZ 3.47Å; F448-F742 HydrophobicContact CZ-CZ 3.47Å; F448-F742 VanDerWaalsContact CZ-CZ 3.47Å; S740-F742 PolarHBondContact O-N 2.86Å
743	Q	34.8	Very low	31.2	Very low	79 Å²	79	124.1 Å²	124.1	37%	0.369	69%	0.694	S	S	.	*			trans	-119.6	90.8	179.9	-171.3	169.5	-6.3	0	0	109.5	S740	S740-Q743 WeakPolarHBondContact O-CB 3.46Å; S740-Q743 PolarHBondContact O-N 3.23Å
744	F	29.6	Very low	30.8	Very low	104 Å²	104	123 Å²	123	46%	0.456	69%	0.694	S	S	.	*			trans	-60.7	145.5	165.4	-59.6	-76.1	0	0	0	109.6	L557 I746	L557-F744 WeakPolarHBondContact O-CD1 3.44Å; L557-F744 WeakPolarHBondContact O-CE1 3.49Å; F744-I746 PolarHBondContact O-N 3.46Å
745	S	25.8	Very low	30.8	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	70%	0.7	S	S	*	*			trans	-76.1	84.6	-168.2	-53.2	0	0	0	0	112.9	G747	S745-G747 PolarHBondContact O-N 3.06Å
746	I	37.4	Very low	30.6	Very low	77 Å²	77	122.6 Å²	122.6	40%	0.395	70%	0.702	S	S	.	*			trans	-73.8	63.8	165.8	-47	170.5	0	0	0	109	L519 F744 I749	L519-I746 HydrophobicContact CD2-CD1 4.3Å; F744-I746 PolarHBondContact O-N 3.46Å; I746-I749 HydrophobicContact CG2-CB 4.49Å
747	G	29.6	Very low	30.3	Very low	57 Å²	57	115.9 Å²	115.9	59%	0.588	70%	0.699	S	S	*	*	S	Bend	trans	-120.4	8.7	179.7	0	0	0	0	0	113.6	S745	S745-G747 PolarHBondContact O-N 3.06Å
748	K	29.5	Very low	30.2	Very low	189 Å²	189	119.1 Å²	119.1	82%	0.822	70%	0.704	S	S	*	*	S	Bend	trans	-139.6	18.3	-175.4	-115.2	-167.7	177.3	-162.5	0	114.2
749	I	34.3	Very low	29.9	Very low	121 Å²	121	120.7 Å²	120.7	62%	0.621	72%	0.717	S	S	*	*	S	Bend	trans	-126.5	10.7	-174.6	-51.3	177.8	0	0	0	110.4	I746	I746-I749 HydrophobicContact CG2-CB 4.49Å
750	L	31.3	Very low	29.3	Very low	152 Å²	152	121.1 Å²	121.1	80%	0.796	71%	0.713	S	S	*	*	S	Bend	trans	-134.3	20.7	-176.1	-70.1	174.9	0	0	0	113.2
751	E	30.3	Very low	28.9	Very low	163 Å²	163	124.8 Å²	124.8	76%	0.762	73%	0.733	S	S	*	*	S	Bend	trans	-116.6	1.7	-179.4	-65.9	-172.2	145.1	0	0	113.7
752	D	28.3	Very low	28.1	Very low	160 Å²	160	126.8 Å²	126.8	86%	0.856	74%	0.739	S	S	*	*	S	Bend	trans	-134.8	25.8	-167.9	-148.4	20.5	0	0	0	115.3
753	E	31.1	Very low	27.6	Very low	203 Å²	203	126.9 Å²	126.9	95%	0.949	76%	0.761	S	S	*	*			trans	-128	96.9	159.4	-76.6	-161.7	146.9	0	0	109
754	G	24.8	Very low	27.1	Very low	86 Å²	86	128.3 Å²	128.3	89%	0.887	79%	0.787	S	S	*	*			trans	-154.5	17.4	-163.8	0	0	0	0	0	117.1
755	S	24.8	Very low	26.7	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	81%	0.807	S	S	*	*			trans	-139.6	114.5	172.1	61.5	0	0	0	0	110.8
756	G	24.5	Very low	26.6	Very low	85 Å²	85	135.3 Å²	135.3	88%	0.876	81%	0.81	S	S	*	*			trans	-108.3	167.3	-176.2	0	0	0	0	0	114.1
757	A	23.7	Very low	25.9	Very low	105 Å²	105	136 Å²	136	87%	0.868	83%	0.827	S	S	*	*			trans	-137.1	134.7	164	0	0	0	0	0	109.4
758	T	25.3	Very low	25.6	Very low	145 Å²	145	136.6 Å²	136.6	89%	0.89	83%	0.833	S	S	*	*			trans	-88.5	139.6	178.5	48.4	0	0	0	0	111.6
759	S	23.8	Very low	25.3	Very low	123 Å²	123	137.6 Å²	137.6	86%	0.86	84%	0.838	S	S	*	*			trans	-152.8	133.4	153.1	-144.5	0	0	0	0	111.2
760	E	23.6	Very low	25	Very low	184 Å²	184	142.7 Å²	142.7	86%	0.86	85%	0.851	S	S	*	*			trans	-85.1	158.3	164.9	-57.6	177.1	115.9	0	0	109.3
761	V	23.7	Very low	24.6	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	85%	0.853	S	S	*	*			trans	-178.2	158.5	131.7	142.9	0	0	0	0	111.3
762	Q	22	Very low	24.4	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	86%	0.859	S	S	*	*			trans	-67.5	136.6	-166.5	-58.8	122.4	-12.2	0	0	116.4
763	G	22.3	Very low	24.2	Very low	80 Å²	80	138.3 Å²	138.3	83%	0.825	86%	0.855	S	S	*	*				44.6	128.3	114.9	0	0	0	0	0	122.4
764	A	23.4	Very low	24.1	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	85%	0.854	S	S	*	*			trans	-142.7	166.6	156.2	0	0	0	0	0	110.6
765	Q	22.1	Very low	24.2	Very low	188 Å²	188	136.2 Å²	136.2	88%	0.879	85%	0.848	S	S	*	*			trans	-125	140.8	-164.4	-92.6	-175.1	1.5	0	0	115
766	M	22.4	Very low	24.4	Very low	181 Å²	181	137.5 Å²	137.5	89%	0.892	85%	0.852	S	S	*	*			trans	71	159.3	134.5	-153.7	59.2	167.2	0	0	120.6
767	A	23.1	Very low	24.6	Very low	92 Å²	92	140.3 Å²	140.3	76%	0.76	85%	0.852	S	S	*	*			trans	65.8	130.8	173.6	0	0	0	0	0	116.9
768	G	24	Very low	24.9	Very low	69 Å²	69	147 Å²	147	71%	0.711	86%	0.855	S	S	*	*			cis	103.2	102.6	-6	0	0	0	0	0	114.3
769	F	23.1	Very low	25.1	Very low	210 Å²	210	144.5 Å²	144.5	92%	0.921	85%	0.849	S	S	*	*			trans	-149.3	136.2	166.4	-112.6	-83.5	0	0	0	110.3
770	Y	26.8	Very low	25.3	Very low	229 Å²	229	146.3 Å²	146.3	90%	0.898	85%	0.849	S	S	*	*			trans	-94.2	149.3	161.9	-78.3	-100.8	0	0	0	108.8
771	S	23.8	Very low	26.3	Very low	120 Å²	120	143.3 Å²	143.3	84%	0.839	85%	0.845	S	S	*	*			trans	-149.4	127.4	150.1	-167.9	0	0	0	0	109.1
772	E	25.7	Very low	27.1	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	85%	0.85	S	S	*	*			trans	-71.7	165	159	-66.3	-179.7	109.4	0	0	109.5
773	G	24.7	Very low	27.6	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	84%	0.839	S	S	*	*			trans	-173.8	66.7	-175.4	0	0	0	0	0	112	A775	G773-A775 PolarHBondContact O-N 3.35Å
774	T	28.5	Very low	28.3	Very low	150 Å²	150	141.4 Å²	141.4	92%	0.92	84%	0.838	S	S	*	*			trans	-74.2	118	176.8	33.3	0	0	0	0	111.4
775	A	26.4	Very low	29	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	83%	0.829	S	S	*	*			trans	-135.5	105.6	169.9	0	0	0	0	0	109.9	G773	G773-A775 PolarHBondContact O-N 3.35Å
776	T	30	Very low	29.8	Very low	148 Å²	148	138.2 Å²	138.2	91%	0.908	82%	0.824	S	S	*	*			trans	-90.2	120.4	176.1	37.1	0	0	0	0	111.1
777	T	28.7	Very low	30.7	Very low	143 Å²	143	137 Å²	137	88%	0.877	82%	0.821	S	S	*	*			trans	-116.6	137.1	162.9	35.6	0	0	0	0	109.9
778	R	29.3	Very low	31.9	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.5	145.1	-175.1	-66.4	173	171.6	136.8	-4.2	110.8
779	A	29.5	Very low	33.5	Very low	93 Å²	93	147 Å²	147	77%	0.769	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-97.7	132.1	161.2	0	0	0	0	0	108.7
780	D	28.7	Very low	35.9	Very low	160 Å²	160	144 Å²	144	86%	0.856	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78	132.1	167.7	-77.7	-49.1	0	0	0	109.8
781	P	44.4	Very low	38.6	Very low	121 Å²	121	136.8 Å²	136.8	79%	0.786	79%	0.79	S	S	*	*			trans	-102.6	71	-175.5	39	-33.8	0	0	0	112.1
782	D	39	Very low	41.7	Very low	173 Å²	173	135 Å²	135	93%	0.925	76%	0.764	S	S	*	*			trans	-149.6	104.4	160.2	-124.2	-26.1	0	0	0	113.2
783	G	33.9	Very low	44.9	Very low	57 Å²	57	130.5 Å²	130.5	59%	0.588	74%	0.739	S	S	*	*	S	Bend	trans	177.1	125.2	177.4	0	0	0	0	0	108.6
784	P	36.7	Very low	48.1	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-61.6	138.5	178.1	26.5	-33.5	0	0	0	109.2
785	P	37.2	Very low	51.3	Low	112 Å²	112	119.8 Å²	119.8	73%	0.727	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.5	175.8	26.3	-33.8	0	0	0	108.7	D787	P785-D787 PolarHBondContact O-N 2.93Å
786	P	39.3	Very low	54.5	Low	118 Å²	118	115.3 Å²	115.3	77%	0.766	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-60.8	129.8	177.4	25.9	-33.6	0	0	0	108.8	Q788	P786-Q788 PolarHBondContact O-N 3.04Å
787	D	41.9	Very low	57.5	Low	155 Å²	155	108.2 Å²	108.2	83%	0.829	58%	0.579	S	S	*	*			trans	-47.6	108.7	-178.6	-78.3	-45.9	0	0	0	110.4	P785 R789	P785-D787 PolarHBondContact O-N 2.93Å; D787-R789 PolarHBondContact O-N 3.45Å
788	Q	48.1	Very low	60.6	Low	169 Å²	169	101.4 Å²	101.4	79%	0.79	54%	0.537	S	S	*	.			trans	-70	83.2	170.4	-71.6	-169.5	5.6	0	0	107.5	P786 H790	P786-Q788 PolarHBondContact O-N 3.04Å; Q788-H790 PolarHBondContact O-N 3.45Å; Q788-H790 PolarHBondContact O-ND1 3.35Å
789	R	57.3	Low	63.6	Low	201 Å²	201	89.7 Å²	89.7	76%	0.758	49%	0.493	S	S	*	.			trans	-41.6	113.4	173.7	-65.6	-178.9	-179.9	-178.4	-0.5	107.6	D787 I791	D787-R789 PolarHBondContact O-N 3.45Å; R789-I791 PolarHBondContact O-N 3.03Å
790	H	72.9	Confident	66.5	Low	147 Å²	147	85.5 Å²	85.5	68%	0.681	46%	0.457	S	S	*	.			trans	-71.4	82.3	-173.2	-67.3	-55.2	0	0	0	110.1	Q788 R792	Q788-H790 PolarHBondContact O-N 3.45Å; Q788-H790 PolarHBondContact O-ND1 3.35Å; H790-R792 PolarHBondContact O-N 3.02Å; H790-R792 VanDerWaalsContact O-N 3.17Å
791	I	85.5	Confident	69.4	Low	79 Å²	79	83.2 Å²	83.2	41%	0.405	44%	0.44	S	S	.	.			trans	-71	109	-179.5	-64.6	171.7	0	0	0	108.6	W602 L603 L610 R789	W602-I791 HydrophobicContact CB-CG2 3.83Å; W602-I791 HydrophobicContact CD2-CG2 4.31Å; W602-I791 HydrophobicContact CG-CG2 4.01Å; L603-I791 CarbonylContact O-C 3.56Å; L603-I791 VanDerWaalsContact O-CA 3.31Å; L603-I791 WeakPolarHBondContact O-CA 3.37Å; L610-I791 HydrophobicContact CD1-CD1 4.3Å; L610-I791 HydrophobicContact CD1-CG1 3.9Å; L610-I791 HydrophobicContact CD1-CG2 4.44Å; R789-I791 PolarHBondContact O-N 3.03Å
792	R	87.9	Confident	71.5	Confident	81 Å²	81	79.2 Å²	79.2	31%	0.306	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.6	173.7	-63.7	-169.5	175.8	-139.1	-6	108.9	W602 L603 H790 P858 L859	W602-R792 WeakPolarHBondContact CA-O 3.46Å; L603-R792 HydrophobicContact CB-CB 4.4Å; L603-R792 PolarHBondContact N-O 3.21Å; L603-R792 PolarHBondContact O-N 3.13Å; H790-R792 PolarHBondContact O-N 3.02Å; H790-R792 VanDerWaalsContact O-N 3.17Å; R792-P858 PolarHBondContact NH1-O 2.97Å; R792-L859 PolarHBondContact NE-OXT 2.67Å; R792-L859 PolarHBondContact NH1-O 2.99Å; R792-L859 PolarHBondContact NH2-O 3.24Å; R792-L859 PolarHBondContact NH2-OXT 2.9Å
793	R	92.4	Very high	74	Confident	94 Å²	94	71.5 Å²	71.5	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	109.6	176.8	-66.2	175	-76	154.3	1.5	108.1	L825 Y827 V828	R793-L825 PolarHBondContact NH2-O 3.31Å; R793-Y827 HydrophobicContact CB-CD1 3.5Å; R793-Y827 HydrophobicContact CB-CE1 3.69Å; R793-Y827 HydrophobicContact CB-CG 4.42Å; R793-Y827 HydrophobicContact CG-CE1 4.36Å; R793-Y827 PolarHBondContact NH1-OH 3.33Å; R793-Y827 CarbonylContact O-C 3.57Å; R793-Y827 VanDerWaalsContact O-CA 3.31Å; R793-Y827 WeakPolarHBondContact O-CA 3.26Å; R793-V828 PolarHBondContact O-N 2.93Å
794	V	93.5	Very high	76.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.7	-176.8	-175	0	0	0	0	109.6	V600 L601 L603 L796 V828 L830 V857	V600-V794 WeakPolarHBondContact CA-O 3.41Å; L601-V794 HydrophobicContact CB-CB 4.44Å; L601-V794 PolarHBondContact N-O 2.92Å; L601-V794 PolarHBondContact O-N 3.48Å; L603-V794 HydrophobicContact CD1-CG2 3.77Å; L603-V794 HydrophobicContact CG-CG2 3.8Å; V794-L796 HydrophobicContact CG1-CD1 3.84Å; V794-V828 CarbonylContact C-O 3.57Å; V794-V828 VanDerWaalsContact CA-O 3.29Å; V794-V828 WeakPolarHBondContact CA-O 3.4Å; V794-V828 HydrophobicContact CG2-CB 4.41Å; V794-L830 HydrophobicContact CG1-CB 4.28Å; V794-V857 HydrophobicContact CG1-CG2 4.43Å; V794-V857 HydrophobicContact CG2-CG1 4.04Å
795	I	94.2	Very high	79.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115	171.3	-62.6	170.8	0	0	0	107.7	L591 T597 F599 V600 L822 Y827 V828 L830	L591-I795 HydrophobicContact CD1-CD1 3.76Å; T597-I795 HydrophobicContact CG2-CD1 4.01Å; T597-I795 HydrophobicContact CG2-CG2 4.08Å; F599-I795 WeakPolarHBondContact O-CA 3.27Å; V600-I795 HydrophobicContact CG2-CG1 4.48Å; I795-L822 HydrophobicContact CD1-CB 4.16Å; I795-L822 HydrophobicContact CD1-CD1 3.88Å; I795-L822 HydrophobicContact CD1-CD2 3.86Å; I795-L822 HydrophobicContact CD1-CG 4.18Å; I795-Y827 HydrophobicContact CD1-CD1 3.68Å; I795-Y827 HydrophobicContact CD1-CD2 4.23Å; I795-Y827 HydrophobicContact CD1-CE1 4.46Å; I795-Y827 HydrophobicContact CD1-CG 3.56Å; I795-Y827 HydrophobicContact CG1-CD1 3.79Å; I795-Y827 HydrophobicContact CG1-CG 4.1Å; I795-V828 PolarHBondContact N-O 2.65Å; I795-L830 PolarHBondContact O-N 2.87Å
796	L	93.9	Very high	82.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.2	167.5	-99.8	62.7	0	0	0	107.4	L576 D598 F599 L601 V794 L830 L832 L850 L854	L576-L796 HydrophobicContact CD1-CD2 3.93Å; L576-L796 HydrophobicContact CD2-CD2 3.73Å; L576-L796 HydrophobicContact CG-CD2 4.41Å; D598-L796 WeakPolarHBondContact CB-O 3.41Å; F599-L796 HydrophobicContact CB-CB 4.07Å; F599-L796 HydrophobicContact CD2-CB 4.27Å; F599-L796 PolarHBondContact N-O 2.94Å; F599-L796 VanDerWaalsContact N-O 3.16Å; F599-L796 PolarHBondContact O-N 2.69Å; L601-L796 HydrophobicContact CD1-CB 4.34Å; L601-L796 HydrophobicContact CD1-CD1 4.12Å; L601-L796 HydrophobicContact CD1-CD2 4.32Å; L601-L796 HydrophobicContact CD1-CG 4.49Å; V794-L796 HydrophobicContact CG1-CD1 3.84Å; L796-L830 HydrophobicContact CD1-CB 4.03Å; L796-L830 HydrophobicContact CD1-CD2 3.75Å; L796-L830 HydrophobicContact CD1-CG 4.5Å; L796-L830 HydrophobicContact CG-CD2 3.74Å; L796-L832 HydrophobicContact CB-CD1 4.37Å; L796-L832 HydrophobicContact CD2-CD1 4.36Å; L796-L832 HydrophobicContact CG-CD1 4.28Å; L796-L850 HydrophobicContact CD2-CD2 4.17Å; L796-L854 HydrophobicContact CD1-CD2 3.97Å
797	S	93.4	Very high	84.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	107.2	-173.6	173.4	0	0	0	0	110.8	N799 R815 R818 L830 L832	S797-N799 PolarHBondContact O-N 2.98Å; S797-N799 PolarHBondContact OG-OD1 2.86Å; S797-R815 PolarHBondContact OG-NH2 2.71Å; S797-R815 VanDerWaalsContact OG-NH2 3.08Å; S797-R818 PolarHBondContact OG-NH2 3.41Å; S797-L830 PolarHBondContact N-O 3.04Å; S797-L832 PolarHBondContact O-N 3.38Å
798	V	93	Very high	86.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	113.1	176.8	-179.3	0	0	0	0	108.7	K569 V572 D598 F599 R815 L832 L837	K569-V798 HydrophobicContact CB-CG1 4.3Å; K569-V798 HydrophobicContact CB-CG2 4.45Å; V572-V798 HydrophobicContact CB-CG2 4.26Å; V572-V798 HydrophobicContact CG1-CG2 4.14Å; V572-V798 HydrophobicContact CG2-CG2 4.22Å; D598-V798 HydrophobicContact CB-CB 4.36Å; D598-V798 HydrophobicContact CB-CG2 4.19Å; D598-V798 PolarHBondContact OD2-N 2.79Å; F599-V798 HydrophobicContact CD2-CG2 4.42Å; F599-V798 HydrophobicContact CE2-CG2 3.84Å; V798-R815 PolarHBondContact O-NH2 2.92Å; V798-L832 HydrophobicContact CG2-CD1 4.08Å; V798-L837 HydrophobicContact CG1-CD1 4.29Å
799	N	92.3	Very high	88.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	90.7	-175.1	-69.6	-16.8	0	0	0	110.2	S797 H803 Y804 L811 R815 L832 Y834	S797-N799 PolarHBondContact O-N 2.98Å; S797-N799 PolarHBondContact OG-OD1 2.86Å; N799-H803 HydrophobicContact CB-CB 4.39Å; N799-Y804 HydrophobicContact CB-CE2 3.61Å; N799-Y804 WeakPolarHBondContact CB-OH 3.38Å; N799-Y804 PolarHBondContact ND2-OH 3.15Å; N799-Y804 WeakPolarHBondContact O-CE2 3.44Å; N799-L811 HydrophobicContact CB-CD2 4.47Å; N799-R815 PolarHBondContact OD1-NE 3.42Å; N799-R815 PolarHBondContact OD1-NH2 2.67Å; N799-L832 PolarHBondContact N-O 2.93Å; N799-Y834 VanDerWaalsContact O-CB 3.25Å; N799-Y834 WeakPolarHBondContact O-CB 3.35Å; N799-Y834 PolarHBondContact O-N 3.02Å
800	D	90.6	Very high	90.6	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	22%	0.221	C	C	.	.			trans	-70.9	168.2	176.4	-58.6	-59.2	0	0	0	114.3	S567 Y568 W802 H803	S567-D800 WeakPolarHBondContact CA-OD1 3.29Å; S567-D800 WeakPolarHBondContact CB-OD2 3.45Å; S567-D800 VanDerWaalsContact OG-CG 3.3Å; S567-D800 PolarHBondContact OG-OD1 3.34Å; S567-D800 PolarHBondContact OG-OD2 3.09Å; Y568-D800 PolarHBondContact N-OD1 3.21Å; Y568-D800 VanDerWaalsContact N-OD1 3.13Å; D800-W802 HydrophobicContact CB-CD2 4.07Å; D800-W802 HydrophobicContact CB-CE3 3.87Å; D800-W802 HydrophobicContact CB-CH2 3.38Å; D800-W802 HydrophobicContact CB-CZ2 3.6Å; D800-W802 HydrophobicContact CB-CZ3 3.52Å; D800-W802 PolarHBondContact O-N 2.73Å; D800-H803 PolarHBondContact N-ND1 3.19Å; D800-H803 VanDerWaalsContact O-CB 3.27Å; D800-H803 WeakPolarHBondContact O-CB 3.36Å; D800-H803 PolarHBondContact O-N 2.87Å; D800-H803 PolarHBondContact O-ND1 3.13Å
801	K	90.1	Very high	91.6	Very high	111 Å²	111	40.8 Å²	40.8	48%	0.483	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-23	-171.6	-154.2	175.5	-159.1	152	0	116.4	R417 Y834	R417-K801 PolarHBondContact NH2-O 3.08Å; K801-Y834 HydrophobicContact CB-CD1 4.25Å; K801-Y834 HydrophobicContact CB-CD2 3.78Å; K801-Y834 HydrophobicContact CB-CE1 4.23Å; K801-Y834 HydrophobicContact CB-CE2 3.72Å; K801-Y834 HydrophobicContact CB-CG 4.05Å; K801-Y834 HydrophobicContact CD-CE1 3.91Å; K801-Y834 HydrophobicContact CD-CE2 4.17Å; K801-Y834 HydrophobicContact CG-CD1 4.19Å; K801-Y834 HydrophobicContact CG-CE1 3.94Å; K801-Y834 HydrophobicContact CG-CE2 4.25Å; K801-Y834 HydrophobicContact CG-CG 4.49Å; K801-Y834 PolarHBondContact NZ-OH 3.45Å; K801-Y834 VanDerWaalsContact NZ-OH 3.09Å
802	W	87.7	Confident	92.1	Very high	38 Å²	38	37.1 Å²	37.1	14%	0.144	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.9	177.9	60.5	85.3	0	0	0	114.7	D560 N563 D800 Y804	D560-W802 PolarHBondContact OD1-NE1 3.4Å; N563-W802 HydrophobicContact CB-CD2 4.16Å; N563-W802 HydrophobicContact CB-CE3 4.06Å; N563-W802 HydrophobicContact CB-CH2 3.45Å; N563-W802 VanDerWaalsContact CB-CH2 3.45Å; N563-W802 HydrophobicContact CB-CZ2 3.55Å; N563-W802 HydrophobicContact CB-CZ3 3.72Å; N563-W802 WeakPolarHBondContact O-CH2 3.42Å; D800-W802 HydrophobicContact CB-CD2 4.07Å; D800-W802 HydrophobicContact CB-CE3 3.87Å; D800-W802 HydrophobicContact CB-CH2 3.38Å; D800-W802 HydrophobicContact CB-CZ2 3.6Å; D800-W802 HydrophobicContact CB-CZ3 3.52Å; D800-W802 PolarHBondContact O-N 2.73Å; W802-Y804 VanDerWaalsContact C-N 3.3Å
803	H	92.3	Very high	92.3	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.046	16%	0.161	C	C	.	.	S	Bend	trans	-76.5	-18.1	170.4	-65.1	107.1	0	0	0	113.3	D560 N799 D800 L811 V812 R815	D560-H803 IonicContact OD1-CE1 2.72Å; D560-H803 IonicContact OD1-NE2 2.94Å; D560-H803 PolarHBondContact OD1-NE2 2.89Å; D560-H803 IonicContact OD2-CE1 2.65Å; D560-H803 IonicContact OD2-NE2 2.72Å; D560-H803 PolarHBondContact OD2-NE2 3.41Å; N799-H803 HydrophobicContact CB-CB 4.39Å; D800-H803 PolarHBondContact N-ND1 3.19Å; D800-H803 VanDerWaalsContact O-CB 3.27Å; D800-H803 WeakPolarHBondContact O-CB 3.36Å; D800-H803 PolarHBondContact O-N 2.87Å; D800-H803 PolarHBondContact O-ND1 3.13Å; H803-L811 HydrophobicContact CB-CD2 4.01Å; H803-L811 WeakPolarHBondContact O-CA 3.1Å; H803-L811 WeakPolarHBondContact O-CD2 3.37Å; H803-V812 WeakPolarHBondContact O-CG1 3.46Å; H803-V812 WeakPolarHBondContact O-CG2 3.48Å; H803-V812 PolarHBondContact O-N 3.05Å; H803-R815 HydrophobicContact CB-CG 4.38Å; H803-R815 WeakPolarHBondContact CD2-CD 3.46Å; H803-R815 PolarHBondContact CD2-NE 2.79Å; H803-R815 PolarHBondContact NE2-NH1 3.47Å
804	Y	93.9	Very high	92.2	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.063	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-102.2	152	-178.5	-69.8	-76.9	0	0	0	112.3	R417 N799 W802 E809 L811 P833	R417-Y804 WeakPolarHBondContact CD-O 3.27Å; R417-Y804 PolarHBondContact NE-O 2.82Å; N799-Y804 HydrophobicContact CB-CE2 3.61Å; N799-Y804 WeakPolarHBondContact CB-OH 3.38Å; N799-Y804 PolarHBondContact ND2-OH 3.15Å; N799-Y804 WeakPolarHBondContact O-CE2 3.44Å; W802-Y804 VanDerWaalsContact C-N 3.3Å; Y804-E809 VanDerWaalsContact CD1-O 3.28Å; Y804-E809 WeakPolarHBondContact CD1-O 3.46Å; Y804-E809 WeakPolarHBondContact CE1-O 3.28Å; Y804-L811 HydrophobicContact CD1-CD2 3.83Å; Y804-L811 HydrophobicContact CD1-CG 4.33Å; Y804-L811 HydrophobicContact CD2-CD2 4.47Å; Y804-L811 HydrophobicContact CE1-CD2 3.45Å; Y804-L811 VanDerWaalsContact CE1-CD2 3.45Å; Y804-L811 HydrophobicContact CE1-CG 3.87Å; Y804-L811 HydrophobicContact CE2-CD2 4.15Å; Y804-L811 HydrophobicContact CG-CD2 4.32Å; Y804-P833 WeakPolarHBondContact OH-CB 3.42Å
805	C	93.7	Very high	92.1	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.027	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-61.7	147	164.2	-61.5	0	0	0	0	109.6	R419 M453 N807 S808 V810	R419-C805 HydrophobicContact CB-CB 4.44Å; M453-C805 HydrophobicContact CE-CB 3.52Å; M453-C805 WeakPolarHBondContact CE-SG 3.49Å; C805-N807 PolarHBondContact O-N 2.83Å; C805-S808 PolarHBondContact O-N 3.41Å; C805-V810 HydrophobicContact CB-CB 4.34Å; C805-V810 WeakPolarHBondContact CB-O 3.3Å; C805-V810 PolarHBondContact N-O 3.45Å; C805-V810 PolarHBondContact SG-O 3.39Å
806	H	91.2	Very high	92.1	Very high	35 Å²	35	33.3 Å²	33.3	16%	0.162	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	136	-179.5	-177.5	59.3	0	0	0	110.4	R382 E384 H416 R417 L418 S808	R382-H806 PolarHBondContact NE-CE1 3.32Å; R382-H806 VanDerWaalsContact NE-CE1 3.32Å; R382-H806 PolarHBondContact NE-NE2 3.11Å; E384-H806 IonicContact OE1-CD2 3.94Å; E384-H806 IonicContact OE1-CE1 3.35Å; E384-H806 IonicContact OE1-NE2 3.25Å; E384-H806 PolarHBondContact OE1-NE2 3.46Å; E384-H806 IonicContact OE2-NE2 3.35Å; H416-H806 WeakPolarHBondContact O-CB 3.49Å; R417-H806 HydrophobicContact CB-CB 4.46Å; R417-H806 VanDerWaalsContact O-CB 3.24Å; R417-H806 WeakPolarHBondContact O-CB 3.47Å; R417-H806 PolarHBondContact O-N 3.08Å; L418-H806 HydrophobicContact CD2-CB 4.19Å; H806-S808 PolarHBondContact O-N 3.38Å
807	N	88.6	Confident	92.1	Very high	128 Å²	128	33.4 Å²	33.4	68%	0.684	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	34	-173.6	-62.2	-16.3	0	0	0	114.4	E384 C805	E384-N807 PolarHBondContact OE2-ND2 2.8Å; C805-N807 PolarHBondContact O-N 2.83Å
808	S	90.8	Very high	92	Very high	44 Å²	44	33.9 Å²	33.9	31%	0.308	18%	0.177	S	C	.	.	S	Bend	trans	-153.1	148.1	-174.9	-179.2	0	0	0	0	113.3	C805 H806 V810	C805-S808 PolarHBondContact O-N 3.41Å; H806-S808 PolarHBondContact O-N 3.38Å; S808-V810 VanDerWaalsContact C-N 3.26Å; S808-V810 PolarHBondContact O-N 2.81Å; S808-V810 PolarHBondContact OG-N 3.42Å
809	E	91.5	Very high	92	Very high	145 Å²	145	34 Å²	34	68%	0.678	18%	0.177	S	C	*	.	S	Bend	trans	-82.2	-0.3	176.6	-60.6	175.6	-179.4	0	0	113.3	Y804 L811	Y804-E809 VanDerWaalsContact CD1-O 3.28Å; Y804-E809 WeakPolarHBondContact CD1-O 3.46Å; Y804-E809 WeakPolarHBondContact CE1-O 3.28Å; E809-L811 PolarHBondContact O-N 3.01Å
810	V	93.9	Very high	92.1	Very high	46 Å²	46	37.2 Å²	37.2	28%	0.279	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-72	122.2	177.4	177.3	0	0	0	0	110.5	C805 S808	C805-V810 HydrophobicContact CB-CB 4.34Å; C805-V810 WeakPolarHBondContact CB-O 3.3Å; C805-V810 PolarHBondContact N-O 3.45Å; C805-V810 PolarHBondContact SG-O 3.39Å; S808-V810 VanDerWaalsContact C-N 3.26Å; S808-V810 PolarHBondContact O-N 2.81Å; S808-V810 PolarHBondContact OG-N 3.42Å
811	L	94.1	Very high	92.3	Very high	21 Å²	21	37 Å²	37	11%	0.11	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-69.1	142.4	172.5	-73.3	174.2	0	0	0	112.2	S454 N799 H803 Y804 E809 R815 Q831	S454-L811 VanDerWaalsContact CB-O 3.24Å; S454-L811 WeakPolarHBondContact CB-O 3.06Å; S454-L811 PolarHBondContact OG-O 2.94Å; N799-L811 HydrophobicContact CB-CD2 4.47Å; H803-L811 HydrophobicContact CB-CD2 4.01Å; H803-L811 WeakPolarHBondContact O-CA 3.1Å; H803-L811 WeakPolarHBondContact O-CD2 3.37Å; Y804-L811 HydrophobicContact CD1-CD2 3.83Å; Y804-L811 HydrophobicContact CD1-CG 4.33Å; Y804-L811 HydrophobicContact CD2-CD2 4.47Å; Y804-L811 HydrophobicContact CE1-CD2 3.45Å; Y804-L811 VanDerWaalsContact CE1-CD2 3.45Å; Y804-L811 HydrophobicContact CE1-CG 3.87Å; Y804-L811 HydrophobicContact CE2-CD2 4.15Å; Y804-L811 HydrophobicContact CG-CD2 4.32Å; E809-L811 PolarHBondContact O-N 3.01Å; L811-R815 HydrophobicContact CD1-CG 4.46Å; L811-R815 HydrophobicContact CD2-CG 4.21Å; L811-Q831 VanDerWaalsContact CD1-NE2 3.31Å
812	V	94.3	Very high	92.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-62.9	146.9	172.8	-59.2	0	0	0	0	111.6	R452 H803 S814 R815 A816	R452-V812 WeakPolarHBondContact O-CA 3.24Å; R452-V812 WeakPolarHBondContact O-CB 3.46Å; R452-V812 WeakPolarHBondContact O-CG1 3.21Å; H803-V812 WeakPolarHBondContact O-CG1 3.46Å; H803-V812 WeakPolarHBondContact O-CG2 3.48Å; H803-V812 PolarHBondContact O-N 3.05Å; V812-S814 VanDerWaalsContact C-N 3.27Å; V812-S814 PolarHBondContact O-N 3.28Å; V812-S814 VanDerWaalsContact O-N 3.09Å; V812-R815 HydrophobicContact CG2-CB 4.1Å; V812-R815 PolarHBondContact O-N 3.35Å; V812-A816 PolarHBondContact O-N 3.49Å
813	G	93.2	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-33.1	-168.7	0	0	0	0	0	115.6	S451 S454 A816 M817	S451-G813 WeakPolarHBondContact O-CA 3.34Å; S451-G813 PolarHBondContact O-N 3.18Å; S454-G813 WeakPolarHBondContact OG-CA 3.37Å; S454-G813 PolarHBondContact OG-N 3.15Å; G813-A816 PolarHBondContact O-N 2.91Å; G813-M817 WeakPolarHBondContact O-CB 3.37Å; G813-M817 PolarHBondContact O-N 3.46Å
814	S	90.3	Very high	92.9	Very high	58 Å²	58	38.9 Å²	38.9	41%	0.406	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-40.3	175.6	55.9	0	0	0	0	113.4	V812 R818	V812-S814 VanDerWaalsContact C-N 3.27Å; V812-S814 PolarHBondContact O-N 3.28Å; V812-S814 VanDerWaalsContact O-N 3.09Å; S814-R818 WeakPolarHBondContact O-CB 3.28Å; S814-R818 PolarHBondContact O-N 2.67Å; S814-R818 VanDerWaalsContact O-N 3.14Å
815	R	91.3	Very high	92.8	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-74.6	-38.4	175.9	-162	74	164.7	-170.9	17.2	110.1	D560 D598 S797 V798 N799 H803 L811 V812 R818 D819	D560-R815 IonicContact OD2-NH1 2.82Å; D560-R815 PolarHBondContact OD2-NH1 3.21Å; D598-R815 IonicContact OD2-CZ 3.91Å; D598-R815 IonicContact OD2-NH2 3.34Å; D598-R815 PolarHBondContact OD2-NH2 3.06Å; S797-R815 PolarHBondContact OG-NH2 2.71Å; S797-R815 VanDerWaalsContact OG-NH2 3.08Å; V798-R815 PolarHBondContact O-NH2 2.92Å; N799-R815 PolarHBondContact OD1-NE 3.42Å; N799-R815 PolarHBondContact OD1-NH2 2.67Å; H803-R815 HydrophobicContact CB-CG 4.38Å; H803-R815 WeakPolarHBondContact CD2-CD 3.46Å; H803-R815 PolarHBondContact CD2-NE 2.79Å; H803-R815 PolarHBondContact NE2-NH1 3.47Å; L811-R815 HydrophobicContact CD1-CG 4.46Å; L811-R815 HydrophobicContact CD2-CG 4.21Å; V812-R815 HydrophobicContact CG2-CB 4.1Å; V812-R815 PolarHBondContact O-N 3.35Å; R815-R818 VanDerWaalsContact CZ-NH1 3.33Å; R815-D819 WeakPolarHBondContact O-CB 3.42Å; R815-D819 VanDerWaalsContact O-CG 3.32Å; R815-D819 PolarHBondContact O-N 3.38Å
816	A	93.8	Very high	92.7	Very high	23 Å²	23	42.5 Å²	42.5	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-46.5	174.3	0	0	0	0	0	112.5	V812 G813 D819 R820	V812-A816 PolarHBondContact O-N 3.49Å; G813-A816 PolarHBondContact O-N 2.91Å; A816-D819 PolarHBondContact O-N 3.25Å; A816-R820 WeakPolarHBondContact O-CG 3.36Å; A816-R820 PolarHBondContact O-N 2.91Å
817	M	93.9	Very high	92.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-50.5	175.8	179.5	-174	178	0	0	111.8	M487 F490 Q491 L527 A531 G813 D819 R820 H821	M487-M817 HydrophobicContact SD-CE 4.34Å; M487-M817 HydrophobicContact SD-SD 4.36Å; F490-M817 HydrophobicContact CB-CE 4.05Å; Q491-M817 HydrophobicContact CB-SD 4.47Å; Q491-M817 HydrophobicContact CG-CB 4.11Å; Q491-M817 HydrophobicContact CG-CG 4.46Å; Q491-M817 HydrophobicContact CG-SD 3.53Å; Q491-M817 VanDerWaalsContact CG-SD 3.53Å; L527-M817 HydrophobicContact CD1-CE 4.25Å; L527-M817 HydrophobicContact CD2-CE 3.94Å; L527-M817 HydrophobicContact CG-CE 4.05Å; A531-M817 HydrophobicContact CB-CE 3.91Å; G813-M817 WeakPolarHBondContact O-CB 3.37Å; G813-M817 PolarHBondContact O-N 3.46Å; M817-D819 PolarHBondContact O-N 3.38Å; M817-R820 PolarHBondContact O-N 2.98Å; M817-H821 VanDerWaalsContact CE-CE1 3.41Å; M817-H821 WeakPolarHBondContact CE-CE1 3.38Å; M817-H821 WeakPolarHBondContact CG-NE2 3.37Å; M817-H821 PolarHBondContact O-CD2 3.08Å; M817-H821 PolarHBondContact O-N 3.07Å
818	R	92.4	Very high	93	Very high	11 Å²	11	38.1 Å²	38.1	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-49.9	-48	172.9	-175.3	-162.4	74.2	156	1.3	110.8	Y595 Y596 S797 S814 R815 R820 H821 L822	Y595-R818 HydrophobicContact CD1-CB 4.13Å; Y595-R818 HydrophobicContact CD1-CG 3.64Å; Y595-R818 HydrophobicContact CD2-CG 3.98Å; Y595-R818 HydrophobicContact CE1-CB 3.93Å; Y595-R818 HydrophobicContact CE1-CG 3.95Å; Y595-R818 HydrophobicContact CE2-CG 4.27Å; Y595-R818 HydrophobicContact CG-CB 4.49Å; Y595-R818 HydrophobicContact CG-CG 3.63Å; Y596-R818 PolarHBondContact O-NH1 3.39Å; Y596-R818 VanDerWaalsContact O-NH1 3.16Å; S797-R818 PolarHBondContact OG-NH2 3.41Å; S814-R818 WeakPolarHBondContact O-CB 3.28Å; S814-R818 PolarHBondContact O-N 2.67Å; S814-R818 VanDerWaalsContact O-N 3.14Å; R815-R818 VanDerWaalsContact CZ-NH1 3.33Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R818-R820 PolarHBondContact O-N 3.06Å; R818-H821 PolarHBondContact O-N 3.39Å; R818-L822 HydrophobicContact CG-CD1 3.74Å; R818-L822 HydrophobicContact CG-CG 4.31Å; R818-L822 WeakPolarHBondContact O-CB 3.49Å; R818-L822 WeakPolarHBondContact O-CG 3.32Å; R818-L822 PolarHBondContact O-N 2.93Å
819	D	93.2	Very high	93.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-72	-22.1	-177.1	-75.4	26.4	0	0	0	113.3	R815 A816 M817 R823 I829 Q831	R815-D819 WeakPolarHBondContact O-CB 3.42Å; R815-D819 VanDerWaalsContact O-CG 3.32Å; R815-D819 PolarHBondContact O-N 3.38Å; A816-D819 PolarHBondContact O-N 3.25Å; M817-D819 PolarHBondContact O-N 3.38Å; D819-R823 VanDerWaalsContact C-NH1 3.29Å; D819-R823 VanDerWaalsContact O-CG 3.31Å; D819-R823 WeakPolarHBondContact O-CG 3.39Å; D819-R823 PolarHBondContact O-NH1 3.16Å; D819-I829 VanDerWaalsContact CA-CD1 3.43Å; D819-I829 HydrophobicContact CB-CD1 3.73Å; D819-I829 WeakPolarHBondContact O-CD1 3.18Å; D819-Q831 PolarHBondContact OD2-NE2 3.46Å
820	R	94.4	Very high	93.2	Very high	69 Å²	69	30.9 Å²	30.9	26%	0.26	17%	0.167	S	C	.	.	H	α-helix	trans	-73.6	-49.5	167.5	-63.9	-171.9	-45.2	-107.7	2	110.7	F490 Q491 E535 A816 M817 R818 L822 R823 L824	F490-R820 PolarHBondContact O-NH2 2.97Å; Q491-R820 PolarHBondContact O-NH1 3.36Å; E535-R820 WeakPolarHBondContact OE1-CB 3.31Å; E535-R820 IonicContact OE1-CZ 2.86Å; E535-R820 IonicContact OE1-NE 3.67Å; E535-R820 PolarHBondContact OE1-NE 3.14Å; E535-R820 IonicContact OE1-NH2 3.34Å; E535-R820 PolarHBondContact OE1-NH2 3.17Å; E535-R820 IonicContact OE2-CZ 3.97Å; E535-R820 IonicContact OE2-NE 2.7Å; E535-R820 PolarHBondContact OE2-NE 2.97Å; E535-R820 IonicContact OE2-NH2 3.02Å; E535-R820 PolarHBondContact OE2-NH2 3.06Å; A816-R820 WeakPolarHBondContact O-CG 3.36Å; A816-R820 PolarHBondContact O-N 2.91Å; M817-R820 PolarHBondContact O-N 2.98Å; R818-R820 VanDerWaalsContact C-N 3.33Å; R818-R820 PolarHBondContact O-N 3.06Å; R820-L822 PolarHBondContact O-N 1.86Å; R820-R823 WeakPolarHBondContact O-CB 3.47Å; R820-R823 PolarHBondContact O-N 3.35Å; R820-R823 VanDerWaalsContact O-N 3.14Å; R820-L824 WeakPolarHBondContact O-CG 3.45Å; R820-L824 PolarHBondContact O-N 3.47Å
821	H	94.3	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-44.4	-177.9	-72.9	-151.7	0	0	0	112.7	A531 L534 E535 Y595 M817 R818 R823 L824 L825	A531-H821 VanDerWaalsContact CB-CE1 3.41Å; A531-H821 WeakPolarHBondContact CB-CE1 3.44Å; L534-H821 HydrophobicContact CD1-CB 3.82Å; E535-H821 VanDerWaalsContact CD-CD2 3.48Å; E535-H821 IonicContact OE1-CD2 2.71Å; E535-H821 PolarHBondContact OE1-CD2 2.82Å; E535-H821 IonicContact OE1-NE2 3.51Å; E535-H821 IonicContact OE2-CD2 2.63Å; E535-H821 IonicContact OE2-NE2 3.71Å; Y595-H821 HydrophobicContact CE2-CB 3.66Å; Y595-H821 AromaticContact CE2-CG 3.97Å; Y595-H821 AromaticContact CE2-ND1 3.67Å; Y595-H821 AromaticContact CZ-ND1 3.82Å; Y595-H821 PolarHBondContact OH-CE1 2.96Å; Y595-H821 PolarHBondContact OH-ND1 3.22Å; Y595-H821 VanDerWaalsContact OH-ND1 3.07Å; M817-H821 VanDerWaalsContact CE-CE1 3.41Å; M817-H821 WeakPolarHBondContact CE-CE1 3.38Å; M817-H821 WeakPolarHBondContact CG-NE2 3.37Å; M817-H821 PolarHBondContact O-CD2 3.08Å; M817-H821 PolarHBondContact O-N 3.07Å; R818-H821 PolarHBondContact O-N 3.39Å; H821-R823 VanDerWaalsContact C-N 3.31Å; H821-R823 PolarHBondContact O-N 2.75Å; H821-L824 PolarHBondContact O-N 3.04Å; H821-L824 VanDerWaalsContact O-N 3.14Å; H821-L825 WeakPolarHBondContact O-CG 3.39Å; H821-L825 PolarHBondContact O-N 3.46Å
822	L	93.3	Very high	93.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-35.7	177.4	-72.5	172.7	0	0	0	112	L591 Y595 T597 I795 R818 R820 L825 Y827 I829	L591-L822 HydrophobicContact CB-CD2 4.2Å; L591-L822 HydrophobicContact CD1-CD2 3.89Å; Y595-L822 HydrophobicContact CD2-CD2 4.5Å; Y595-L822 HydrophobicContact CD2-CG 4.48Å; T597-L822 HydrophobicContact CG2-CD1 4.07Å; T597-L822 HydrophobicContact CG2-CD2 4.4Å; I795-L822 HydrophobicContact CD1-CB 4.16Å; I795-L822 HydrophobicContact CD1-CD1 3.88Å; I795-L822 HydrophobicContact CD1-CD2 3.86Å; I795-L822 HydrophobicContact CD1-CG 4.18Å; R818-L822 HydrophobicContact CG-CD1 3.74Å; R818-L822 HydrophobicContact CG-CG 4.31Å; R818-L822 WeakPolarHBondContact O-CB 3.49Å; R818-L822 WeakPolarHBondContact O-CG 3.32Å; R818-L822 PolarHBondContact O-N 2.93Å; R820-L822 PolarHBondContact O-N 1.86Å; L822-L825 HydrophobicContact CD2-CD1 4.49Å; L822-L825 PolarHBondContact O-N 3.07Å; L822-Y827 WeakPolarHBondContact O-CB 3.05Å; L822-Y827 WeakPolarHBondContact O-CD2 3.35Å; L822-Y827 PolarHBondContact O-N 2.99Å; L822-Y827 VanDerWaalsContact O-N 3.08Å; L822-I829 HydrophobicContact CB-CD1 3.69Å; L822-I829 HydrophobicContact CB-CG1 4.31Å; L822-I829 HydrophobicContact CD1-CD1 4.36Å
823	R	94.3	Very high	93.2	Very high	120 Å²	120	30.8 Å²	30.8	45%	0.453	16%	0.164	S	C	.	.	H	α-helix	trans	-66.3	-41.2	171.5	-69.8	176.4	-172	106.8	-5.9	112	D819 R820 H821 L825 G826 Y827 I829	D819-R823 VanDerWaalsContact C-NH1 3.29Å; D819-R823 VanDerWaalsContact O-CG 3.31Å; D819-R823 WeakPolarHBondContact O-CG 3.39Å; D819-R823 PolarHBondContact O-NH1 3.16Å; R820-R823 WeakPolarHBondContact O-CB 3.47Å; R820-R823 PolarHBondContact O-N 3.35Å; R820-R823 VanDerWaalsContact O-N 3.14Å; H821-R823 VanDerWaalsContact C-N 3.31Å; H821-R823 PolarHBondContact O-N 2.75Å; R823-L825 VanDerWaalsContact C-N 3.26Å; R823-L825 PolarHBondContact O-N 3.34Å; R823-G826 WeakPolarHBondContact O-CA 3.4Å; R823-G826 PolarHBondContact O-N 3.43Å; R823-Y827 WeakPolarHBondContact CA-O 3.4Å; R823-I829 HydrophobicContact CG-CD1 3.87Å; R823-I829 HydrophobicContact CG-CG1 4Å
824	L	93.8	Very high	93.2	Very high	79 Å²	79	32.5 Å²	32.5	41%	0.414	17%	0.171	S	C	.	.	H	α-helix	trans	-65.4	-27.4	176.6	-69.2	163.6	0	0	0	113	L534 E535 R820 H821 G826	L534-L824 HydrophobicContact CB-CD1 4.25Å; L534-L824 HydrophobicContact CD2-CB 4.26Å; E535-L824 HydrophobicContact CG-CD1 3.73Å; R820-L824 WeakPolarHBondContact O-CG 3.45Å; R820-L824 PolarHBondContact O-N 3.47Å; H821-L824 PolarHBondContact O-N 3.04Å; H821-L824 VanDerWaalsContact O-N 3.14Å; L824-G826 PolarHBondContact O-N 3.04Å
825	L	92.3	Very high	93.3	Very high	51 Å²	51	32.1 Å²	32.1	27%	0.267	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	2.8	170.4	-70.1	164.8	0	0	0	114	L534 P592 R793 H821 L822 R823 Y827	L534-L825 HydrophobicContact CD1-CD1 4.38Å; L534-L825 HydrophobicContact CD1-CG 4.31Å; L534-L825 HydrophobicContact CD2-CD2 3.81Å; L534-L825 HydrophobicContact CD2-CG 3.92Å; P592-L825 WeakPolarHBondContact O-CD1 3.35Å; R793-L825 PolarHBondContact NH2-O 3.31Å; H821-L825 WeakPolarHBondContact O-CG 3.39Å; H821-L825 PolarHBondContact O-N 3.46Å; L822-L825 HydrophobicContact CD2-CD1 4.49Å; L822-L825 PolarHBondContact O-N 3.07Å; R823-L825 VanDerWaalsContact C-N 3.26Å; R823-L825 PolarHBondContact O-N 3.34Å; L825-Y827 HydrophobicContact CB-CD2 3.87Å; L825-Y827 HydrophobicContact CB-CE2 3.96Å
826	G	91.3	Very high	93.4	Very high	44 Å²	44	34.2 Å²	34.2	45%	0.454	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	25.8	176.7	0	0	0	0	0	115	R823 L824	R823-G826 WeakPolarHBondContact O-CA 3.4Å; R823-G826 PolarHBondContact O-N 3.43Å; L824-G826 PolarHBondContact O-N 3.04Å
827	Y	93.1	Very high	93.3	Very high	30 Å²	30	33.3 Å²	33.3	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.9	171.9	-62.9	-92.8	0	0	0	111.9	L591 R793 I795 L822 R823 L825	L591-Y827 HydrophobicContact CD1-CD1 4.36Å; L591-Y827 HydrophobicContact CD1-CD2 4.44Å; L591-Y827 HydrophobicContact CD1-CE1 3.88Å; L591-Y827 HydrophobicContact CD1-CE2 3.96Å; R793-Y827 HydrophobicContact CB-CD1 3.5Å; R793-Y827 HydrophobicContact CB-CE1 3.69Å; R793-Y827 HydrophobicContact CB-CG 4.42Å; R793-Y827 HydrophobicContact CG-CE1 4.36Å; R793-Y827 PolarHBondContact NH1-OH 3.33Å; R793-Y827 CarbonylContact O-C 3.57Å; R793-Y827 VanDerWaalsContact O-CA 3.31Å; R793-Y827 WeakPolarHBondContact O-CA 3.26Å; I795-Y827 HydrophobicContact CD1-CD1 3.68Å; I795-Y827 HydrophobicContact CD1-CD2 4.23Å; I795-Y827 HydrophobicContact CD1-CE1 4.46Å; I795-Y827 HydrophobicContact CD1-CG 3.56Å; I795-Y827 HydrophobicContact CG1-CD1 3.79Å; I795-Y827 HydrophobicContact CG1-CG 4.1Å; L822-Y827 WeakPolarHBondContact O-CB 3.05Å; L822-Y827 WeakPolarHBondContact O-CD2 3.35Å; L822-Y827 PolarHBondContact O-N 2.99Å; L822-Y827 VanDerWaalsContact O-N 3.08Å; R823-Y827 WeakPolarHBondContact CA-O 3.4Å; L825-Y827 HydrophobicContact CB-CD2 3.87Å; L825-Y827 HydrophobicContact CB-CE2 3.96Å
828	V	93.3	Very high	93.3	Very high	41 Å²	41	37.9 Å²	37.9	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.1	168.5	-175.8	0	0	0	0	108	R793 V794 I795 V857 P858	R793-V828 PolarHBondContact O-N 2.93Å; V794-V828 CarbonylContact C-O 3.57Å; V794-V828 VanDerWaalsContact CA-O 3.29Å; V794-V828 WeakPolarHBondContact CA-O 3.4Å; V794-V828 HydrophobicContact CG2-CB 4.41Å; I795-V828 PolarHBondContact N-O 2.65Å; V828-V857 HydrophobicContact CG1-CG1 4.15Å; V828-P858 HydrophobicContact CG1-CG 4.29Å
829	I	93.5	Very high	93.4	Very high	18 Å²	18	44.1 Å²	44.1	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.2	-179.1	-52.1	179.6	0	0	0	109.6	D819 L822 R823 Q831	D819-I829 VanDerWaalsContact CA-CD1 3.43Å; D819-I829 HydrophobicContact CB-CD1 3.73Å; D819-I829 WeakPolarHBondContact O-CD1 3.18Å; L822-I829 HydrophobicContact CB-CD1 3.69Å; L822-I829 HydrophobicContact CB-CG1 4.31Å; L822-I829 HydrophobicContact CD1-CD1 4.36Å; R823-I829 HydrophobicContact CG-CD1 3.87Å; R823-I829 HydrophobicContact CG-CG1 4Å; I829-Q831 HydrophobicContact CG2-CG 4.15Å
830	L	93.9	Very high	93.4	Very high	19 Å²	19	46 Å²	46	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.8	168.5	-172.5	114.1	0	0	0	109	V794 I795 L796 S797 L832 K853 V857	V794-L830 HydrophobicContact CG1-CB 4.28Å; I795-L830 PolarHBondContact O-N 2.87Å; L796-L830 HydrophobicContact CD1-CB 4.03Å; L796-L830 HydrophobicContact CD1-CD2 3.75Å; L796-L830 HydrophobicContact CD1-CG 4.5Å; L796-L830 HydrophobicContact CG-CD2 3.74Å; S797-L830 PolarHBondContact N-O 3.04Å; L830-L832 HydrophobicContact CD2-CD2 3.55Å; L830-L832 HydrophobicContact CD2-CG 4.25Å; L830-K853 HydrophobicContact CD1-CB 3.99Å; L830-K853 WeakPolarHBondContact CD1-O 3.45Å; L830-K853 HydrophobicContact CD2-CB 3.82Å; L830-K853 HydrophobicContact CG-CB 4.39Å; L830-V857 HydrophobicContact CD1-CG2 3.79Å
831	Q	93.6	Very high	93.2	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.7	177.5	-65.3	-176.1	-1.7	0	0	110.8	L811 D819 I829	L811-Q831 VanDerWaalsContact CD1-NE2 3.31Å; D819-Q831 PolarHBondContact OD2-NE2 3.46Å; I829-Q831 HydrophobicContact CG2-CG 4.15Å
832	L	94.8	Very high	93	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	92.5	173.4	-54.4	174.3	0	0	0	107.2	V572 L796 S797 V798 N799 L830 L837 Y849 L850 K853	V572-L832 HydrophobicContact CG1-CD1 3.87Å; V572-L832 HydrophobicContact CG2-CD1 4.44Å; L796-L832 HydrophobicContact CB-CD1 4.37Å; L796-L832 HydrophobicContact CD2-CD1 4.36Å; L796-L832 HydrophobicContact CG-CD1 4.28Å; S797-L832 PolarHBondContact O-N 3.38Å; V798-L832 HydrophobicContact CG2-CD1 4.08Å; N799-L832 PolarHBondContact N-O 2.93Å; L830-L832 HydrophobicContact CD2-CD2 3.55Å; L830-L832 HydrophobicContact CD2-CG 4.25Å; L832-L837 HydrophobicContact CB-CD1 4.09Å; L832-Y849 HydrophobicContact CD2-CE1 3.86Å; L832-L850 HydrophobicContact CD1-CD2 3.7Å; L832-L850 HydrophobicContact CD2-CD2 3.83Å; L832-L850 HydrophobicContact CG-CD2 4.45Å; L832-K853 HydrophobicContact CD2-CG 4.44Å
833	P	94	Very high	93	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.078	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.2	-172.8	-18.1	33.1	0	0	0	112.9	Y804 H835 E836 L837 Y849	Y804-P833 WeakPolarHBondContact OH-CB 3.42Å; P833-H835 VanDerWaalsContact CB-CE1 3.49Å; P833-H835 WeakPolarHBondContact CB-CE1 3.39Å; P833-H835 PolarHBondContact O-N 3.45Å; P833-H835 VanDerWaalsContact O-N 3.15Å; P833-E836 HydrophobicContact CB-CG 4.24Å; P833-E836 VanDerWaalsContact CD-OE2 3.3Å; P833-E836 WeakPolarHBondContact CD-OE2 3.35Å; P833-E836 HydrophobicContact CG-CG 4.13Å; P833-E836 PolarHBondContact O-N 2.98Å; P833-L837 WeakPolarHBondContact O-CG 3.23Å; P833-L837 PolarHBondContact O-N 2.68Å; P833-Y849 WeakPolarHBondContact CD-OH 3.28Å
834	Y	92.1	Very high	93	Very high	37 Å²	37	52.2 Å²	52.2	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-45.1	-44.9	171	175.8	-87.7	0	0	0	113.3	Y568 N799 K801 E836 L837 E838	Y568-Y834 HydrophobicContact CD2-CD2 4.17Å; Y568-Y834 AromaticContact CE2-CD2 3.72Å; Y568-Y834 HydrophobicContact CE2-CD2 3.72Å; Y568-Y834 AromaticContact CE2-CE2 3.75Å; Y568-Y834 HydrophobicContact CE2-CE2 3.75Å; N799-Y834 VanDerWaalsContact O-CB 3.25Å; N799-Y834 WeakPolarHBondContact O-CB 3.35Å; N799-Y834 PolarHBondContact O-N 3.02Å; K801-Y834 HydrophobicContact CB-CD1 4.25Å; K801-Y834 HydrophobicContact CB-CD2 3.78Å; K801-Y834 HydrophobicContact CB-CE1 4.23Å; K801-Y834 HydrophobicContact CB-CE2 3.72Å; K801-Y834 HydrophobicContact CB-CG 4.05Å; K801-Y834 HydrophobicContact CD-CE1 3.91Å; K801-Y834 HydrophobicContact CD-CE2 4.17Å; K801-Y834 HydrophobicContact CG-CD1 4.19Å; K801-Y834 HydrophobicContact CG-CE1 3.94Å; K801-Y834 HydrophobicContact CG-CE2 4.25Å; K801-Y834 HydrophobicContact CG-CG 4.49Å; K801-Y834 PolarHBondContact NZ-OH 3.45Å; K801-Y834 VanDerWaalsContact NZ-OH 3.09Å; Y834-E836 VanDerWaalsContact C-N 3.25Å; Y834-E836 PolarHBondContact O-N 2.94Å; Y834-L837 PolarHBondContact O-N 3.43Å; Y834-E838 HydrophobicContact CE1-CB 4.24Å; Y834-E838 HydrophobicContact CE1-CG 4.31Å; Y834-E838 VanDerWaalsContact CE1-OE1 3.28Å; Y834-E838 WeakPolarHBondContact CE1-OE1 3.47Å; Y834-E838 WeakPolarHBondContact CE1-OE2 3.38Å; Y834-E838 WeakPolarHBondContact O-CB 3.39Å; Y834-E838 PolarHBondContact O-N 3.48Å; Y834-E838 PolarHBondContact OH-OE1 2.68Å
835	H	91.8	Very high	93	Very high	50 Å²	50	52.3 Å²	52.3	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-74.9	-9.5	-177	63.5	-114.3	0	0	0	114.3	P833 K839	P833-H835 VanDerWaalsContact CB-CE1 3.49Å; P833-H835 WeakPolarHBondContact CB-CE1 3.39Å; P833-H835 PolarHBondContact O-N 3.45Å; P833-H835 VanDerWaalsContact O-N 3.15Å; H835-K839 WeakPolarHBondContact O-CD 3.48Å; H835-K839 WeakPolarHBondContact O-CE 3.5Å; H835-K839 PolarHBondContact O-NZ 3.11Å
836	E	94.1	Very high	93.2	Very high	57 Å²	57	49.9 Å²	49.9	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-90.6	-50.5	166.5	-64	-176	170.3	0	0	108.7	P833 Y834 E838 K839 Y849 K853	P833-E836 HydrophobicContact CB-CG 4.24Å; P833-E836 VanDerWaalsContact CD-OE2 3.3Å; P833-E836 WeakPolarHBondContact CD-OE2 3.35Å; P833-E836 HydrophobicContact CG-CG 4.13Å; P833-E836 PolarHBondContact O-N 2.98Å; Y834-E836 VanDerWaalsContact C-N 3.25Å; Y834-E836 PolarHBondContact O-N 2.94Å; E836-E838 PolarHBondContact O-N 3.29Å; E836-K839 WeakPolarHBondContact O-CB 3.43Å; E836-K839 PolarHBondContact O-N 2.91Å; E836-K839 VanDerWaalsContact O-N 3.15Å; E836-Y849 HydrophobicContact CB-CE2 3.95Å; E836-Y849 WeakPolarHBondContact OE2-CE2 3.34Å; E836-Y849 VanDerWaalsContact OE2-CZ 3.23Å; E836-Y849 PolarHBondContact OE2-OH 2.93Å; E836-K853 VanDerWaalsContact CD-NZ 3.32Å; E836-K853 IonicContact OE1-NZ 2.73Å; E836-K853 PolarHBondContact OE1-NZ 3.46Å; E836-K853 WeakPolarHBondContact OE2-CE 3.44Å; E836-K853 IonicContact OE2-NZ 3.61Å; E836-K853 PolarHBondContact OE2-NZ 2.79Å
837	L	92.6	Very high	93.3	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-38.4	-178.8	-65.2	170.9	0	0	0	113.9	Y568 V572 V798 L832 P833 Y834 K839 L840 Y849	Y568-L837 HydrophobicContact CD1-CB 4.23Å; Y568-L837 HydrophobicContact CD2-CB 4.03Å; Y568-L837 HydrophobicContact CD2-CD1 4.4Å; Y568-L837 HydrophobicContact CE2-CB 4.4Å; Y568-L837 HydrophobicContact CG-CB 3.95Å; Y568-L837 HydrophobicContact CG-CD1 4.23Å; V572-L837 HydrophobicContact CG2-CD2 4.21Å; V798-L837 HydrophobicContact CG1-CD1 4.29Å; L832-L837 HydrophobicContact CB-CD1 4.09Å; P833-L837 WeakPolarHBondContact O-CG 3.23Å; P833-L837 PolarHBondContact O-N 2.68Å; Y834-L837 PolarHBondContact O-N 3.43Å; L837-K839 PolarHBondContact O-N 3.4Å; L837-K839 VanDerWaalsContact O-N 3.15Å; L837-L840 HydrophobicContact CD2-CD1 4.21Å; L837-L840 PolarHBondContact O-N 3.15Å; L837-L840 VanDerWaalsContact O-N 3.14Å; L837-Y849 HydrophobicContact CD2-CD1 4.2Å; L837-Y849 HydrophobicContact CD2-CE1 3.6Å; L837-Y849 HydrophobicContact CG-CE1 4.47Å
838	E	93.1	Very high	93.4	Very high	98 Å²	98	54.8 Å²	54.8	46%	0.458	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.1	178.4	-177.6	177.3	-126.5	0	0	113.4	Y568 Y834 E836	Y568-E838 WeakPolarHBondContact OH-CA 3.27Å; Y834-E838 HydrophobicContact CE1-CB 4.24Å; Y834-E838 HydrophobicContact CE1-CG 4.31Å; Y834-E838 VanDerWaalsContact CE1-OE1 3.28Å; Y834-E838 WeakPolarHBondContact CE1-OE1 3.47Å; Y834-E838 WeakPolarHBondContact CE1-OE2 3.38Å; Y834-E838 WeakPolarHBondContact O-CB 3.39Å; Y834-E838 PolarHBondContact O-N 3.48Å; Y834-E838 PolarHBondContact OH-OE1 2.68Å; E836-E838 PolarHBondContact O-N 3.29Å
839	K	94.1	Very high	93.5	Very high	141 Å²	141	54 Å²	54	61%	0.613	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.6	178.8	-63.5	167.4	-178.3	143.9	0	113.5	H835 E836 L837 N841	H835-K839 WeakPolarHBondContact O-CD 3.48Å; H835-K839 WeakPolarHBondContact O-CE 3.5Å; H835-K839 PolarHBondContact O-NZ 3.11Å; E836-K839 WeakPolarHBondContact O-CB 3.43Å; E836-K839 PolarHBondContact O-N 2.91Å; E836-K839 VanDerWaalsContact O-N 3.15Å; L837-K839 PolarHBondContact O-N 3.4Å; L837-K839 VanDerWaalsContact O-N 3.15Å; K839-N841 PolarHBondContact O-ND2 2.52Å
840	L	93.4	Very high	93.5	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.209	26%	0.262	C	S	.	.			trans	-91.7	126.4	-170.8	-54.8	175.2	0	0	0	111.4	L837 G842 E845 V846 Y849	L837-L840 HydrophobicContact CD2-CD1 4.21Å; L837-L840 PolarHBondContact O-N 3.15Å; L837-L840 VanDerWaalsContact O-N 3.14Å; L840-G842 PolarHBondContact O-N 3.13Å; L840-E845 HydrophobicContact CB-CB 4.22Å; L840-E845 HydrophobicContact CD2-CB 4.36Å; L840-V846 HydrophobicContact CB-CG2 3.79Å; L840-V846 HydrophobicContact CD1-CG2 3.92Å; L840-Y849 HydrophobicContact CD1-CD1 3.63Å; L840-Y849 HydrophobicContact CD1-CD2 4.09Å; L840-Y849 HydrophobicContact CD1-CE1 4.19Å; L840-Y849 HydrophobicContact CD1-CG 3.57Å
841	N	90.1	Very high	93.4	Very high	123 Å²	123	57.3 Å²	57.3	66%	0.658	28%	0.28	S	S	*	.			trans	-100.9	86	-169.4	-56.6	-88.9	0	0	0	110.6	K839 E845	K839-N841 PolarHBondContact O-ND2 2.52Å; N841-E845 PolarHBondContact N-OE2 2.87Å; N841-E845 PolarHBondContact ND2-OE2 3.33Å; N841-E845 VanDerWaalsContact ND2-OE2 3.09Å
842	G	89.9	Confident	93.4	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	29%	0.294	S	S	.	.	S	Bend	trans	79.7	-171.9	178.2	0	0	0	0	0	113.5	L840 V846	L840-G842 PolarHBondContact O-N 3.13Å; G842-V846 WeakPolarHBondContact O-CG2 3.29Å; G842-V846 PolarHBondContact O-N 2.8Å
843	I	93.3	Very high	93.2	Very high	46 Å²	46	62.1 Å²	62.1	24%	0.236	30%	0.302	C	S	.	.	H	α-helix	trans	-74.6	-36.2	-157.9	-170.3	157	0	0	0	114.9	L571 E574 A575 V846 K847	L571-I843 HydrophobicContact CD1-CB 4.39Å; E574-I843 HydrophobicContact CB-CD1 4.28Å; E574-I843 HydrophobicContact CG-CD1 3.59Å; A575-I843 HydrophobicContact CB-CG1 4.19Å; I843-V846 PolarHBondContact O-N 3.07Å; I843-K847 HydrophobicContact CD1-CD 4.48Å; I843-K847 HydrophobicContact CG1-CD 3.74Å; I843-K847 HydrophobicContact CG1-CG 4.11Å; I843-K847 WeakPolarHBondContact O-CB 3.44Å; I843-K847 VanDerWaalsContact O-CG 3.25Å; I843-K847 WeakPolarHBondContact O-CG 3.42Å; I843-K847 PolarHBondContact O-N 3.21Å
844	E	94.3	Very high	93	Very high	112 Å²	112	62.5 Å²	62.5	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-69.6	-36.3	-177.4	-60.9	-52.6	137.6	0	0	112.5	K847 Q848	E844-K847 PolarHBondContact O-N 3.14Å; E844-K847 IonicContact OE1-NZ 3.86Å; E844-K847 PolarHBondContact OE1-NZ 2.8Å; E844-K847 WeakPolarHBondContact OE2-CE 3.44Å; E844-K847 IonicContact OE2-NZ 3.66Å; E844-K847 PolarHBondContact OE2-NZ 3.11Å; E844-Q848 PolarHBondContact O-N 3.48Å
845	E	95.6	Very high	92.7	Very high	81 Å²	81	66.8 Å²	66.8	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-42	172.2	-69.7	-175.1	-162.4	0	0	111.1	L840 N841 Q848 Y849	L840-E845 HydrophobicContact CB-CB 4.22Å; L840-E845 HydrophobicContact CD2-CB 4.36Å; N841-E845 PolarHBondContact N-OE2 2.87Å; N841-E845 PolarHBondContact ND2-OE2 3.33Å; N841-E845 VanDerWaalsContact ND2-OE2 3.09Å; E845-Q848 PolarHBondContact O-N 2.99Å; E845-Y849 VanDerWaalsContact O-CB 3.22Å; E845-Y849 WeakPolarHBondContact O-CB 3.48Å; E845-Y849 PolarHBondContact O-N 3.34Å
846	V	94.9	Very high	92.4	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-38.2	174.3	177.2	0	0	0	0	111.7	L571 A575 L840 G842 I843 Y849 L850	L571-V846 HydrophobicContact CD2-CG2 3.86Å; L571-V846 HydrophobicContact CG-CG2 4.15Å; A575-V846 HydrophobicContact CB-CB 4.35Å; A575-V846 HydrophobicContact CB-CG1 3.7Å; L840-V846 HydrophobicContact CB-CG2 3.79Å; L840-V846 HydrophobicContact CD1-CG2 3.92Å; G842-V846 WeakPolarHBondContact O-CG2 3.29Å; G842-V846 PolarHBondContact O-N 2.8Å; I843-V846 PolarHBondContact O-N 3.07Å; V846-Y849 PolarHBondContact O-N 3.1Å; V846-L850 HydrophobicContact CG1-CD1 3.82Å; V846-L850 HydrophobicContact CG1-CG 4.25Å; V846-L850 WeakPolarHBondContact O-CB 3.22Å; V846-L850 VanDerWaalsContact O-CG 3.23Å; V846-L850 WeakPolarHBondContact O-CG 3.3Å; V846-L850 PolarHBondContact O-N 3.33Å
847	K	94.9	Very high	91.9	Very high	32 Å²	32	66.7 Å²	66.7	14%	0.139	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-46.6	175.9	-74.1	164.8	58	-175.5	0	111.6	A575 Q578 L579 I843 E844 Y849 L850 H851	A575-K847 HydrophobicContact CB-CG 3.76Å; Q578-K847 HydrophobicContact CB-CD 4.16Å; L579-K847 HydrophobicContact CD1-CB 4.22Å; L579-K847 HydrophobicContact CD1-CG 4.34Å; L579-K847 WeakPolarHBondContact CD1-O 3.19Å; L579-K847 HydrophobicContact CD2-CB 4.07Å; L579-K847 HydrophobicContact CD2-CG 4.47Å; L579-K847 HydrophobicContact CG-CB 4.07Å; L579-K847 HydrophobicContact CG-CG 4.02Å; I843-K847 HydrophobicContact CD1-CD 4.48Å; I843-K847 HydrophobicContact CG1-CD 3.74Å; I843-K847 HydrophobicContact CG1-CG 4.11Å; I843-K847 WeakPolarHBondContact O-CB 3.44Å; I843-K847 VanDerWaalsContact O-CG 3.25Å; I843-K847 WeakPolarHBondContact O-CG 3.42Å; I843-K847 PolarHBondContact O-N 3.21Å; E844-K847 PolarHBondContact O-N 3.14Å; E844-K847 IonicContact OE1-NZ 3.86Å; E844-K847 PolarHBondContact OE1-NZ 2.8Å; E844-K847 WeakPolarHBondContact OE2-CE 3.44Å; E844-K847 IonicContact OE2-NZ 3.66Å; E844-K847 PolarHBondContact OE2-NZ 3.11Å; K847-Y849 VanDerWaalsContact C-N 3.34Å; K847-Y849 PolarHBondContact O-N 3.06Å; K847-L850 PolarHBondContact O-N 2.76Å; K847-H851 WeakPolarHBondContact O-CB 3.41Å; K847-H851 PolarHBondContact O-N 3.22Å
848	Q	94.4	Very high	91	Very high	145 Å²	145	70.4 Å²	70.4	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-61.4	-44	176.3	-175.6	175.1	-2	0	0	111.5	E844 E845 H851 Q852	E844-Q848 PolarHBondContact O-N 3.48Å; E845-Q848 PolarHBondContact O-N 2.99Å; Q848-H851 PolarHBondContact O-N 2.93Å; Q848-Q852 PolarHBondContact O-N 3.23Å
849	Y	95.5	Very high	89.7	Confident	25 Å²	25	71 Å²	71	10%	0.098	36%	0.362	C	S	.	.	H	α-helix	trans	-60.6	-48.4	175.9	166.9	-100.1	0	0	0	112.8	L832 P833 E836 L837 L840 E845 V846 K847 H851 Q852 K853	L832-Y849 HydrophobicContact CD2-CE1 3.86Å; P833-Y849 WeakPolarHBondContact CD-OH 3.28Å; E836-Y849 HydrophobicContact CB-CE2 3.95Å; E836-Y849 WeakPolarHBondContact OE2-CE2 3.34Å; E836-Y849 VanDerWaalsContact OE2-CZ 3.23Å; E836-Y849 PolarHBondContact OE2-OH 2.93Å; L837-Y849 HydrophobicContact CD2-CD1 4.2Å; L837-Y849 HydrophobicContact CD2-CE1 3.6Å; L837-Y849 HydrophobicContact CG-CE1 4.47Å; L840-Y849 HydrophobicContact CD1-CD1 3.63Å; L840-Y849 HydrophobicContact CD1-CD2 4.09Å; L840-Y849 HydrophobicContact CD1-CE1 4.19Å; L840-Y849 HydrophobicContact CD1-CG 3.57Å; E845-Y849 VanDerWaalsContact O-CB 3.22Å; E845-Y849 WeakPolarHBondContact O-CB 3.48Å; E845-Y849 PolarHBondContact O-N 3.34Å; V846-Y849 PolarHBondContact O-N 3.1Å; K847-Y849 VanDerWaalsContact C-N 3.34Å; K847-Y849 PolarHBondContact O-N 3.06Å; Y849-H851 PolarHBondContact O-N 3.46Å; Y849-Q852 PolarHBondContact O-N 2.81Å; Y849-K853 HydrophobicContact CD2-CG 4.39Å; Y849-K853 HydrophobicContact CE1-CG 4.45Å; Y849-K853 HydrophobicContact CE2-CD 4.38Å; Y849-K853 HydrophobicContact CE2-CG 4.1Å; Y849-K853 WeakPolarHBondContact O-CG 3.34Å; Y849-K853 PolarHBondContact O-N 2.95Å; Y849-K853 WeakPolarHBondContact OH-CE 3.38Å
850	L	94.2	Very high	89.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-40.4	177.4	-73.1	169.4	0	0	0	112	V572 A575 L576 L579 L796 L832 V846 K847 K853 L854	V572-L850 HydrophobicContact CG1-CD1 4.19Å; V572-L850 HydrophobicContact CG1-CD2 4.15Å; A575-L850 HydrophobicContact CB-CD1 3.62Å; L576-L850 HydrophobicContact CD2-CD1 4.08Å; L576-L850 HydrophobicContact CG-CD1 4.08Å; L579-L850 HydrophobicContact CD1-CB 3.81Å; L579-L850 HydrophobicContact CD1-CD1 4.41Å; L796-L850 HydrophobicContact CD2-CD2 4.17Å; L832-L850 HydrophobicContact CD1-CD2 3.7Å; L832-L850 HydrophobicContact CD2-CD2 3.83Å; L832-L850 HydrophobicContact CG-CD2 4.45Å; V846-L850 HydrophobicContact CG1-CD1 3.82Å; V846-L850 HydrophobicContact CG1-CG 4.25Å; V846-L850 WeakPolarHBondContact O-CB 3.22Å; V846-L850 VanDerWaalsContact O-CG 3.23Å; V846-L850 WeakPolarHBondContact O-CG 3.3Å; V846-L850 PolarHBondContact O-N 3.33Å; K847-L850 PolarHBondContact O-N 2.76Å; L850-K853 PolarHBondContact O-N 2.89Å; L850-L854 WeakPolarHBondContact O-CB 3.19Å; L850-L854 VanDerWaalsContact O-CG 3.3Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 3.05Å
851	H	91.7	Very high	89.3	Confident	106 Å²	106	69 Å²	69	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-45	175.4	-177.6	-83.2	0	0	0	111.5	L579 K847 Q848 Y849 L854 L855	L579-H851 HydrophobicContact CD2-CB 4.37Å; K847-H851 WeakPolarHBondContact O-CB 3.41Å; K847-H851 PolarHBondContact O-N 3.22Å; Q848-H851 PolarHBondContact O-N 2.93Å; Y849-H851 PolarHBondContact O-N 3.46Å; H851-L854 PolarHBondContact O-N 3.02Å; H851-L855 PolarHBondContact O-N 2.93Å
852	Q	91.9	Very high	89.2	Confident	114 Å²	114	66 Å²	66	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-51	174.9	-178.3	175	-3	0	0	111.4	Q848 Y849 L854 L855 D856	Q848-Q852 PolarHBondContact O-N 3.23Å; Y849-Q852 PolarHBondContact O-N 2.81Å; Q852-L854 PolarHBondContact O-N 2.69Å; Q852-L855 WeakPolarHBondContact O-CA 3.34Å; Q852-L855 WeakPolarHBondContact O-CB 3.3Å; Q852-L855 PolarHBondContact O-N 3.5Å; Q852-D856 PolarHBondContact O-N 2.76Å
853	K	92	Very high	89.2	Confident	41 Å²	41	67.6 Å²	67.6	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-34.3	178.9	-69.5	-73.2	-171.3	177.1	0	112.6	L830 L832 E836 Y849 L850 L855 D856	L830-K853 HydrophobicContact CD1-CB 3.99Å; L830-K853 WeakPolarHBondContact CD1-O 3.45Å; L830-K853 HydrophobicContact CD2-CB 3.82Å; L830-K853 HydrophobicContact CG-CB 4.39Å; L832-K853 HydrophobicContact CD2-CG 4.44Å; E836-K853 VanDerWaalsContact CD-NZ 3.32Å; E836-K853 IonicContact OE1-NZ 2.73Å; E836-K853 PolarHBondContact OE1-NZ 3.46Å; E836-K853 WeakPolarHBondContact OE2-CE 3.44Å; E836-K853 IonicContact OE2-NZ 3.61Å; E836-K853 PolarHBondContact OE2-NZ 2.79Å; Y849-K853 HydrophobicContact CD2-CG 4.39Å; Y849-K853 HydrophobicContact CE1-CG 4.45Å; Y849-K853 HydrophobicContact CE2-CD 4.38Å; Y849-K853 HydrophobicContact CE2-CG 4.1Å; Y849-K853 WeakPolarHBondContact O-CG 3.34Å; Y849-K853 PolarHBondContact O-N 2.95Å; Y849-K853 WeakPolarHBondContact OH-CE 3.38Å; L850-K853 PolarHBondContact O-N 2.89Å; K853-L855 VanDerWaalsContact C-N 3.33Å; K853-D856 PolarHBondContact O-N 3.32Å
854	L	88.9	Confident	89	Confident	20 Å²	20	68.9 Å²	68.9	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-28.9	175.3	-75.6	168.3	0	0	0	113.2	L580 L601 L796 L850 H851 Q852 V857	L580-L854 HydrophobicContact CD1-CD1 4.16Å; L580-L854 HydrophobicContact CD2-CD1 4.4Å; L601-L854 HydrophobicContact CD2-CD2 4.05Å; L796-L854 HydrophobicContact CD1-CD2 3.97Å; L850-L854 WeakPolarHBondContact O-CB 3.19Å; L850-L854 VanDerWaalsContact O-CG 3.3Å; L850-L854 WeakPolarHBondContact O-CG 3.47Å; L850-L854 PolarHBondContact O-N 3.05Å; H851-L854 PolarHBondContact O-N 3.02Å; Q852-L854 PolarHBondContact O-N 2.69Å; L854-V857 WeakPolarHBondContact O-CG2 3.48Å
855	L	86.8	Confident	88.6	Confident	128 Å²	128	66.1 Å²	66.1	67%	0.67	33%	0.33	S	S	*	.	H	α-helix	trans	-75.2	-29.7	170.6	-63.3	173.1	0	0	0	112.4	H851 Q852 K853 V857	H851-L855 PolarHBondContact O-N 2.93Å; Q852-L855 WeakPolarHBondContact O-CA 3.34Å; Q852-L855 WeakPolarHBondContact O-CB 3.3Å; Q852-L855 PolarHBondContact O-N 3.5Å; K853-L855 VanDerWaalsContact C-N 3.33Å; L855-V857 PolarHBondContact O-N 3.16Å
856	D	84.3	Confident	88.1	Confident	99 Å²	99	65 Å²	65	53%	0.529	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.9	175.4	-59.7	-34.2	0	0	0	113.3	Q852 K853	Q852-D856 PolarHBondContact O-N 2.76Å; K853-D856 PolarHBondContact O-N 3.32Å
857	V	83.5	Confident	87.6	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.036	35%	0.352	C	S	.	.	S	Bend	trans	-69.7	124.2	177	177.3	0	0	0	0	109.8	L603 V794 V828 L830 L854 L855 L859	L603-V857 HydrophobicContact CD1-CB 4.12Å; L603-V857 HydrophobicContact CD1-CG1 3.78Å; L603-V857 HydrophobicContact CD1-CG2 4.42Å; V794-V857 HydrophobicContact CG1-CG2 4.43Å; V794-V857 HydrophobicContact CG2-CG1 4.04Å; V828-V857 HydrophobicContact CG1-CG1 4.15Å; L830-V857 HydrophobicContact CD1-CG2 3.79Å; L854-V857 WeakPolarHBondContact O-CG2 3.48Å; L855-V857 PolarHBondContact O-N 3.16Å; V857-L859 PolarHBondContact O-N 3.36Å
858	P	73.3	Confident	87	Confident	82 Å²	82	73.1 Å²	73.1	53%	0.532	37%	0.369	S	S	.	.			trans	-63	125.6	177.6	24.8	-33.5	0	0	0	111.2	R792 V828	R792-P858 PolarHBondContact NH1-O 2.97Å; V828-P858 HydrophobicContact CG1-CG 4.29Å
859	L	67	Low	86.3	Confident	111 Å²	111	66.5 Å²	66.5	58%	0.581	34%	0.341	S	S	*	.			trans	-95.1	0	177.1	-56.3	-175.7	0	0	0	113.3	L603 R792 V857	L603-L859 HydrophobicContact CD1-CD2 4.43Å; R792-L859 PolarHBondContact NE-OXT 2.67Å; R792-L859 PolarHBondContact NH1-O 2.99Å; R792-L859 PolarHBondContact NH2-O 3.24Å; R792-L859 PolarHBondContact NH2-OXT 2.9Å; V857-L859 PolarHBondContact O-N 3.36Å

Retrieved 859 of 859 residues in 519.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).