A0A087XZ70_POEFO Loading...

GC-rich sequence DNA-binding factor 2

AlphaFold DB , UniProt , Accession A0A087XZ70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 870 aa.

						>A0A087XZ70_POEFO|A0A087XZ70
MFNKKPRRNFRQRKQSSSEDEDQQKNGGEGDEPEEAPSVINKPPKATQSRGISCSSKREATPPQAVSSDGEAAAEALEVTEDRDDKDGTKTTKSSVLSFTDDKEAEESTFKLKRSSDKAVVFKARKKEAPPTKTSRSKASGGADAPPSVSPSHGDSSEASPYSQHSDDDDNNDSDDDDDDDDTSSNDGDNDSDGGFARSPASSSNTDSSCSAAKPTVIPRAEEIHAARRQRRAARTQKEFIPLGRDGRSSAGRTPDHYSRDDEEDRVENDDDDEPDDHERRIEFAPRMKSIRERIAEKLGGSDGSLSGSDEEEQELWEQTQIGKGVKRRPGEQSPSGSESSSYSSSSRPDRGGHKKRLTGAKIPKTLPLVSVSTVKKRITKKLDSLKEVYRARQAELRRMEGDAENAKSSLELLEESSSEAQLRFYRTMILYVHNLVECLQEKIIEINALELEMHTLLSDHMEALLAQRRKRIKEEADRLQQLSYDSEEQTGSSGVQCEVARNPEEDFNLPEDAKLSAEEEEKLQETIADIQSRARAVFADVQDDFCDVKKILSRFEEWRRSYSDSYHNAYISLCLPKLLNPIVRHQLLMWNPLKDIGGEFENLPWFTAVETFCHGHGHEELEHTDRQTLSNVIEKTLLPKMTSHVELVWDPFSHQQSTCLSAVCHRLREDYSIFEGEQSKPVKGFIEAVVHRLRSCVDEDVFIPLYPKKLLEDRLSPQRRFRDEQFWMAVKLLGNMGKWDLLLPESILKELMLDKLLNRYLMITLSSEMLSSRVVSTHRKIAECLPDSWFEGESVCLPQLQNFRNDIVQKVHSLCKQQPSEDPSSRAAVVEELKVLSRLRCYDSILALTGKYHYEDVVYSHQLLNQERE
					

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	31.3	Very low	36.4	Very low	238 Å²	238	178.7 Å²	178.7	100%	1.172	80%	0.799	S	S	*	*				0	160.5	0	-75	179.9	173.3	0	0	109.7
2	F	30	Very low	35.8	Very low	178 Å²	178	176.3 Å²	176.3	78%	0.781	79%	0.79	S	S	*	*			trans	17.1	119.9	152.4	-78.9	-105.6	0	0	0	119.2
3	N	34.2	Very low	35.3	Very low	102 Å²	102	179.4 Å²	179.4	55%	0.545	79%	0.792	S	S	.	*				69.4	140.9	77.6	-73.2	-50.7	0	0	0	112.7
4	K	42.4	Very low	34.9	Very low	149 Å²	149	179.4 Å²	179.4	65%	0.648	79%	0.792	S	S	*	*			cis	-175.5	172.6	9.6	-124.3	164.3	-172.1	128.7	0	112.4
5	K	40.8	Very low	34.4	Very low	180 Å²	180	178.1 Å²	178.1	78%	0.783	79%	0.789	S	S	*	*			trans	75.9	162	140.9	-82.4	173.2	175.7	-178	0	117.7
6	P	59.3	Low	34	Very low	106 Å²	106	174.6 Å²	174.6	69%	0.688	79%	0.792	S	S	*	*				-144.4	-179	-69.8	37.5	-16.3	0	0	0	114
7	R	31.8	Very low	33.6	Very low	254 Å²	254	170.7 Å²	170.7	96%	0.958	79%	0.791	S	S	*	*				-173.1	-176.2	119.8	-105.8	171.4	162.4	155	-5.5	112.9
8	R	32.1	Very low	33.3	Very low	232 Å²	232	166.3 Å²	166.3	88%	0.875	78%	0.782	S	S	*	*			trans	-143.6	136.5	-155.6	-173.3	-179.7	-174.5	179.5	2.5	110.6
9	N	39.1	Very low	33.2	Very low	152 Å²	152	167.3 Å²	167.3	81%	0.813	79%	0.787	S	S	*	*			trans	-70.2	154	-171.6	-56.1	-15	0	0	0	114.5
10	F	27.6	Very low	33.3	Very low	176 Å²	176	166.5 Å²	166.5	77%	0.772	79%	0.788	S	S	*	*			trans	-157.5	120.4	157	-112.1	-77.7	0	0	0	114.9
11	R	31.8	Very low	33.4	Very low	199 Å²	199	167.6 Å²	167.6	75%	0.751	79%	0.792	S	S	*	*			trans	44.5	129.7	144.8	-75.5	-175.4	175.1	-178.8	-1	125.2
12	Q	29.2	Very low	33.6	Very low	149 Å²	149	162.7 Å²	162.7	70%	0.696	77%	0.771	S	S	*	*				88.4	117.1	122.8	-78.5	-177	-53.3	0	0	124.8
13	R	29.9	Very low	33.7	Very low	217 Å²	217	162.9 Å²	162.9	82%	0.819	77%	0.774	S	S	*	*				76.7	108	114.7	-167.8	-168.2	-168	-176.8	5.3	121.5
14	K	28.7	Very low	33.7	Very low	180 Å²	180	165.9 Å²	165.9	78%	0.783	79%	0.785	S	S	*	*			trans	175.3	151.2	131.7	-94.8	178.1	176.4	-171.7	0	107.5
15	Q	28.5	Very low	33.2	Very low	160 Å²	160	167.5 Å²	167.5	75%	0.748	79%	0.792	S	S	*	*			cis	88.2	140.2	36.2	-157.3	-179.8	17.7	0	0	112.9
16	S	27	Very low	32.7	Very low	121 Å²	121	166.6 Å²	166.6	85%	0.846	80%	0.796	S	S	*	*			trans	72.9	157.9	-177.2	72.1	0	0	0	0	116.5
17	S	26.9	Very low	31.3	Very low	109 Å²	109	165.3 Å²	165.3	76%	0.762	80%	0.802	S	S	*	*			cis	178.8	155.7	-27.1	179.4	0	0	0	0	109.5
18	S	28.7	Very low	31.1	Very low	91 Å²	91	156.4 Å²	156.4	64%	0.636	79%	0.789	S	S	*	*			trans	63.5	125.9	150.6	-166.2	0	0	0	0	120.6
19	E	32.3	Very low	31	Very low	186 Å²	186	155.3 Å²	155.3	87%	0.869	79%	0.794	S	S	*	*				-172.4	162.2	110.3	-98.1	171	163.8	0	0	110.5
20	D	33.8	Very low	30.6	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	79%	0.792	S	S	*	*			trans	-123	-171.3	-154.7	-82.4	-66.2	0	0	0	114.6
21	E	36.3	Very low	30.8	Very low	190 Å²	190	151 Å²	151	89%	0.888	80%	0.797	S	S	*	*			trans	83.8	139.1	167.3	-61.1	-172.6	-173.5	0	0	119.1
22	D	35	Very low	30.8	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	80%	0.801	S	S	*	*			cis	-165.5	159.9	-26.5	-164.2	0.9	0	0	0	109.9
23	Q	32.5	Very low	31.5	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	80%	0.796	S	S	*	*			trans	150.8	93.9	142.3	-81.3	-176.2	37.9	0	0	116.2
24	Q	33.6	Very low	31.6	Very low	165 Å²	165	145.2 Å²	145.2	77%	0.771	80%	0.795	S	S	*	*			trans	17	124.5	141	-59.2	-175.3	-17	0	0	122
25	K	33	Very low	31.6	Very low	183 Å²	183	145.2 Å²	145.2	80%	0.796	80%	0.798	S	S	*	*				-177.2	152.1	97.7	-101.2	170.6	-175.8	169.2	0	115.1
26	N	29.7	Very low	31.8	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	80%	0.797	S	S	*	*			trans	-5.5	148.8	164.3	-46.8	3	0	0	0	119.8
27	G	29.6	Very low	32.6	Very low	79 Å²	79	141.7 Å²	141.7	81%	0.814	79%	0.793	S	S	*	*			cis	149.2	150.8	-1	0	0	0	0	0	113.2
28	G	28.3	Very low	32.7	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	79%	0.79	S	S	*	*			trans	98.8	112.4	-173.8	0	0	0	0	0	111.5
29	E	30.3	Very low	32.7	Very low	210 Å²	210	142.6 Å²	142.6	98%	0.981	79%	0.794	S	S	*	*				79.7	122.8	63.1	-70.4	-175.8	147.9	0	0	113.4
30	G	30.7	Very low	32.6	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	78%	0.783	S	S	*	*			trans	162.1	50	-173.7	0	0	0	0	0	116.7
31	D	31	Very low	32.5	Very low	163 Å²	163	140.2 Å²	140.2	87%	0.872	79%	0.786	S	S	*	*			trans	23.7	121.8	158.8	-61.7	-13.5	0	0	0	122.7
32	E	30.7	Very low	32.4	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	78%	0.781	S	S	*	*			trans	-72.1	173.5	144.9	-112.5	-173.8	-144.6	0	0	110
33	P	45.7	Very low	32.2	Very low	89 Å²	89	138.9 Å²	138.9	58%	0.578	78%	0.783	S	S	*	*			cis	-152.4	-171	38.6	45.2	-23.7	0	0	0	118
34	E	31.4	Very low	32.5	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	78%	0.784	S	S	*	*			trans	69.6	151.5	150.4	-78.2	158.7	-166.2	0	0	118.9
35	E	28.8	Very low	32.4	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	79%	0.791	S	S	*	*			cis	-141.5	161.3	7.1	-149.7	-179.5	-171.9	0	0	111.8
36	A	32.7	Very low	32.4	Very low	87 Å²	87	134.8 Å²	134.8	72%	0.719	79%	0.792	S	S	*	*			trans	-141.7	154.9	170.4	0	0	0	0	0	109.8
37	P	43.5	Very low	32.3	Very low	120 Å²	120	134 Å²	134	78%	0.779	79%	0.793	S	S	*	*				-152.8	171.6	103.2	37.9	-19.5	0	0	0	118.2
38	S	28.7	Very low	32.5	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	80%	0.797	S	S	*	*			trans	-24.2	163.5	160.4	62.6	0	0	0	0	119.3
39	V	29.5	Very low	32.5	Very low	120 Å²	120	141 Å²	141	73%	0.727	80%	0.798	S	S	*	*				-156.6	119.1	59.1	173.3	0	0	0	0	115.5
40	I	30	Very low	32.4	Very low	123 Å²	123	142.2 Å²	142.2	63%	0.631	79%	0.794	S	S	*	*			trans	31.9	122.3	131.3	-50.1	167.4	0	0	0	120.1
41	N	31.4	Very low	32.2	Very low	163 Å²	163	142.2 Å²	142.2	87%	0.872	79%	0.794	S	S	*	*				-157.3	165.5	119.7	-109.6	-49	0	0	0	114.3
42	K	34.2	Very low	32.2	Very low	179 Å²	179	142.3 Å²	142.3	78%	0.778	79%	0.792	S	S	*	*			trans	-125.1	149.5	-166.7	-58.8	170	-178.2	165.6	0	113.5
43	P	31.1	Very low	31.9	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	79%	0.792	S	S	*	*			trans	-86.3	158.7	151.4	34.3	-31.3	0	0	0	112.5
44	P	38.2	Very low	31	Very low	132 Å²	132	141 Å²	141	86%	0.857	80%	0.804	S	S	*	*			trans	-91.4	179.3	-174.3	36.5	-36.8	0	0	0	115.2
45	K	32	Very low	30.7	Very low	212 Å²	212	138.6 Å²	138.6	92%	0.922	81%	0.806	S	S	*	*			trans	-87.4	153.1	-178.4	-71.4	-176.3	174.9	-178.4	0	113.9
46	A	32.7	Very low	30.8	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	81%	0.807	S	S	*	*			trans	-80.9	169.2	176.2	0	0	0	0	0	115.1
47	T	28.6	Very low	30.6	Very low	143 Å²	143	140.7 Å²	140.7	88%	0.877	81%	0.811	S	S	*	*			trans	-132.4	147.9	165.8	37.1	0	0	0	0	111.9
48	Q	33.9	Very low	29.9	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	82%	0.819	S	S	*	*			trans	-77	167.9	-171.2	-56.4	146.9	-13.4	0	0	111.5
49	S	26.7	Very low	29.7	Very low	102 Å²	102	150.7 Å²	150.7	71%	0.713	83%	0.826	S	S	*	*			cis	-160.3	-174.7	28.4	52.2	0	0	0	0	109.1
50	R	29.1	Very low	29.6	Very low	235 Å²	235	149.8 Å²	149.8	89%	0.887	83%	0.831	S	S	*	*			cis	-179.1	123.4	41.3	-156.8	176.5	-170.3	171.1	1.8	113.7
51	G	26.4	Very low	29.6	Very low	75 Å²	75	149.8 Å²	149.8	77%	0.773	84%	0.837	S	S	*	*			trans	70.2	168	165.8	0	0	0	0	0	116.3
52	I	30.6	Very low	29.9	Very low	164 Å²	164	147 Å²	147	84%	0.841	83%	0.828	S	S	*	*			cis	-137.5	145.2	-12.9	-58.2	176.8	0	0	0	106.5
53	S	24.8	Very low	29.9	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	83%	0.83	S	S	*	*			trans	-126.1	131.3	174.8	-174.7	0	0	0	0	111.2
54	C	25.8	Very low	29.7	Very low	122 Å²	122	148 Å²	148	82%	0.824	84%	0.836	S	S	*	*			trans	-129.6	107.3	177.7	-70.6	0	0	0	0	109.6
55	S	26.9	Very low	29.2	Very low	122 Å²	122	146.3 Å²	146.3	85%	0.853	83%	0.833	S	S	*	*			trans	-82.8	136.6	173.2	57	0	0	0	0	111.4
56	S	30.1	Very low	28.8	Very low	122 Å²	122	142.6 Å²	142.6	85%	0.853	83%	0.828	S	S	*	*			trans	-112.4	140.9	165.6	-167.2	0	0	0	0	110.8
57	K	28	Very low	28.6	Very low	189 Å²	189	143.1 Å²	143.1	82%	0.822	83%	0.826	S	S	*	*			trans	-91.8	153.5	174.1	-77.8	-178.6	169.6	-174.2	0	110.3
58	R	29	Very low	28.4	Very low	250 Å²	250	140.3 Å²	140.3	94%	0.943	81%	0.812	S	S	*	*			trans	-130.5	146.7	137.5	-97.3	-169.8	170.7	-172.1	-3.2	111
59	E	24.5	Very low	28.1	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	81%	0.809	S	S	*	*			trans	-76	152	-176.1	-70.6	151.8	108.8	0	0	112.5
60	A	27.9	Very low	28	Very low	101 Å²	101	137 Å²	137	84%	0.835	81%	0.808	S	S	*	*			trans	-138.6	134.6	153.6	0	0	0	0	0	107.2
61	T	29.4	Very low	28.1	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	81%	0.811	S	S	*	*			trans	-129.1	126.2	-176.4	-55.1	0	0	0	0	109.1
62	P	37.6	Very low	28.1	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	81%	0.81	S	S	*	*			trans	-91.6	-179	-176.3	38.7	-37.6	0	0	0	112.3
63	P	34	Very low	27.9	Very low	127 Å²	127	132.9 Å²	132.9	83%	0.825	81%	0.808	S	S	*	*			trans	-121.9	162.4	130.5	35.8	-30.4	0	0	0	113.2
64	Q	27.5	Very low	28.1	Very low	192 Å²	192	131.6 Å²	131.6	90%	0.897	80%	0.804	S	S	*	*			trans	-94.9	173.8	-177.1	-60.7	173.2	-92.2	0	0	112.6
65	A	27.1	Very low	28.1	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	81%	0.806	S	S	*	*			trans	-124	138.3	169.2	0	0	0	0	0	112.4
66	V	24.7	Very low	28.1	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	80%	0.796	S	S	*	*			trans	-162.7	124.4	161.4	-99.3	0	0	0	0	105.4
67	S	27.3	Very low	28	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	79%	0.793	S	S	*	*				63.3	131.2	82.4	-172.6	0	0	0	0	112.3
68	S	26	Very low	27.8	Very low	83 Å²	83	132.9 Å²	132.9	58%	0.58	79%	0.792	S	S	*	*			cis	-155.1	161.6	23.4	-145.2	0	0	0	0	113.4
69	D	26.3	Very low	27.7	Very low	158 Å²	158	126.9 Å²	126.9	85%	0.845	78%	0.782	S	S	*	*			trans	49.9	148.1	153.9	-47.1	-45.5	0	0	0	122.2
70	G	25.8	Very low	27.8	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	78%	0.778	S	S	*	*			cis	173.7	171.1	-5	0	0	0	0	0	114.9
71	E	29.8	Very low	27.7	Very low	202 Å²	202	127.3 Å²	127.3	94%	0.944	78%	0.776	S	S	*	*			trans	70.2	137	164.1	-65	-143.2	128.4	0	0	125.1
72	A	26.5	Very low	27.6	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	77%	0.768	S	S	*	*			trans	89.3	97.4	136.9	0	0	0	0	0	124.5
73	A	27.3	Very low	27.3	Very low	96 Å²	96	130.8 Å²	130.8	79%	0.793	77%	0.77	S	S	*	*				84	127.5	116.2	0	0	0	0	0	124.2
74	A	28.5	Very low	27.1	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	76%	0.76	S	S	*	*			trans	65.6	160.4	145.9	0	0	0	0	0	118.3
75	E	26.4	Very low	27.3	Very low	182 Å²	182	126 Å²	126	85%	0.85	74%	0.744	S	S	*	*			cis	-158.3	-175.9	-15.8	-131.1	-177.4	162.9	0	0	108.9
76	A	26.6	Very low	27.6	Very low	78 Å²	78	129.2 Å²	129.2	65%	0.645	74%	0.739	S	S	*	*			trans	48.7	113.8	150	0	0	0	0	0	120.3
77	L	27.6	Very low	27.9	Very low	154 Å²	154	130 Å²	130	81%	0.806	74%	0.739	S	S	*	*				77.2	136.3	82.5	-76.4	167.6	0	0	0	116.7
78	E	24.9	Very low	28	Very low	168 Å²	168	127.6 Å²	127.6	79%	0.785	73%	0.732	S	S	*	*			trans	64	129.6	152.4	-70.4	-177	176.7	0	0	118.9
79	V	25.4	Very low	28.4	Very low	124 Å²	124	129 Å²	129	75%	0.752	74%	0.737	S	S	*	*			cis	99.9	149.8	47.3	163.6	0	0	0	0	112.2
80	T	27.3	Very low	28.7	Very low	121 Å²	121	130.4 Å²	130.4	74%	0.742	74%	0.735	S	S	*	*			trans	71.6	131.3	-165.4	66.8	0	0	0	0	114.5
81	E	26	Very low	29	Very low	168 Å²	168	132.8 Å²	132.8	79%	0.785	74%	0.737	S	S	*	*			cis	101.2	140.3	25	-72.9	-168.6	133.2	0	0	114.9
82	D	27.2	Very low	29	Very low	111 Å²	111	129.6 Å²	129.6	59%	0.594	73%	0.731	S	S	*	*			trans	65.7	149.8	162.9	-71.4	-12.2	0	0	0	119.7
83	R	31.8	Very low	30	Very low	188 Å²	188	135 Å²	135	71%	0.709	74%	0.738	S	S	*	*			cis	-166.3	175.6	-28.9	-126.8	-176.8	-85.2	164.5	1.8	106.8
84	D	29.8	Very low	30.3	Very low	118 Å²	118	135.7 Å²	135.7	63%	0.631	74%	0.737	S	S	*	*			cis	-146.6	-162.3	5.3	-134.5	-18.3	0	0	0	106.1
85	D	30.9	Very low	30.4	Very low	102 Å²	102	136.2 Å²	136.2	55%	0.545	74%	0.735	S	S	.	*			cis	-155.5	-172.6	13.6	-154.8	1.4	0	0	0	112.8
86	K	33.3	Very low	30.8	Very low	163 Å²	163	133.4 Å²	133.4	71%	0.709	73%	0.73	S	S	*	*			trans	-25.2	149.2	162.2	-63.5	155.5	-158.4	78.9	0	116.4
87	D	30.6	Very low	31	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	74%	0.739	S	S	*	*			cis	-145.5	145	42.9	-162.4	33.5	0	0	0	109
88	G	31.1	Very low	31	Very low	60 Å²	60	134.4 Å²	134.4	62%	0.619	73%	0.732	S	S	*	*			cis	105.5	129.4	44.9	0	0	0	0	0	109.6
89	T	33.8	Very low	31.2	Very low	114 Å²	114	135.8 Å²	135.8	70%	0.699	74%	0.735	S	S	*	*			cis	-155	137.9	1.7	-52.2	0	0	0	0	112
90	K	32.3	Very low	31.3	Very low	186 Å²	186	135.6 Å²	135.6	81%	0.809	74%	0.735	S	S	*	*			trans	143.2	136.7	148.6	-80	155.7	-155.1	174.5	0	111.2
91	T	31.1	Very low	31.5	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	74%	0.739	S	S	*	*			cis	76	144.1	11.9	86.9	0	0	0	0	116.2
92	T	30.4	Very low	31.7	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	73%	0.733	S	S	*	*			cis	-129	169.8	14.7	45.5	0	0	0	0	114.8
93	K	48.8	Very low	31.9	Very low	205 Å²	205	136.5 Å²	136.5	89%	0.891	73%	0.734	S	S	*	*			trans	-134	171.5	-176.1	-55.1	177	-179.7	178.9	0	112.3
94	S	32.3	Very low	32	Very low	110 Å²	110	135 Å²	135	77%	0.769	74%	0.735	S	S	*	*			trans	-158.7	150.1	157.3	49.8	0	0	0	0	109.1
95	S	30.1	Very low	32.1	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	74%	0.742	S	S	*	*			cis	85.7	134.9	1.1	-45.4	0	0	0	0	118.1
96	V	36.4	Very low	32.1	Very low	123 Å²	123	138.3 Å²	138.3	75%	0.745	76%	0.759	S	S	*	*			cis	-159.1	147.9	-9.2	121.4	0	0	0	0	110.6
97	L	30.9	Very low	32.2	Very low	159 Å²	159	139.8 Å²	139.8	83%	0.832	77%	0.769	S	S	*	*			trans	24	144.3	159.3	-57.8	172.1	0	0	0	125.4
98	S	27.5	Very low	32.4	Very low	93 Å²	93	138.2 Å²	138.2	65%	0.65	77%	0.769	S	S	*	*			trans	79.7	120.8	139.8	-171.7	0	0	0	0	121.9
99	F	28.7	Very low	32.5	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.864	78%	0.778	S	S	*	*				-169.6	-175.1	114	-106.9	-66.1	0	0	0	112.2
100	T	27.6	Very low	32.3	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	79%	0.787	S	S	*	*			trans	-126.2	150.1	-159.7	51.9	0	0	0	0	115.3
101	D	30.2	Very low	32.3	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	79%	0.786	S	S	*	*			trans	84.7	144.8	143.1	-142.3	13.1	0	0	0	123.5
102	D	31	Very low	32.5	Very low	121 Å²	121	147.5 Å²	147.5	65%	0.647	79%	0.791	S	S	*	*			trans	59.9	145.8	157.9	-141.9	11.8	0	0	0	125.5
103	K	31.9	Very low	32.6	Very low	140 Å²	140	150.9 Å²	150.9	61%	0.609	80%	0.795	S	S	*	*			trans	78	109.5	158.8	-57.5	-154.5	165.1	-70.9	0	124.6
104	E	32.7	Very low	31.9	Very low	156 Å²	156	152.4 Å²	152.4	73%	0.729	80%	0.795	S	S	*	*				72.5	119.2	122.4	-67	169.7	-148.9	0	0	122.5
105	A	32.8	Very low	32	Very low	95 Å²	95	152.6 Å²	152.6	79%	0.785	80%	0.796	S	S	*	*			trans	52.1	115.9	142.6	0	0	0	0	0	122.1
106	E	30.3	Very low	32.2	Very low	195 Å²	195	152.4 Å²	152.4	91%	0.911	80%	0.795	S	S	*	*				-170.5	162.1	99.7	-105.6	-172.5	175	0	0	112.6
107	E	36.7	Very low	32.1	Very low	195 Å²	195	154.3 Å²	154.3	91%	0.911	80%	0.801	S	S	*	*			trans	-76.5	137.9	179.1	-57.7	-178.6	123	0	0	112.4
108	S	33.3	Very low	32.4	Very low	117 Å²	117	155.5 Å²	155.5	82%	0.818	80%	0.799	S	S	*	*			trans	-148.3	122.2	160.6	55.4	0	0	0	0	114.1
109	T	34.3	Very low	32.6	Very low	131 Å²	131	155.6 Å²	155.6	80%	0.804	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.5	123.3	-175.1	45.5	0	0	0	0	113
110	F	28.4	Very low	32.9	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.873	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-91.3	121.4	177.2	-148.6	-98.8	0	0	0	112.2
111	K	33.9	Very low	33	Very low	181 Å²	181	151.9 Å²	151.9	79%	0.787	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.1	117	-177	-71.2	176.3	179.6	170.4	0	111.5	K113	K111-K113 PolarHBondContact O-N 2.78Å
112	L	33.9	Very low	32.9	Very low	162 Å²	162	153.7 Å²	153.7	85%	0.848	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.1	125	178.5	-138.1	81.6	0	0	0	111.9	R114	L112-R114 PolarHBondContact O-N 3.15Å
113	K	32.6	Very low	33	Very low	206 Å²	206	157.1 Å²	157.1	90%	0.896	81%	0.809	S	S	*	*			trans	-89.7	89.1	-175.5	-173.2	179	-179.3	-179.5	0	110.8	K111 S115	K111-K113 PolarHBondContact O-N 2.78Å; K113-S115 PolarHBondContact O-N 3.12Å
114	R	34.5	Very low	33.1	Very low	236 Å²	236	155.7 Å²	155.7	89%	0.891	82%	0.823	S	S	*	*			trans	-58.6	127.5	177.1	-72	-173.7	174.9	-176.1	-2.2	111.7	L112	L112-R114 PolarHBondContact O-N 3.15Å
115	S	35.4	Very low	33	Very low	114 Å²	114	160.2 Å²	160.2	80%	0.797	83%	0.834	S	S	*	*			trans	-70.9	156.2	162.2	42.7	0	0	0	0	110.6	K113	K113-S115 PolarHBondContact O-N 3.12Å
116	S	33	Very low	32.9	Very low	102 Å²	102	166 Å²	166	71%	0.713	84%	0.841	S	S	*	*			trans	-118.4	112.3	-173	62	0	0	0	0	112
117	D	35.4	Very low	33.1	Very low	164 Å²	164	166.5 Å²	166.5	88%	0.877	84%	0.84	S	S	*	*			trans	-113.4	153.1	169.3	-97.7	-56.4	0	0	0	112.9
118	K	36.4	Very low	32.7	Very low	183 Å²	183	166.1 Å²	166.1	80%	0.796	84%	0.838	S	S	*	*			trans	-112.8	99	-156.7	-64.4	171.9	-174.8	165.6	0	112.2	V120	K118-V120 PolarHBondContact O-N 2.84Å
119	A	32.7	Very low	32.6	Very low	96 Å²	96	164.9 Å²	164.9	79%	0.793	84%	0.835	S	S	*	*			trans	-67.4	128.8	169.3	0	0	0	0	0	111.5
120	V	33.1	Very low	33	Very low	123 Å²	123	164.4 Å²	164.4	75%	0.745	83%	0.834	S	S	*	*			trans	-102.8	111.4	176.2	177.3	0	0	0	0	109.4	K118 F122	K118-V120 PolarHBondContact O-N 2.84Å; V120-F122 HydrophobicContact CG1-CE2 4.37Å
121	V	30.9	Very low	33.8	Very low	116 Å²	116	160.5 Å²	160.5	70%	0.703	83%	0.829	S	S	*	*			trans	-108.4	118.9	-178.8	179.4	0	0	0	0	110.6
122	F	28.9	Very low	33.5	Very low	195 Å²	195	157.9 Å²	157.9	86%	0.855	83%	0.828	S	S	*	*			trans	-76.4	125	173.8	-77.1	-92.5	0	0	0	111.3	V120	V120-F122 HydrophobicContact CG1-CE2 4.37Å
123	K	32.7	Very low	33.3	Very low	194 Å²	194	158.8 Å²	158.8	84%	0.843	83%	0.825	S	S	*	*			trans	-106.5	115	172.1	-72.3	-172.8	176.4	-178.3	0	110.9
124	A	32.9	Very low	33.1	Very low	110 Å²	110	155.2 Å²	155.2	91%	0.909	82%	0.821	S	S	*	*			trans	-68.4	144.9	170.8	0	0	0	0	0	111.3
125	R	30.7	Very low	32.9	Very low	251 Å²	251	150 Å²	150	95%	0.947	82%	0.821	S	S	*	*			trans	-118.9	105.7	-169.4	-167.5	-179.9	-171.2	-178.4	4.4	111.1
126	K	30.6	Very low	32.6	Very low	216 Å²	216	156.3 Å²	156.3	94%	0.939	83%	0.827	S	S	*	*			trans	-88.4	158.6	172.1	-111.7	175.6	178.5	175.5	0	111.4
127	K	35.1	Very low	32.6	Very low	206 Å²	206	157 Å²	157	90%	0.896	83%	0.831	S	S	*	*			trans	-141.5	145.9	-179.2	-168.1	177.5	178.6	-174.4	0	110.3
128	E	28.5	Very low	32.5	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	83%	0.831	S	S	*	*			trans	-81.3	179.2	-175.4	-48.6	165.4	116.7	0	0	111.6
129	A	31.4	Very low	32.1	Very low	90 Å²	90	153.6 Å²	153.6	74%	0.744	82%	0.823	S	S	*	*			cis	-155.2	-159.1	12.1	0	0	0	0	0	108
130	P	42.2	Very low	32	Very low	122 Å²	122	154.7 Å²	154.7	79%	0.792	83%	0.825	S	S	*	*			cis	-130.7	-171.4	-4.1	42.1	-21.7	0	0	0	114.3
131	P	44.4	Very low	31.7	Very low	116 Å²	116	152.7 Å²	152.7	75%	0.753	83%	0.829	S	S	*	*			trans	-121.9	-175.6	-156.6	44.5	-36.1	0	0	0	117.5
132	T	27.4	Very low	31.5	Very low	126 Å²	126	151.3 Å²	151.3	77%	0.773	84%	0.839	S	S	*	*			trans	-163.5	132.7	142.9	10.7	0	0	0	0	116.8
133	K	31.3	Very low	31.6	Very low	181 Å²	181	146.7 Å²	146.7	79%	0.787	84%	0.837	S	S	*	*			trans	62.6	97.4	141.4	-69.9	175.9	-177.9	-178.6	0	124.3
134	T	27.8	Very low	31.4	Very low	132 Å²	132	145.8 Å²	145.8	81%	0.81	84%	0.841	S	S	*	*				42.9	126.6	116.1	58.2	0	0	0	0	123.3
135	S	30	Very low	31.4	Very low	127 Å²	127	144.8 Å²	144.8	89%	0.888	83%	0.833	S	S	*	*				-150.5	173.4	117.6	77.8	0	0	0	0	110.4
136	R	30.3	Very low	32.4	Very low	246 Å²	246	138.6 Å²	138.6	93%	0.928	83%	0.825	S	S	*	*			trans	-156.2	139.2	-167	-172.6	-177.4	-173.9	-175.3	5.4	113.3
137	S	32.4	Very low	33.2	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	82%	0.82	S	S	*	*			trans	-109.9	179	173.4	59.1	0	0	0	0	112.7
138	K	32.3	Very low	33	Very low	198 Å²	198	129.9 Å²	129.9	86%	0.861	81%	0.814	S	S	*	*			trans	-158.2	151.5	177.4	-167.7	-165.2	169.9	-168.1	0	111.8
139	A	28.7	Very low	33.1	Very low	78 Å²	78	127.9 Å²	127.9	65%	0.645	82%	0.815	S	S	*	*			trans	79.1	137.7	161.1	0	0	0	0	0	117
140	S	29.6	Very low	33	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	82%	0.815	S	S	*	*			cis	92	120.4	11.6	86.6	0	0	0	0	118
141	G	26.9	Very low	33.2	Very low	81 Å²	81	128.2 Å²	128.2	84%	0.835	81%	0.812	S	S	*	*			trans	155.3	140.9	155.9	0	0	0	0	0	115.5
142	G	27.2	Very low	32.4	Very low	87 Å²	87	127.1 Å²	127.1	90%	0.897	81%	0.807	S	S	*	*			trans	97.6	131.7	160.1	0	0	0	0	0	116.8
143	A	32.1	Very low	32.6	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	81%	0.814	S	S	*	*			trans	-148.8	152.3	167.9	0	0	0	0	0	108.7
144	D	28.1	Very low	32.3	Very low	176 Å²	176	126 Å²	126	94%	0.941	82%	0.818	S	S	*	*			trans	-155	168	163.1	-111.7	-40.6	0	0	0	110.6
145	A	31.7	Very low	32.4	Very low	89 Å²	89	126.8 Å²	126.8	74%	0.736	82%	0.817	S	S	*	*			trans	-111.5	175.5	-152.1	0	0	0	0	0	115.6
146	P	51.9	Low	32.4	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	81%	0.814	S	S	*	*			trans	-98.5	-169.7	-163.4	43.6	-39	0	0	0	113.6
147	P	47.7	Very low	32.5	Very low	128 Å²	128	119.8 Å²	119.8	83%	0.831	81%	0.806	S	S	*	*				-147.6	-179.5	82.7	40.3	-21.9	0	0	0	116.1
148	S	31.5	Very low	32.3	Very low	110 Å²	110	123.4 Å²	123.4	77%	0.769	81%	0.81	S	S	*	*			trans	-112.9	147.8	-179.4	54.5	0	0	0	0	113.6
149	V	29.1	Very low	31.9	Very low	146 Å²	146	118.8 Å²	118.8	89%	0.885	81%	0.808	S	S	*	*			trans	-147.3	149.5	157.3	-173.3	0	0	0	0	110.6
150	S	30.9	Very low	31.9	Very low	109 Å²	109	120.1 Å²	120.1	76%	0.762	81%	0.813	S	S	*	*			trans	-100.7	-146.3	-179.1	-42.8	0	0	0	0	110.9
151	P	45.5	Very low	32.6	Very low	110 Å²	110	120.1 Å²	120.1	71%	0.714	81%	0.81	S	S	*	*			cis	-138.2	172	-26.6	39.4	-21.3	0	0	0	116.4
152	S	27.4	Very low	32.6	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	81%	0.81	S	S	*	*			trans	40.7	134.8	137.6	70.5	0	0	0	0	126.3
153	H	31.8	Very low	32.8	Very low	201 Å²	201	126.6 Å²	126.6	93%	0.931	80%	0.798	S	S	*	*			trans	57.4	134.7	134.6	-68.3	-62	0	0	0	123.6
154	G	25.1	Very low	32.7	Very low	83 Å²	83	129.8 Å²	129.8	86%	0.856	80%	0.796	S	S	*	*			trans	-171.3	136.8	160	0	0	0	0	0	109.9
155	D	30.5	Very low	32.9	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	79%	0.786	S	S	*	*			trans	-113.6	152.8	-169.7	176.6	38.4	0	0	0	112.6
156	S	28.8	Very low	33	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	77%	0.774	S	S	*	*			trans	179.3	138	155.6	-79.8	0	0	0	0	112.2
157	S	33.2	Very low	32.2	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	77%	0.772	S	S	*	*			trans	-102.9	157.7	178.1	-57	0	0	0	0	112.7
158	E	27.3	Very low	31.7	Very low	191 Å²	191	129.1 Å²	129.1	89%	0.893	77%	0.767	S	S	*	*				-173	153.6	129.6	-111.8	-173.6	160.7	0	0	116.4
159	A	24.4	Very low	32.1	Very low	100 Å²	100	131.1 Å²	131.1	83%	0.826	77%	0.769	S	S	*	*			trans	66.9	128.8	150.8	0	0	0	0	0	123.7
160	S	29.1	Very low	32.5	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	76%	0.762	S	S	*	*			trans	-114.1	160.8	152.9	-159.1	0	0	0	0	107.5
161	P	44	Very low	32.9	Very low	119 Å²	119	132 Å²	132	77%	0.773	76%	0.76	S	S	*	*				-158.5	159.4	81.1	41.1	-20.1	0	0	0	119.3
162	Y	26.7	Very low	32.4	Very low	210 Å²	210	133.6 Å²	133.6	82%	0.824	76%	0.763	S	S	*	*			trans	33.8	118	143.9	-91.8	-110.1	0	0	0	124.5
163	S	31.7	Very low	32.9	Very low	94 Å²	94	136 Å²	136	66%	0.657	77%	0.769	S	S	*	*				55	127.4	124.8	-52.4	0	0	0	0	124.6
164	Q	29.6	Very low	33.2	Very low	165 Å²	165	130.4 Å²	130.4	77%	0.771	75%	0.752	S	S	*	*				179.8	141.4	105.8	-105.7	-172.2	-57.2	0	0	114.9
165	H	32.4	Very low	33.8	Very low	155 Å²	155	132.8 Å²	132.8	72%	0.718	75%	0.745	S	S	*	*			trans	55.5	158	156.9	-68.9	-72.2	0	0	0	121.8
166	S	35.2	Very low	34.1	Very low	70 Å²	70	132.4 Å²	132.4	49%	0.49	74%	0.743	S	S	.	*			cis	177.6	170.3	-45.5	60.5	0	0	0	0	107.5
167	D	35.2	Very low	34.6	Very low	137 Å²	137	133.5 Å²	133.5	73%	0.733	74%	0.74	S	S	*	*			cis	-116.4	-103.5	5.4	-73.5	-88.6	0	0	0	112.1
168	D	36.9	Very low	34.8	Very low	138 Å²	138	135 Å²	135	74%	0.738	74%	0.739	S	S	*	*			cis	-154	141.9	-1.5	-61.3	-104.2	0	0	0	109
169	D	38.6	Very low	35.3	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	74%	0.736	S	S	*	*			trans	16.3	152.6	161.3	-54.7	-18.9	0	0	0	123.9
170	D	39	Very low	36	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	74%	0.735	S	S	*	*			cis	-153	-178.7	14	-147	-24.5	0	0	0	113.7
171	N	39.4	Very low	36.4	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	74%	0.738	S	S	*	*			trans	-85.1	-175.6	-168.5	-61.1	-88.2	0	0	0	113.8
172	N	34.6	Very low	36	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	74%	0.735	S	S	*	*			cis	-157	169.1	20.3	-165.5	68.9	0	0	0	113.4
173	D	36.9	Very low	36.3	Very low	144 Å²	144	133.9 Å²	133.9	77%	0.77	73%	0.729	S	S	*	*			trans	-93.2	-171.5	177.5	-137.7	-32.2	0	0	0	113.7
174	S	38.3	Very low	36.5	Very low	83 Å²	83	134.7 Å²	134.7	58%	0.58	74%	0.735	S	S	*	*			trans	117.6	107.3	154.9	-72.4	0	0	0	0	120.3
175	D	38.1	Very low	36.8	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	73%	0.733	S	S	*	*				78.2	151.5	110.9	-49.8	-30.8	0	0	0	124.9
176	D	37.6	Very low	36.9	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	73%	0.734	S	S	*	*			trans	72.8	99.1	155.1	-59.9	-7.2	0	0	0	123.7
177	D	38.3	Very low	36.8	Very low	142 Å²	142	134.8 Å²	134.8	76%	0.759	75%	0.748	S	S	*	*				69.7	156.8	106.4	-67.8	-0.7	0	0	0	126.4
178	D	37.1	Very low	36.7	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	75%	0.751	S	S	*	*			trans	70.2	102.4	154.7	-68.8	-2.6	0	0	0	124.2
179	D	37.6	Very low	36.6	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	76%	0.756	S	S	*	*				63.4	175.2	110.2	-88.8	1	0	0	0	124.4
180	D	39.1	Very low	36.4	Very low	150 Å²	150	131.9 Å²	131.9	80%	0.802	75%	0.751	S	S	*	*			trans	67.2	76.3	172.1	-74.8	-7.8	0	0	0	120.1
181	D	37.1	Very low	36.2	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	75%	0.747	S	S	*	*				49	162.2	103.7	-148.7	14.5	0	0	0	123.1
182	D	35.9	Very low	36	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	75%	0.747	S	S	*	*			trans	82	153.6	154	-136.8	-5.7	0	0	0	120.8
183	T	34.7	Very low	35.8	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.693	75%	0.751	S	S	*	*			trans	-104.6	153.4	-156.5	57.7	0	0	0	0	111.1
184	S	35.6	Very low	35.6	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	75%	0.746	S	S	*	*				164.8	159.9	110.1	52.9	0	0	0	0	114.7
185	S	35.9	Very low	35.1	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	76%	0.755	S	S	*	*			trans	-11.8	153.9	155.8	-42.1	0	0	0	0	118.4
186	N	33.5	Very low	34.7	Very low	139 Å²	139	129.4 Å²	129.4	74%	0.743	76%	0.763	S	S	*	*			cis	-165.8	176.8	43.9	-156.8	82	0	0	0	113.7
187	D	33.9	Very low	34.5	Very low	147 Å²	147	126.9 Å²	126.9	79%	0.786	76%	0.762	S	S	*	*			trans	-57.2	161.2	177	-43.8	-87.2	0	0	0	116.4
188	G	33.3	Very low	34.1	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	77%	0.769	S	S	*	*			trans	-171.8	57	178.5	0	0	0	0	0	117.9
189	D	34.9	Very low	33.8	Very low	155 Å²	155	130 Å²	130	83%	0.829	77%	0.769	S	S	*	*			trans	19	113.1	156.7	-75.6	-35.4	0	0	0	122.9
190	N	33.6	Very low	34.2	Very low	135 Å²	135	128.5 Å²	128.5	72%	0.722	77%	0.767	S	S	*	*				83	135.1	108	-160.3	42.7	0	0	0	124.4
191	D	33.8	Very low	33.8	Very low	120 Å²	120	125.6 Å²	125.6	64%	0.642	76%	0.764	S	S	*	*			trans	91.8	122.6	142.8	-111	-39.5	0	0	0	125.2
192	S	36.5	Very low	33.8	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	76%	0.761	S	S	*	*			trans	60.9	149.5	139.2	-75	0	0	0	0	122.6
193	D	30.8	Very low	33.5	Very low	161 Å²	161	122.9 Å²	122.9	86%	0.861	77%	0.768	S	S	*	*			cis	-165.1	160.8	-14.8	172.5	44.4	0	0	0	110.2
194	G	31	Very low	33.3	Very low	65 Å²	65	122.9 Å²	122.9	67%	0.67	77%	0.772	S	S	*	*			trans	98	130.8	152.1	0	0	0	0	0	117.9
195	G	29.8	Very low	33.1	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	77%	0.767	S	S	*	*			trans	-171.5	-32.4	175.7	0	0	0	0	0	120.7
196	F	28.7	Very low	32.9	Very low	201 Å²	201	125.6 Å²	125.6	88%	0.882	78%	0.775	S	S	*	*			trans	53	108.2	169.2	-97	-93.6	0	0	0	121.4
197	A	32.4	Very low	32.7	Very low	88 Å²	88	125 Å²	125	73%	0.727	77%	0.772	S	S	*	*			trans	69.7	159.8	138.6	0	0	0	0	0	119.4
198	R	31.3	Very low	32.4	Very low	241 Å²	241	123.8 Å²	123.8	91%	0.909	78%	0.775	S	S	*	*			cis	-154.5	139.6	12.8	-152.3	172.7	-164.6	178.7	4.1	112.2
199	S	30.3	Very low	32.3	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	78%	0.781	S	S	*	*			trans	-80.1	174.9	173.1	-36.9	0	0	0	0	112.4
200	P	45.5	Very low	32.2	Very low	122 Å²	122	125.2 Å²	125.2	79%	0.792	78%	0.784	S	S	*	*				-154.3	151.1	78	40.1	-20.1	0	0	0	119.7
201	A	32.3	Very low	32.2	Very low	89 Å²	89	124.1 Å²	124.1	74%	0.736	79%	0.787	S	S	*	*			trans	71.4	143.9	133.7	0	0	0	0	0	122.2
202	S	35.2	Very low	32.3	Very low	110 Å²	110	122.9 Å²	122.9	77%	0.769	79%	0.793	S	S	*	*			cis	-167.8	163.6	-11.3	-105.9	0	0	0	0	114.4
203	S	30.2	Very low	32.4	Very low	120 Å²	120	123 Å²	123	84%	0.839	80%	0.8	S	S	*	*			trans	75	157.5	171.5	80.1	0	0	0	0	115.6
204	S	31.8	Very low	33.1	Very low	112 Å²	112	124.4 Å²	124.4	78%	0.783	80%	0.798	S	S	*	*			cis	-130.7	179.7	8	63.9	0	0	0	0	113.6
205	N	30.8	Very low	33.7	Very low	125 Å²	125	127 Å²	127	67%	0.668	80%	0.803	S	S	*	*			trans	-94.4	147.8	-168.4	-63.3	31.3	0	0	0	114.3	D207	N205-D207 PolarHBondContact ND2-OD2 2.83Å
206	T	31.3	Very low	34.3	Very low	148 Å²	148	130.1 Å²	130.1	91%	0.908	81%	0.808	S	S	*	*			trans	-125.2	131.1	137	37.6	0	0	0	0	108
207	D	29.5	Very low	35.8	Very low	128 Å²	128	126.8 Å²	126.8	68%	0.684	80%	0.803	S	S	*	*			trans	-114.2	124.6	-173.4	-84	-67.5	0	0	0	111.1	N205	N205-D207 PolarHBondContact ND2-OD2 2.83Å
208	S	28.4	Very low	36.9	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	80%	0.803	S	S	*	*			trans	-160.4	101.7	169.5	-81	0	0	0	0	111.3
209	S	29.8	Very low	38.7	Very low	132 Å²	132	121.3 Å²	121.3	92%	0.923	78%	0.783	S	S	*	*			trans	-162.8	156.6	161.6	-95.5	0	0	0	0	114
210	C	33.1	Very low	40.5	Very low	130 Å²	130	125.8 Å²	125.8	88%	0.878	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.1	-173.3	-168.9	0	0	0	0	113.8
211	S	34.7	Very low	41.6	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-80.3	125.7	176.8	63.4	0	0	0	0	112.3
212	A	34.9	Very low	43.7	Very low	94 Å²	94	126.9 Å²	126.9	78%	0.777	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63.6	155.7	177.1	0	0	0	0	0	113.7
213	A	37.6	Very low	45.6	Very low	104 Å²	104	127 Å²	127	86%	0.86	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65	135.2	-171.8	0	0	0	0	0	113.8
214	K	46	Very low	47.3	Very low	192 Å²	192	124.9 Å²	124.9	84%	0.835	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.8	143.8	170.6	-66.1	177.6	-177.7	173.9	0	110.2	T216	K214-T216 PolarHBondContact O-N 2.97Å
215	P	44.8	Very low	49.6	Very low	119 Å²	119	125.1 Å²	125.1	77%	0.773	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.6	134.3	-179.1	26.7	-34.7	0	0	0	112	V217	P215-V217 PolarHBondContact O-N 2.94Å; P215-V217 VanDerWaalsContact O-N 3.14Å
216	T	41.2	Very low	51.9	Low	140 Å²	140	121.6 Å²	121.6	86%	0.859	72%	0.719	S	S	*	*			trans	-74.7	101.7	-174.6	-16.9	0	0	0	0	111.5	K214 I218	K214-T216 PolarHBondContact O-N 2.97Å; T216-I218 PolarHBondContact O-N 3.08Å
217	V	60.4	Low	53.9	Low	130 Å²	130	116.1 Å²	116.1	79%	0.788	69%	0.689	S	S	*	*			trans	-73.5	111.5	171.7	-179.2	0	0	0	0	109.1	P215 P219	P215-V217 PolarHBondContact O-N 2.94Å; P215-V217 VanDerWaalsContact O-N 3.14Å; V217-P219 WeakPolarHBondContact O-CD 3.33Å
218	I	56.6	Low	56	Low	138 Å²	138	118 Å²	118	71%	0.708	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-72.6	123.5	175.5	-57.8	176.8	0	0	0	108.7	T216 I224	T216-I218 PolarHBondContact O-N 3.08Å; I218-I224 HydrophobicContact CG2-CD1 4.15Å
219	P	67.6	Low	58.5	Low	77 Å²	77	121 Å²	121	50%	0.5	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-60.5	160.2	176.7	-24.6	35.5	0	0	0	112.9	V217 E223 I224	V217-P219 WeakPolarHBondContact O-CD 3.33Å; P219-E223 HydrophobicContact CB-CB 4.39Å; P219-E223 WeakPolarHBondContact CB-OE2 3.28Å; P219-I224 HydrophobicContact CB-CG1 4.42Å; P219-I224 WeakPolarHBondContact O-CD1 3.48Å
220	R	69.8	Low	60.6	Low	198 Å²	198	121.7 Å²	121.7	75%	0.747	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.9	150	-176.5	-67.5	-173	173.6	-166.1	-0.3	111.1	E222 E223 I224	R220-E222 PolarHBondContact O-N 3.43Å; R220-E223 HydrophobicContact CB-CG 4.46Å; R220-E223 PolarHBondContact N-OE2 2.85Å; R220-E223 WeakPolarHBondContact O-CB 3.42Å; R220-E223 PolarHBondContact O-N 2.89Å; R220-I224 PolarHBondContact O-N 3.08Å; R220-I224 VanDerWaalsContact O-N 3.1Å
221	A	68	Low	62.3	Low	73 Å²	73	124.2 Å²	124.2	60%	0.603	66%	0.659	S	S	*	*	H	α-helix	trans	-55.9	-30.7	-174.1	0	0	0	0	0	113.8	H225	A221-H225 WeakPolarHBondContact O-CB 3.26Å; A221-H225 PolarHBondContact O-N 2.84Å
222	E	76.4	Confident	64	Low	162 Å²	162	127.3 Å²	127.3	76%	0.757	65%	0.653	S	S	*	*	H	α-helix	trans	-68.4	-41.1	176.1	-62.1	179	146.8	0	0	112.4	R220 H225 A226	R220-E222 PolarHBondContact O-N 3.43Å; E222-H225 CarbonylContact O-C 3.41Å; E222-H225 PolarHBondContact O-N 3.17Å; E222-A226 WeakPolarHBondContact O-CB 3.36Å; E222-A226 PolarHBondContact O-N 2.84Å
223	E	75.1	Confident	65.5	Low	113 Å²	113	125.3 Å²	125.3	53%	0.528	64%	0.637	S	S	.	*	H	α-helix	trans	-66.6	-41.8	176.1	-58	171.3	128.9	0	0	110.3	P219 R220 H225 A226 A227	P219-E223 HydrophobicContact CB-CB 4.39Å; P219-E223 WeakPolarHBondContact CB-OE2 3.28Å; R220-E223 HydrophobicContact CB-CG 4.46Å; R220-E223 PolarHBondContact N-OE2 2.85Å; R220-E223 WeakPolarHBondContact O-CB 3.42Å; R220-E223 PolarHBondContact O-N 2.89Å; E223-H225 VanDerWaalsContact C-N 3.34Å; E223-H225 PolarHBondContact O-N 3.35Å; E223-A226 PolarHBondContact O-N 3.37Å; E223-A227 WeakPolarHBondContact O-CB 3.32Å; E223-A227 PolarHBondContact O-N 3.47Å
224	I	66.5	Low	66.7	Low	75 Å²	75	123.4 Å²	123.4	39%	0.385	62%	0.621	S	S	.	*	H	α-helix	trans	-61.1	-43.5	172.7	-62.3	174.9	0	0	0	110.3	I218 P219 R220 R228	I218-I224 HydrophobicContact CG2-CD1 4.15Å; P219-I224 HydrophobicContact CB-CG1 4.42Å; P219-I224 WeakPolarHBondContact O-CD1 3.48Å; R220-I224 PolarHBondContact O-N 3.08Å; R220-I224 VanDerWaalsContact O-N 3.1Å; I224-R228 VanDerWaalsContact O-CB 3.22Å; I224-R228 WeakPolarHBondContact O-CB 3.34Å; I224-R228 PolarHBondContact O-N 3.43Å
225	H	78.8	Confident	67.8	Low	116 Å²	116	122.5 Å²	122.5	54%	0.537	61%	0.613	S	S	.	*	H	α-helix	trans	-68.6	-34.6	176.1	-96.4	-114.2	0	0	0	113.5	A221 E222 E223 R229	A221-H225 WeakPolarHBondContact O-CB 3.26Å; A221-H225 PolarHBondContact O-N 2.84Å; E222-H225 CarbonylContact O-C 3.41Å; E222-H225 PolarHBondContact O-N 3.17Å; E223-H225 VanDerWaalsContact C-N 3.34Å; E223-H225 PolarHBondContact O-N 3.35Å; H225-R229 WeakPolarHBondContact O-CB 3.34Å; H225-R229 PolarHBondContact O-N 3.03Å
226	A	78.9	Confident	68.4	Low	51 Å²	51	121.8 Å²	121.8	42%	0.421	61%	0.606	S	S	.	*	H	α-helix	trans	-65.6	-51.7	174.2	0	0	0	0	0	110.8	E222 E223 R228 R229 Q230	E222-A226 WeakPolarHBondContact O-CB 3.36Å; E222-A226 PolarHBondContact O-N 2.84Å; E223-A226 PolarHBondContact O-N 3.37Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 2.92Å; A226-R229 WeakPolarHBondContact O-CA 3.39Å; A226-R229 WeakPolarHBondContact O-CB 3.37Å; A226-R229 PolarHBondContact O-N 2.96Å; A226-Q230 PolarHBondContact O-N 2.88Å
227	A	72.8	Confident	69	Low	34 Å²	34	122.9 Å²	122.9	28%	0.281	60%	0.602	S	S	.	*	H	α-helix	trans	-58.8	-38.9	175.5	0	0	0	0	0	112.1	E223 R229 Q230 R231	E223-A227 WeakPolarHBondContact O-CB 3.32Å; E223-A227 PolarHBondContact O-N 3.47Å; A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.11Å; A227-Q230 PolarHBondContact O-N 3.03Å; A227-R231 WeakPolarHBondContact O-CB 3.4Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.48Å; A227-R231 PolarHBondContact O-N 2.97Å
228	R	75.2	Confident	68.7	Low	167 Å²	167	125.3 Å²	125.3	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-69.8	-26.8	176.6	-155.8	173.2	-163.8	177.4	5.2	112.8	I224 A226 R232	I224-R228 VanDerWaalsContact O-CB 3.22Å; I224-R228 WeakPolarHBondContact O-CB 3.34Å; I224-R228 PolarHBondContact O-N 3.43Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 2.92Å; R228-R232 PolarHBondContact O-N 3.35Å
229	R	81.4	Confident	68.2	Low	185 Å²	185	127.5 Å²	127.5	70%	0.698	61%	0.609	S	S	*	*	H	α-helix	trans	-73.3	-46.8	170.6	-135.5	-178.7	-58.8	-171.9	4.2	111	H225 A226 A227 R231 R232 A233	H225-R229 WeakPolarHBondContact O-CB 3.34Å; H225-R229 PolarHBondContact O-N 3.03Å; A226-R229 WeakPolarHBondContact O-CA 3.39Å; A226-R229 WeakPolarHBondContact O-CB 3.37Å; A226-R229 PolarHBondContact O-N 2.96Å; A227-R229 VanDerWaalsContact C-N 3.32Å; A227-R229 PolarHBondContact O-N 3.11Å; R229-R231 PolarHBondContact O-N 3.47Å; R229-R232 WeakPolarHBondContact O-CA 3.43Å; R229-R232 WeakPolarHBondContact O-CB 3.44Å; R229-R232 PolarHBondContact O-N 3.39Å; R229-A233 PolarHBondContact O-N 3.45Å
230	Q	73.5	Confident	67.1	Low	146 Å²	146	132 Å²	132	68%	0.682	62%	0.621	S	S	*	*	H	α-helix	trans	-61.2	-43.2	177.6	-164.1	176.7	11.8	0	0	111.7	A226 A227 R232 A233 A234	A226-Q230 PolarHBondContact O-N 2.88Å; A227-Q230 PolarHBondContact O-N 3.03Å; Q230-R232 PolarHBondContact O-N 3.11Å; Q230-A233 PolarHBondContact O-N 3.07Å; Q230-A234 WeakPolarHBondContact O-CB 3.28Å; Q230-A234 PolarHBondContact O-N 3.01Å
231	R	68.9	Low	65.9	Low	182 Å²	182	129.7 Å²	129.7	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-69.4	-3.1	171.9	-66.7	-179.1	-162.1	-177.3	6.6	114.8	A227 R229 R235	A227-R231 WeakPolarHBondContact O-CB 3.4Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.48Å; A227-R231 PolarHBondContact O-N 2.97Å; R229-R231 PolarHBondContact O-N 3.47Å; R231-R235 PolarHBondContact O-NE 3.02Å; R231-R235 PolarHBondContact O-NH2 3.47Å
232	R	68.9	Low	64.8	Low	177 Å²	177	130.7 Å²	130.7	67%	0.668	62%	0.622	S	S	*	*	H	α-helix	trans	-96.6	-50	166.4	-81	179.8	167.4	178.3	-4.5	110.1	R228 R229 Q230 A234 R235 T236	R228-R232 PolarHBondContact O-N 3.35Å; R229-R232 WeakPolarHBondContact O-CA 3.43Å; R229-R232 WeakPolarHBondContact O-CB 3.44Å; R229-R232 PolarHBondContact O-N 3.39Å; Q230-R232 PolarHBondContact O-N 3.11Å; R232-A234 VanDerWaalsContact C-N 3.27Å; R232-A234 PolarHBondContact O-N 3.47Å; R232-R235 PolarHBondContact O-N 2.84Å; R232-T236 PolarHBondContact O-N 2.87Å; R232-T236 VanDerWaalsContact O-N 3.17Å; R232-T236 PolarHBondContact O-OG1 3.06Å
233	A	67.6	Low	63.1	Low	53 Å²	53	131.2 Å²	131.2	44%	0.438	63%	0.629	S	S	.	*	H	α-helix	trans	-54.7	-40.5	175.8	0	0	0	0	0	113	R229 Q230 R235 T236 Q237	R229-A233 PolarHBondContact O-N 3.45Å; Q230-A233 PolarHBondContact O-N 3.07Å; A233-R235 VanDerWaalsContact C-N 3.25Å; A233-R235 PolarHBondContact O-N 3.28Å; A233-T236 WeakPolarHBondContact CA-OG1 3.35Å; A233-T236 PolarHBondContact O-N 3.24Å; A233-T236 PolarHBondContact O-OG1 2.92Å; A233-Q237 VanDerWaalsContact O-CG 3.26Å; A233-Q237 WeakPolarHBondContact O-CG 3.43Å
234	A	62.2	Low	61	Low	63 Å²	63	129.8 Å²	129.8	52%	0.521	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.5	177.7	0	0	0	0	0	114.7	Q230 R232	Q230-A234 WeakPolarHBondContact O-CB 3.28Å; Q230-A234 PolarHBondContact O-N 3.01Å; R232-A234 VanDerWaalsContact C-N 3.27Å; R232-A234 PolarHBondContact O-N 3.47Å
235	R	68.8	Low	59.4	Low	173 Å²	173	136.5 Å²	136.5	65%	0.653	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-40.9	171.9	-86.1	-179.4	-78.5	-174.3	-7.2	111.5	R231 R232 A233 Q237 K238	R231-R235 PolarHBondContact O-NE 3.02Å; R231-R235 PolarHBondContact O-NH2 3.47Å; R232-R235 PolarHBondContact O-N 2.84Å; A233-R235 VanDerWaalsContact C-N 3.25Å; A233-R235 PolarHBondContact O-N 3.28Å; R235-Q237 PolarHBondContact O-N 2.74Å; R235-K238 PolarHBondContact O-N 3.17Å
236	T	58.3	Low	57.3	Low	105 Å²	105	137.2 Å²	137.2	64%	0.644	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	22.2	173	54.7	0	0	0	0	114.2	R232 A233	R232-T236 PolarHBondContact O-N 2.87Å; R232-T236 VanDerWaalsContact O-N 3.17Å; R232-T236 PolarHBondContact O-OG1 3.06Å; A233-T236 WeakPolarHBondContact CA-OG1 3.35Å; A233-T236 PolarHBondContact O-N 3.24Å; A233-T236 PolarHBondContact O-OG1 2.92Å
237	Q	53.8	Low	55.1	Low	162 Å²	162	138.8 Å²	138.8	76%	0.757	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	9	-178	-71.1	-69	-87.3	0	0	112.6	A233 R235	A233-Q237 VanDerWaalsContact O-CG 3.26Å; A233-Q237 WeakPolarHBondContact O-CG 3.43Å; R235-Q237 PolarHBondContact O-N 2.74Å
238	K	54.4	Low	53.4	Low	182 Å²	182	148.7 Å²	148.7	79%	0.791	72%	0.724	S	S	*	*			trans	-141.7	59.5	178.5	-77.1	-159.9	169.8	-165.7	0	112.6	R235	R235-K238 PolarHBondContact O-N 3.17Å
239	E	45.4	Very low	51.4	Low	184 Å²	184	146.6 Å²	146.6	86%	0.86	74%	0.735	S	S	*	*			trans	-124.6	54.9	168.6	-72.6	-178.9	160.2	0	0	110.7
240	F	44.9	Very low	49	Very low	170 Å²	170	144 Å²	144	75%	0.746	75%	0.745	S	S	*	*			trans	-158.1	129.8	154.9	-156.5	-119.8	0	0	0	111	P242	F240-P242 HydrophobicContact CD1-CB 4.34Å; F240-P242 HydrophobicContact CD1-CG 3.89Å; F240-P242 HydrophobicContact CE1-CB 3.68Å; F240-P242 HydrophobicContact CE1-CG 3.67Å; F240-P242 HydrophobicContact CZ-CB 4.3Å
241	I	44.5	Very low	47	Very low	151 Å²	151	141.9 Å²	141.9	77%	0.774	75%	0.753	S	S	*	*			trans	-129.6	111.5	160	-61.9	179.5	0	0	0	105	L243	I241-L243 PolarHBondContact O-N 3.16Å
242	P	44	Very low	45.3	Very low	93 Å²	93	136.7 Å²	136.7	60%	0.604	76%	0.756	S	S	*	*			trans	-71.1	125.6	179.1	3.5	5.9	0	0	0	110.4	F240 G244	F240-P242 HydrophobicContact CD1-CB 4.34Å; F240-P242 HydrophobicContact CD1-CG 3.89Å; F240-P242 HydrophobicContact CE1-CB 3.68Å; F240-P242 HydrophobicContact CE1-CG 3.67Å; F240-P242 HydrophobicContact CZ-CB 4.3Å; P242-G244 PolarHBondContact O-N 3.25Å
243	L	40.5	Very low	43.8	Very low	174 Å²	174	139.6 Å²	139.6	91%	0.911	77%	0.767	S	S	*	*			trans	-79.8	95.9	164.9	-66.4	179.3	0	0	0	108.6	I241 R245	I241-L243 PolarHBondContact O-N 3.16Å; L243-R245 PolarHBondContact O-N 3.05Å
244	G	31.2	Very low	42.1	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	78%	0.779	S	S	*	*			trans	-77.7	115.1	174.1	0	0	0	0	0	111.2	P242	P242-G244 PolarHBondContact O-N 3.25Å
245	R	33.9	Very low	41.3	Very low	215 Å²	215	144.8 Å²	144.8	81%	0.811	79%	0.789	S	S	*	*			trans	-117.3	130.7	167.4	-179.2	172.3	178.8	-176.9	-1.2	110.2	L243	L243-R245 PolarHBondContact O-N 3.05Å
246	D	33.5	Very low	39.5	Very low	132 Å²	132	142.9 Å²	142.9	71%	0.706	79%	0.792	S	S	*	*			trans	47.2	118.8	162.5	-54.4	-23.6	0	0	0	119.4
247	G	34.1	Very low	38	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	79%	0.789	S	S	*	*			trans	177.6	80.1	174.9	0	0	0	0	0	114.4
248	R	35.7	Very low	36.9	Very low	243 Å²	243	145.4 Å²	145.4	92%	0.917	79%	0.789	S	S	*	*			trans	-86.2	141.9	173.4	-66	177.4	176	-127.5	1.9	111
249	S	33.7	Very low	35.7	Very low	123 Å²	123	141.9 Å²	141.9	86%	0.86	79%	0.787	S	S	*	*				161.9	151.3	118.1	-75.3	0	0	0	0	113.2
250	S	31	Very low	34.9	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	79%	0.785	S	S	*	*			trans	-121.3	99	166	-176.1	0	0	0	0	110.3
251	A	31.5	Very low	34	Very low	102 Å²	102	140 Å²	140	84%	0.843	78%	0.775	S	S	*	*			trans	-158.8	123.1	158	0	0	0	0	0	104.9
252	G	32.8	Very low	33.4	Very low	73 Å²	73	139.4 Å²	139.4	75%	0.753	77%	0.773	S	S	*	*			trans	-147.4	160.5	-162.5	0	0	0	0	0	116
253	R	37.7	Very low	32.8	Very low	238 Å²	238	142.7 Å²	142.7	90%	0.898	78%	0.781	S	S	*	*			trans	70.6	143	-179.8	-70.9	-173.3	170.4	-144	-5.8	113.6
254	T	31.5	Very low	32.5	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	77%	0.772	S	S	*	*			cis	-168	178	14.7	13.9	0	0	0	0	107.8
255	P	45.8	Very low	32.7	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	76%	0.76	S	S	*	*			cis	-144.6	177.2	-48	41.5	-22.9	0	0	0	116.3
256	D	30.7	Very low	32.7	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	76%	0.756	S	S	*	*			trans	91	142.9	134.9	-126.4	4.6	0	0	0	126
257	H	28.5	Very low	32.7	Very low	126 Å²	126	141.8 Å²	141.8	58%	0.583	76%	0.757	S	S	*	*			trans	38.1	117.3	156.4	-81.8	-41.1	0	0	0	126.8
258	Y	29.1	Very low	32.8	Very low	193 Å²	193	146.2 Å²	146.2	76%	0.757	76%	0.756	S	S	*	*			trans	75.9	121.2	130.1	-73.5	-45.9	0	0	0	123.6
259	S	29.1	Very low	32.8	Very low	109 Å²	109	142 Å²	142	76%	0.762	75%	0.752	S	S	*	*			trans	74.2	122	138.3	-55.3	0	0	0	0	120.3
260	R	29.2	Very low	32.9	Very low	213 Å²	213	143.9 Å²	143.9	80%	0.804	75%	0.752	S	S	*	*				150.9	143.7	99.7	-169.2	166.5	178	-146.1	-21.8	113.2
261	D	26.6	Very low	33.3	Very low	101 Å²	101	145 Å²	145	54%	0.54	75%	0.748	S	S	.	*			trans	26.3	130.2	160.7	-49.3	1.3	0	0	0	121.6
262	D	31.3	Very low	33.7	Very low	138 Å²	138	147.6 Å²	147.6	74%	0.738	75%	0.748	S	S	*	*				23.2	129.9	121.9	-40.7	-33.1	0	0	0	119.4
263	E	32.4	Very low	34	Very low	163 Å²	163	152.1 Å²	152.1	76%	0.762	76%	0.755	S	S	*	*				-178	158.3	94.2	-92.1	-63.5	-166.2	0	0	114.9
264	E	33.4	Very low	34.3	Very low	157 Å²	157	149.3 Å²	149.3	73%	0.734	75%	0.751	S	S	*	*			trans	41.9	141.8	154.4	-68.6	-175.1	146.4	0	0	124.7
265	D	35.3	Very low	35.1	Very low	110 Å²	110	149.3 Å²	149.3	59%	0.588	75%	0.754	S	S	*	*			trans	72.9	138.9	145.4	-83.1	-15	0	0	0	120.9
266	R	33.7	Very low	35.1	Very low	197 Å²	197	149.7 Å²	149.7	74%	0.743	75%	0.75	S	S	*	*			cis	-161.9	150.9	4.9	-143.9	172	-99.5	-167.7	-3.6	111.3
267	V	33.7	Very low	36.1	Very low	120 Å²	120	147.9 Å²	147.9	73%	0.727	74%	0.74	S	S	*	*			trans	29.2	148.4	159	-64.5	0	0	0	0	121.2
268	E	36.3	Very low	36.9	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	75%	0.746	S	S	*	*			cis	-153.5	166.1	25.2	-144	146.3	-130.2	0	0	110.9
269	N	35.6	Very low	38	Very low	155 Å²	155	148.4 Å²	148.4	83%	0.829	75%	0.749	S	S	*	*			trans	-85	152.9	180	-56	-30.8	0	0	0	112.3
270	D	35.4	Very low	38.9	Very low	163 Å²	163	152.6 Å²	152.6	87%	0.872	75%	0.748	S	S	*	*				-150.9	152.7	124.2	-137.4	-14.2	0	0	0	110
271	D	39.9	Very low	39.9	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	75%	0.751	S	S	*	*			trans	-94.5	130.8	-173	-68.2	-61.1	0	0	0	112.4
272	D	39.3	Very low	40.9	Very low	158 Å²	158	155.2 Å²	155.2	85%	0.845	76%	0.76	S	S	*	*			trans	-157.2	61.7	162.4	-144.3	3.5	0	0	0	113.5	E274	D272-E274 PolarHBondContact O-N 2.89Å
273	D	40.6	Very low	41.7	Very low	168 Å²	168	154.3 Å²	154.3	90%	0.898	75%	0.751	S	S	*	*			trans	-89.4	64.9	-176.4	-129.3	-16.2	0	0	0	112	P275	D273-P275 WeakPolarHBondContact O-CD 3.27Å
274	E	44.1	Very low	42.3	Very low	178 Å²	178	156 Å²	156	83%	0.832	76%	0.756	S	S	*	*			trans	-102.7	102.4	171.5	-172.4	166.3	-126.9	0	0	111.8	D272	D272-E274 PolarHBondContact O-N 2.89Å
275	P	47.1	Very low	43.5	Very low	116 Å²	116	151.7 Å²	151.7	75%	0.753	75%	0.748	S	S	*	*			trans	-77.1	139.3	-178.4	28.4	-33.9	0	0	0	114.2	D273	D273-P275 WeakPolarHBondContact O-CD 3.27Å
276	D	45.2	Very low	44.2	Very low	117 Å²	117	152.4 Å²	152.4	63%	0.626	76%	0.758	S	S	*	*			trans	-46.4	145.4	-173.1	-166.9	-28.3	0	0	0	116.8	H278	D276-H278 VanDerWaalsContact C-N 3.27Å; D276-H278 VanDerWaalsContact CG-CE1 3.44Å; D276-H278 PolarHBondContact O-N 3.2Å; D276-H278 IonicContact OD1-CE1 2.69Å; D276-H278 IonicContact OD1-CG 2.91Å; D276-H278 IonicContact OD1-ND1 3.73Å; D276-H278 PolarHBondContact OD1-ND1 3.12Å; D276-H278 IonicContact OD2-CE1 3.01Å; D276-H278 PolarHBondContact OD2-CE1 3.47Å; D276-H278 VanDerWaalsContact OD2-CE1 3.24Å; D276-H278 IonicContact OD2-ND1 3.85Å; D276-H278 PolarHBondContact OD2-ND1 2.94Å
277	D	52.4	Low	44.9	Very low	96 Å²	96	152.8 Å²	152.8	51%	0.513	76%	0.76	S	S	.	*	G	3₁₀ helix	trans	-72.3	-8.2	-168.9	-161.9	29.7	0	0	0	114.7	E279 R280	D277-E279 VanDerWaalsContact C-N 3.32Å; D277-E279 PolarHBondContact O-N 3.49Å; D277-R280 PolarHBondContact O-N 3.45Å; D277-R280 WeakPolarHBondContact OD1-CD 3.48Å; D277-R280 IonicContact OD1-CZ 2.96Å; D277-R280 IonicContact OD1-NE 3.1Å; D277-R280 PolarHBondContact OD1-NE 2.85Å; D277-R280 VanDerWaalsContact OD1-NE 3.1Å; D277-R280 IonicContact OD1-NH1 2.65Å; D277-R280 PolarHBondContact OD1-NH1 3.34Å; D277-R280 IonicContact OD1-NH2 2.86Å; D277-R280 IonicContact OD2-NH1 3.93Å
278	H	46.1	Very low	45.7	Very low	152 Å²	152	155.4 Å²	155.4	70%	0.704	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-77.3	-2.2	-168.9	64.7	-100	0	0	0	116.6	D276	D276-H278 VanDerWaalsContact C-N 3.27Å; D276-H278 VanDerWaalsContact CG-CE1 3.44Å; D276-H278 PolarHBondContact O-N 3.2Å; D276-H278 IonicContact OD1-CE1 2.69Å; D276-H278 IonicContact OD1-CG 2.91Å; D276-H278 IonicContact OD1-ND1 3.73Å; D276-H278 PolarHBondContact OD1-ND1 3.12Å; D276-H278 IonicContact OD2-CE1 3.01Å; D276-H278 PolarHBondContact OD2-CE1 3.47Å; D276-H278 VanDerWaalsContact OD2-CE1 3.24Å; D276-H278 IonicContact OD2-ND1 3.85Å; D276-H278 PolarHBondContact OD2-ND1 2.94Å
279	E	51.2	Low	46.9	Very low	179 Å²	179	151.9 Å²	151.9	84%	0.836	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-84.7	-4.7	168.8	-68.7	-144	140.6	0	0	114.1	D277 R281	D277-E279 VanDerWaalsContact C-N 3.32Å; D277-E279 PolarHBondContact O-N 3.49Å; E279-R281 VanDerWaalsContact C-N 3.32Å; E279-R281 PolarHBondContact O-N 3.4Å
280	R	48.4	Very low	48.3	Very low	196 Å²	196	147.6 Å²	147.6	74%	0.74	73%	0.73	S	S	*	*			trans	-72.9	76.4	-175.3	-66.9	-159.6	-177.4	142.3	-0.4	114.3	D277 I282	D277-R280 PolarHBondContact O-N 3.45Å; D277-R280 WeakPolarHBondContact OD1-CD 3.48Å; D277-R280 IonicContact OD1-CZ 2.96Å; D277-R280 IonicContact OD1-NE 3.1Å; D277-R280 PolarHBondContact OD1-NE 2.85Å; D277-R280 VanDerWaalsContact OD1-NE 3.1Å; D277-R280 IonicContact OD1-NH1 2.65Å; D277-R280 PolarHBondContact OD1-NH1 3.34Å; D277-R280 IonicContact OD1-NH2 2.86Å; D277-R280 IonicContact OD2-NH1 3.93Å; R280-I282 PolarHBondContact O-N 2.99Å; R280-I282 VanDerWaalsContact O-N 3.14Å
281	R	49.3	Very low	49.4	Very low	230 Å²	230	146 Å²	146	87%	0.868	72%	0.72	S	S	*	*			trans	-64.2	108.5	170	-169.6	-177.6	-152.7	135.2	10.5	111.2	E279 E283	E279-R281 VanDerWaalsContact C-N 3.32Å; E279-R281 PolarHBondContact O-N 3.4Å; R281-E283 PolarHBondContact O-N 2.88Å; R281-E283 VanDerWaalsContact O-N 3.09Å
282	I	48.6	Very low	50.3	Low	139 Å²	139	149 Å²	149	71%	0.713	72%	0.72	S	S	*	*			trans	-61.4	109.5	179.6	-54.2	175	0	0	0	110.8	R280 F284	R280-I282 PolarHBondContact O-N 2.99Å; R280-I282 VanDerWaalsContact O-N 3.14Å; I282-F284 HydrophobicContact CG2-CD2 4Å; I282-F284 HydrophobicContact CG2-CE2 4.11Å; I282-F284 PolarHBondContact O-N 3.32Å
283	E	47.8	Very low	51.7	Low	120 Å²	120	146.3 Å²	146.3	56%	0.561	70%	0.702	S	S	*	*			trans	-82.8	100.8	174.4	-68.8	-150.6	141.2	0	0	111.1	R281 A285 R287	R281-E283 PolarHBondContact O-N 2.88Å; R281-E283 VanDerWaalsContact O-N 3.09Å; E283-A285 PolarHBondContact O-N 3.45Å; E283-A285 VanDerWaalsContact O-N 3.09Å; E283-R287 IonicContact OE1-NH1 2.85Å
284	F	45.8	Very low	53	Low	198 Å²	198	144.8 Å²	144.8	87%	0.868	68%	0.684	S	S	*	*	S	Bend	trans	-68.3	-4.2	-177	-109.3	-93.8	0	0	0	116	I282	I282-F284 HydrophobicContact CG2-CD2 4Å; I282-F284 HydrophobicContact CG2-CE2 4.11Å; I282-F284 PolarHBondContact O-N 3.32Å
285	A	57	Low	53.8	Low	67 Å²	67	140.8 Å²	140.8	55%	0.554	67%	0.667	S	S	*	*	S	Bend	trans	-160.4	141.7	169.8	0	0	0	0	0	111.2	E283 R287	E283-A285 PolarHBondContact O-N 3.45Å; E283-A285 VanDerWaalsContact O-N 3.09Å; A285-R287 PolarHBondContact O-N 3.12Å
286	P	51.2	Low	54.7	Low	124 Å²	124	138.1 Å²	138.1	81%	0.805	66%	0.655	S	S	*	*			trans	-61.2	123.5	176.3	-23.4	33.9	0	0	0	112.5	M288	P286-M288 PolarHBondContact O-N 3.44Å
287	R	47.8	Very low	55.7	Low	206 Å²	206	138 Å²	138	78%	0.777	65%	0.651	S	S	*	*			trans	-65.4	122.6	175.6	-79.7	173.4	148.5	170.3	-7.8	111.3	E283 A285 K289	E283-R287 IonicContact OE1-NH1 2.85Å; A285-R287 PolarHBondContact O-N 3.12Å; R287-K289 PolarHBondContact O-N 3.47Å; R287-K289 VanDerWaalsContact O-N 3.1Å
288	M	51.6	Low	56.2	Low	175 Å²	175	142.1 Å²	142.1	86%	0.862	66%	0.664	S	S	*	*			trans	-67	108.9	174.1	-63.9	-174.1	78.8	0	0	110.4	P286 S290	P286-M288 PolarHBondContact O-N 3.44Å; M288-S290 PolarHBondContact O-N 3.35Å
289	K	61.3	Low	56.8	Low	101 Å²	101	141.8 Å²	141.8	44%	0.439	67%	0.667	S	S	.	*			trans	-46.2	130.2	177.7	-74.2	-173.1	173.2	-179.3	0	112.5	R287 E293 R294 E297	R287-K289 PolarHBondContact O-N 3.47Å; R287-K289 VanDerWaalsContact O-N 3.1Å; K289-E293 VanDerWaalsContact CA-OE2 3.28Å; K289-E293 WeakPolarHBondContact CA-OE2 3.48Å; K289-R294 PolarHBondContact O-NH2 3.03Å; K289-E297 WeakPolarHBondContact CD-OE2 3.4Å; K289-E297 IonicContact NZ-OE1 2.59Å; K289-E297 PolarHBondContact NZ-OE1 2.88Å; K289-E297 IonicContact NZ-OE2 2.77Å; K289-E297 PolarHBondContact NZ-OE2 2.9Å
290	S	65.1	Low	57	Low	65 Å²	65	136.9 Å²	136.9	46%	0.455	67%	0.665	S	S	.	*			trans	-59.5	150	-177.6	177.9	0	0	0	0	111.3	M288 R292 E293 R294	M288-S290 PolarHBondContact O-N 3.35Å; S290-R292 PolarHBondContact O-N 3.23Å; S290-E293 PolarHBondContact N-OE2 2.85Å; S290-E293 WeakPolarHBondContact O-CB 3.37Å; S290-E293 PolarHBondContact O-N 2.91Å; S290-E293 VanDerWaalsContact O-N 3.14Å; S290-R294 WeakPolarHBondContact O-CB 3.48Å; S290-R294 PolarHBondContact O-N 2.98Å
291	I	57.1	Low	56.6	Low	129 Å²	129	130.7 Å²	130.7	66%	0.662	66%	0.661	S	S	*	*	H	α-helix	trans	-58.8	-37.7	176.8	-72	170.8	0	0	0	110.8	E293 I295	I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 2.85Å; I291-I295 HydrophobicContact CG2-CD1 3.84Å; I291-I295 WeakPolarHBondContact O-CB 3.41Å; I291-I295 WeakPolarHBondContact O-CD1 3.28Å; I291-I295 WeakPolarHBondContact O-CG1 3.5Å; I291-I295 PolarHBondContact O-N 3.42Å; I291-I295 VanDerWaalsContact O-N 3.09Å
292	R	59.3	Low	56	Low	214 Å²	214	125.5 Å²	125.5	81%	0.808	66%	0.66	S	S	*	*	H	α-helix	trans	-67.1	-35.4	178	-171.7	175.2	-174.2	-97.8	-0.4	112.8	S290 A296	S290-R292 PolarHBondContact O-N 3.23Å; R292-A296 PolarHBondContact O-N 3.04Å; R292-A296 VanDerWaalsContact O-N 3.09Å
293	E	67.9	Low	55.6	Low	102 Å²	102	126.2 Å²	126.2	48%	0.477	67%	0.666	S	S	.	*	H	α-helix	trans	-74.6	-44.5	-178.7	-176	173.1	-115.5	0	0	110.7	K289 S290 I291 I295 A296 E297	K289-E293 VanDerWaalsContact CA-OE2 3.28Å; K289-E293 WeakPolarHBondContact CA-OE2 3.48Å; S290-E293 PolarHBondContact N-OE2 2.85Å; S290-E293 WeakPolarHBondContact O-CB 3.37Å; S290-E293 PolarHBondContact O-N 2.91Å; S290-E293 VanDerWaalsContact O-N 3.14Å; I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 2.85Å; E293-I295 VanDerWaalsContact C-N 3.25Å; E293-I295 PolarHBondContact O-N 3.24Å; E293-A296 WeakPolarHBondContact O-CB 3.42Å; E293-A296 PolarHBondContact O-N 2.86Å; E293-A296 VanDerWaalsContact O-N 3.12Å; E293-E297 PolarHBondContact O-N 3.13Å
294	R	67.9	Low	55	Low	137 Å²	137	123.8 Å²	123.8	52%	0.517	67%	0.673	S	S	.	*	H	α-helix	trans	-64.7	-25.8	172.7	-160.7	-174.9	-49.4	178.4	6.8	113.7	K289 S290 K298	K289-R294 PolarHBondContact O-NH2 3.03Å; S290-R294 WeakPolarHBondContact O-CB 3.48Å; S290-R294 PolarHBondContact O-N 2.98Å; R294-K298 WeakPolarHBondContact O-CB 3.35Å
295	I	62.3	Low	54.6	Low	93 Å²	93	119.2 Å²	119.2	48%	0.477	67%	0.666	S	S	.	*	H	α-helix	trans	-76.7	-41.3	171.7	-72.6	165.7	0	0	0	110.3	I291 E293 K298 L299	I291-I295 HydrophobicContact CG2-CD1 3.84Å; I291-I295 WeakPolarHBondContact O-CB 3.41Å; I291-I295 WeakPolarHBondContact O-CD1 3.28Å; I291-I295 WeakPolarHBondContact O-CG1 3.5Å; I291-I295 PolarHBondContact O-N 3.42Å; I291-I295 VanDerWaalsContact O-N 3.09Å; E293-I295 VanDerWaalsContact C-N 3.25Å; E293-I295 PolarHBondContact O-N 3.24Å; I295-K298 PolarHBondContact O-N 3.23Å; I295-L299 HydrophobicContact CG2-CD1 3.81Å; I295-L299 WeakPolarHBondContact O-CG 3.36Å; I295-L299 PolarHBondContact O-N 3.27Å
296	A	66.3	Low	53.7	Low	61 Å²	61	124.1 Å²	124.1	50%	0.504	68%	0.682	S	S	.	*	H	α-helix	trans	-62.7	-48.5	176.3	0	0	0	0	0	112.2	R292 E293 K298 L299 G300	R292-A296 PolarHBondContact O-N 3.04Å; R292-A296 VanDerWaalsContact O-N 3.09Å; E293-A296 WeakPolarHBondContact O-CB 3.42Å; E293-A296 PolarHBondContact O-N 2.86Å; E293-A296 VanDerWaalsContact O-N 3.12Å; A296-K298 PolarHBondContact O-N 3.18Å; A296-L299 PolarHBondContact O-N 2.9Å; A296-L299 VanDerWaalsContact O-N 3.13Å; A296-G300 PolarHBondContact O-N 3.41Å
297	E	65.6	Low	53.1	Low	113 Å²	113	124.4 Å²	124.4	53%	0.528	69%	0.686	S	S	.	*	H	α-helix	trans	-59.2	-28.1	176	-70.8	-172.4	128	0	0	113.3	K289 E293	K289-E297 WeakPolarHBondContact CD-OE2 3.4Å; K289-E297 IonicContact NZ-OE1 2.59Å; K289-E297 PolarHBondContact NZ-OE1 2.88Å; K289-E297 IonicContact NZ-OE2 2.77Å; K289-E297 PolarHBondContact NZ-OE2 2.9Å; E293-E297 PolarHBondContact O-N 3.13Å
298	K	63.3	Low	53.3	Low	184 Å²	184	118.2 Å²	118.2	80%	0.8	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-4.2	-178.4	-159.6	170.6	-179.2	-175.7	0	113.9	R294 I295 A296	R294-K298 WeakPolarHBondContact O-CB 3.35Å; I295-K298 PolarHBondContact O-N 3.23Å; A296-K298 PolarHBondContact O-N 3.18Å
299	L	58.3	Low	53.3	Low	145 Å²	145	115.3 Å²	115.3	76%	0.759	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-27	177.6	-69.1	171.7	0	0	0	113.1	I295 A296 G301	I295-L299 HydrophobicContact CG2-CD1 3.81Å; I295-L299 WeakPolarHBondContact O-CG 3.36Å; I295-L299 PolarHBondContact O-N 3.27Å; A296-L299 PolarHBondContact O-N 2.9Å; A296-L299 VanDerWaalsContact O-N 3.13Å; L299-G301 VanDerWaalsContact C-N 3.33Å; L299-G301 PolarHBondContact O-N 2.77Å
300	G	54.2	Low	53.1	Low	76 Å²	76	116.4 Å²	116.4	78%	0.784	69%	0.694	S	S	*	*	S	Bend	trans	-91.1	45.9	179.2	0	0	0	0	0	114.1	A296	A296-G300 PolarHBondContact O-N 3.41Å
301	G	40.5	Very low	52.7	Low	65 Å²	65	121.6 Å²	121.6	67%	0.67	71%	0.711	S	S	*	*			trans	-128.6	15.2	-155.8	0	0	0	0	0	119.2	L299	L299-G301 VanDerWaalsContact C-N 3.33Å; L299-G301 PolarHBondContact O-N 2.77Å
302	S	37.8	Very low	52.8	Low	121 Å²	121	123 Å²	123	85%	0.846	72%	0.715	S	S	*	*			trans	-167.8	138.3	157.6	-163.3	0	0	0	0	111.3
303	D	39.8	Very low	52.8	Low	155 Å²	155	119.7 Å²	119.7	83%	0.829	71%	0.708	S	S	*	*			trans	-78.3	157.2	156.4	-171.6	7.8	0	0	0	109.2
304	G	35.9	Very low	52.5	Low	69 Å²	69	119.2 Å²	119.2	71%	0.711	71%	0.706	S	S	*	*			trans	147.1	49.2	-178.6	0	0	0	0	0	118.2
305	S	36.5	Very low	52.3	Low	102 Å²	102	118.5 Å²	118.5	71%	0.713	71%	0.709	S	S	*	*			trans	26.1	112.5	157.7	-66.7	0	0	0	0	121.9
306	L	38.4	Very low	52.7	Low	170 Å²	170	119.3 Å²	119.3	89%	0.89	71%	0.713	S	S	*	*			trans	62.9	103	134.9	-55.5	175.2	0	0	0	120.6
307	S	38	Very low	53	Low	130 Å²	130	123.4 Å²	123.4	91%	0.909	72%	0.716	S	S	*	*				-169.1	145.6	109.8	-165.6	0	0	0	0	110.1
308	G	52.8	Low	53.3	Low	75 Å²	75	122.4 Å²	122.4	77%	0.773	71%	0.711	S	S	*	*			trans	-100.8	137.1	-167	0	0	0	0	0	115.8
309	S	51.2	Low	53.5	Low	114 Å²	114	119 Å²	119	80%	0.797	70%	0.699	S	S	*	*			trans	-155.1	22.1	157.7	73.9	0	0	0	0	113.7
310	D	57	Low	53.9	Low	124 Å²	124	115.5 Å²	115.5	66%	0.663	68%	0.683	S	S	*	*			trans	-99.9	-9.6	-165.1	-144.9	12.9	0	0	0	113.7	E313 Q314	D310-E313 PolarHBondContact O-N 3.31Å; D310-Q314 PolarHBondContact O-N 2.83Å; D310-Q314 VanDerWaalsContact O-N 3.12Å
311	E	57.3	Low	54.2	Low	175 Å²	175	115.7 Å²	115.7	82%	0.818	66%	0.663	S	S	*	*	H	α-helix	trans	-71	-33.4	-174.9	-156	162.5	-144.7	0	0	112.1	E315	E311-E315 WeakPolarHBondContact O-CB 3.36Å; E311-E315 PolarHBondContact O-N 3.49Å
312	E	59.3	Low	55.3	Low	159 Å²	159	117.7 Å²	117.7	74%	0.743	66%	0.658	S	S	*	*	H	α-helix	trans	-72.3	-35.5	175.4	-64.8	-171.4	171.1	0	0	113	E315 L316	E312-E315 PolarHBondContact O-N 3.28Å; E312-L316 WeakPolarHBondContact O-CB 3.47Å; E312-L316 WeakPolarHBondContact O-CG 3.38Å; E312-L316 PolarHBondContact O-N 2.85Å
313	E	59.4	Low	56.3	Low	143 Å²	143	114.1 Å²	114.1	67%	0.668	64%	0.64	S	S	*	*	H	α-helix	trans	-74.3	-36.6	177.5	-171	161.5	178.2	0	0	111.1	D310 L316 W317	D310-E313 PolarHBondContact O-N 3.31Å; E313-L316 PolarHBondContact O-N 2.83Å; E313-W317 WeakPolarHBondContact O-CB 3.47Å; E313-W317 PolarHBondContact O-N 3.19Å
314	Q	59.8	Low	57.3	Low	93 Å²	93	113.3 Å²	113.3	44%	0.435	63%	0.629	S	S	.	*	H	α-helix	trans	-60.8	-45.9	168.5	-178.9	64.4	18.9	0	0	111.7	D310 L316 W317 E318	D310-Q314 PolarHBondContact O-N 2.83Å; D310-Q314 VanDerWaalsContact O-N 3.12Å; Q314-L316 PolarHBondContact O-N 3.49Å; Q314-W317 WeakPolarHBondContact O-CB 3.49Å; Q314-W317 PolarHBondContact O-N 3.47Å; Q314-E318 PolarHBondContact NE2-OE1 2.96Å; Q314-E318 WeakPolarHBondContact O-CG 3.36Å; Q314-E318 PolarHBondContact O-N 3.35Å
315	E	65.8	Low	58.1	Low	121 Å²	121	112.8 Å²	112.8	57%	0.565	62%	0.623	S	S	*	*	H	α-helix	trans	-66	-39.2	179	-158.9	-172.5	-140	0	0	111.9	E311 E312 W317 E318 Q319	E311-E315 WeakPolarHBondContact O-CB 3.36Å; E311-E315 PolarHBondContact O-N 3.49Å; E312-E315 PolarHBondContact O-N 3.28Å; E315-W317 VanDerWaalsContact C-N 3.33Å; E315-W317 PolarHBondContact O-N 3.1Å; E315-E318 PolarHBondContact O-N 2.89Å; E315-Q319 HydrophobicContact CG-CG 4.48Å; E315-Q319 WeakPolarHBondContact O-CB 3.39Å; E315-Q319 VanDerWaalsContact O-CG 3.28Å; E315-Q319 WeakPolarHBondContact O-CG 3.31Å; E315-Q319 PolarHBondContact O-N 2.95Å; E315-Q319 PolarHBondContact OE2-NE2 2.59Å
316	L	70.6	Confident	58.7	Low	110 Å²	110	113.5 Å²	113.5	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-61.4	-38.9	171.9	-81.1	166.1	0	0	0	112.5	E312 E313 Q314 T320	E312-L316 WeakPolarHBondContact O-CB 3.47Å; E312-L316 WeakPolarHBondContact O-CG 3.38Å; E312-L316 PolarHBondContact O-N 2.85Å; E313-L316 PolarHBondContact O-N 2.83Å; Q314-L316 PolarHBondContact O-N 3.49Å; L316-T320 VanDerWaalsContact O-CB 3.27Å; L316-T320 WeakPolarHBondContact O-CB 3.37Å; L316-T320 PolarHBondContact O-N 2.77Å; L316-T320 PolarHBondContact O-OG1 3.49Å
317	W	71.5	Confident	59.2	Low	147 Å²	147	114.2 Å²	114.2	56%	0.557	62%	0.619	S	S	*	*	H	α-helix	trans	-66.3	-46.2	175.3	-173	94.1	0	0	0	111.4	E313 Q314 E315 T320 Q321	E313-W317 WeakPolarHBondContact O-CB 3.47Å; E313-W317 PolarHBondContact O-N 3.19Å; Q314-W317 WeakPolarHBondContact O-CB 3.49Å; Q314-W317 PolarHBondContact O-N 3.47Å; E315-W317 VanDerWaalsContact C-N 3.33Å; E315-W317 PolarHBondContact O-N 3.1Å; W317-T320 CarbonylContact O-C 3.57Å; W317-T320 WeakPolarHBondContact O-CA 3.44Å; W317-T320 WeakPolarHBondContact O-CB 3.37Å; W317-T320 PolarHBondContact O-N 3.09Å; W317-T320 VanDerWaalsContact O-N 3.16Å; W317-Q321 HydrophobicContact CD2-CG 4.19Å; W317-Q321 HydrophobicContact CE3-CG 4.06Å; W317-Q321 HydrophobicContact CH2-CG 4.07Å; W317-Q321 HydrophobicContact CZ2-CG 4.19Å; W317-Q321 HydrophobicContact CZ3-CG 4Å; W317-Q321 WeakPolarHBondContact O-CG 3.43Å; W317-Q321 PolarHBondContact O-N 2.95Å
318	E	71.8	Confident	59.4	Low	93 Å²	93	119.6 Å²	119.6	44%	0.435	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-45.6	178.6	-72.7	-168.6	-167.3	0	0	112.5	Q314 E315 T320 Q321 I322	Q314-E318 PolarHBondContact NE2-OE1 2.96Å; Q314-E318 WeakPolarHBondContact O-CG 3.36Å; Q314-E318 PolarHBondContact O-N 3.35Å; E315-E318 PolarHBondContact O-N 2.89Å; E318-T320 PolarHBondContact O-N 3.32Å; E318-Q321 PolarHBondContact O-N 2.97Å; E318-I322 WeakPolarHBondContact O-CG1 3.34Å; E318-I322 PolarHBondContact O-N 2.94Å
319	Q	68.5	Low	58.8	Low	113 Å²	113	127.5 Å²	127.5	53%	0.528	63%	0.626	S	S	.	*	H	α-helix	trans	-57	-36.4	171.7	-71.7	-176.7	36.7	0	0	111.3	E315 G323	E315-Q319 HydrophobicContact CG-CG 4.48Å; E315-Q319 WeakPolarHBondContact O-CB 3.39Å; E315-Q319 VanDerWaalsContact O-CG 3.28Å; E315-Q319 WeakPolarHBondContact O-CG 3.31Å; E315-Q319 PolarHBondContact O-N 2.95Å; E315-Q319 PolarHBondContact OE2-NE2 2.59Å; Q319-G323 PolarHBondContact O-N 3.12Å
320	T	66.5	Low	58.6	Low	71 Å²	71	128.7 Å²	128.7	44%	0.436	63%	0.631	S	S	.	*	H	α-helix	trans	-69.3	-32.4	175.6	-63.6	0	0	0	0	113.2	L316 W317 E318 K324	L316-T320 VanDerWaalsContact O-CB 3.27Å; L316-T320 WeakPolarHBondContact O-CB 3.37Å; L316-T320 PolarHBondContact O-N 2.77Å; L316-T320 PolarHBondContact O-OG1 3.49Å; W317-T320 CarbonylContact O-C 3.57Å; W317-T320 WeakPolarHBondContact O-CA 3.44Å; W317-T320 WeakPolarHBondContact O-CB 3.37Å; W317-T320 PolarHBondContact O-N 3.09Å; W317-T320 VanDerWaalsContact O-N 3.16Å; E318-T320 PolarHBondContact O-N 3.32Å; T320-K324 WeakPolarHBondContact O-CD 3.45Å; T320-K324 VanDerWaalsContact O-CG 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.35Å; T320-K324 PolarHBondContact O-N 2.92Å
321	Q	60.8	Low	57.5	Low	79 Å²	79	126 Å²	126	37%	0.369	63%	0.632	S	S	.	*	H	α-helix	trans	-76.9	-43.1	173.3	-59.3	-56.2	-13.1	0	0	112.1	W317 E318 G323 K324 G325	W317-Q321 HydrophobicContact CD2-CG 4.19Å; W317-Q321 HydrophobicContact CE3-CG 4.06Å; W317-Q321 HydrophobicContact CH2-CG 4.07Å; W317-Q321 HydrophobicContact CZ2-CG 4.19Å; W317-Q321 HydrophobicContact CZ3-CG 4Å; W317-Q321 WeakPolarHBondContact O-CG 3.43Å; W317-Q321 PolarHBondContact O-N 2.95Å; E318-Q321 PolarHBondContact O-N 2.97Å; Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.09Å; Q321-K324 WeakPolarHBondContact O-CB 3.29Å; Q321-K324 PolarHBondContact O-N 3.12Å; Q321-G325 PolarHBondContact O-N 3.07Å
322	I	62	Low	56.5	Low	108 Å²	108	125.5 Å²	125.5	55%	0.554	63%	0.63	S	S	*	*	H	α-helix	trans	-60.6	-42.7	175.7	-65.3	166.4	0	0	0	109.9	E318 K324 G325 V326	E318-I322 WeakPolarHBondContact O-CG1 3.34Å; E318-I322 PolarHBondContact O-N 2.94Å; I322-K324 PolarHBondContact O-N 2.98Å; I322-G325 PolarHBondContact O-N 3.4Å; I322-V326 HydrophobicContact CG2-CG2 4.13Å; I322-V326 WeakPolarHBondContact O-CG2 3.36Å; I322-V326 PolarHBondContact O-N 3.36Å
323	G	59.7	Low	55.4	Low	45 Å²	45	125.8 Å²	125.8	46%	0.464	63%	0.631	S	S	.	*	H	α-helix	trans	-61.7	-24.4	174.3	0	0	0	0	0	114.9	Q319 Q321	Q319-G323 PolarHBondContact O-N 3.12Å; Q321-G323 VanDerWaalsContact C-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.09Å
324	K	61.3	Low	54.9	Low	139 Å²	139	124.7 Å²	124.7	60%	0.604	64%	0.639	S	S	*	*	H	α-helix	trans	-84.4	-32.1	171.6	-70.8	165.8	-171.8	167.7	0	112.3	T320 Q321 I322	T320-K324 WeakPolarHBondContact O-CD 3.45Å; T320-K324 VanDerWaalsContact O-CG 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.35Å; T320-K324 PolarHBondContact O-N 2.92Å; Q321-K324 WeakPolarHBondContact O-CB 3.29Å; Q321-K324 PolarHBondContact O-N 3.12Å; I322-K324 PolarHBondContact O-N 2.98Å
325	G	52.5	Low	54.4	Low	57 Å²	57	125.8 Å²	125.8	59%	0.588	65%	0.654	S	S	*	*	H	α-helix	trans	-70.2	-40.8	175.4	0	0	0	0	0	113.9	Q321 I322 K327	Q321-G325 PolarHBondContact O-N 3.07Å; I322-G325 PolarHBondContact O-N 3.4Å; G325-K327 VanDerWaalsContact C-N 3.29Å; G325-K327 PolarHBondContact O-N 3.14Å; G325-K327 VanDerWaalsContact O-N 3.1Å
326	V	49.3	Very low	53.2	Low	117 Å²	117	125.7 Å²	125.7	71%	0.709	67%	0.667	S	S	*	*	S	Bend	trans	-90.8	43.1	-168.7	-169.1	0	0	0	0	112.9	I322	I322-V326 HydrophobicContact CG2-CG2 4.13Å; I322-V326 WeakPolarHBondContact O-CG2 3.36Å; I322-V326 PolarHBondContact O-N 3.36Å
327	K	48.9	Very low	51.4	Low	185 Å²	185	123.4 Å²	123.4	80%	0.804	67%	0.67	S	S	*	*			trans	-129.6	44.8	169.9	-78.4	-170.3	178.9	172.1	0	114.6	G325	G325-K327 VanDerWaalsContact C-N 3.29Å; G325-K327 PolarHBondContact O-N 3.14Å; G325-K327 VanDerWaalsContact O-N 3.1Å
328	R	41	Very low	50.2	Low	244 Å²	244	121.8 Å²	121.8	92%	0.921	68%	0.681	S	S	*	*			trans	-91	95.2	158.8	-71.8	-165.3	178.8	-137.8	0.4	111.5
329	R	40.4	Very low	48.6	Very low	241 Å²	241	125.8 Å²	125.8	91%	0.909	70%	0.7	S	S	*	*			trans	-109.9	132.3	147.2	-76.3	-168.8	175.6	-131.4	-1.3	107.8
330	P	47.2	Very low	47.2	Very low	139 Å²	139	125.7 Å²	125.7	90%	0.903	71%	0.711	S	S	*	*			trans	-77.7	126.1	-179.3	29.4	-31.1	0	0	0	110.4
331	G	33.8	Very low	45.9	Very low	66 Å²	66	127.2 Å²	127.2	68%	0.68	73%	0.725	S	S	*	*			trans	176.9	111	178.3	0	0	0	0	0	113.9
332	E	36.4	Very low	44.5	Very low	166 Å²	166	128.2 Å²	128.2	78%	0.776	74%	0.741	S	S	*	*			trans	73.4	113	148.9	-55.4	-151.5	88.7	0	0	121.7
333	Q	35.9	Very low	42.9	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	75%	0.753	S	S	*	*			trans	79.7	120.1	132.6	-62.1	177.8	41.4	0	0	120.9
334	S	48.4	Very low	41.7	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	77%	0.765	S	S	*	*			trans	-124.8	145.4	152.4	-54.1	0	0	0	0	109.1
335	P	50.3	Low	40.3	Very low	117 Å²	117	134.2 Å²	134.2	76%	0.76	77%	0.773	S	S	*	*			trans	-114.5	124.2	149.2	32.4	-22	0	0	0	109.3
336	S	40.3	Very low	39.3	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	78%	0.781	S	S	*	*				79.8	135	82.2	-169.6	0	0	0	0	113
337	G	33.7	Very low	38.6	Very low	62 Å²	62	137 Å²	137	64%	0.639	79%	0.789	S	S	*	*			cis	162.1	168.9	-4.5	0	0	0	0	0	111.7
338	S	45.3	Very low	38	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	79%	0.792	S	S	*	*			cis	-113.6	-96.1	-8.7	-68.5	0	0	0	0	111.9
339	E	37.8	Very low	38.1	Very low	178 Å²	178	133.9 Å²	133.9	83%	0.832	79%	0.789	S	S	*	*			cis	-160.7	156.7	-6.7	-84.8	-178.8	91.8	0	0	105.7
340	S	40.1	Very low	37.8	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	78%	0.779	S	S	*	*			cis	-167.6	158.9	-24.2	-151.1	0	0	0	0	106
341	S	39.3	Very low	37.4	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	78%	0.78	S	S	*	*			cis	-129.8	-138.6	2.2	55.6	0	0	0	0	109.4
342	S	30.1	Very low	37.3	Very low	99 Å²	99	134 Å²	134	69%	0.692	78%	0.783	S	S	*	*			cis	-141.6	179.7	13.5	-51.3	0	0	0	0	112.2
343	Y	29.9	Very low	37.2	Very low	206 Å²	206	129.4 Å²	129.4	81%	0.808	78%	0.78	S	S	*	*			trans	-14.8	134.8	179.2	71.9	-100.5	0	0	0	123
344	S	33.5	Very low	37.4	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	79%	0.785	S	S	*	*				46.1	137.7	125.8	-52.9	0	0	0	0	121.8
345	S	33	Very low	37.1	Very low	109 Å²	109	135 Å²	135	76%	0.762	79%	0.789	S	S	*	*			cis	-160.2	158.4	4	-109.3	0	0	0	0	114.7
346	S	30.4	Very low	36.8	Very low	109 Å²	109	139 Å²	139	76%	0.762	80%	0.795	S	S	*	*			trans	-17.2	138.1	171.3	58.8	0	0	0	0	122
347	S	35.6	Very low	36.7	Very low	124 Å²	124	144.9 Å²	144.9	87%	0.867	80%	0.799	S	S	*	*				-157.4	151.7	123.3	32.1	0	0	0	0	111.6
348	R	36.4	Very low	37.2	Very low	230 Å²	230	150.1 Å²	150.1	87%	0.868	81%	0.811	S	S	*	*			trans	-95.1	168.9	178.1	-67.3	179.1	169.3	177.4	-3.5	110.5
349	P	43	Very low	36.9	Very low	133 Å²	133	151.1 Å²	151.1	86%	0.864	81%	0.813	S	S	*	*				-130.6	155.8	96.1	37.4	-31.1	0	0	0	115.6
350	D	33.2	Very low	37	Very low	133 Å²	133	146 Å²	146	71%	0.711	81%	0.807	S	S	*	*			trans	-67.5	149.4	174.1	164.2	50.3	0	0	0	113.5	G352	D350-G352 PolarHBondContact OD1-N 3.46Å
351	R	38.7	Very low	36.9	Very low	242 Å²	242	145.6 Å²	145.6	91%	0.913	81%	0.811	S	S	*	*			trans	-161.2	110.1	138.3	-112.6	174.3	-173.9	-164.2	0.9	111.6
352	G	32.9	Very low	37.1	Very low	72 Å²	72	150.2 Å²	150.2	74%	0.742	82%	0.818	S	S	*	*			trans	-68.9	155.4	173.5	0	0	0	0	0	114.5	D350	D350-G352 PolarHBondContact OD1-N 3.46Å
353	G	33.6	Very low	38.1	Very low	70 Å²	70	152.1 Å²	152.1	72%	0.722	82%	0.819	S	S	*	*			trans	-165.2	84.9	-177.1	0	0	0	0	0	115.8
354	H	39.7	Very low	38.8	Very low	188 Å²	188	147.8 Å²	147.8	87%	0.87	82%	0.816	S	S	*	*			trans	52	108.6	158.3	-63.4	-80.7	0	0	0	120.9	K356	H354-K356 PolarHBondContact O-N 3.48Å
355	K	42.2	Very low	39.7	Very low	213 Å²	213	152.1 Å²	152.1	93%	0.926	82%	0.822	S	S	*	*			trans	-49.5	133.4	156.8	-58.1	167.6	-178.1	172.4	0	111.3
356	K	44.2	Very low	40.4	Very low	202 Å²	202	153 Å²	153	88%	0.878	82%	0.823	S	S	*	*			trans	-124.8	118.5	152.4	-79.7	-169.8	174.9	-177.9	0	109.9	H354	H354-K356 PolarHBondContact O-N 3.48Å
357	R	39.1	Very low	41.9	Very low	242 Å²	242	155.6 Å²	155.6	91%	0.913	83%	0.827	S	S	*	*			trans	-67.3	133.5	165.7	-76.8	175.6	162	-176.1	-5.9	108.5
358	L	43.2	Very low	42.9	Very low	172 Å²	172	154.8 Å²	154.8	90%	0.901	82%	0.819	S	S	*	*			trans	-123.3	149.5	155.8	-87.5	167.8	0	0	0	109
359	T	39	Very low	43.7	Very low	134 Å²	134	152.2 Å²	152.2	82%	0.822	82%	0.822	S	S	*	*			trans	-108.3	149.3	-160.8	40.5	0	0	0	0	112.8
360	G	40.4	Very low	44.5	Very low	69 Å²	69	149.7 Å²	149.7	71%	0.711	80%	0.803	S	S	*	*			trans	73.6	59.8	153.4	0	0	0	0	0	117.1	K362	G360-K362 PolarHBondContact O-N 2.85Å
361	A	38.4	Very low	46.3	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	79%	0.785	S	S	*	*			trans	-63.8	95.7	164.8	0	0	0	0	0	110.9	I363	A361-I363 PolarHBondContact O-N 3.43Å
362	K	43.5	Very low	48.1	Very low	202 Å²	202	140.1 Å²	140.1	88%	0.878	78%	0.778	S	S	*	*			trans	-72.4	108.5	170.5	-74	-175.3	178	179.5	0	109.4	G360 P364	G360-K362 PolarHBondContact O-N 2.85Å; K362-P364 WeakPolarHBondContact O-CD 3.2Å
363	I	49.2	Very low	50.3	Low	139 Å²	139	140.1 Å²	140.1	71%	0.713	77%	0.767	S	S	*	*			trans	-60	123.1	175.3	-58.5	167.7	0	0	0	109.7	A361 K365	A361-I363 PolarHBondContact O-N 3.43Å; I363-K365 PolarHBondContact O-N 3.33Å
364	P	45.6	Very low	52.6	Low	114 Å²	114	139.4 Å²	139.4	74%	0.74	75%	0.749	S	S	*	*			trans	-67.7	101.2	168.8	-18.1	32.8	0	0	0	109.9	K362 T366	K362-P364 WeakPolarHBondContact O-CD 3.2Å; P364-T366 PolarHBondContact O-N 3Å
365	K	51.9	Low	54.7	Low	196 Å²	196	133.5 Å²	133.5	85%	0.852	73%	0.726	S	S	*	*	S	Bend	trans	-76.6	57.2	-179.3	-80.5	-169	172.2	-175.3	0	113.5	I363	I363-K365 PolarHBondContact O-N 3.33Å
366	T	48.8	Very low	56.8	Low	128 Å²	128	130.5 Å²	130.5	79%	0.785	71%	0.713	S	S	*	*			trans	-165.7	106.6	154.7	29.6	0	0	0	0	108.8	P364	P364-T366 PolarHBondContact O-N 3Å
367	L	60.6	Low	58.9	Low	162 Å²	162	128.6 Å²	128.6	85%	0.848	70%	0.704	S	S	*	*			trans	-73	135.1	156.5	-70.3	171.9	0	0	0	107.6	L369	L367-L369 PolarHBondContact O-N 2.78Å
368	P	56.7	Low	61.2	Low	107 Å²	107	125.1 Å²	125.1	70%	0.695	69%	0.691	S	S	*	*			trans	-61.9	136	173.5	26.8	-33.7	0	0	0	109.3	V370	P368-V370 WeakPolarHBondContact O-CG2 3.48Å; P368-V370 PolarHBondContact O-N 3.49Å
369	L	53.4	Low	63.4	Low	177 Å²	177	122.1 Å²	122.1	93%	0.927	68%	0.675	S	S	*	*			trans	-69	92.4	-172.5	-148	82.4	0	0	0	110.5	L367 S371	L367-L369 PolarHBondContact O-N 2.78Å; L369-S371 PolarHBondContact O-N 3.31Å
370	V	60.9	Low	65.9	Low	79 Å²	79	118.6 Å²	118.6	48%	0.479	65%	0.654	S	S	.	*			trans	-70.1	98.8	-179.3	-171.9	0	0	0	0	108.8	P368 T374 V375	P368-V370 WeakPolarHBondContact O-CG2 3.48Å; P368-V370 PolarHBondContact O-N 3.49Å; V370-T374 HydrophobicContact CG1-CG2 4.13Å; V370-V375 HydrophobicContact CG1-CG2 3.77Å
371	S	69.6	Low	68.4	Low	47 Å²	47	123.3 Å²	123.3	33%	0.329	66%	0.655	S	S	.	*			trans	-57.8	147.6	-179.7	71.7	0	0	0	0	111.6	L369 S373 T374 V375	L369-S371 PolarHBondContact O-N 3.31Å; S371-S373 PolarHBondContact O-N 3.14Å; S371-S373 VanDerWaalsContact O-N 3.15Å; S371-S373 PolarHBondContact OG-OG 3.12Å; S371-T374 WeakPolarHBondContact O-CA 3.48Å; S371-T374 WeakPolarHBondContact O-CB 3.37Å; S371-T374 PolarHBondContact O-N 2.86Å; S371-T374 PolarHBondContact OG-N 3.17Å; S371-T374 VanDerWaalsContact OG-N 3.12Å; S371-T374 PolarHBondContact OG-OG1 3.44Å; S371-V375 PolarHBondContact O-N 3.1Å; S371-V375 VanDerWaalsContact O-N 3.08Å
372	V	77.1	Confident	70.9	Confident	127 Å²	127	126.6 Å²	126.6	77%	0.77	65%	0.65	S	S	*	*	H	α-helix	trans	-56.4	-32.2	174.5	-177.9	0	0	0	0	111.2	T374 V375 K376	V372-T374 VanDerWaalsContact C-N 3.34Å; V372-T374 PolarHBondContact O-N 3.35Å; V372-V375 PolarHBondContact O-N 2.82Å; V372-K376 WeakPolarHBondContact O-CB 3.25Å; V372-K376 PolarHBondContact O-N 3.32Å
373	S	79.3	Confident	73.4	Confident	73 Å²	73	121.1 Å²	121.1	51%	0.51	63%	0.63	S	S	.	*	H	α-helix	trans	-65.7	-32.2	172.9	59.3	0	0	0	0	113.6	S371 K377	S371-S373 PolarHBondContact O-N 3.14Å; S371-S373 VanDerWaalsContact O-N 3.15Å; S371-S373 PolarHBondContact OG-OG 3.12Å; S373-K377 WeakPolarHBondContact O-CB 3.4Å; S373-K377 VanDerWaalsContact O-CG 3.28Å; S373-K377 WeakPolarHBondContact O-CG 3.28Å; S373-K377 PolarHBondContact O-N 3.28Å
374	T	81.2	Confident	75.5	Confident	54 Å²	54	118 Å²	118	33%	0.331	61%	0.614	S	S	.	*	H	α-helix	trans	-72.5	-41.1	174.1	-56.3	0	0	0	0	111.2	V370 S371 V372 R378	V370-T374 HydrophobicContact CG1-CG2 4.13Å; S371-T374 WeakPolarHBondContact O-CA 3.48Å; S371-T374 WeakPolarHBondContact O-CB 3.37Å; S371-T374 PolarHBondContact O-N 2.86Å; S371-T374 PolarHBondContact OG-N 3.17Å; S371-T374 VanDerWaalsContact OG-N 3.12Å; S371-T374 PolarHBondContact OG-OG1 3.44Å; V372-T374 VanDerWaalsContact C-N 3.34Å; V372-T374 PolarHBondContact O-N 3.35Å; T374-R378 WeakPolarHBondContact O-CG 3.43Å; T374-R378 PolarHBondContact O-N 3.28Å
375	V	84.9	Confident	77.8	Confident	65 Å²	65	116.1 Å²	116.1	39%	0.394	60%	0.604	S	S	.	*	H	α-helix	trans	-63.1	-48.6	173.5	-175.6	0	0	0	0	110.4	V370 S371 V372 K377 R378 I379	V370-V375 HydrophobicContact CG1-CG2 3.77Å; S371-V375 PolarHBondContact O-N 3.1Å; S371-V375 VanDerWaalsContact O-N 3.08Å; V372-V375 PolarHBondContact O-N 2.82Å; V375-K377 PolarHBondContact O-N 2.99Å; V375-R378 PolarHBondContact O-N 2.65Å; V375-R378 VanDerWaalsContact O-N 3.11Å; V375-I379 HydrophobicContact CG1-CD1 3.88Å; V375-I379 HydrophobicContact CG1-CG1 4.44Å; V375-I379 WeakPolarHBondContact O-CG1 3.42Å; V375-I379 PolarHBondContact O-N 2.87Å
376	K	86.1	Confident	79.9	Confident	150 Å²	150	112.2 Å²	112.2	65%	0.652	59%	0.592	S	S	*	*	H	α-helix	trans	-56.1	-49.1	176.2	-171.7	173.8	-178	176.5	0	111.3	V372 R378 I379 T380	V372-K376 WeakPolarHBondContact O-CB 3.25Å; V372-K376 PolarHBondContact O-N 3.32Å; K376-R378 VanDerWaalsContact C-N 3.32Å; K376-R378 PolarHBondContact O-N 3.15Å; K376-I379 PolarHBondContact O-N 3.34Å; K376-T380 PolarHBondContact O-N 2.74Å; K376-T380 PolarHBondContact O-OG1 3.24Å; K376-T380 VanDerWaalsContact O-OG1 3.08Å
377	K	87.9	Confident	82.1	Confident	161 Å²	161	111 Å²	111	70%	0.7	58%	0.576	S	S	*	*	H	α-helix	trans	-58.4	-38.5	175.6	-78.4	178.4	177.3	-174.2	0	113.1	S373 V375 K381	S373-K377 WeakPolarHBondContact O-CB 3.4Å; S373-K377 VanDerWaalsContact O-CG 3.28Å; S373-K377 WeakPolarHBondContact O-CG 3.28Å; S373-K377 PolarHBondContact O-N 3.28Å; V375-K377 PolarHBondContact O-N 2.99Å; K377-K381 WeakPolarHBondContact O-CB 3.44Å; K377-K381 PolarHBondContact O-N 3.09Å
378	R	87.5	Confident	83.7	Confident	169 Å²	169	108.4 Å²	108.4	64%	0.638	56%	0.559	S	S	*	*	H	α-helix	trans	-68	-40.5	175.1	-73.7	176.8	-179.7	-175.4	0.8	112.4	T374 V375 K376 K382	T374-R378 WeakPolarHBondContact O-CG 3.43Å; T374-R378 PolarHBondContact O-N 3.28Å; V375-R378 PolarHBondContact O-N 2.65Å; V375-R378 VanDerWaalsContact O-N 3.11Å; K376-R378 VanDerWaalsContact C-N 3.32Å; K376-R378 PolarHBondContact O-N 3.15Å; R378-K382 PolarHBondContact O-N 2.99Å
379	I	89.7	Confident	85.6	Confident	109 Å²	109	106.7 Å²	106.7	56%	0.559	55%	0.547	S	S	*	.	H	α-helix	trans	-66	-48.7	176.3	-67.4	171	0	0	0	110.3	V375 K376 K381 K382 L383	V375-I379 HydrophobicContact CG1-CD1 3.88Å; V375-I379 HydrophobicContact CG1-CG1 4.44Å; V375-I379 WeakPolarHBondContact O-CG1 3.42Å; V375-I379 PolarHBondContact O-N 2.87Å; K376-I379 PolarHBondContact O-N 3.34Å; I379-K381 PolarHBondContact O-N 3.47Å; I379-K382 PolarHBondContact O-N 2.92Å; I379-L383 WeakPolarHBondContact O-CB 3.26Å; I379-L383 PolarHBondContact O-N 3.14Å
380	T	91.1	Very high	87.5	Confident	61 Å²	61	105.2 Å²	105.2	37%	0.374	53%	0.53	S	S	.	.	H	α-helix	trans	-57.1	-49.4	175.6	-57.6	0	0	0	0	111	K376 K382 L383 D384	K376-T380 PolarHBondContact O-N 2.74Å; K376-T380 PolarHBondContact O-OG1 3.24Å; K376-T380 VanDerWaalsContact O-OG1 3.08Å; T380-K382 VanDerWaalsContact C-N 3.31Å; T380-K382 PolarHBondContact O-N 3.1Å; T380-L383 WeakPolarHBondContact O-CB 3.42Å; T380-L383 PolarHBondContact O-N 3.32Å; T380-D384 VanDerWaalsContact CG2-OD2 3.26Å; T380-D384 WeakPolarHBondContact CG2-OD2 3.46Å; T380-D384 VanDerWaalsContact O-CG 3.3Å; T380-D384 PolarHBondContact O-N 3.02Å
381	K	92.3	Very high	89.2	Confident	168 Å²	168	109 Å²	109	73%	0.73	54%	0.535	S	S	*	.	H	α-helix	trans	-60	-36.2	176.8	-174.7	170.1	-179.1	174.3	0	113.3	K377 I379 S385	K377-K381 WeakPolarHBondContact O-CB 3.44Å; K377-K381 PolarHBondContact O-N 3.09Å; I379-K381 PolarHBondContact O-N 3.47Å; K381-S385 VanDerWaalsContact O-CB 3.28Å; K381-S385 WeakPolarHBondContact O-CB 3.36Å; K381-S385 PolarHBondContact O-N 2.9Å; K381-S385 VanDerWaalsContact O-N 3.11Å
382	K	92.1	Very high	90.4	Very high	171 Å²	171	109.6 Å²	109.6	74%	0.743	54%	0.543	S	S	*	.	H	α-helix	trans	-69	-41.5	172.4	-85.1	-157.4	172.2	-163.4	0	112.4	R378 I379 T380 S385 L386	R378-K382 PolarHBondContact O-N 2.99Å; I379-K382 PolarHBondContact O-N 2.92Å; T380-K382 VanDerWaalsContact C-N 3.31Å; T380-K382 PolarHBondContact O-N 3.1Å; K382-S385 PolarHBondContact O-N 3.27Å; K382-L386 WeakPolarHBondContact O-CB 3.34Å; K382-L386 PolarHBondContact O-N 3.35Å
383	L	94.8	Very high	91.2	Very high	87 Å²	87	111.9 Å²	111.9	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178.8	177.6	62.8	0	0	0	111.5	I379 T380 L386 K387	I379-L383 WeakPolarHBondContact O-CB 3.26Å; I379-L383 PolarHBondContact O-N 3.14Å; T380-L383 WeakPolarHBondContact O-CB 3.42Å; T380-L383 PolarHBondContact O-N 3.32Å; L383-L386 PolarHBondContact O-N 3.14Å; L383-K387 WeakPolarHBondContact O-CG 3.04Å; L383-K387 PolarHBondContact O-N 2.79Å
384	D	93.6	Very high	92	Very high	73 Å²	73	111.8 Å²	111.8	39%	0.39	53%	0.529	S	S	.	.	H	α-helix	trans	-72	-37.6	179.8	-58.6	-33.4	0	0	0	111.2	T380 L386 K387 E388	T380-D384 VanDerWaalsContact CG2-OD2 3.26Å; T380-D384 WeakPolarHBondContact CG2-OD2 3.46Å; T380-D384 VanDerWaalsContact O-CG 3.3Å; T380-D384 PolarHBondContact O-N 3.02Å; D384-L386 VanDerWaalsContact C-N 3.28Å; D384-L386 PolarHBondContact O-N 3.44Å; D384-K387 PolarHBondContact O-N 2.68Å; D384-K387 IonicContact OD1-NZ 2.88Å; D384-K387 PolarHBondContact OD1-NZ 3.19Å; D384-E388 PolarHBondContact O-N 2.98Å
385	S	95.1	Very high	92.6	Very high	74 Å²	74	111.7 Å²	111.7	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-60.3	-36	168.5	-175	0	0	0	0	112.8	K381 K382 V389	K381-S385 VanDerWaalsContact O-CB 3.28Å; K381-S385 WeakPolarHBondContact O-CB 3.36Å; K381-S385 PolarHBondContact O-N 2.9Å; K381-S385 VanDerWaalsContact O-N 3.11Å; K382-S385 PolarHBondContact O-N 3.27Å; S385-V389 WeakPolarHBondContact O-CG2 3.38Å; S385-V389 PolarHBondContact O-N 3.26Å; S385-V389 VanDerWaalsContact O-N 3.12Å
386	L	94.8	Very high	93.1	Very high	115 Å²	115	112.8 Å²	112.8	60%	0.602	54%	0.535	S	S	*	.	H	α-helix	trans	-74.1	-39	177.9	-176.6	63.5	0	0	0	111.8	K382 L383 D384 E388 V389 Y390	K382-L386 WeakPolarHBondContact O-CB 3.34Å; K382-L386 PolarHBondContact O-N 3.35Å; L383-L386 PolarHBondContact O-N 3.14Å; D384-L386 VanDerWaalsContact C-N 3.28Å; D384-L386 PolarHBondContact O-N 3.44Å; L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 2.89Å; L386-V389 PolarHBondContact O-N 3.04Å; L386-Y390 WeakPolarHBondContact O-CB 3.37Å; L386-Y390 PolarHBondContact O-N 3.09Å
387	K	94.6	Very high	93.6	Very high	103 Å²	103	109.9 Å²	109.9	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-40	172.5	-72	170.1	-170.3	156.1	0	111.7	L383 D384 Y390 R391	L383-K387 WeakPolarHBondContact O-CG 3.04Å; L383-K387 PolarHBondContact O-N 2.79Å; D384-K387 PolarHBondContact O-N 2.68Å; D384-K387 IonicContact OD1-NZ 2.88Å; D384-K387 PolarHBondContact OD1-NZ 3.19Å; K387-Y390 PolarHBondContact O-N 3.28Å; K387-R391 WeakPolarHBondContact O-CG 3.19Å; K387-R391 PolarHBondContact O-N 3.24Å
388	E	95	Very high	94	Very high	107 Å²	107	108.6 Å²	108.6	50%	0.5	52%	0.517	S	S	.	.	H	α-helix	trans	-71.9	-40	-179.9	-158.9	57.7	-154.5	0	0	111.6	D384 L386 Y390 R391 A392	D384-E388 PolarHBondContact O-N 2.98Å; L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 2.89Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 2.85Å; E388-R391 PolarHBondContact O-N 3.24Å; E388-R391 WeakPolarHBondContact OE2-CD 3.33Å; E388-R391 IonicContact OE2-NH1 3.07Å; E388-R391 PolarHBondContact OE2-NH1 3.1Å; E388-A392 WeakPolarHBondContact O-CB 3.36Å; E388-A392 PolarHBondContact O-N 3.32Å
389	V	95.8	Very high	94.4	Very high	71 Å²	71	106.9 Å²	106.9	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-37.8	169.7	170.5	0	0	0	0	111.9	S385 L386 A392 R393	S385-V389 WeakPolarHBondContact O-CG2 3.38Å; S385-V389 PolarHBondContact O-N 3.26Å; S385-V389 VanDerWaalsContact O-N 3.12Å; L386-V389 PolarHBondContact O-N 3.04Å; V389-A392 PolarHBondContact O-N 3.39Å; V389-R393 WeakPolarHBondContact O-CB 3.5Å; V389-R393 WeakPolarHBondContact O-CG 3.38Å; V389-R393 PolarHBondContact O-N 2.91Å
390	Y	94.4	Very high	94.7	Very high	146 Å²	146	107.2 Å²	107.2	57%	0.573	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-46.1	174.5	176.4	-94.3	0	0	0	111.6	L386 K387 E388 R393 Q394	L386-Y390 WeakPolarHBondContact O-CB 3.37Å; L386-Y390 PolarHBondContact O-N 3.09Å; K387-Y390 PolarHBondContact O-N 3.28Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 2.85Å; Y390-R393 PolarHBondContact O-N 3.01Å; Y390-Q394 WeakPolarHBondContact O-CB 3.28Å; Y390-Q394 PolarHBondContact O-N 3.33Å
391	R	95.8	Very high	94.9	Very high	158 Å²	158	109 Å²	109	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-59.4	-46.6	174	-78	171.1	167.7	-179.7	-7.9	112.2	K387 E388 R393 Q394 A395	K387-R391 WeakPolarHBondContact O-CG 3.19Å; K387-R391 PolarHBondContact O-N 3.24Å; E388-R391 PolarHBondContact O-N 3.24Å; E388-R391 WeakPolarHBondContact OE2-CD 3.33Å; E388-R391 IonicContact OE2-NH1 3.07Å; E388-R391 PolarHBondContact OE2-NH1 3.1Å; R391-R393 PolarHBondContact O-N 3.24Å; R391-Q394 PolarHBondContact O-N 3.22Å; R391-A395 WeakPolarHBondContact O-CB 3.43Å; R391-A395 PolarHBondContact O-N 3.15Å
392	A	94.8	Very high	95.1	Very high	59 Å²	59	102.1 Å²	102.1	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-59	-46.7	177.7	0	0	0	0	0	111.2	E388 V389 Q394 A395 E396	E388-A392 WeakPolarHBondContact O-CB 3.36Å; E388-A392 PolarHBondContact O-N 3.32Å; V389-A392 PolarHBondContact O-N 3.39Å; A392-Q394 PolarHBondContact O-N 2.84Å; A392-A395 PolarHBondContact O-N 2.86Å; A392-E396 VanDerWaalsContact O-CB 3.29Å; A392-E396 WeakPolarHBondContact O-CB 3.24Å; A392-E396 PolarHBondContact O-N 3.1Å
393	R	93.9	Very high	95.3	Very high	175 Å²	175	98.6 Å²	98.6	66%	0.66	48%	0.481	S	S	*	.	H	α-helix	trans	-63.4	-37.9	174.2	-75.4	-179.4	174.1	-161	-3.3	113.2	V389 Y390 R391 A395 E396 L397	V389-R393 WeakPolarHBondContact O-CB 3.5Å; V389-R393 WeakPolarHBondContact O-CG 3.38Å; V389-R393 PolarHBondContact O-N 2.91Å; Y390-R393 PolarHBondContact O-N 3.01Å; R391-R393 PolarHBondContact O-N 3.24Å; R393-A395 VanDerWaalsContact C-N 3.35Å; R393-E396 PolarHBondContact O-N 3.02Å; R393-L397 VanDerWaalsContact O-CB 3.25Å; R393-L397 WeakPolarHBondContact O-CB 3.4Å; R393-L397 PolarHBondContact O-N 3.27Å
394	Q	95.9	Very high	95.4	Very high	71 Å²	71	96.9 Å²	96.9	33%	0.332	48%	0.479	S	S	.	.	H	α-helix	trans	-75.8	-23.9	178.6	-150.2	-158.9	35.5	0	0	112.6	Y390 R391 A392 R398	Y390-Q394 WeakPolarHBondContact O-CB 3.28Å; Y390-Q394 PolarHBondContact O-N 3.33Å; R391-Q394 PolarHBondContact O-N 3.22Å; A392-Q394 PolarHBondContact O-N 2.84Å; Q394-R398 VanDerWaalsContact CD-NH1 3.29Å; Q394-R398 VanDerWaalsContact CD-NH2 3.29Å; Q394-R398 WeakPolarHBondContact O-CG 3.18Å; Q394-R398 PolarHBondContact O-N 3.24Å; Q394-R398 PolarHBondContact O-NH1 3.01Å
395	A	94.6	Very high	95.5	Very high	53 Å²	53	99.4 Å²	99.4	44%	0.438	49%	0.489	S	S	.	.	H	α-helix	trans	-75.7	-42.4	168.8	0	0	0	0	0	110.7	R391 A392 R393 R398 R399	R391-A395 WeakPolarHBondContact O-CB 3.43Å; R391-A395 PolarHBondContact O-N 3.15Å; A392-A395 PolarHBondContact O-N 2.86Å; R393-A395 VanDerWaalsContact C-N 3.35Å; A395-R398 PolarHBondContact O-N 3.21Å; A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 2.88Å
396	E	95.3	Very high	95.5	Very high	87 Å²	87	101 Å²	101	41%	0.407	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-43.8	175.5	176.5	145.4	-90.7	0	0	113.5	A392 R393 R398 R399 M400	A392-E396 VanDerWaalsContact O-CB 3.29Å; A392-E396 WeakPolarHBondContact O-CB 3.24Å; A392-E396 PolarHBondContact O-N 3.1Å; R393-E396 PolarHBondContact O-N 3.02Å; E396-R398 VanDerWaalsContact C-N 3.35Å; E396-R398 PolarHBondContact O-N 3.2Å; E396-R399 WeakPolarHBondContact O-CB 3.48Å; E396-R399 PolarHBondContact O-N 2.75Å; E396-R399 VanDerWaalsContact O-N 3.14Å; E396-R399 IonicContact OE1-CZ 3.52Å; E396-R399 IonicContact OE1-NH1 3.33Å; E396-R399 PolarHBondContact OE1-NH1 2.93Å; E396-R399 IonicContact OE1-NH2 2.78Å; E396-R399 PolarHBondContact OE1-NH2 3.32Å; E396-M400 PolarHBondContact O-N 2.69Å
397	L	95.6	Very high	95.4	Very high	89 Å²	89	98.4 Å²	98.4	47%	0.466	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-44.1	175.4	-172.6	146.1	0	0	0	110.8	R393 R399 M400 E401	R393-L397 VanDerWaalsContact O-CB 3.25Å; R393-L397 WeakPolarHBondContact O-CB 3.4Å; R393-L397 PolarHBondContact O-N 3.27Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 2.91Å; L397-M400 PolarHBondContact O-N 2.94Å; L397-M400 VanDerWaalsContact O-N 3.15Å; L397-E401 VanDerWaalsContact CD2-CD 3.41Å; L397-E401 HydrophobicContact CD2-CG 4.21Å; L397-E401 VanDerWaalsContact CD2-OE1 3.26Å; L397-E401 WeakPolarHBondContact CD2-OE1 3.42Å; L397-E401 WeakPolarHBondContact CD2-OE2 3.4Å; L397-E401 WeakPolarHBondContact O-CG 3.18Å; L397-E401 PolarHBondContact O-N 3.48Å
398	R	96.3	Very high	95.4	Very high	134 Å²	134	99.9 Å²	99.9	51%	0.506	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-31.3	172.9	-73.3	-177	-168.2	95.8	-8.1	114.5	Q394 A395 E396 E401 G402	Q394-R398 VanDerWaalsContact CD-NH1 3.29Å; Q394-R398 VanDerWaalsContact CD-NH2 3.29Å; Q394-R398 WeakPolarHBondContact O-CG 3.18Å; Q394-R398 PolarHBondContact O-N 3.24Å; Q394-R398 PolarHBondContact O-NH1 3.01Å; A395-R398 PolarHBondContact O-N 3.21Å; E396-R398 VanDerWaalsContact C-N 3.35Å; E396-R398 PolarHBondContact O-N 3.2Å; R398-E401 WeakPolarHBondContact CA-OE2 3.42Å; R398-G402 PolarHBondContact O-N 2.81Å; R398-G402 VanDerWaalsContact O-N 3.12Å
399	R	96.9	Very high	95.2	Very high	133 Å²	133	97.9 Å²	97.9	50%	0.502	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-51.5	170.1	-61.9	-164.4	-39.5	-89.7	-7.6	109.6	A395 E396 L397 E401 G402 D403	A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 2.88Å; E396-R399 WeakPolarHBondContact O-CB 3.48Å; E396-R399 PolarHBondContact O-N 2.75Å; E396-R399 VanDerWaalsContact O-N 3.14Å; E396-R399 IonicContact OE1-CZ 3.52Å; E396-R399 IonicContact OE1-NH1 3.33Å; E396-R399 PolarHBondContact OE1-NH1 2.93Å; E396-R399 IonicContact OE1-NH2 2.78Å; E396-R399 PolarHBondContact OE1-NH2 3.32Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 2.91Å; R399-E401 VanDerWaalsContact C-N 3.28Å; R399-E401 PolarHBondContact O-N 3.25Å; R399-G402 CarbonylContact O-C 3.51Å; R399-G402 PolarHBondContact O-N 3.27Å; R399-G402 VanDerWaalsContact O-N 3.12Å; R399-D403 WeakPolarHBondContact O-CB 3.48Å; R399-D403 PolarHBondContact O-N 3.36Å; R399-D403 VanDerWaalsContact O-OD2 3.12Å
400	M	95.6	Very high	94.8	Very high	116 Å²	116	97.8 Å²	97.8	57%	0.571	49%	0.493	S	S	*	.	H	α-helix	trans	-64.6	-30.8	-178.4	-63	-163.6	-49.2	0	0	113.2	E396 L397 A404	E396-M400 PolarHBondContact O-N 2.69Å; L397-M400 PolarHBondContact O-N 2.94Å; L397-M400 VanDerWaalsContact O-N 3.15Å; M400-A404 WeakPolarHBondContact O-CB 3.29Å; M400-A404 PolarHBondContact O-N 2.91Å
401	E	96.4	Very high	94.4	Very high	99 Å²	99	95.7 Å²	95.7	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-61.6	-54.3	168.9	-72.5	169	150.5	0	0	110.6	L397 R398 R399 D403 A404 E405	L397-E401 VanDerWaalsContact CD2-CD 3.41Å; L397-E401 HydrophobicContact CD2-CG 4.21Å; L397-E401 VanDerWaalsContact CD2-OE1 3.26Å; L397-E401 WeakPolarHBondContact CD2-OE1 3.42Å; L397-E401 WeakPolarHBondContact CD2-OE2 3.4Å; L397-E401 WeakPolarHBondContact O-CG 3.18Å; L397-E401 PolarHBondContact O-N 3.48Å; R398-E401 WeakPolarHBondContact CA-OE2 3.42Å; R399-E401 VanDerWaalsContact C-N 3.28Å; R399-E401 PolarHBondContact O-N 3.25Å; E401-D403 PolarHBondContact O-N 2.87Å; E401-A404 PolarHBondContact O-N 3.32Å; E401-A404 VanDerWaalsContact O-N 3.17Å; E401-E405 WeakPolarHBondContact O-CG 3.33Å; E401-E405 PolarHBondContact O-N 2.96Å
402	G	95.7	Very high	93.9	Very high	24 Å²	24	93 Å²	93	25%	0.247	49%	0.486	C	S	.	.	H	α-helix	trans	-66.8	-31.9	178.3	0	0	0	0	0	114.7	R398 R399 N406	R398-G402 PolarHBondContact O-N 2.81Å; R398-G402 VanDerWaalsContact O-N 3.12Å; R399-G402 CarbonylContact O-C 3.51Å; R399-G402 PolarHBondContact O-N 3.27Å; R399-G402 VanDerWaalsContact O-N 3.12Å; G402-N406 WeakPolarHBondContact O-CB 3.29Å; G402-N406 PolarHBondContact O-N 3.47Å; G402-N406 PolarHBondContact O-ND2 3.03Å
403	D	96.5	Very high	93.3	Very high	97 Å²	97	96 Å²	96	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-38.2	172.9	-66.1	-35	0	0	0	110.2	R399 E401 A407	R399-D403 WeakPolarHBondContact O-CB 3.48Å; R399-D403 PolarHBondContact O-N 3.36Å; R399-D403 VanDerWaalsContact O-OD2 3.12Å; E401-D403 PolarHBondContact O-N 2.87Å; D403-A407 VanDerWaalsContact O-CB 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.18Å; D403-A407 PolarHBondContact O-N 3.03Å
404	A	95.6	Very high	92.5	Very high	50 Å²	50	93.4 Å²	93.4	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-74.7	-34.7	175.9	0	0	0	0	0	113.1	M400 E401 A407 K408	M400-A404 WeakPolarHBondContact O-CB 3.29Å; M400-A404 PolarHBondContact O-N 2.91Å; E401-A404 PolarHBondContact O-N 3.32Å; E401-A404 VanDerWaalsContact O-N 3.17Å; A404-A407 PolarHBondContact O-N 3.17Å; A404-K408 WeakPolarHBondContact O-CG 3.42Å; A404-K408 PolarHBondContact O-N 3.19Å
405	E	96.2	Very high	91.4	Very high	126 Å²	126	97.6 Å²	97.6	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-48.6	171.9	-73.5	172.7	173.6	0	0	110.8	E401 A407 K408 S409	E401-E405 WeakPolarHBondContact O-CG 3.33Å; E401-E405 PolarHBondContact O-N 2.96Å; E405-A407 VanDerWaalsContact C-N 3.27Å; E405-A407 PolarHBondContact O-N 2.97Å; E405-K408 WeakPolarHBondContact O-CB 3.35Å; E405-K408 PolarHBondContact O-N 3.48Å; E405-K408 VanDerWaalsContact O-N 3.14Å; E405-S409 PolarHBondContact O-N 3.02Å
406	N	95.6	Very high	90	Very high	109 Å²	109	103 Å²	103	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-57	-40.1	172	-84.3	-33.8	0	0	0	112.2	G402 S410	G402-N406 WeakPolarHBondContact O-CB 3.29Å; G402-N406 PolarHBondContact O-N 3.47Å; G402-N406 PolarHBondContact O-ND2 3.03Å; N406-S410 VanDerWaalsContact O-CB 3.24Å; N406-S410 WeakPolarHBondContact O-CB 3.48Å; N406-S410 PolarHBondContact O-N 2.98Å; N406-S410 PolarHBondContact O-OG 3.16Å
407	A	93.6	Very high	88.6	Confident	59 Å²	59	100.7 Å²	100.7	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-37.5	177.8	0	0	0	0	0	112.5	D403 A404 E405 L411	D403-A407 VanDerWaalsContact O-CB 3.28Å; D403-A407 WeakPolarHBondContact O-CB 3.18Å; D403-A407 PolarHBondContact O-N 3.03Å; A404-A407 PolarHBondContact O-N 3.17Å; E405-A407 VanDerWaalsContact C-N 3.27Å; E405-A407 PolarHBondContact O-N 2.97Å; A407-L411 WeakPolarHBondContact O-CB 3.43Å; A407-L411 PolarHBondContact O-N 3.15Å; A407-L411 VanDerWaalsContact O-N 3.1Å
408	K	93.9	Very high	87	Confident	134 Å²	134	100.7 Å²	100.7	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-53.8	173.2	-73.9	173.1	179.3	-177.4	0	111.6	A404 E405 S410 L411 E412	A404-K408 WeakPolarHBondContact O-CG 3.42Å; A404-K408 PolarHBondContact O-N 3.19Å; E405-K408 WeakPolarHBondContact O-CB 3.35Å; E405-K408 PolarHBondContact O-N 3.48Å; E405-K408 VanDerWaalsContact O-N 3.14Å; K408-S410 PolarHBondContact O-N 2.87Å; K408-L411 CarbonylContact O-C 3.59Å; K408-L411 WeakPolarHBondContact O-CA 3.22Å; K408-L411 WeakPolarHBondContact O-CB 3.42Å; K408-L411 PolarHBondContact O-N 3.42Å; K408-E412 WeakPolarHBondContact O-CG 3.26Å; K408-E412 PolarHBondContact O-N 3.31Å
409	S	90.8	Very high	85.9	Confident	66 Å²	66	97 Å²	97	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-24.6	-179.1	-58	0	0	0	0	113.3	E405 E412 L413	E405-S409 PolarHBondContact O-N 3.02Å; S409-E412 WeakPolarHBondContact CA-OE2 3.43Å; S409-E412 PolarHBondContact OG-OE2 3.31Å; S409-L413 WeakPolarHBondContact O-CB 3.46Å; S409-L413 PolarHBondContact O-N 3.43Å; S409-L413 VanDerWaalsContact O-N 3.1Å
410	S	88	Confident	85.2	Confident	68 Å²	68	95.5 Å²	95.5	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-73	-29.6	168.8	-57.8	0	0	0	0	112.9	N406 K408 L414	N406-S410 VanDerWaalsContact O-CB 3.24Å; N406-S410 WeakPolarHBondContact O-CB 3.48Å; N406-S410 PolarHBondContact O-N 2.98Å; N406-S410 PolarHBondContact O-OG 3.16Å; K408-S410 PolarHBondContact O-N 2.87Å; S410-L414 WeakPolarHBondContact O-CB 3.32Å; S410-L414 WeakPolarHBondContact O-CD1 3.46Å; S410-L414 WeakPolarHBondContact O-CG 3.47Å; S410-L414 PolarHBondContact O-N 3.01Å
411	L	85.3	Confident	84.7	Confident	102 Å²	102	92.5 Å²	92.5	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-77	-48.6	176.2	-168.1	160.2	0	0	0	110	A407 K408 L413 L414 E415	A407-L411 WeakPolarHBondContact O-CB 3.43Å; A407-L411 PolarHBondContact O-N 3.15Å; A407-L411 VanDerWaalsContact O-N 3.1Å; K408-L411 CarbonylContact O-C 3.59Å; K408-L411 WeakPolarHBondContact O-CA 3.22Å; K408-L411 WeakPolarHBondContact O-CB 3.42Å; K408-L411 PolarHBondContact O-N 3.42Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 PolarHBondContact O-N 2.85Å; L411-L414 PolarHBondContact O-N 3.18Å; L411-E415 WeakPolarHBondContact CD2-OE2 3.2Å; L411-E415 WeakPolarHBondContact O-CB 3.37Å; L411-E415 PolarHBondContact O-N 3.48Å
412	E	84.5	Confident	84.3	Confident	101 Å²	101	90.8 Å²	90.8	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-51.7	-50.6	173	-68.8	160.6	173.8	0	0	110.5	K408 S409 L414 E415 E416	K408-E412 WeakPolarHBondContact O-CG 3.26Å; K408-E412 PolarHBondContact O-N 3.31Å; S409-E412 WeakPolarHBondContact CA-OE2 3.43Å; S409-E412 PolarHBondContact OG-OE2 3.31Å; E412-L414 VanDerWaalsContact C-N 3.27Å; E412-L414 PolarHBondContact O-N 2.89Å; E412-E415 PolarHBondContact O-N 3.17Å; E412-E415 VanDerWaalsContact O-N 3.15Å; E412-E416 WeakPolarHBondContact O-CB 3.45Å; E412-E416 WeakPolarHBondContact O-CG 3.47Å; E412-E416 PolarHBondContact O-N 2.85Å
413	L	83.4	Confident	84	Confident	123 Å²	123	93.8 Å²	93.8	64%	0.644	52%	0.517	S	S	*	.	H	α-helix	trans	-69	-18.6	179.5	-171.9	141.8	0	0	0	114.5	S409 L411	S409-L413 WeakPolarHBondContact O-CB 3.46Å; S409-L413 PolarHBondContact O-N 3.43Å; S409-L413 VanDerWaalsContact O-N 3.1Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 PolarHBondContact O-N 2.85Å
414	L	76.1	Confident	83.8	Confident	121 Å²	121	95.9 Å²	95.9	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-85.4	-34.8	170.5	-76.4	169.6	0	0	0	111.9	S410 L411 E412 S417	S410-L414 WeakPolarHBondContact O-CB 3.32Å; S410-L414 WeakPolarHBondContact O-CD1 3.46Å; S410-L414 WeakPolarHBondContact O-CG 3.47Å; S410-L414 PolarHBondContact O-N 3.01Å; L411-L414 PolarHBondContact O-N 3.18Å; E412-L414 VanDerWaalsContact C-N 3.27Å; E412-L414 PolarHBondContact O-N 2.89Å; L414-S417 VanDerWaalsContact O-CB 3.29Å; L414-S417 WeakPolarHBondContact O-CB 3.47Å; L414-S417 PolarHBondContact O-N 3.03Å; L414-S417 PolarHBondContact O-OG 2.75Å
415	E	73.3	Confident	83.7	Confident	159 Å²	159	94.8 Å²	94.8	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-76.1	-34.9	179.2	-167.9	158.5	-143.7	0	0	111.8	L411 E412 S417	L411-E415 WeakPolarHBondContact CD2-OE2 3.2Å; L411-E415 WeakPolarHBondContact O-CB 3.37Å; L411-E415 PolarHBondContact O-N 3.48Å; E412-E415 PolarHBondContact O-N 3.17Å; E412-E415 VanDerWaalsContact O-N 3.15Å; E415-S417 PolarHBondContact O-N 3.16Å
416	E	66.2	Low	83.6	Confident	165 Å²	165	91.4 Å²	91.4	77%	0.771	49%	0.486	S	S	*	.	S	Bend	trans	-69.6	-10.1	166.4	-70.2	-175.6	157.7	0	0	113.3	E412 S418	E412-E416 WeakPolarHBondContact O-CB 3.45Å; E412-E416 WeakPolarHBondContact O-CG 3.47Å; E412-E416 PolarHBondContact O-N 2.85Å; E416-S418 PolarHBondContact O-N 2.95Å
417	S	64.4	Low	83.6	Confident	40 Å²	40	94 Å²	94	28%	0.28	49%	0.488	S	S	.	.			trans	-74.2	101.4	-179.3	84.7	0	0	0	0	110.8	L414 E415 S419 E420	L414-S417 VanDerWaalsContact O-CB 3.29Å; L414-S417 WeakPolarHBondContact O-CB 3.47Å; L414-S417 PolarHBondContact O-N 3.03Å; L414-S417 PolarHBondContact O-OG 2.75Å; E415-S417 PolarHBondContact O-N 3.16Å; S417-S419 PolarHBondContact O-N 3.17Å; S417-S419 PolarHBondContact OG-OG 3.31Å; S417-E420 PolarHBondContact O-N 3.23Å
418	S	62.7	Low	83.7	Confident	89 Å²	89	95.8 Å²	95.8	62%	0.622	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.2	-175.5	69	0	0	0	0	114.8	E416 E420 A421 Q422	E416-S418 PolarHBondContact O-N 2.95Å; S418-E420 PolarHBondContact O-N 3.15Å; S418-A421 PolarHBondContact O-N 3.06Å; S418-Q422 WeakPolarHBondContact O-CB 3.4Å; S418-Q422 PolarHBondContact O-N 2.76Å
419	S	72.8	Confident	83.8	Confident	57 Å²	57	89.9 Å²	89.9	40%	0.399	47%	0.468	S	S	.	.	H	α-helix	trans	-47.5	-38.7	171.8	75.5	0	0	0	0	114.3	S417 L423	S417-S419 PolarHBondContact O-N 3.17Å; S417-S419 PolarHBondContact OG-OG 3.31Å; S419-L423 VanDerWaalsContact O-CB 3.29Å; S419-L423 WeakPolarHBondContact O-CB 3.42Å; S419-L423 WeakPolarHBondContact O-CG 3.26Å; S419-L423 PolarHBondContact O-N 2.92Å
420	E	82.3	Confident	84.1	Confident	101 Å²	101	92.5 Å²	92.5	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-76.3	-41.1	-178.3	-143.1	-141.1	133.6	0	0	112	S417 S418 Q422 L423 R424	S417-E420 PolarHBondContact O-N 3.23Å; S418-E420 PolarHBondContact O-N 3.15Å; E420-Q422 VanDerWaalsContact C-N 3.31Å; E420-Q422 PolarHBondContact O-N 3.46Å; E420-L423 PolarHBondContact O-N 2.76Å; E420-R424 WeakPolarHBondContact O-CB 3.29Å; E420-R424 WeakPolarHBondContact O-CG 3.17Å; E420-R424 PolarHBondContact O-N 2.96Å; E420-R424 IonicContact OE1-CZ 3.82Å; E420-R424 VanDerWaalsContact OE1-CZ 3.22Å; E420-R424 IonicContact OE1-NE 3.22Å; E420-R424 PolarHBondContact OE1-NE 3.24Å; E420-R424 IonicContact OE1-NH2 3.24Å; E420-R424 PolarHBondContact OE1-NH2 3.18Å; E420-R424 IonicContact OE2-CZ 3.82Å; E420-R424 IonicContact OE2-NE 3.42Å; E420-R424 IonicContact OE2-NH2 3.85Å; E420-R424 PolarHBondContact OE2-NH2 3.05Å
421	A	84.8	Confident	84.5	Confident	53 Å²	53	94.6 Å²	94.6	44%	0.438	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-43	173	0	0	0	0	0	111.3	S418 R424 F425	S418-A421 PolarHBondContact O-N 3.06Å; A421-R424 PolarHBondContact O-N 2.96Å; A421-F425 WeakPolarHBondContact O-CB 3.35Å; A421-F425 PolarHBondContact O-N 3.36Å
422	Q	88.6	Confident	85.1	Confident	63 Å²	63	90.7 Å²	90.7	29%	0.294	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-43	175.6	-177.9	174.9	57.7	0	0	112.5	S418 E420 F425 Y426 Y563	S418-Q422 WeakPolarHBondContact O-CB 3.4Å; S418-Q422 PolarHBondContact O-N 2.76Å; E420-Q422 VanDerWaalsContact C-N 3.31Å; E420-Q422 PolarHBondContact O-N 3.46Å; Q422-F425 PolarHBondContact O-N 2.9Å; Q422-Y426 HydrophobicContact CG-CD2 3.92Å; Q422-Y426 HydrophobicContact CG-CE2 3.28Å; Q422-Y426 PolarHBondContact NE2-OH 2.87Å; Q422-Y426 WeakPolarHBondContact O-CD2 3.45Å; Q422-Y426 PolarHBondContact O-N 3.37Å; Q422-Y563 WeakPolarHBondContact CA-OH 3.27Å; Q422-Y563 HydrophobicContact CB-CE1 3.73Å; Q422-Y563 HydrophobicContact CG-CD1 4Å; Q422-Y563 HydrophobicContact CG-CE1 3.64Å; Q422-Y563 VanDerWaalsContact NE2-CD1 3.26Å
423	L	89.5	Confident	85.7	Confident	86 Å²	86	87.9 Å²	87.9	45%	0.45	45%	0.448	S	S	.	.	H	α-helix	trans	-68	-35.3	175.9	-76.3	169.5	0	0	0	112.7	S419 E420 R427	S419-L423 VanDerWaalsContact O-CB 3.29Å; S419-L423 WeakPolarHBondContact O-CB 3.42Å; S419-L423 WeakPolarHBondContact O-CG 3.26Å; S419-L423 PolarHBondContact O-N 2.92Å; E420-L423 PolarHBondContact O-N 2.76Å; L423-R427 WeakPolarHBondContact O-CB 3.22Å; L423-R427 WeakPolarHBondContact O-CD 3.43Å; L423-R427 WeakPolarHBondContact O-CG 3.46Å; L423-R427 PolarHBondContact O-N 3.03Å
424	R	91.4	Very high	86.4	Confident	141 Å²	141	87 Å²	87	53%	0.532	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-48.8	171.1	-69.9	168.5	-169.7	176	5.1	110.1	E420 A421 R427 T428	E420-R424 WeakPolarHBondContact O-CB 3.29Å; E420-R424 WeakPolarHBondContact O-CG 3.17Å; E420-R424 PolarHBondContact O-N 2.96Å; E420-R424 IonicContact OE1-CZ 3.82Å; E420-R424 VanDerWaalsContact OE1-CZ 3.22Å; E420-R424 IonicContact OE1-NE 3.22Å; E420-R424 PolarHBondContact OE1-NE 3.24Å; E420-R424 IonicContact OE1-NH2 3.24Å; E420-R424 PolarHBondContact OE1-NH2 3.18Å; E420-R424 IonicContact OE2-CZ 3.82Å; E420-R424 IonicContact OE2-NE 3.42Å; E420-R424 IonicContact OE2-NH2 3.85Å; E420-R424 PolarHBondContact OE2-NH2 3.05Å; A421-R424 PolarHBondContact O-N 2.96Å; R424-R427 PolarHBondContact O-N 3.21Å; R424-T428 PolarHBondContact O-N 3.12Å; R424-T428 PolarHBondContact O-OG1 2.89Å
425	F	94.4	Very high	87.4	Confident	27 Å²	27	85 Å²	85	12%	0.118	43%	0.43	C	S	.	.	H	α-helix	trans	-55.9	-53.7	177.4	177.1	-95	0	0	0	112.3	A421 Q422 R427 T428 M429 E558 W559 Y563	A421-F425 WeakPolarHBondContact O-CB 3.35Å; A421-F425 PolarHBondContact O-N 3.36Å; Q422-F425 PolarHBondContact O-N 2.9Å; F425-R427 VanDerWaalsContact C-N 3.3Å; F425-R427 PolarHBondContact O-N 3.1Å; F425-T428 PolarHBondContact O-N 2.95Å; F425-T428 VanDerWaalsContact O-N 3.14Å; F425-M429 HydrophobicContact CE1-CB 4.39Å; F425-M429 PolarHBondContact O-N 2.77Å; F425-E558 HydrophobicContact CE2-CG 4.13Å; F425-W559 HydrophobicContact CE1-CB 4.07Å; F425-W559 AromaticContact CE1-CD1 3.89Å; F425-W559 HydrophobicContact CE1-CD2 4.31Å; F425-W559 AromaticContact CE1-CG 3.81Å; F425-W559 HydrophobicContact CE1-CG 3.81Å; F425-W559 HydrophobicContact CZ-CB 3.73Å; F425-W559 HydrophobicContact CZ-CG 4Å; F425-Y563 HydrophobicContact CB-CE2 3.88Å; F425-Y563 AromaticContact CD1-CD2 3.54Å; F425-Y563 HydrophobicContact CD1-CD2 3.54Å; F425-Y563 AromaticContact CD1-CE2 3.42Å; F425-Y563 HydrophobicContact CD1-CE2 3.42Å; F425-Y563 VanDerWaalsContact CD1-CE2 3.42Å; F425-Y563 HydrophobicContact CD2-CE2 4.14Å; F425-Y563 AromaticContact CE1-CD2 3.72Å; F425-Y563 HydrophobicContact CE1-CD2 3.72Å; F425-Y563 HydrophobicContact CE1-CE2 4Å; F425-Y563 HydrophobicContact CG-CD2 4.12Å; F425-Y563 AromaticContact CG-CE2 3.52Å; F425-Y563 HydrophobicContact CG-CE2 3.52Å; F425-Y563 HydrophobicContact CZ-CD2 4.42Å
426	Y	94.6	Very high	88.5	Confident	56 Å²	56	77.4 Å²	77.4	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-34.9	-179.8	-63.8	-37.6	0	0	0	112.8	Q422 M429 I430 W559 Y563 S566	Q422-Y426 HydrophobicContact CG-CD2 3.92Å; Q422-Y426 HydrophobicContact CG-CE2 3.28Å; Q422-Y426 PolarHBondContact NE2-OH 2.87Å; Q422-Y426 WeakPolarHBondContact O-CD2 3.45Å; Q422-Y426 PolarHBondContact O-N 3.37Å; Y426-M429 PolarHBondContact O-N 2.89Å; Y426-I430 WeakPolarHBondContact O-CB 3.41Å; Y426-I430 WeakPolarHBondContact O-CD1 3.21Å; Y426-I430 WeakPolarHBondContact O-CG1 3.4Å; Y426-I430 PolarHBondContact O-N 3.38Å; Y426-W559 AromaticContact CE1-NE1 3.89Å; Y426-Y563 HydrophobicContact CE1-CD2 4.36Å; Y426-Y563 HydrophobicContact CE1-CG 4.41Å; Y426-S566 WeakPolarHBondContact CE1-OG 3.31Å; Y426-S566 VanDerWaalsContact OH-CB 3.26Å; Y426-S566 WeakPolarHBondContact OH-CB 3.48Å; Y426-S566 PolarHBondContact OH-OG 2.98Å
427	R	95.1	Very high	90	Very high	163 Å²	163	73 Å²	73	62%	0.615	38%	0.379	S	S	*	.	H	α-helix	trans	-64.4	-44.3	174.2	-74.2	169	-177.8	172.3	3.6	111.9	L423 R424 F425 L431	L423-R427 WeakPolarHBondContact O-CB 3.22Å; L423-R427 WeakPolarHBondContact O-CD 3.43Å; L423-R427 WeakPolarHBondContact O-CG 3.46Å; L423-R427 PolarHBondContact O-N 3.03Å; R424-R427 PolarHBondContact O-N 3.21Å; F425-R427 VanDerWaalsContact C-N 3.3Å; F425-R427 PolarHBondContact O-N 3.1Å; R427-L431 WeakPolarHBondContact O-CG 3.4Å; R427-L431 PolarHBondContact O-N 3.46Å; R427-L431 VanDerWaalsContact O-N 3.13Å
428	T	96.5	Very high	91.5	Very high	96 Å²	96	76.4 Å²	76.4	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-62.5	-45.2	175	-58.2	0	0	0	0	111.2	R424 F425 L431 Y432	R424-T428 PolarHBondContact O-N 3.12Å; R424-T428 PolarHBondContact O-OG1 2.89Å; F425-T428 PolarHBondContact O-N 2.95Å; F425-T428 VanDerWaalsContact O-N 3.14Å; T428-L431 PolarHBondContact O-N 2.79Å; T428-Y432 WeakPolarHBondContact O-CB 3.42Å; T428-Y432 PolarHBondContact O-N 3.4Å
429	M	96.2	Very high	93.2	Very high	11 Å²	11	73.4 Å²	73.4	5%	0.054	37%	0.369	C	S	.	.	H	α-helix	trans	-68.3	-36.6	-178.8	-164.1	58.5	-179.7	0	0	112.6	F425 Y426 Y432 V433 R555 F556 W559	F425-M429 HydrophobicContact CE1-CB 4.39Å; F425-M429 PolarHBondContact O-N 2.77Å; Y426-M429 PolarHBondContact O-N 2.89Å; M429-Y432 HydrophobicContact CE-CD1 4.02Å; M429-Y432 HydrophobicContact CE-CE1 4.38Å; M429-Y432 PolarHBondContact O-N 3.45Å; M429-Y432 HydrophobicContact SD-CD1 3.79Å; M429-V433 HydrophobicContact CE-CG2 3.97Å; M429-V433 HydrophobicContact CG-CG2 4.41Å; M429-V433 WeakPolarHBondContact O-CB 3.38Å; M429-V433 VanDerWaalsContact O-CG2 3.31Å; M429-V433 WeakPolarHBondContact O-CG2 3.4Å; M429-V433 PolarHBondContact O-N 2.8Å; M429-V433 HydrophobicContact SD-CG2 4.42Å; M429-R555 HydrophobicContact CE-CB 3.97Å; M429-R555 HydrophobicContact SD-CB 4.26Å; M429-F556 HydrophobicContact CE-CD1 3.45Å; M429-F556 VanDerWaalsContact CE-CD1 3.45Å; M429-F556 HydrophobicContact CE-CD2 4.35Å; M429-F556 HydrophobicContact CE-CE1 3.36Å; M429-F556 HydrophobicContact CE-CE2 4.24Å; M429-F556 HydrophobicContact CE-CG 3.99Å; M429-F556 HydrophobicContact CE-CZ 3.78Å; M429-W559 HydrophobicContact CE-CE3 3.96Å; M429-W559 HydrophobicContact CE-CZ3 4.5Å; M429-W559 HydrophobicContact CG-CE3 3.76Å; M429-W559 HydrophobicContact CG-CZ3 4Å
430	I	95.8	Very high	94.4	Very high	120 Å²	120	71.1 Å²	71.1	62%	0.615	35%	0.352	S	S	*	.	H	α-helix	trans	-61.9	-45.5	172.3	-73	164.2	0	0	0	110.9	Y426 H434	Y426-I430 WeakPolarHBondContact O-CB 3.41Å; Y426-I430 WeakPolarHBondContact O-CD1 3.21Å; Y426-I430 WeakPolarHBondContact O-CG1 3.4Å; Y426-I430 PolarHBondContact O-N 3.38Å; I430-H434 VanDerWaalsContact O-CB 3.3Å; I430-H434 WeakPolarHBondContact O-CB 3.37Å; I430-H434 PolarHBondContact O-N 3.29Å
431	L	97.1	Very high	95.1	Very high	112 Å²	112	72.3 Å²	72.3	59%	0.586	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-41.9	176.9	-72.1	167.4	0	0	0	111.9	R427 T428 H434 N435	R427-L431 WeakPolarHBondContact O-CG 3.4Å; R427-L431 PolarHBondContact O-N 3.46Å; R427-L431 VanDerWaalsContact O-N 3.13Å; T428-L431 PolarHBondContact O-N 2.79Å; L431-H434 PolarHBondContact O-N 2.92Å; L431-N435 WeakPolarHBondContact O-CB 3.46Å; L431-N435 PolarHBondContact O-N 3.32Å; L431-N435 PolarHBondContact O-OD1 2.9Å
432	Y	97.8	Very high	95.6	Very high	21 Å²	21	76 Å²	76	8%	0.082	37%	0.366	C	S	.	.	H	α-helix	trans	-60.7	-51.4	176.1	173.8	-104.5	0	0	0	111.8	T428 M429 H434 N435 L436 D545 F546 I552 R555	T428-Y432 WeakPolarHBondContact O-CB 3.42Å; T428-Y432 PolarHBondContact O-N 3.4Å; M429-Y432 HydrophobicContact CE-CD1 4.02Å; M429-Y432 HydrophobicContact CE-CE1 4.38Å; M429-Y432 PolarHBondContact O-N 3.45Å; M429-Y432 HydrophobicContact SD-CD1 3.79Å; Y432-H434 VanDerWaalsContact C-N 3.33Å; Y432-H434 PolarHBondContact O-N 3.24Å; Y432-N435 PolarHBondContact O-N 3.42Å; Y432-L436 HydrophobicContact CE1-CD2 4.07Å; Y432-L436 VanDerWaalsContact O-CB 3.3Å; Y432-L436 WeakPolarHBondContact O-CB 3.48Å; Y432-L436 PolarHBondContact O-N 3.27Å; Y432-D545 WeakPolarHBondContact CE2-O 3.28Å; Y432-D545 PolarHBondContact OH-O 2.73Å; Y432-F546 HydrophobicContact CD2-CD1 4.35Å; Y432-F546 AromaticContact CD2-CE1 3.56Å; Y432-F546 HydrophobicContact CD2-CE1 3.56Å; Y432-F546 HydrophobicContact CD2-CZ 4.07Å; Y432-F546 AromaticContact CE2-CD1 3.87Å; Y432-F546 HydrophobicContact CE2-CD1 3.87Å; Y432-F546 AromaticContact CE2-CE1 3.51Å; Y432-F546 HydrophobicContact CE2-CE1 3.51Å; Y432-F546 HydrophobicContact CE2-CZ 4.17Å; Y432-I552 WeakPolarHBondContact OH-CA 3.31Å; Y432-I552 WeakPolarHBondContact OH-CG1 3.39Å; Y432-R555 HydrophobicContact CD1-CB 4.3Å; Y432-R555 HydrophobicContact CD1-CG 4.31Å; Y432-R555 HydrophobicContact CE1-CB 3.89Å; Y432-R555 HydrophobicContact CE1-CG 3.84Å; Y432-R555 HydrophobicContact CE2-CG 4.38Å
433	V	96.9	Very high	96	Very high	42 Å²	42	73.5 Å²	73.5	26%	0.255	35%	0.354	S	S	.	.	H	α-helix	trans	-65.8	-35.1	179.9	174.1	0	0	0	0	111.8	M429 V437 F556	M429-V433 HydrophobicContact CE-CG2 3.97Å; M429-V433 HydrophobicContact CG-CG2 4.41Å; M429-V433 WeakPolarHBondContact O-CB 3.38Å; M429-V433 VanDerWaalsContact O-CG2 3.31Å; M429-V433 WeakPolarHBondContact O-CG2 3.4Å; M429-V433 PolarHBondContact O-N 2.8Å; M429-V433 HydrophobicContact SD-CG2 4.42Å; V433-V437 HydrophobicContact CG1-CG2 4.26Å; V433-V437 WeakPolarHBondContact O-CB 3.36Å; V433-V437 VanDerWaalsContact O-CG2 3.27Å; V433-V437 WeakPolarHBondContact O-CG2 3.46Å; V433-V437 PolarHBondContact O-N 2.89Å; V433-F556 HydrophobicContact CG2-CE1 4.15Å; V433-F556 HydrophobicContact CG2-CZ 3.9Å
434	H	97.1	Very high	96.3	Very high	105 Å²	105	70.4 Å²	70.4	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-53.7	173.8	-166.7	-75.8	0	0	0	111.2	I430 L431 Y432 L436 V437 E438	I430-H434 VanDerWaalsContact O-CB 3.3Å; I430-H434 WeakPolarHBondContact O-CB 3.37Å; I430-H434 PolarHBondContact O-N 3.29Å; L431-H434 PolarHBondContact O-N 2.92Å; Y432-H434 VanDerWaalsContact C-N 3.33Å; Y432-H434 PolarHBondContact O-N 3.24Å; H434-L436 VanDerWaalsContact C-N 3.32Å; H434-L436 PolarHBondContact O-N 3.12Å; H434-V437 PolarHBondContact O-N 3.28Å; H434-E438 IonicContact CE1-OE1 2.68Å; H434-E438 PolarHBondContact CE1-OE1 3.5Å; H434-E438 VanDerWaalsContact CE1-OE1 3.3Å; H434-E438 IonicContact CE1-OE2 2.84Å; H434-E438 PolarHBondContact CE1-OE2 3.14Å; H434-E438 VanDerWaalsContact ND1-CD 3.27Å; H434-E438 IonicContact ND1-OE1 2.82Å; H434-E438 IonicContact ND1-OE2 3.58Å; H434-E438 PolarHBondContact ND1-OE2 2.71Å; H434-E438 WeakPolarHBondContact O-CG 3.35Å; H434-E438 PolarHBondContact O-N 3.31Å
435	N	97.2	Very high	96.6	Very high	77 Å²	77	69.1 Å²	69.1	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-39.6	179.9	-64.3	-4.7	0	0	0	111.9	L431 Y432 C439 F546	L431-N435 WeakPolarHBondContact O-CB 3.46Å; L431-N435 PolarHBondContact O-N 3.32Å; L431-N435 PolarHBondContact O-OD1 2.9Å; Y432-N435 PolarHBondContact O-N 3.42Å; N435-C439 VanDerWaalsContact O-CB 3.26Å; N435-C439 WeakPolarHBondContact O-CB 3.03Å; N435-C439 PolarHBondContact O-N 3.45Å; N435-F546 HydrophobicContact CB-CE1 3.8Å; N435-F546 HydrophobicContact CB-CZ 4.08Å
436	L	97.9	Very high	96.7	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-48.4	175.5	179.6	62.9	0	0	0	111.5	Y432 H434 C439 L440 F546 I552 L579	Y432-L436 HydrophobicContact CE1-CD2 4.07Å; Y432-L436 VanDerWaalsContact O-CB 3.3Å; Y432-L436 WeakPolarHBondContact O-CB 3.48Å; Y432-L436 PolarHBondContact O-N 3.27Å; H434-L436 VanDerWaalsContact C-N 3.32Å; H434-L436 PolarHBondContact O-N 3.12Å; L436-C439 PolarHBondContact O-N 3.33Å; L436-L440 HydrophobicContact CD1-CD1 3.81Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CG-CD1 4.05Å; L436-L440 WeakPolarHBondContact O-CB 3.12Å; L436-L440 VanDerWaalsContact O-CG 3.26Å; L436-L440 WeakPolarHBondContact O-CG 3.47Å; L436-L440 PolarHBondContact O-N 3.33Å; L436-F546 HydrophobicContact CB-CD1 3.86Å; L436-F546 HydrophobicContact CB-CE1 4.34Å; L436-F546 HydrophobicContact CD1-CB 4.09Å; L436-F546 HydrophobicContact CD1-CD1 4.03Å; L436-F546 WeakPolarHBondContact CD1-O 3.23Å; L436-I552 HydrophobicContact CD1-CD1 3.97Å; L436-I552 HydrophobicContact CD1-CG1 4.16Å; L436-I552 HydrophobicContact CD2-CG1 4.49Å; L436-I552 HydrophobicContact CD2-CG2 3.88Å; L436-L579 HydrophobicContact CD2-CD1 3.9Å; L436-L579 HydrophobicContact CD2-CD2 3.83Å; L436-L579 HydrophobicContact CD2-CG 4.09Å; L436-L579 HydrophobicContact CG-CD1 4.16Å
437	V	97.1	Very high	96.8	Very high	72 Å²	72	68.8 Å²	68.8	44%	0.436	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-40	179.7	170.6	0	0	0	0	111.4	V433 H434 Q441 L579	V433-V437 HydrophobicContact CG1-CG2 4.26Å; V433-V437 WeakPolarHBondContact O-CB 3.36Å; V433-V437 VanDerWaalsContact O-CG2 3.27Å; V433-V437 WeakPolarHBondContact O-CG2 3.46Å; V433-V437 PolarHBondContact O-N 2.89Å; H434-V437 PolarHBondContact O-N 3.28Å; V437-Q441 WeakPolarHBondContact O-CB 3.34Å; V437-Q441 PolarHBondContact O-N 3.16Å; V437-L579 HydrophobicContact CG2-CD1 3.95Å
438	E	96.8	Very high	96.9	Very high	112 Å²	112	64.5 Å²	64.5	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-47.8	174.6	-74.8	-177.8	129.2	0	0	111.8	H434 Q441 E442	H434-E438 IonicContact CE1-OE1 2.68Å; H434-E438 PolarHBondContact CE1-OE1 3.5Å; H434-E438 VanDerWaalsContact CE1-OE1 3.3Å; H434-E438 IonicContact CE1-OE2 2.84Å; H434-E438 PolarHBondContact CE1-OE2 3.14Å; H434-E438 VanDerWaalsContact ND1-CD 3.27Å; H434-E438 IonicContact ND1-OE1 2.82Å; H434-E438 IonicContact ND1-OE2 3.58Å; H434-E438 PolarHBondContact ND1-OE2 2.71Å; H434-E438 WeakPolarHBondContact O-CG 3.35Å; H434-E438 PolarHBondContact O-N 3.31Å; E438-Q441 PolarHBondContact O-N 2.99Å; E438-E442 PolarHBondContact O-N 2.88Å; E438-E442 VanDerWaalsContact O-N 3.08Å
439	C	97.3	Very high	97	Very high	26 Å²	26	62.6 Å²	62.6	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-50.5	177	-179.8	0	0	0	0	111.7	N435 L436 Q441 E442 K443	N435-C439 VanDerWaalsContact O-CB 3.26Å; N435-C439 WeakPolarHBondContact O-CB 3.03Å; N435-C439 PolarHBondContact O-N 3.45Å; L436-C439 PolarHBondContact O-N 3.33Å; C439-Q441 VanDerWaalsContact C-N 3.29Å; C439-Q441 PolarHBondContact O-N 3.45Å; C439-E442 PolarHBondContact O-N 2.61Å; C439-K443 WeakPolarHBondContact O-CG 3.35Å; C439-K443 PolarHBondContact O-N 2.85Å
440	L	97.6	Very high	97	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-29	179.5	-65.9	179.7	0	0	0	112.7	L436 I444 F539 L579 P582 I583	L436-L440 HydrophobicContact CD1-CD1 3.81Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CG-CD1 4.05Å; L436-L440 WeakPolarHBondContact O-CB 3.12Å; L436-L440 VanDerWaalsContact O-CG 3.26Å; L436-L440 WeakPolarHBondContact O-CG 3.47Å; L436-L440 PolarHBondContact O-N 3.33Å; L440-I444 VanDerWaalsContact O-CB 3.23Å; L440-I444 WeakPolarHBondContact O-CB 3.39Å; L440-I444 VanDerWaalsContact O-CG2 3.23Å; L440-I444 WeakPolarHBondContact O-CG2 3.25Å; L440-I444 PolarHBondContact O-N 3.14Å; L440-F539 HydrophobicContact CD2-CE1 4.09Å; L440-F539 HydrophobicContact CD2-CZ 4.23Å; L440-L579 HydrophobicContact CD1-CD1 4.24Å; L440-L579 WeakPolarHBondContact CD1-O 3.29Å; L440-P582 HydrophobicContact CB-CG 4.3Å; L440-P582 HydrophobicContact CD2-CB 4.33Å; L440-I583 HydrophobicContact CD1-CD1 4.37Å; L440-I583 HydrophobicContact CD2-CD1 3.99Å; L440-I583 HydrophobicContact CD2-CG1 3.72Å
441	Q	96.6	Very high	97.1	Very high	126 Å²	126	58.4 Å²	58.4	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-74	-23.9	176.1	-175.7	56.7	86.4	0	0	113.1	V437 E438 C439 I444	V437-Q441 WeakPolarHBondContact O-CB 3.34Å; V437-Q441 PolarHBondContact O-N 3.16Å; E438-Q441 PolarHBondContact O-N 2.99Å; C439-Q441 VanDerWaalsContact C-N 3.29Å; C439-Q441 PolarHBondContact O-N 3.45Å; Q441-I444 WeakPolarHBondContact O-CG2 3.17Å
442	E	95.8	Very high	97	Very high	130 Å²	130	58.5 Å²	58.5	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-77.4	-55.7	166.4	-174.3	164	-163	0	0	110.5	E438 C439 I444 I445	E438-E442 PolarHBondContact O-N 2.88Å; E438-E442 VanDerWaalsContact O-N 3.08Å; C439-E442 PolarHBondContact O-N 2.61Å; E442-I444 VanDerWaalsContact C-N 3.32Å; E442-I444 PolarHBondContact O-N 3.17Å; E442-I445 WeakPolarHBondContact O-CB 3.44Å; E442-I445 PolarHBondContact O-N 2.66Å
443	K	96.6	Very high	97	Very high	11 Å²	11	61 Å²	61	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-27.2	-173.8	-61	-52.7	-175.8	165.3	0	114.7	C439 I445 E446 I447 V538 F539 D541 V542	C439-K443 WeakPolarHBondContact O-CG 3.35Å; C439-K443 PolarHBondContact O-N 2.85Å; K443-I445 PolarHBondContact O-N 3.3Å; K443-E446 WeakPolarHBondContact CD-OE1 3.38Å; K443-E446 IonicContact NZ-OE1 3.56Å; K443-E446 PolarHBondContact NZ-OE1 3.35Å; K443-E446 PolarHBondContact O-N 3.27Å; K443-E446 VanDerWaalsContact O-N 3.14Å; K443-I447 WeakPolarHBondContact O-CD1 3.31Å; K443-I447 WeakPolarHBondContact O-CG1 3.47Å; K443-I447 PolarHBondContact O-N 3.03Å; K443-V538 HydrophobicContact CB-CG1 4.24Å; K443-V538 HydrophobicContact CD-CG1 4.19Å; K443-V538 VanDerWaalsContact CD-O 3.25Å; K443-V538 WeakPolarHBondContact CD-O 3.46Å; K443-V538 WeakPolarHBondContact CE-O 3.19Å; K443-V538 PolarHBondContact NZ-O 2.8Å; K443-F539 HydrophobicContact CB-CE1 3.96Å; K443-F539 HydrophobicContact CB-CZ 4.1Å; K443-F539 HydrophobicContact CG-CD1 4.26Å; K443-F539 HydrophobicContact CG-CE1 3.93Å; K443-D541 WeakPolarHBondContact CE-OD1 3.44Å; K443-D541 IonicContact NZ-OD1 2.81Å; K443-D541 PolarHBondContact NZ-OD1 3.43Å; K443-D541 IonicContact NZ-OD2 3.92Å; K443-D541 PolarHBondContact NZ-OD2 2.81Å; K443-V542 HydrophobicContact CG-CG2 4.49Å
444	I	96.7	Very high	96.9	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-24.5	173.7	-168.4	51.9	0	0	0	112.9	L440 Q441 E442 I447 N448 P582	L440-I444 VanDerWaalsContact O-CB 3.23Å; L440-I444 WeakPolarHBondContact O-CB 3.39Å; L440-I444 VanDerWaalsContact O-CG2 3.23Å; L440-I444 WeakPolarHBondContact O-CG2 3.25Å; L440-I444 PolarHBondContact O-N 3.14Å; Q441-I444 WeakPolarHBondContact O-CG2 3.17Å; E442-I444 VanDerWaalsContact C-N 3.32Å; E442-I444 PolarHBondContact O-N 3.17Å; I444-I447 HydrophobicContact CD1-CB 4.3Å; I444-I447 HydrophobicContact CD1-CG2 4.37Å; I444-N448 VanDerWaalsContact O-CB 3.28Å; I444-N448 WeakPolarHBondContact O-CB 3.36Å; I444-N448 PolarHBondContact O-N 3.13Å; I444-N448 PolarHBondContact O-ND2 3.26Å; I444-P582 HydrophobicContact CB-CB 4.4Å; I444-P582 HydrophobicContact CB-CG 4.42Å; I444-P582 HydrophobicContact CD1-CB 3.95Å; I444-P582 HydrophobicContact CD1-CG 4.17Å; I444-P582 HydrophobicContact CG1-CG 4.44Å
445	I	96.8	Very high	96.8	Very high	114 Å²	114	56 Å²	56	59%	0.585	29%	0.29	S	S	*	.	H	α-helix	trans	-70.3	-42.7	176.4	-55.4	175.7	0	0	0	110.2	E442 K443 A449	E442-I445 WeakPolarHBondContact O-CB 3.44Å; E442-I445 PolarHBondContact O-N 2.66Å; K443-I445 PolarHBondContact O-N 3.3Å; I445-A449 PolarHBondContact O-N 3.02Å
446	E	97.1	Very high	96.7	Very high	75 Å²	75	55.3 Å²	55.3	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-45.2	174	-57.6	-174.9	-126.2	0	0	111.2	K443 A449 L450 V538	K443-E446 WeakPolarHBondContact CD-OE1 3.38Å; K443-E446 IonicContact NZ-OE1 3.56Å; K443-E446 PolarHBondContact NZ-OE1 3.35Å; K443-E446 PolarHBondContact O-N 3.27Å; K443-E446 VanDerWaalsContact O-N 3.14Å; E446-A449 PolarHBondContact O-N 3.27Å; E446-L450 WeakPolarHBondContact O-CG 3.41Å; E446-L450 PolarHBondContact O-N 3.27Å; E446-V538 HydrophobicContact CB-CG1 4.13Å; E446-V538 HydrophobicContact CB-CG2 4.23Å
447	I	97.5	Very high	96.6	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-45.2	179.7	-63.5	160	0	0	0	111.1	K443 I444 A449 L450 E451 V538 F539 P582 R585 H586	K443-I447 WeakPolarHBondContact O-CD1 3.31Å; K443-I447 WeakPolarHBondContact O-CG1 3.47Å; K443-I447 PolarHBondContact O-N 3.03Å; I444-I447 HydrophobicContact CD1-CB 4.3Å; I444-I447 HydrophobicContact CD1-CG2 4.37Å; I447-A449 VanDerWaalsContact C-N 3.26Å; I447-A449 PolarHBondContact O-N 3.32Å; I447-L450 PolarHBondContact O-N 3.37Å; I447-E451 WeakPolarHBondContact O-CB 3.5Å; I447-E451 PolarHBondContact O-N 2.89Å; I447-V538 HydrophobicContact CD1-CG1 4.48Å; I447-V538 HydrophobicContact CG1-CG1 4.08Å; I447-F539 HydrophobicContact CD1-CE2 4.03Å; I447-F539 HydrophobicContact CD1-CZ 4.04Å; I447-P582 HydrophobicContact CD1-CB 4.15Å; I447-R585 HydrophobicContact CG2-CB 4.33Å; I447-H586 HydrophobicContact CD1-CB 3.99Å; I447-H586 HydrophobicContact CG1-CB 4.18Å
448	N	97.3	Very high	96.4	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-36.8	175.3	-74.9	-31.8	0	0	0	112.2	I444 L452 R585	I444-N448 VanDerWaalsContact O-CB 3.28Å; I444-N448 WeakPolarHBondContact O-CB 3.36Å; I444-N448 PolarHBondContact O-N 3.13Å; I444-N448 PolarHBondContact O-ND2 3.26Å; N448-L452 VanDerWaalsContact O-CB 3.29Å; N448-L452 WeakPolarHBondContact O-CB 3.37Å; N448-L452 PolarHBondContact O-N 3.14Å; N448-R585 PolarHBondContact OD1-NH2 2.68Å
449	A	97.7	Very high	96.3	Very high	56 Å²	56	49.7 Å²	49.7	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-44.3	178.7	0	0	0	0	0	112	I445 E446 I447 L452 E453	I445-A449 PolarHBondContact O-N 3.02Å; E446-A449 PolarHBondContact O-N 3.27Å; I447-A449 VanDerWaalsContact C-N 3.26Å; I447-A449 PolarHBondContact O-N 3.32Å; A449-L452 PolarHBondContact O-N 2.03Å; A449-E453 WeakPolarHBondContact O-CB 3.47Å; A449-E453 PolarHBondContact O-N 2.84Å
450	L	97.4	Very high	96.1	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-37.8	177.5	-67.8	167.1	0	0	0	112.5	E446 I447 M454 I531 R534 A535 V538 L589	E446-L450 WeakPolarHBondContact O-CG 3.41Å; E446-L450 PolarHBondContact O-N 3.27Å; I447-L450 PolarHBondContact O-N 3.37Å; L450-M454 WeakPolarHBondContact O-CB 3.25Å; L450-M454 PolarHBondContact O-N 3.27Å; L450-I531 HydrophobicContact CD2-CG2 4.21Å; L450-R534 HydrophobicContact CD2-CB 3.94Å; L450-A535 HydrophobicContact CD1-CB 4.13Å; L450-V538 HydrophobicContact CD1-CG2 3.58Å; L450-L589 HydrophobicContact CB-CD2 4.07Å
451	E	96.1	Very high	95.8	Very high	31 Å²	31	54.8 Å²	54.8	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-45	171.4	-82.8	-172.3	-167.4	0	0	111.9	I447 E453 M454 H455 R585 L589	I447-E451 WeakPolarHBondContact O-CB 3.5Å; I447-E451 PolarHBondContact O-N 2.89Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 2.93Å; E451-M454 PolarHBondContact O-N 2.85Å; E451-H455 WeakPolarHBondContact O-CB 3.36Å; E451-H455 VanDerWaalsContact O-CG 3.26Å; E451-H455 PolarHBondContact O-N 3.39Å; E451-H455 PolarHBondContact O-ND1 2.82Å; E451-R585 VanDerWaalsContact CD-NH2 3.31Å; E451-R585 VanDerWaalsContact OE1-CB 3.3Å; E451-R585 WeakPolarHBondContact OE1-CB 3.39Å; E451-R585 IonicContact OE1-CZ 3.49Å; E451-R585 IonicContact OE1-NE 2.96Å; E451-R585 PolarHBondContact OE1-NE 3.13Å; E451-R585 IonicContact OE1-NH2 2.63Å; E451-R585 PolarHBondContact OE1-NH2 2.96Å; E451-R585 IonicContact OE2-CZ 2.73Å; E451-R585 IonicContact OE2-NE 3.83Å; E451-R585 PolarHBondContact OE2-NE 3.36Å; E451-R585 IonicContact OE2-NH2 2.66Å; E451-R585 PolarHBondContact OE2-NH2 3.22Å; E451-L589 HydrophobicContact CB-CD1 4.24Å; E451-L589 HydrophobicContact CG-CD1 3.57Å
452	L	96.3	Very high	95.5	Very high	113 Å²	113	49.4 Å²	49.4	59%	0.592	26%	0.259	S	S	*	.	H	α-helix	trans	-60.3	-46.7	178	177.4	61.5	0	0	0	110.5	N448 A449 H455 T456	N448-L452 VanDerWaalsContact O-CB 3.29Å; N448-L452 WeakPolarHBondContact O-CB 3.37Å; N448-L452 PolarHBondContact O-N 3.14Å; A449-L452 PolarHBondContact O-N 2.03Å; L452-H455 PolarHBondContact O-N 3.05Å; L452-T456 HydrophobicContact CD1-CG2 4.21Å; L452-T456 WeakPolarHBondContact O-CG2 3.24Å; L452-T456 PolarHBondContact O-N 3.17Å; L452-T456 PolarHBondContact O-OG1 3.29Å
453	E	96.5	Very high	95.3	Very high	73 Å²	73	48.8 Å²	48.8	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-47.4	178.2	-169.5	176.3	174.1	0	0	111.8	A449 E451 T456 L457 I531 R534	A449-E453 WeakPolarHBondContact O-CB 3.47Å; A449-E453 PolarHBondContact O-N 2.84Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 2.93Å; E453-T456 WeakPolarHBondContact CA-OG1 3.09Å; E453-T456 PolarHBondContact O-N 3.26Å; E453-T456 PolarHBondContact O-OG1 2.82Å; E453-L457 WeakPolarHBondContact O-CB 3.48Å; E453-L457 PolarHBondContact O-N 2.69Å; E453-I531 HydrophobicContact CG-CD1 4.04Å; E453-I531 HydrophobicContact CG-CG1 4.39Å; E453-R534 IonicContact OE1-CZ 2.73Å; E453-R534 IonicContact OE1-NH1 2.74Å; E453-R534 PolarHBondContact OE1-NH1 2.88Å; E453-R534 IonicContact OE1-NH2 3.37Å; E453-R534 PolarHBondContact OE1-NH2 3.08Å; E453-R534 IonicContact OE2-CZ 3.19Å; E453-R534 IonicContact OE2-NH1 3.68Å; E453-R534 PolarHBondContact OE2-NH1 3.37Å; E453-R534 IonicContact OE2-NH2 3.5Å; E453-R534 PolarHBondContact OE2-NH2 2.96Å
454	M	95.4	Very high	95.1	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.9	-177.4	57	76.1	0	0	112.3	L450 E451 L457 L458 I528 I531 M590	L450-M454 WeakPolarHBondContact O-CB 3.25Å; L450-M454 PolarHBondContact O-N 3.27Å; E451-M454 PolarHBondContact O-N 2.85Å; M454-L457 PolarHBondContact O-N 3.18Å; M454-L458 HydrophobicContact CG-CD1 4.08Å; M454-L458 WeakPolarHBondContact O-CG 3.38Å; M454-L458 PolarHBondContact O-N 2.82Å; M454-L458 HydrophobicContact SD-CD1 3.92Å; M454-L458 HydrophobicContact SD-CG 4.1Å; M454-I528 HydrophobicContact CE-CB 4.28Å; M454-I528 HydrophobicContact CE-CG1 3.98Å; M454-I528 HydrophobicContact CE-CG2 4.02Å; M454-I528 HydrophobicContact SD-CG1 4.1Å; M454-I531 HydrophobicContact CE-CB 4.08Å; M454-I531 HydrophobicContact CE-CD1 3.95Å; M454-I531 HydrophobicContact CE-CG2 3.89Å; M454-I531 HydrophobicContact SD-CD1 4.48Å; M454-M590 HydrophobicContact CE-CE 3.54Å
455	H	94.4	Very high	94.7	Very high	31 Å²	31	51 Å²	51	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-40.7	176.9	-69.5	129.7	0	0	0	111.8	E451 L452 L458 S459 S644 H645 L648	E451-H455 WeakPolarHBondContact O-CB 3.36Å; E451-H455 VanDerWaalsContact O-CG 3.26Å; E451-H455 PolarHBondContact O-N 3.39Å; E451-H455 PolarHBondContact O-ND1 2.82Å; L452-H455 PolarHBondContact O-N 3.05Å; H455-L458 PolarHBondContact O-N 3.37Å; H455-S459 VanDerWaalsContact O-CB 3.3Å; H455-S459 WeakPolarHBondContact O-CB 3.31Å; H455-S459 PolarHBondContact O-N 2.83Å; H455-S644 PolarHBondContact CD2-OG 3.06Å; H455-S644 PolarHBondContact NE2-OG 3.13Å; H455-H645 AromaticContact NE2-CE1 3.99Å; H455-L648 HydrophobicContact CB-CD1 4.07Å
456	T	95.9	Very high	94.3	Very high	62 Å²	62	46.5 Å²	46.5	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-43.4	175.1	49	0	0	0	0	112.3	L452 E453 L458 S459 D460	L452-T456 HydrophobicContact CD1-CG2 4.21Å; L452-T456 WeakPolarHBondContact O-CG2 3.24Å; L452-T456 PolarHBondContact O-N 3.17Å; L452-T456 PolarHBondContact O-OG1 3.29Å; E453-T456 WeakPolarHBondContact CA-OG1 3.09Å; E453-T456 PolarHBondContact O-N 3.26Å; E453-T456 PolarHBondContact O-OG1 2.82Å; T456-L458 VanDerWaalsContact C-N 3.3Å; T456-L458 PolarHBondContact O-N 3.15Å; T456-S459 PolarHBondContact O-N 3.26Å; T456-D460 WeakPolarHBondContact O-CB 3.42Å; T456-D460 VanDerWaalsContact O-CG 3.29Å; T456-D460 PolarHBondContact O-N 3.34Å
457	L	95.1	Very high	94	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-42.1	177.9	177.3	63.1	0	0	0	111.8	E453 M454 H461 L524 I528 I531	E453-L457 WeakPolarHBondContact O-CB 3.48Å; E453-L457 PolarHBondContact O-N 2.69Å; M454-L457 PolarHBondContact O-N 3.18Å; L457-H461 WeakPolarHBondContact O-CB 3.3Å; L457-H461 PolarHBondContact O-N 2.73Å; L457-L524 HydrophobicContact CD1-CD1 3.98Å; L457-L524 HydrophobicContact CD2-CD1 4.09Å; L457-L524 HydrophobicContact CG-CD1 3.76Å; L457-I528 HydrophobicContact CD2-CG1 3.98Å; L457-I531 HydrophobicContact CD2-CD1 3.8Å
458	L	93.3	Very high	93.6	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-75.9	-36.1	177.9	-64.6	173.2	0	0	0	112.8	M454 H455 T456 M462 L524 I528 V649	M454-L458 HydrophobicContact CG-CD1 4.08Å; M454-L458 WeakPolarHBondContact O-CG 3.38Å; M454-L458 PolarHBondContact O-N 2.82Å; M454-L458 HydrophobicContact SD-CD1 3.92Å; M454-L458 HydrophobicContact SD-CG 4.1Å; H455-L458 PolarHBondContact O-N 3.37Å; T456-L458 VanDerWaalsContact C-N 3.3Å; T456-L458 PolarHBondContact O-N 3.15Å; L458-M462 WeakPolarHBondContact O-CB 3.36Å; L458-M462 WeakPolarHBondContact O-CG 3.26Å; L458-M462 PolarHBondContact O-N 3.33Å; L458-L524 HydrophobicContact CD2-CD1 4.47Å; L458-I528 HydrophobicContact CD2-CD1 4.47Å; L458-V649 HydrophobicContact CB-CG1 4.22Å; L458-V649 HydrophobicContact CB-CG2 3.75Å; L458-V649 HydrophobicContact CD1-CG2 4.49Å
459	S	95.2	Very high	93.2	Very high	10 Å²	10	47 Å²	47	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-55.2	176.3	-158.7	0	0	0	0	111.2	H455 T456 H461 M462 E463	H455-S459 VanDerWaalsContact O-CB 3.3Å; H455-S459 WeakPolarHBondContact O-CB 3.31Å; H455-S459 PolarHBondContact O-N 2.83Å; T456-S459 PolarHBondContact O-N 3.26Å; S459-H461 PolarHBondContact O-N 3.42Å; S459-H461 VanDerWaalsContact O-N 3.17Å; S459-M462 PolarHBondContact O-N 3.06Å; S459-E463 WeakPolarHBondContact O-CB 3.46Å; S459-E463 WeakPolarHBondContact O-CG 3.46Å; S459-E463 PolarHBondContact O-N 3.45Å; S459-E463 PolarHBondContact OG-OE1 3.49Å
460	D	93.6	Very high	92.9	Very high	107 Å²	107	49.4 Å²	49.4	57%	0.572	26%	0.26	S	S	*	.	H	α-helix	trans	-54.2	-40.5	179.9	-73	5.6	0	0	0	111.2	T456 A464	T456-D460 WeakPolarHBondContact O-CB 3.42Å; T456-D460 VanDerWaalsContact O-CG 3.29Å; T456-D460 PolarHBondContact O-N 3.34Å; D460-A464 WeakPolarHBondContact O-CB 3.43Å; D460-A464 PolarHBondContact O-N 2.87Å
461	H	90.3	Very high	92.6	Very high	35 Å²	35	54.5 Å²	54.5	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-46.3	177.4	179.4	94	0	0	0	112.8	L457 S459 A464 L465 L516	L457-H461 WeakPolarHBondContact O-CB 3.3Å; L457-H461 PolarHBondContact O-N 2.73Å; S459-H461 PolarHBondContact O-N 3.42Å; S459-H461 VanDerWaalsContact O-N 3.17Å; H461-A464 PolarHBondContact O-N 3.42Å; H461-L465 PolarHBondContact O-N 2.68Å; H461-L516 WeakPolarHBondContact CE1-CD2 3.35Å; H461-L516 WeakPolarHBondContact NE2-CD1 3.4Å
462	M	91.2	Very high	92.4	Very high	13 Å²	13	59.4 Å²	59.4	6%	0.064	30%	0.299	C	S	.	.	H	α-helix	trans	-72.2	-35	179.4	-72.9	-57.7	-47.7	0	0	112.5	L458 S459 L465 L466 V649 D651	L458-M462 WeakPolarHBondContact O-CB 3.36Å; L458-M462 WeakPolarHBondContact O-CG 3.26Å; L458-M462 PolarHBondContact O-N 3.33Å; S459-M462 PolarHBondContact O-N 3.06Å; M462-L465 HydrophobicContact CE-CD1 4.3Å; M462-L465 PolarHBondContact O-N 3.46Å; M462-L465 HydrophobicContact SD-CD1 3.84Å; M462-L466 WeakPolarHBondContact O-CB 3.24Å; M462-L466 VanDerWaalsContact O-CG 3.29Å; M462-L466 WeakPolarHBondContact O-CG 3.3Å; M462-L466 PolarHBondContact O-N 2.89Å; M462-V649 WeakPolarHBondContact CE-O 3.28Å; M462-V649 HydrophobicContact CG-CB 4.48Å; M462-V649 HydrophobicContact CG-CG1 3.79Å; M462-V649 WeakPolarHBondContact CG-O 3.29Å; M462-D651 HydrophobicContact CE-CB 3.97Å
463	E	91.9	Very high	92.1	Very high	117 Å²	117	55.7 Å²	55.7	55%	0.547	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-42.3	169.7	-74.8	179	-130.6	0	0	111.2	S459 L466 A467	S459-E463 WeakPolarHBondContact O-CB 3.46Å; S459-E463 WeakPolarHBondContact O-CG 3.46Å; S459-E463 PolarHBondContact O-N 3.45Å; S459-E463 PolarHBondContact OG-OE1 3.49Å; E463-L466 PolarHBondContact O-N 3.4Å; E463-A467 WeakPolarHBondContact O-CB 3.5Å; E463-A467 PolarHBondContact O-N 3.48Å
464	A	90.6	Very high	91.9	Very high	60 Å²	60	58.5 Å²	58.5	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-44.1	174.6	0	0	0	0	0	112.4	D460 H461 A467 Q468	D460-A464 WeakPolarHBondContact O-CB 3.43Å; D460-A464 PolarHBondContact O-N 2.87Å; H461-A464 PolarHBondContact O-N 3.42Å; A464-A467 PolarHBondContact O-N 2.87Å; A464-Q468 VanDerWaalsContact O-CB 3.27Å; A464-Q468 WeakPolarHBondContact O-CB 3.35Å; A464-Q468 PolarHBondContact O-N 3.28Å
465	L	88.6	Confident	91.8	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-44.9	175.1	-84.9	173.8	0	0	0	112.7	H461 M462 Q468 R469 L516	H461-L465 PolarHBondContact O-N 2.68Å; M462-L465 HydrophobicContact CE-CD1 4.3Å; M462-L465 PolarHBondContact O-N 3.46Å; M462-L465 HydrophobicContact SD-CD1 3.84Å; L465-Q468 PolarHBondContact O-N 2.89Å; L465-R469 WeakPolarHBondContact O-CB 3.36Å; L465-R469 PolarHBondContact O-N 3.28Å; L465-L516 HydrophobicContact CD1-CD2 4.02Å; L465-L516 HydrophobicContact CD1-CG 4.25Å; L465-L516 HydrophobicContact CD2-CD2 3.7Å; L465-L516 HydrophobicContact CD2-CG 4.21Å; L465-L516 HydrophobicContact CG-CD2 4Å
466	L	89.2	Confident	91.6	Very high	19 Å²	19	64.2 Å²	64.2	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-41.9	178.2	-70.9	170.4	0	0	0	111.3	M462 E463 Q468 R469 R470	M462-L466 WeakPolarHBondContact O-CB 3.24Å; M462-L466 VanDerWaalsContact O-CG 3.29Å; M462-L466 WeakPolarHBondContact O-CG 3.3Å; M462-L466 PolarHBondContact O-N 2.89Å; E463-L466 PolarHBondContact O-N 3.4Å; L466-Q468 PolarHBondContact O-N 3.49Å; L466-R469 WeakPolarHBondContact O-CB 3.38Å; L466-R469 PolarHBondContact O-N 2.95Å; L466-R470 WeakPolarHBondContact O-CB 3.42Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.33Å; L466-R470 PolarHBondContact O-N 3.21Å
467	A	90.8	Very high	91.4	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-41.7	174	0	0	0	0	0	112	E463 A464 R469 K471	E463-A467 WeakPolarHBondContact O-CB 3.5Å; E463-A467 PolarHBondContact O-N 3.48Å; A464-A467 PolarHBondContact O-N 2.87Å; A467-R469 VanDerWaalsContact C-N 3.34Å; A467-R469 PolarHBondContact O-N 2.94Å; A467-K471 WeakPolarHBondContact O-CB 3.22Å; A467-K471 PolarHBondContact O-N 2.69Å
468	Q	89.4	Confident	91.2	Very high	76 Å²	76	63 Å²	63	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-35.8	176	-164.5	-148.6	69.2	0	0	111.8	A464 L465 L466 R472	A464-Q468 VanDerWaalsContact O-CB 3.27Å; A464-Q468 WeakPolarHBondContact O-CB 3.35Å; A464-Q468 PolarHBondContact O-N 3.28Å; L465-Q468 PolarHBondContact O-N 2.89Å; L466-Q468 PolarHBondContact O-N 3.49Å; Q468-R472 WeakPolarHBondContact O-CB 3.03Å; Q468-R472 WeakPolarHBondContact O-CG 3.48Å; Q468-R472 PolarHBondContact O-N 2.65Å
469	R	89.5	Confident	91.1	Very high	27 Å²	27	67.4 Å²	67.4	10%	0.102	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-54.6	173.6	-173.5	-170.9	-54.6	174.1	1.6	111.8	L465 L466 A467 K471 R472 I473 D651	L465-R469 WeakPolarHBondContact O-CB 3.36Å; L465-R469 PolarHBondContact O-N 3.28Å; L466-R469 WeakPolarHBondContact O-CB 3.38Å; L466-R469 PolarHBondContact O-N 2.95Å; A467-R469 VanDerWaalsContact C-N 3.34Å; A467-R469 PolarHBondContact O-N 2.94Å; R469-K471 PolarHBondContact O-N 2.99Å; R469-R472 PolarHBondContact O-N 3.26Å; R469-R472 VanDerWaalsContact O-N 3.16Å; R469-I473 HydrophobicContact CG-CD1 3.96Å; R469-I473 WeakPolarHBondContact O-CG1 3.3Å; R469-I473 PolarHBondContact O-N 3.2Å; R469-D651 IonicContact CZ-OD1 2.81Å; R469-D651 IonicContact CZ-OD2 2.7Å; R469-D651 VanDerWaalsContact CZ-OD2 3.29Å; R469-D651 VanDerWaalsContact NH1-CG 3.26Å; R469-D651 IonicContact NH1-OD1 3.5Å; R469-D651 PolarHBondContact NH1-OD1 2.94Å; R469-D651 IonicContact NH1-OD2 2.68Å; R469-D651 PolarHBondContact NH1-OD2 3.29Å; R469-D651 IonicContact NH2-OD1 2.85Å; R469-D651 IonicContact NH2-OD2 3.1Å; R469-D651 PolarHBondContact NH2-OD2 3Å
470	R	91	Very high	90.8	Very high	107 Å²	107	67 Å²	67	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-52.5	-43.7	175.5	-72.4	173	176	-155.5	-8.7	110.6	L466 K474 E700 D701	L466-R470 WeakPolarHBondContact O-CB 3.42Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.33Å; L466-R470 PolarHBondContact O-N 3.21Å; R470-K474 WeakPolarHBondContact O-CB 3.42Å; R470-K474 PolarHBondContact O-N 3.06Å; R470-K474 VanDerWaalsContact O-N 3.09Å; R470-E700 IonicContact CZ-OE2 3.97Å; R470-E700 IonicContact NH1-OE2 3.29Å; R470-E700 PolarHBondContact NH1-OE2 2.94Å; R470-E700 IonicContact NH2-OE2 3.41Å; R470-E700 PolarHBondContact NH2-OE2 2.68Å; R470-D701 IonicContact CZ-OD1 2.71Å; R470-D701 VanDerWaalsContact CZ-OD1 3.3Å; R470-D701 IonicContact CZ-OD2 3.2Å; R470-D701 IonicContact NE-OD1 2.61Å; R470-D701 PolarHBondContact NE-OD1 2.94Å; R470-D701 IonicContact NE-OD2 3.78Å; R470-D701 IonicContact NH2-OD1 2.68Å; R470-D701 PolarHBondContact NH2-OD1 3.18Å; R470-D701 VanDerWaalsContact NH2-OD1 3.1Å; R470-D701 IonicContact NH2-OD2 2.68Å; R470-D701 PolarHBondContact NH2-OD2 3.38Å
471	K	91.6	Very high	90.5	Very high	120 Å²	120	66.5 Å²	66.5	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-51.9	175.6	-178.8	179	171.6	-176.9	0	112.6	A467 R469 I473 K474 E475	A467-K471 WeakPolarHBondContact O-CB 3.22Å; A467-K471 PolarHBondContact O-N 2.69Å; R469-K471 PolarHBondContact O-N 2.99Å; K471-I473 PolarHBondContact O-N 2.84Å; K471-K474 PolarHBondContact O-N 3.39Å; K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 WeakPolarHBondContact CE-OE2 3.35Å; K471-E475 HydrophobicContact CG-CG 4.26Å; K471-E475 IonicContact NZ-OE1 3.45Å; K471-E475 PolarHBondContact NZ-OE1 3.02Å; K471-E475 WeakPolarHBondContact O-CG 3.11Å; K471-E475 PolarHBondContact O-N 3.47Å
472	R	90.3	Very high	90.3	Very high	133 Å²	133	70.6 Å²	70.6	50%	0.502	34%	0.336	S	S	.	.	H	α-helix	trans	-58.7	-46.2	179.8	-80.7	-171.4	-79.7	160.9	-12.1	112.4	Q468 R469 K474 E475 E476	Q468-R472 WeakPolarHBondContact O-CB 3.03Å; Q468-R472 WeakPolarHBondContact O-CG 3.48Å; Q468-R472 PolarHBondContact O-N 2.65Å; R469-R472 PolarHBondContact O-N 3.26Å; R469-R472 VanDerWaalsContact O-N 3.16Å; R472-K474 VanDerWaalsContact C-N 3.3Å; R472-K474 PolarHBondContact O-N 2.93Å; R472-E475 PolarHBondContact O-N 3.12Å; R472-E476 WeakPolarHBondContact O-CB 3.4Å; R472-E476 PolarHBondContact O-N 2.94Å
473	I	91.1	Very high	89.9	Confident	35 Å²	35	73.5 Å²	73.5	18%	0.179	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-43	177.2	-66.7	169.5	0	0	0	110.3	R469 K471 A477 F703 F722	R469-I473 HydrophobicContact CG-CD1 3.96Å; R469-I473 WeakPolarHBondContact O-CG1 3.3Å; R469-I473 PolarHBondContact O-N 3.2Å; K471-I473 PolarHBondContact O-N 2.84Å; I473-A477 VanDerWaalsContact O-CB 3.29Å; I473-A477 WeakPolarHBondContact O-CB 3.46Å; I473-A477 PolarHBondContact O-N 3.05Å; I473-F703 HydrophobicContact CG2-CD1 3.74Å; I473-F703 HydrophobicContact CG2-CE1 4.4Å; I473-F722 HydrophobicContact CG2-CZ 4.05Å; I473-F722 WeakPolarHBondContact O-CZ 3.25Å
474	K	92.4	Very high	89.2	Confident	132 Å²	132	68.9 Å²	68.9	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-65.9	-50.4	176.7	-175.9	178.1	176.5	-177	0	112.8	R470 K471 R472 E476 A477 D478	R470-K474 WeakPolarHBondContact O-CB 3.42Å; R470-K474 PolarHBondContact O-N 3.06Å; R470-K474 VanDerWaalsContact O-N 3.09Å; K471-K474 PolarHBondContact O-N 3.39Å; R472-K474 VanDerWaalsContact C-N 3.3Å; R472-K474 PolarHBondContact O-N 2.93Å; K474-E476 PolarHBondContact O-N 2.96Å; K474-A477 PolarHBondContact O-N 2.91Å; K474-A477 VanDerWaalsContact O-N 3.15Å; K474-D478 WeakPolarHBondContact CE-OD2 3.27Å; K474-D478 WeakPolarHBondContact O-CB 3.5Å; K474-D478 VanDerWaalsContact O-CG 3.32Å; K474-D478 PolarHBondContact O-N 2.9Å
475	E	92.6	Very high	88.3	Confident	104 Å²	104	73.1 Å²	73.1	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-35.1	-178.6	-73.2	177.7	146.3	0	0	111.8	K471 R472 R479	K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 WeakPolarHBondContact CE-OE2 3.35Å; K471-E475 HydrophobicContact CG-CG 4.26Å; K471-E475 IonicContact NZ-OE1 3.45Å; K471-E475 PolarHBondContact NZ-OE1 3.02Å; K471-E475 WeakPolarHBondContact O-CG 3.11Å; K471-E475 PolarHBondContact O-N 3.47Å; R472-E475 PolarHBondContact O-N 3.12Å; E475-R479 VanDerWaalsContact O-CB 3.23Å; E475-R479 WeakPolarHBondContact O-CB 3.39Å; E475-R479 PolarHBondContact O-N 3.37Å; E475-R479 VanDerWaalsContact O-N 3.09Å
476	E	90.5	Very high	87.1	Confident	59 Å²	59	76.4 Å²	76.4	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-72.8	-42.2	173.1	-177.5	142.7	-127.7	0	0	113.1	R472 K474 R479 L480 F722	R472-E476 WeakPolarHBondContact O-CB 3.4Å; R472-E476 PolarHBondContact O-N 2.94Å; K474-E476 PolarHBondContact O-N 2.96Å; E476-R479 PolarHBondContact O-N 3.16Å; E476-R479 IonicContact OE1-CZ 3.91Å; E476-R479 IonicContact OE1-NH2 2.7Å; E476-R479 PolarHBondContact OE1-NH2 2.66Å; E476-L480 HydrophobicContact CG-CD1 3.65Å; E476-L480 HydrophobicContact CG-CG 4.22Å; E476-L480 WeakPolarHBondContact O-CB 3.49Å; E476-L480 VanDerWaalsContact O-CG 3.26Å; E476-L480 WeakPolarHBondContact O-CG 3.33Å; E476-L480 PolarHBondContact O-N 3.07Å; E476-F722 HydrophobicContact CB-CD2 4.34Å; E476-F722 HydrophobicContact CB-CE2 3.91Å; E476-F722 HydrophobicContact CB-CZ 4.16Å; E476-F722 HydrophobicContact CG-CD1 4.38Å; E476-F722 HydrophobicContact CG-CD2 3.61Å; E476-F722 HydrophobicContact CG-CE1 4.45Å; E476-F722 HydrophobicContact CG-CE2 3.7Å; E476-F722 HydrophobicContact CG-CG 3.98Å; E476-F722 HydrophobicContact CG-CZ 4.13Å
477	A	91.1	Very high	85.5	Confident	10 Å²	10	79.5 Å²	79.5	8%	0.083	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-48.1	174.9	0	0	0	0	0	111.8	I473 K474 R479 L480 Q481 F703 F722	I473-A477 VanDerWaalsContact O-CB 3.29Å; I473-A477 WeakPolarHBondContact O-CB 3.46Å; I473-A477 PolarHBondContact O-N 3.05Å; K474-A477 PolarHBondContact O-N 2.91Å; K474-A477 VanDerWaalsContact O-N 3.15Å; A477-R479 PolarHBondContact O-N 3.39Å; A477-L480 PolarHBondContact O-N 3.39Å; A477-Q481 VanDerWaalsContact O-CB 3.3Å; A477-Q481 WeakPolarHBondContact O-CB 3.46Å; A477-Q481 PolarHBondContact O-N 3.44Å; A477-F703 HydrophobicContact CB-CE1 3.82Å; A477-F703 HydrophobicContact CB-CZ 4.01Å; A477-F722 HydrophobicContact CB-CE1 3.87Å; A477-F722 HydrophobicContact CB-CZ 4.16Å
478	D	91	Very high	83.6	Confident	68 Å²	68	84 Å²	84	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-45.4	177.8	-70.6	-17.6	0	0	0	110.6	K474 Q481 Q482	K474-D478 WeakPolarHBondContact CE-OD2 3.27Å; K474-D478 WeakPolarHBondContact O-CB 3.5Å; K474-D478 VanDerWaalsContact O-CG 3.32Å; K474-D478 PolarHBondContact O-N 2.9Å; D478-Q481 PolarHBondContact O-N 3.09Å; D478-Q482 WeakPolarHBondContact O-CG 3.5Å; D478-Q482 PolarHBondContact O-N 3.4Å
479	R	91.4	Very high	81.6	Confident	108 Å²	108	88.5 Å²	88.5	41%	0.408	41%	0.409	S	S	.	.	H	α-helix	trans	-59.7	-47.5	175.4	178.3	-179.4	75.8	141.7	-3.3	112.5	E475 E476 A477 Q481 Q482 L483	E475-R479 VanDerWaalsContact O-CB 3.23Å; E475-R479 WeakPolarHBondContact O-CB 3.39Å; E475-R479 PolarHBondContact O-N 3.37Å; E475-R479 VanDerWaalsContact O-N 3.09Å; E476-R479 PolarHBondContact O-N 3.16Å; E476-R479 IonicContact OE1-CZ 3.91Å; E476-R479 IonicContact OE1-NH2 2.7Å; E476-R479 PolarHBondContact OE1-NH2 2.66Å; A477-R479 PolarHBondContact O-N 3.39Å; R479-Q481 VanDerWaalsContact C-N 3.32Å; R479-Q482 PolarHBondContact O-N 3.43Å; R479-L483 HydrophobicContact CG-CD1 4.25Å; R479-L483 WeakPolarHBondContact O-CG 3.44Å; R479-L483 PolarHBondContact O-N 2.86Å; R479-L483 VanDerWaalsContact O-N 3.12Å
480	L	89.4	Confident	79.3	Confident	1 Å²	1	93.9 Å²	93.9	1%	0.005	44%	0.435	C	S	.	.	H	α-helix	trans	-72	-28.5	-178.4	-70.3	172	0	0	0	112.1	E476 A477 L483 S484 Y707 P718 Q719 F722	E476-L480 HydrophobicContact CG-CD1 3.65Å; E476-L480 HydrophobicContact CG-CG 4.22Å; E476-L480 WeakPolarHBondContact O-CB 3.49Å; E476-L480 VanDerWaalsContact O-CG 3.26Å; E476-L480 WeakPolarHBondContact O-CG 3.33Å; E476-L480 PolarHBondContact O-N 3.07Å; A477-L480 PolarHBondContact O-N 3.39Å; L480-L483 HydrophobicContact CD2-CD1 4.39Å; L480-S484 PolarHBondContact O-N 2.79Å; L480-S484 PolarHBondContact O-OG 3.16Å; L480-Y707 WeakPolarHBondContact CB-OH 3.38Å; L480-P718 HydrophobicContact CD2-CB 3.78Å; L480-P718 HydrophobicContact CD2-CG 3.91Å; L480-Q719 HydrophobicContact CB-CG 4.35Å; L480-Q719 HydrophobicContact CD2-CG 4.5Å; L480-Q719 PolarHBondContact O-NE2 3.45Å; L480-F722 HydrophobicContact CD1-CB 3.45Å; L480-F722 VanDerWaalsContact CD1-CB 3.45Å; L480-F722 HydrophobicContact CD1-CD1 3.53Å; L480-F722 HydrophobicContact CD1-CD2 4.5Å; L480-F722 HydrophobicContact CD1-CE1 4.39Å; L480-F722 HydrophobicContact CD1-CG 3.59Å
481	Q	86.6	Confident	76.8	Confident	96 Å²	96	96.2 Å²	96.2	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-44.4	171.5	-178.2	167.1	-1.6	0	0	111.5	A477 D478 R479 S484 Y485	A477-Q481 VanDerWaalsContact O-CB 3.3Å; A477-Q481 WeakPolarHBondContact O-CB 3.46Å; A477-Q481 PolarHBondContact O-N 3.44Å; D478-Q481 PolarHBondContact O-N 3.09Å; R479-Q481 VanDerWaalsContact C-N 3.32Å; Q481-S484 WeakPolarHBondContact O-CB 3.31Å; Q481-S484 PolarHBondContact O-N 2.56Å; Q481-S484 VanDerWaalsContact O-N 3.1Å; Q481-Y485 HydrophobicContact CG-CD2 4.21Å; Q481-Y485 HydrophobicContact CG-CE2 3.63Å; Q481-Y485 VanDerWaalsContact O-CD2 3.26Å; Q481-Y485 WeakPolarHBondContact O-CD2 3.4Å; Q481-Y485 PolarHBondContact O-N 2.92Å
482	Q	85.8	Confident	74.3	Confident	122 Å²	122	92.9 Å²	92.9	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-57.1	-52.3	174.3	-71.9	167.1	11.8	0	0	111.7	D478 R479 S484 Y485 D486	D478-Q482 WeakPolarHBondContact O-CG 3.5Å; D478-Q482 PolarHBondContact O-N 3.4Å; R479-Q482 PolarHBondContact O-N 3.43Å; Q482-S484 PolarHBondContact O-N 2.98Å; Q482-Y485 PolarHBondContact O-N 2.98Å; Q482-D486 PolarHBondContact O-N 3.13Å
483	L	82.4	Confident	71.9	Confident	74 Å²	74	92.4 Å²	92.4	39%	0.387	48%	0.479	S	S	.	.	H	α-helix	trans	-57.6	-24.6	176.3	-70.7	169.2	0	0	0	113.7	R479 L480 S487	R479-L483 HydrophobicContact CG-CD1 4.25Å; R479-L483 WeakPolarHBondContact O-CG 3.44Å; R479-L483 PolarHBondContact O-N 2.86Å; R479-L483 VanDerWaalsContact O-N 3.12Å; L480-L483 HydrophobicContact CD2-CD1 4.39Å; L483-S487 WeakPolarHBondContact O-CB 3.45Å; L483-S487 PolarHBondContact O-N 3.4Å; L483-S487 PolarHBondContact O-OG 3.43Å
484	S	77.8	Confident	69.3	Low	20 Å²	20	96 Å²	96	14%	0.14	51%	0.507	C	S	.	.	H	α-helix	trans	-77.9	-27.6	176.5	-56.4	0	0	0	0	113	L480 Q481 Q482 L711 Q719	L480-S484 PolarHBondContact O-N 2.79Å; L480-S484 PolarHBondContact O-OG 3.16Å; Q481-S484 WeakPolarHBondContact O-CB 3.31Å; Q481-S484 PolarHBondContact O-N 2.56Å; Q481-S484 VanDerWaalsContact O-N 3.1Å; Q482-S484 PolarHBondContact O-N 2.98Å; S484-L711 WeakPolarHBondContact OG-CD1 3.49Å; S484-Q719 PolarHBondContact OG-NE2 3.03Å; S484-Q719 VanDerWaalsContact OG-NE2 3.09Å
485	Y	72.1	Confident	67	Low	149 Å²	149	93.2 Å²	93.2	58%	0.584	52%	0.515	S	S	*	.	H	α-helix	trans	-83.6	-45.4	173.2	-68.1	-64.9	0	0	0	111.9	Q481 Q482 S487 E488	Q481-Y485 HydrophobicContact CG-CD2 4.21Å; Q481-Y485 HydrophobicContact CG-CE2 3.63Å; Q481-Y485 VanDerWaalsContact O-CD2 3.26Å; Q481-Y485 WeakPolarHBondContact O-CD2 3.4Å; Q481-Y485 PolarHBondContact O-N 2.92Å; Q482-Y485 PolarHBondContact O-N 2.98Å; Y485-S487 PolarHBondContact O-N 3.36Å; Y485-S487 VanDerWaalsContact O-N 3.11Å; Y485-E488 PolarHBondContact O-N 3.06Å
486	D	62.7	Low	64.4	Low	87 Å²	87	94.1 Å²	94.1	47%	0.465	53%	0.528	S	S	.	.	H	α-helix	trans	-57.6	-31.2	-179.6	-65.2	-34.1	0	0	0	112.4	Q482 E488 E489 Q490	Q482-D486 PolarHBondContact O-N 3.13Å; D486-E488 PolarHBondContact O-N 3.46Å; D486-E489 PolarHBondContact O-N 2.89Å; D486-Q490 PolarHBondContact O-N 2.91Å
487	S	56.8	Low	61.9	Low	84 Å²	84	99.4 Å²	99.4	59%	0.587	55%	0.553	S	S	*	*	H	α-helix	trans	-65.6	-19.2	176.3	-65.4	0	0	0	0	114.4	L483 Y485	L483-S487 WeakPolarHBondContact O-CB 3.45Å; L483-S487 PolarHBondContact O-N 3.4Å; L483-S487 PolarHBondContact O-OG 3.43Å; Y485-S487 PolarHBondContact O-N 3.36Å; Y485-S487 VanDerWaalsContact O-N 3.11Å
488	E	50.7	Low	59.3	Low	153 Å²	153	103.5 Å²	103.5	72%	0.715	58%	0.58	S	S	*	*	H	α-helix	trans	-91.5	-17.4	175.5	-61.5	-154.2	135.5	0	0	113	Y485 D486 K710	Y485-E488 PolarHBondContact O-N 3.06Å; D486-E488 PolarHBondContact O-N 3.46Å; E488-K710 IonicContact OE1-NZ 2.69Å
489	E	46.2	Very low	56.7	Low	170 Å²	170	108.7 Å²	108.7	79%	0.794	60%	0.602	S	S	*	*	H	α-helix	trans	-98.8	-27.6	179.6	-64.3	-156	159.7	0	0	114.9	D486	D486-E489 PolarHBondContact O-N 2.89Å
490	Q	41.4	Very low	53.9	Low	139 Å²	139	109.1 Å²	109.1	65%	0.65	62%	0.616	S	S	*	*			trans	-120.6	82.3	-170.4	-64.2	-170.2	31	0	0	115.5	D486 G492	D486-Q490 PolarHBondContact O-N 2.91Å; Q490-G492 PolarHBondContact O-N 3.31Å
491	T	39.8	Very low	51.4	Low	157 Å²	157	113.8 Å²	113.8	96%	0.963	66%	0.655	S	S	*	*			trans	-68.8	69.9	152.4	46.1	0	0	0	0	110.5
492	G	38.7	Very low	49	Very low	50 Å²	50	116.8 Å²	116.8	52%	0.515	66%	0.662	S	S	.	*	S	Bend	trans	-174.6	52.9	-166.4	0	0	0	0	0	118.7	Q490	Q490-G492 PolarHBondContact O-N 3.31Å
493	S	39.8	Very low	46.4	Very low	123 Å²	123	116 Å²	116	86%	0.86	66%	0.662	S	S	*	*			trans	58.4	95.1	155.1	175.7	0	0	0	0	118.8
494	S	35.5	Very low	44.4	Very low	110 Å²	110	115.5 Å²	115.5	77%	0.769	66%	0.663	S	S	*	*				-153	129.9	126.8	-160.5	0	0	0	0	111.8	V496	S494-V496 PolarHBondContact O-N 2.71Å
495	G	44.2	Very low	42.5	Very low	73 Å²	73	121.1 Å²	121.1	75%	0.753	69%	0.687	S	S	*	*			trans	-88.2	90.4	178.6	0	0	0	0	0	111.6	Q497	G495-Q497 PolarHBondContact O-N 2.93Å
496	V	37.5	Very low	40.9	Very low	124 Å²	124	120.9 Å²	120.9	75%	0.752	69%	0.691	S	S	*	*			trans	-73.9	106.7	173.2	-177.8	0	0	0	0	109.3	S494 C498	S494-V496 PolarHBondContact O-N 2.71Å; V496-C498 PolarHBondContact O-N 3.2Å
497	Q	38.2	Very low	39.8	Very low	169 Å²	169	120.5 Å²	120.5	79%	0.79	69%	0.689	S	S	*	*			trans	-70.8	106.5	173.7	-69.1	178.2	-15.9	0	0	109.9	G495 E499	G495-Q497 PolarHBondContact O-N 2.93Å; Q497-E499 PolarHBondContact O-N 3.26Å
498	C	36.2	Very low	39.4	Very low	97 Å²	97	121.6 Å²	121.6	66%	0.655	68%	0.684	S	S	*	*			trans	-80.1	92.4	162.1	-82.3	0	0	0	0	109.4	V496 V500	V496-C498 PolarHBondContact O-N 3.2Å; C498-V500 VanDerWaalsContact C-N 3.34Å; C498-V500 PolarHBondContact O-N 2.94Å
499	E	36.8	Very low	39.3	Very low	176 Å²	176	120.6 Å²	120.6	82%	0.822	68%	0.683	S	S	*	*			trans	-67.5	89.5	165	-67.6	-168.8	136.8	0	0	110.5	Q497	Q497-E499 PolarHBondContact O-N 3.26Å
500	V	33.6	Very low	39.8	Very low	118 Å²	118	116.3 Å²	116.3	72%	0.715	67%	0.666	S	S	*	*				-158.3	101.9	125.8	176.4	0	0	0	0	107.1	C498 R502	C498-V500 VanDerWaalsContact C-N 3.34Å; C498-V500 PolarHBondContact O-N 2.94Å; V500-R502 VanDerWaalsContact C-N 3.35Å; V500-R502 PolarHBondContact O-N 3.25Å; V500-R502 VanDerWaalsContact O-N 3.1Å
501	A	36.3	Very low	40.7	Very low	99 Å²	99	111.5 Å²	111.5	82%	0.818	65%	0.646	S	S	*	*			trans	-82.6	78.1	171.1	0	0	0	0	0	110.5
502	R	37.1	Very low	41.8	Very low	158 Å²	158	110.5 Å²	110.5	60%	0.596	63%	0.631	S	S	*	*			trans	-65.8	133.1	167.1	-135.2	178.3	-165.6	-136.3	7.8	108.6	V500 P504 D507	V500-R502 VanDerWaalsContact C-N 3.35Å; V500-R502 PolarHBondContact O-N 3.25Å; V500-R502 VanDerWaalsContact O-N 3.1Å; R502-P504 WeakPolarHBondContact O-CD 3.17Å; R502-D507 WeakPolarHBondContact CD-OD2 3.41Å; R502-D507 IonicContact CZ-OD2 2.68Å; R502-D507 IonicContact NE-OD2 3.46Å; R502-D507 VanDerWaalsContact NH1-CG 3.29Å; R502-D507 IonicContact NH1-OD1 3.69Å; R502-D507 PolarHBondContact NH1-OD1 2.86Å; R502-D507 VanDerWaalsContact NH1-OD1 3.13Å; R502-D507 IonicContact NH1-OD2 3.4Å; R502-D507 PolarHBondContact NH1-OD2 2.85Å
503	N	30.6	Very low	43.2	Very low	106 Å²	106	110.1 Å²	110.1	57%	0.567	62%	0.617	S	S	*	*			trans	-62.5	118.2	-174	-80	-17.3	0	0	0	111.4	E505 E506	N503-E505 PolarHBondContact O-N 2.79Å; N503-E506 PolarHBondContact ND2-OE2 3.3Å
504	P	40.6	Very low	44.4	Very low	64 Å²	64	106.3 Å²	106.3	42%	0.416	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	13	-170.7	32.5	-37.2	0	0	0	115	R502	R502-P504 WeakPolarHBondContact O-CD 3.17Å
505	E	37.7	Very low	45.8	Very low	137 Å²	137	107.8 Å²	107.8	64%	0.64	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	-11.1	-169.7	-47.8	-121.3	117.5	0	0	113	N503 R715	N503-E505 PolarHBondContact O-N 2.79Å; E505-R715 IonicContact OE1-CZ 3.49Å; E505-R715 IonicContact OE1-NH1 3.77Å; E505-R715 PolarHBondContact OE1-NH1 3.14Å; E505-R715 IonicContact OE1-NH2 2.65Å; E505-R715 PolarHBondContact OE1-NH2 2.9Å
506	E	38.8	Very low	46.7	Very low	144 Å²	144	106.6 Å²	106.6	67%	0.673	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-14	179.8	-64.7	177.7	126.4	0	0	113.6	N503 F508	N503-E506 PolarHBondContact ND2-OE2 3.3Å; E506-F508 PolarHBondContact O-N 3.17Å
507	D	39.6	Very low	48.4	Very low	80 Å²	80	103.3 Å²	103.3	43%	0.428	54%	0.544	S	S	.	.			trans	-89.5	65.7	-169.4	-137.5	-3.1	0	0	0	112.4	R502	R502-D507 WeakPolarHBondContact CD-OD2 3.41Å; R502-D507 IonicContact CZ-OD2 2.68Å; R502-D507 IonicContact NE-OD2 3.46Å; R502-D507 VanDerWaalsContact NH1-CG 3.29Å; R502-D507 IonicContact NH1-OD1 3.69Å; R502-D507 PolarHBondContact NH1-OD1 2.86Å; R502-D507 VanDerWaalsContact NH1-OD1 3.13Å; R502-D507 IonicContact NH1-OD2 3.4Å; R502-D507 PolarHBondContact NH1-OD2 2.85Å
508	F	48.6	Very low	50.3	Low	107 Å²	107	99.2 Å²	99.2	47%	0.469	54%	0.539	S	S	.	.			trans	-122.5	14.9	177.1	-79	-75.9	0	0	0	114.5	E506	E506-F508 PolarHBondContact O-N 3.17Å
509	N	49.2	Very low	52.4	Low	131 Å²	131	101.8 Å²	101.8	70%	0.701	54%	0.541	S	S	*	.	S	Bend	trans	-76.9	158.5	169.4	-63.4	-61	0	0	0	110.2
510	L	55.5	Low	54.6	Low	81 Å²	81	97.8 Å²	97.8	42%	0.424	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.9	135.8	166.4	-74	166.9	0	0	0	108.4	E512 K732	L510-E512 PolarHBondContact O-N 3.19Å; L510-K732 HydrophobicContact CD2-CB 4.05Å; L510-K732 HydrophobicContact CD2-CG 4.29Å
511	P	61.2	Low	57	Low	38 Å²	38	95 Å²	95	25%	0.247	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-52.3	131	179.8	-27.6	34.1	0	0	0	110.8	W728 M729 K732	P511-W728 HydrophobicContact CG-CB 4.11Å; P511-M729 HydrophobicContact CB-SD 3.49Å; P511-M729 WeakPolarHBondContact CB-SD 3.47Å; P511-M729 HydrophobicContact CG-CG 4.32Å; P511-M729 HydrophobicContact CG-SD 3.83Å; P511-K732 WeakPolarHBondContact O-CD 3.28Å; P511-K732 VanDerWaalsContact O-CE 3.22Å; P511-K732 WeakPolarHBondContact O-CE 3.3Å; P511-K732 PolarHBondContact O-NZ 3.21Å
512	E	62.9	Low	59.4	Low	136 Å²	136	97.2 Å²	97.2	64%	0.636	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-56.8	154.3	-178.8	-66.7	-158.3	115.1	0	0	111.8	L510 K515	L510-E512 PolarHBondContact O-N 3.19Å; E512-K515 IonicContact OE1-NZ 3.84Å; E512-K515 PolarHBondContact OE1-NZ 3.11Å; E512-K515 IonicContact OE2-NZ 3.61Å; E512-K515 PolarHBondContact OE2-NZ 3.17Å
513	D	67.7	Low	61.9	Low	42 Å²	42	96.3 Å²	96.3	23%	0.225	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.5	148.2	170.8	-73.1	6.8	0	0	0	110.3	K515 S654 H655 Q656 K732	D513-K515 PolarHBondContact O-N 3.01Å; D513-S654 WeakPolarHBondContact OD1-CA 3.29Å; D513-S654 WeakPolarHBondContact OD2-CA 3.27Å; D513-S654 WeakPolarHBondContact OD2-CB 3.27Å; D513-S654 PolarHBondContact OD2-OG 2.83Å; D513-H655 VanDerWaalsContact CG-N 3.35Å; D513-H655 PolarHBondContact OD1-N 3.02Å; D513-H655 PolarHBondContact OD2-N 2.85Å; D513-Q656 PolarHBondContact OD2-N 3.4Å; D513-K732 WeakPolarHBondContact OD1-CE 3.34Å; D513-K732 IonicContact OD1-NZ 3.02Å; D513-K732 PolarHBondContact OD1-NZ 3.33Å
514	A	65.7	Low	64.7	Low	42 Å²	42	91.8 Å²	91.8	35%	0.347	47%	0.471	S	S	.	.			trans	-69.1	95.6	-175.1	0	0	0	0	0	111.2
515	K	64.8	Low	67.1	Low	142 Å²	142	92.6 Å²	92.6	62%	0.617	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-74.1	144.7	177.7	-66	164.4	-171.3	171	0	111.4	E512 D513	E512-K515 IonicContact OE1-NZ 3.84Å; E512-K515 PolarHBondContact OE1-NZ 3.11Å; E512-K515 IonicContact OE2-NZ 3.61Å; E512-K515 PolarHBondContact OE2-NZ 3.17Å; D513-K515 PolarHBondContact O-N 3.01Å
516	L	62.3	Low	69.8	Low	48 Å²	48	92.8 Å²	92.8	25%	0.251	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-77.8	168.5	178.5	-76.8	152.6	0	0	0	113	H461 L465 E520 E521	H461-L516 WeakPolarHBondContact CE1-CD2 3.35Å; H461-L516 WeakPolarHBondContact NE2-CD1 3.4Å; L465-L516 HydrophobicContact CD1-CD2 4.02Å; L465-L516 HydrophobicContact CD1-CG 4.25Å; L465-L516 HydrophobicContact CD2-CD2 3.7Å; L465-L516 HydrophobicContact CD2-CG 4.21Å; L465-L516 HydrophobicContact CG-CD2 4Å; L516-E520 HydrophobicContact CD2-CB 3.98Å; L516-E521 HydrophobicContact CB-CB 4.5Å; L516-E521 HydrophobicContact CD1-CB 4.14Å; L516-E521 WeakPolarHBondContact CD1-OE2 3.22Å
517	S	73.9	Confident	72.4	Confident	55 Å²	55	88.2 Å²	88.2	39%	0.385	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-65.9	144.1	154	-172.5	0	0	0	0	109.9	E519 E520 E521	S517-E519 PolarHBondContact O-N 3.12Å; S517-E520 WeakPolarHBondContact CB-OE2 3.33Å; S517-E520 PolarHBondContact N-OE2 3.15Å; S517-E520 VanDerWaalsContact N-OE2 3.08Å; S517-E520 PolarHBondContact O-N 3.06Å; S517-E521 PolarHBondContact O-N 2.98Å
518	A	77.2	Confident	75	Confident	83 Å²	83	85.9 Å²	85.9	69%	0.686	44%	0.439	S	S	*	.	H	α-helix	trans	-57.8	-37.5	178.4	0	0	0	0	0	112.1	E520 E521 E522	A518-E520 VanDerWaalsContact C-N 3.27Å; A518-E520 PolarHBondContact O-N 3.06Å; A518-E521 PolarHBondContact O-N 2.66Å; A518-E522 WeakPolarHBondContact O-CB 3.3Å; A518-E522 PolarHBondContact O-N 2.88Å
519	E	80.8	Confident	77.2	Confident	151 Å²	151	83 Å²	83	71%	0.706	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-28.5	177.3	-58.4	175.6	179.4	0	0	112.9	S517 K523	S517-E519 PolarHBondContact O-N 3.12Å; E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 PolarHBondContact O-N 3.29Å
520	E	83.1	Confident	79.4	Confident	91 Å²	91	80.5 Å²	80.5	43%	0.425	42%	0.422	S	S	.	.	H	α-helix	trans	-82.4	-39.9	-178.9	-66.1	172	132.9	0	0	111.7	L516 S517 A518 L524	L516-E520 HydrophobicContact CD2-CB 3.98Å; S517-E520 WeakPolarHBondContact CB-OE2 3.33Å; S517-E520 PolarHBondContact N-OE2 3.15Å; S517-E520 VanDerWaalsContact N-OE2 3.08Å; S517-E520 PolarHBondContact O-N 3.06Å; A518-E520 VanDerWaalsContact C-N 3.27Å; A518-E520 PolarHBondContact O-N 3.06Å; E520-L524 WeakPolarHBondContact O-CB 3.32Å; E520-L524 PolarHBondContact O-N 2.93Å; E520-L524 VanDerWaalsContact O-N 3.11Å
521	E	83.1	Confident	81.3	Confident	59 Å²	59	76.8 Å²	76.8	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-68.9	-41.9	172	-179	74.8	-159.8	0	0	110.9	L516 S517 A518 K523 L524 Q525 K595	L516-E521 HydrophobicContact CB-CB 4.5Å; L516-E521 HydrophobicContact CD1-CB 4.14Å; L516-E521 WeakPolarHBondContact CD1-OE2 3.22Å; S517-E521 PolarHBondContact O-N 2.98Å; A518-E521 PolarHBondContact O-N 2.66Å; E521-K523 VanDerWaalsContact C-N 3.34Å; E521-K523 PolarHBondContact O-N 3.05Å; E521-L524 WeakPolarHBondContact O-CB 3.4Å; E521-L524 PolarHBondContact O-N 2.87Å; E521-L524 VanDerWaalsContact O-N 3.14Å; E521-Q525 HydrophobicContact CG-CG 4.31Å; E521-Q525 VanDerWaalsContact O-CG 3.31Å; E521-Q525 WeakPolarHBondContact O-CG 3.38Å; E521-Q525 PolarHBondContact O-N 3.29Å; E521-Q525 PolarHBondContact OE1-NE2 2.97Å; E521-K595 IonicContact OE1-NZ 2.72Å; E521-K595 PolarHBondContact OE1-NZ 3.29Å
522	E	87.4	Confident	82.8	Confident	146 Å²	146	79 Å²	79	68%	0.682	41%	0.41	S	S	*	.	H	α-helix	trans	-57.9	-46.1	178.4	-176.6	172.5	-162.5	0	0	111.6	A518 Q525 E526	A518-E522 WeakPolarHBondContact O-CB 3.3Å; A518-E522 PolarHBondContact O-N 2.88Å; E522-Q525 PolarHBondContact O-N 2.89Å; E522-E526 PolarHBondContact O-N 3Å
523	K	89.6	Confident	84.4	Confident	140 Å²	140	75.4 Å²	75.4	61%	0.609	40%	0.4	S	S	*	.	H	α-helix	trans	-66.7	-35.2	176.1	-174.3	-175.5	173.8	-166.5	0	113.2	E519 E521 T527	E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 PolarHBondContact O-N 3.29Å; E521-K523 VanDerWaalsContact C-N 3.34Å; E521-K523 PolarHBondContact O-N 3.05Å; K523-T527 PolarHBondContact O-N 2.92Å; K523-T527 VanDerWaalsContact O-N 3.13Å; K523-T527 PolarHBondContact O-OG1 3.05Å
524	L	89.8	Confident	85.7	Confident	10 Å²	10	77.6 Å²	77.6	5%	0.052	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-42.7	172.8	179.2	64.3	0	0	0	110.6	L457 L458 E520 E521 T527 I528	L457-L524 HydrophobicContact CD1-CD1 3.98Å; L457-L524 HydrophobicContact CD2-CD1 4.09Å; L457-L524 HydrophobicContact CG-CD1 3.76Å; L458-L524 HydrophobicContact CD2-CD1 4.47Å; E520-L524 WeakPolarHBondContact O-CB 3.32Å; E520-L524 PolarHBondContact O-N 2.93Å; E520-L524 VanDerWaalsContact O-N 3.11Å; E521-L524 WeakPolarHBondContact O-CB 3.4Å; E521-L524 PolarHBondContact O-N 2.87Å; E521-L524 VanDerWaalsContact O-N 3.14Å; L524-T527 PolarHBondContact O-N 2.82Å; L524-T527 PolarHBondContact O-OG1 3.04Å; L524-T527 VanDerWaalsContact O-OG1 3.04Å; L524-I528 HydrophobicContact CD1-CD1 4.05Å; L524-I528 HydrophobicContact CD1-CG1 4.39Å; L524-I528 HydrophobicContact CD2-CD1 4.5Å; L524-I528 HydrophobicContact CG-CD1 3.84Å; L524-I528 WeakPolarHBondContact O-CB 3.15Å; L524-I528 VanDerWaalsContact O-CG1 3.23Å; L524-I528 WeakPolarHBondContact O-CG1 3.29Å; L524-I528 PolarHBondContact O-N 2.63Å
525	Q	90.9	Very high	87.1	Confident	82 Å²	82	76 Å²	76	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-38.7	177.5	-65.6	-64	-19.4	0	0	112.4	E521 E522 T527 I528 A529	E521-Q525 HydrophobicContact CG-CG 4.31Å; E521-Q525 VanDerWaalsContact O-CG 3.31Å; E521-Q525 WeakPolarHBondContact O-CG 3.38Å; E521-Q525 PolarHBondContact O-N 3.29Å; E521-Q525 PolarHBondContact OE1-NE2 2.97Å; E522-Q525 PolarHBondContact O-N 2.89Å; Q525-T527 PolarHBondContact O-N 3.27Å; Q525-I528 PolarHBondContact O-N 3.07Å; Q525-A529 VanDerWaalsContact O-CB 3.3Å; Q525-A529 WeakPolarHBondContact O-CB 3.47Å; Q525-A529 PolarHBondContact O-N 2.98Å
526	E	93.8	Very high	88.5	Confident	140 Å²	140	77.1 Å²	77.1	65%	0.654	39%	0.392	S	S	*	.	H	α-helix	trans	-58.3	-47.2	173.1	-175.6	-175.2	-152.6	0	0	111.5	E522 A529 D530	E522-E526 PolarHBondContact O-N 3Å; E526-A529 PolarHBondContact O-N 2.95Å; E526-D530 PolarHBondContact O-N 2.9Å
527	T	94	Very high	90.1	Very high	49 Å²	49	77.7 Å²	77.7	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-70.9	-36.3	-179.5	44.9	0	0	0	0	112.9	K523 L524 Q525 A529 D530 I531	K523-T527 PolarHBondContact O-N 2.92Å; K523-T527 VanDerWaalsContact O-N 3.13Å; K523-T527 PolarHBondContact O-OG1 3.05Å; L524-T527 PolarHBondContact O-N 2.82Å; L524-T527 PolarHBondContact O-OG1 3.04Å; L524-T527 VanDerWaalsContact O-OG1 3.04Å; Q525-T527 PolarHBondContact O-N 3.27Å; T527-A529 VanDerWaalsContact C-N 3.34Å; T527-D530 PolarHBondContact O-N 3.34Å; T527-I531 WeakPolarHBondContact O-CG1 3.49Å; T527-I531 PolarHBondContact O-N 3.32Å; T527-I531 VanDerWaalsContact O-N 3.16Å
528	I	93.3	Very high	91.1	Very high	30 Å²	30	75.1 Å²	75.1	15%	0.154	39%	0.386	C	S	.	.	H	α-helix	trans	-61.3	-42.5	169.6	-71.8	169.5	0	0	0	111.1	M454 L457 L458 L524 Q525 D530 I531 Q532 M590	M454-I528 HydrophobicContact CE-CB 4.28Å; M454-I528 HydrophobicContact CE-CG1 3.98Å; M454-I528 HydrophobicContact CE-CG2 4.02Å; M454-I528 HydrophobicContact SD-CG1 4.1Å; L457-I528 HydrophobicContact CD2-CG1 3.98Å; L458-I528 HydrophobicContact CD2-CD1 4.47Å; L524-I528 HydrophobicContact CD1-CD1 4.05Å; L524-I528 HydrophobicContact CD1-CG1 4.39Å; L524-I528 HydrophobicContact CD2-CD1 4.5Å; L524-I528 HydrophobicContact CG-CD1 3.84Å; L524-I528 WeakPolarHBondContact O-CB 3.15Å; L524-I528 VanDerWaalsContact O-CG1 3.23Å; L524-I528 WeakPolarHBondContact O-CG1 3.29Å; L524-I528 PolarHBondContact O-N 2.63Å; Q525-I528 PolarHBondContact O-N 3.07Å; I528-D530 PolarHBondContact O-N 3.48Å; I528-I531 PolarHBondContact O-N 2.95Å; I528-Q532 WeakPolarHBondContact O-CB 3.36Å; I528-Q532 PolarHBondContact O-N 3.11Å; I528-M590 HydrophobicContact CG2-SD 4.49Å
529	A	94.3	Very high	92	Very high	47 Å²	47	72.4 Å²	72.4	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-34.1	-179.9	0	0	0	0	0	113.1	Q525 E526 T527 Q532 S533	Q525-A529 VanDerWaalsContact O-CB 3.3Å; Q525-A529 WeakPolarHBondContact O-CB 3.47Å; Q525-A529 PolarHBondContact O-N 2.98Å; E526-A529 PolarHBondContact O-N 2.95Å; T527-A529 VanDerWaalsContact C-N 3.34Å; A529-Q532 PolarHBondContact O-N 3.46Å; A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 2.97Å
530	D	95.9	Very high	92.7	Very high	79 Å²	79	69.3 Å²	69.3	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-44.9	171.4	178.5	70.5	0	0	0	112.1	E526 T527 I528 Q532 S533 R534	E526-D530 PolarHBondContact O-N 2.9Å; T527-D530 PolarHBondContact O-N 3.34Å; I528-D530 PolarHBondContact O-N 3.48Å; D530-Q532 VanDerWaalsContact C-N 3.28Å; D530-Q532 PolarHBondContact O-N 3.49Å; D530-S533 WeakPolarHBondContact O-CA 3.41Å; D530-S533 VanDerWaalsContact O-CB 3.25Å; D530-S533 WeakPolarHBondContact O-CB 3.44Å; D530-S533 PolarHBondContact O-N 3.49Å; D530-R534 PolarHBondContact O-N 3.34Å; D530-R534 IonicContact OD1-NE 3.3Å; D530-R534 IonicContact OD2-CZ 3.43Å; D530-R534 IonicContact OD2-NE 3.8Å; D530-R534 PolarHBondContact OD2-NE 3.24Å; D530-R534 IonicContact OD2-NH2 2.78Å; D530-R534 PolarHBondContact OD2-NH2 2.89Å
531	I	95.7	Very high	93.2	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-41.7	173.7	-63.5	165.5	0	0	0	110.2	L450 E453 M454 L457 T527 I528 S533 R534 A535 L589 M590	L450-I531 HydrophobicContact CD2-CG2 4.21Å; E453-I531 HydrophobicContact CG-CD1 4.04Å; E453-I531 HydrophobicContact CG-CG1 4.39Å; M454-I531 HydrophobicContact CE-CB 4.08Å; M454-I531 HydrophobicContact CE-CD1 3.95Å; M454-I531 HydrophobicContact CE-CG2 3.89Å; M454-I531 HydrophobicContact SD-CD1 4.48Å; L457-I531 HydrophobicContact CD2-CD1 3.8Å; T527-I531 WeakPolarHBondContact O-CG1 3.49Å; T527-I531 PolarHBondContact O-N 3.32Å; T527-I531 VanDerWaalsContact O-N 3.16Å; I528-I531 PolarHBondContact O-N 2.95Å; I531-S533 VanDerWaalsContact C-N 3.29Å; I531-S533 PolarHBondContact O-N 2.91Å; I531-R534 PolarHBondContact O-N 2.94Å; I531-A535 VanDerWaalsContact O-CB 3.28Å; I531-A535 WeakPolarHBondContact O-CB 3.26Å; I531-A535 PolarHBondContact O-N 3Å; I531-L589 HydrophobicContact CG2-CD2 4.43Å; I531-M590 HydrophobicContact CG2-CE 4.24Å
532	Q	93.7	Very high	93.9	Very high	85 Å²	85	68.9 Å²	68.9	40%	0.397	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-32.4	174	-166.1	-177.7	35.3	0	0	112.8	I528 A529 D530 R536 M590	I528-Q532 WeakPolarHBondContact O-CB 3.36Å; I528-Q532 PolarHBondContact O-N 3.11Å; A529-Q532 PolarHBondContact O-N 3.46Å; D530-Q532 VanDerWaalsContact C-N 3.28Å; D530-Q532 PolarHBondContact O-N 3.49Å; Q532-R536 WeakPolarHBondContact O-CG 3.26Å; Q532-R536 PolarHBondContact O-N 3.31Å; Q532-R536 PolarHBondContact O-NE 2.74Å; Q532-M590 HydrophobicContact CB-CE 4.29Å; Q532-M590 HydrophobicContact CB-SD 3.51Å; Q532-M590 VanDerWaalsContact CB-SD 3.51Å; Q532-M590 HydrophobicContact CG-CG 3.92Å; Q532-M590 HydrophobicContact CG-SD 3.53Å; Q532-M590 VanDerWaalsContact CG-SD 3.53Å
533	S	94.7	Very high	94.3	Very high	60 Å²	60	68.8 Å²	68.8	42%	0.42	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-48.5	174.8	-159.5	0	0	0	0	111.1	A529 D530 I531 R536	A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 2.97Å; D530-S533 WeakPolarHBondContact O-CA 3.41Å; D530-S533 VanDerWaalsContact O-CB 3.25Å; D530-S533 WeakPolarHBondContact O-CB 3.44Å; D530-S533 PolarHBondContact O-N 3.49Å; I531-S533 VanDerWaalsContact C-N 3.29Å; I531-S533 PolarHBondContact O-N 2.91Å; S533-R536 PolarHBondContact O-N 3.3Å
534	R	95.7	Very high	94.5	Very high	89 Å²	89	66.2 Å²	66.2	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-39.2	176.9	-69.8	-176.5	-79.8	130	-10.1	112.4	L450 E453 D530 I531 R536 A537	L450-R534 HydrophobicContact CD2-CB 3.94Å; E453-R534 IonicContact OE1-CZ 2.73Å; E453-R534 IonicContact OE1-NH1 2.74Å; E453-R534 PolarHBondContact OE1-NH1 2.88Å; E453-R534 IonicContact OE1-NH2 3.37Å; E453-R534 PolarHBondContact OE1-NH2 3.08Å; E453-R534 IonicContact OE2-CZ 3.19Å; E453-R534 IonicContact OE2-NH1 3.68Å; E453-R534 PolarHBondContact OE2-NH1 3.37Å; E453-R534 IonicContact OE2-NH2 3.5Å; E453-R534 PolarHBondContact OE2-NH2 2.96Å; D530-R534 PolarHBondContact O-N 3.34Å; D530-R534 IonicContact OD1-NE 3.3Å; D530-R534 IonicContact OD2-CZ 3.43Å; D530-R534 IonicContact OD2-NE 3.8Å; D530-R534 PolarHBondContact OD2-NE 3.24Å; D530-R534 IonicContact OD2-NH2 2.78Å; D530-R534 PolarHBondContact OD2-NH2 2.89Å; I531-R534 PolarHBondContact O-N 2.94Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 2.82Å; R534-A537 WeakPolarHBondContact O-CB 3.36Å; R534-A537 PolarHBondContact O-N 2.92Å
535	A	95.4	Very high	94.7	Very high	7 Å²	7	68.2 Å²	68.2	6%	0.058	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-38.3	175.5	0	0	0	0	0	113.1	L450 I531 A537 V538 H586 L589	L450-A535 HydrophobicContact CD1-CB 4.13Å; I531-A535 VanDerWaalsContact O-CB 3.28Å; I531-A535 WeakPolarHBondContact O-CB 3.26Å; I531-A535 PolarHBondContact O-N 3Å; A535-A537 PolarHBondContact O-N 3Å; A535-V538 WeakPolarHBondContact O-CG2 3.4Å; A535-V538 PolarHBondContact O-N 2.91Å; A535-H586 PolarHBondContact O-NE2 3.24Å; A535-L589 HydrophobicContact CB-CD2 3.55Å
536	R	93.7	Very high	95	Very high	166 Å²	166	65.9 Å²	65.9	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-66.6	-19.2	176.2	-76.1	175.1	-72.9	145.3	-10.8	113.8	Q532 S533 R534	Q532-R536 WeakPolarHBondContact O-CG 3.26Å; Q532-R536 PolarHBondContact O-N 3.31Å; Q532-R536 PolarHBondContact O-NE 2.74Å; S533-R536 PolarHBondContact O-N 3.3Å; R534-R536 VanDerWaalsContact C-N 3.3Å; R534-R536 PolarHBondContact O-N 2.82Å
537	A	95.3	Very high	95	Very high	61 Å²	61	60.4 Å²	60.4	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-82.8	-22.7	177.7	0	0	0	0	0	113.8	R534 A535 F539 A540	R534-A537 WeakPolarHBondContact O-CB 3.36Å; R534-A537 PolarHBondContact O-N 2.92Å; A535-A537 PolarHBondContact O-N 3Å; A537-F539 VanDerWaalsContact C-N 3.28Å; A537-F539 PolarHBondContact O-N 2.87Å; A537-F539 VanDerWaalsContact O-N 3.15Å; A537-A540 WeakPolarHBondContact O-CB 3.08Å; A537-A540 PolarHBondContact O-N 3.07Å
538	V	96.2	Very high	95.2	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.8	-170.9	175.1	0	0	0	0	113.6	K443 E446 I447 L450 A535	K443-V538 HydrophobicContact CB-CG1 4.24Å; K443-V538 HydrophobicContact CD-CG1 4.19Å; K443-V538 VanDerWaalsContact CD-O 3.25Å; K443-V538 WeakPolarHBondContact CD-O 3.46Å; K443-V538 WeakPolarHBondContact CE-O 3.19Å; K443-V538 PolarHBondContact NZ-O 2.8Å; E446-V538 HydrophobicContact CB-CG1 4.13Å; E446-V538 HydrophobicContact CB-CG2 4.23Å; I447-V538 HydrophobicContact CD1-CG1 4.48Å; I447-V538 HydrophobicContact CG1-CG1 4.08Å; L450-V538 HydrophobicContact CD1-CG2 3.58Å; A535-V538 WeakPolarHBondContact O-CG2 3.4Å; A535-V538 PolarHBondContact O-N 2.91Å
539	F	96.1	Very high	95.3	Very high	25 Å²	25	59.2 Å²	59.2	11%	0.11	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	10.1	-179.8	-71.6	-75.5	0	0	0	113.5	L440 K443 I447 A537 D541 V542 C547 I583 H586	L440-F539 HydrophobicContact CD2-CE1 4.09Å; L440-F539 HydrophobicContact CD2-CZ 4.23Å; K443-F539 HydrophobicContact CB-CE1 3.96Å; K443-F539 HydrophobicContact CB-CZ 4.1Å; K443-F539 HydrophobicContact CG-CD1 4.26Å; K443-F539 HydrophobicContact CG-CE1 3.93Å; I447-F539 HydrophobicContact CD1-CE2 4.03Å; I447-F539 HydrophobicContact CD1-CZ 4.04Å; A537-F539 VanDerWaalsContact C-N 3.28Å; A537-F539 PolarHBondContact O-N 2.87Å; A537-F539 VanDerWaalsContact O-N 3.15Å; F539-D541 PolarHBondContact O-N 3.05Å; F539-V542 HydrophobicContact CB-CB 4.45Å; F539-V542 HydrophobicContact CD1-CB 4.08Å; F539-V542 HydrophobicContact CD1-CG1 4.25Å; F539-V542 HydrophobicContact CD1-CG2 3.94Å; F539-V542 PolarHBondContact O-N 3.45Å; F539-C547 HydrophobicContact CB-CB 4.29Å; F539-C547 HydrophobicContact CD1-CB 3.51Å; F539-C547 HydrophobicContact CE1-CB 3.94Å; F539-C547 HydrophobicContact CG-CB 3.96Å; F539-I583 HydrophobicContact CZ-CG1 4.3Å; F539-H586 AromaticContact CD2-CE1 3.88Å; F539-H586 AromaticContact CD2-ND1 3.96Å; F539-H586 AromaticContact CD2-NE2 3.92Å; F539-H586 HydrophobicContact CE2-CB 4.03Å; F539-H586 AromaticContact CE2-CD2 3.95Å; F539-H586 AromaticContact CE2-CG 3.73Å; F539-H586 AromaticContact CE2-ND1 3.99Å
540	A	94.8	Very high	95.5	Very high	86 Å²	86	63.9 Å²	63.9	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.3	-175	0	0	0	0	0	114.2	A537	A537-A540 WeakPolarHBondContact O-CB 3.08Å; A537-A540 PolarHBondContact O-N 3.07Å
541	D	94.9	Very high	95.5	Very high	118 Å²	118	63.3 Å²	63.3	63%	0.631	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.2	174.2	58.2	-27	0	0	0	113.4	K443 F539	K443-D541 WeakPolarHBondContact CE-OD1 3.44Å; K443-D541 IonicContact NZ-OD1 2.81Å; K443-D541 PolarHBondContact NZ-OD1 3.43Å; K443-D541 IonicContact NZ-OD2 3.92Å; K443-D541 PolarHBondContact NZ-OD2 2.81Å; F539-D541 PolarHBondContact O-N 3.05Å
542	V	96.5	Very high	95.6	Very high	24 Å²	24	63.2 Å²	63.2	15%	0.145	33%	0.328	C	S	.	.	S	Bend	trans	-103.7	140.9	-173.7	-179.1	0	0	0	0	110.8	K443 F539 F546 C547	K443-V542 HydrophobicContact CG-CG2 4.49Å; F539-V542 HydrophobicContact CB-CB 4.45Å; F539-V542 HydrophobicContact CD1-CB 4.08Å; F539-V542 HydrophobicContact CD1-CG1 4.25Å; F539-V542 HydrophobicContact CD1-CG2 3.94Å; F539-V542 PolarHBondContact O-N 3.45Å; V542-F546 HydrophobicContact CG1-CB 3.88Å; V542-C547 HydrophobicContact CG1-CB 4.06Å
543	Q	95.1	Very high	95.7	Very high	143 Å²	143	59.4 Å²	59.4	67%	0.668	31%	0.31	S	S	*	.			trans	-76.8	141.1	173.5	-62.6	178.6	0.5	0	0	110.9	D545 F546	Q543-D545 PolarHBondContact O-N 2.73Å; Q543-F546 HydrophobicContact CB-CD2 4.25Å; Q543-F546 PolarHBondContact O-N 3.23Å
544	D	94.4	Very high	95.7	Very high	87 Å²	87	59.1 Å²	59.1	47%	0.465	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-48.7	-37.5	-177.1	-48.7	8.1	0	0	0	114.3	F546 C547 D548 K551	D544-F546 PolarHBondContact O-N 3.03Å; D544-C547 PolarHBondContact O-N 3.49Å; D544-D548 HydrophobicContact CB-CB 4.35Å; D544-D548 WeakPolarHBondContact O-CB 3.08Å; D544-D548 PolarHBondContact O-N 3.33Å; D544-K551 HydrophobicContact CB-CD 3.59Å; D544-K551 IonicContact OD2-NZ 2.69Å; D544-K551 PolarHBondContact OD2-NZ 3Å
545	D	94.7	Very high	95.7	Very high	52 Å²	52	59.3 Å²	59.3	28%	0.278	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-56.8	-12.8	177	-86.9	47	0	0	0	113.4	Y432 Q543 R555	Y432-D545 WeakPolarHBondContact CE2-O 3.28Å; Y432-D545 PolarHBondContact OH-O 2.73Å; Q543-D545 PolarHBondContact O-N 2.73Å; D545-R555 IonicContact OD2-CZ 3.37Å; D545-R555 IonicContact OD2-NE 3.26Å; D545-R555 IonicContact OD2-NH2 3.51Å; D545-R555 PolarHBondContact OD2-NH2 2.85Å
546	F	96	Very high	95.7	Very high	33 Å²	33	59.2 Å²	59.2	15%	0.145	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-117.5	-2.4	177.4	-56	-74.3	0	0	0	115.2	Y432 N435 L436 V542 Q543 D544	Y432-F546 HydrophobicContact CD2-CD1 4.35Å; Y432-F546 AromaticContact CD2-CE1 3.56Å; Y432-F546 HydrophobicContact CD2-CE1 3.56Å; Y432-F546 HydrophobicContact CD2-CZ 4.07Å; Y432-F546 AromaticContact CE2-CD1 3.87Å; Y432-F546 HydrophobicContact CE2-CD1 3.87Å; Y432-F546 AromaticContact CE2-CE1 3.51Å; Y432-F546 HydrophobicContact CE2-CE1 3.51Å; Y432-F546 HydrophobicContact CE2-CZ 4.17Å; N435-F546 HydrophobicContact CB-CE1 3.8Å; N435-F546 HydrophobicContact CB-CZ 4.08Å; L436-F546 HydrophobicContact CB-CD1 3.86Å; L436-F546 HydrophobicContact CB-CE1 4.34Å; L436-F546 HydrophobicContact CD1-CB 4.09Å; L436-F546 HydrophobicContact CD1-CD1 4.03Å; L436-F546 WeakPolarHBondContact CD1-O 3.23Å; V542-F546 HydrophobicContact CG1-CB 3.88Å; Q543-F546 HydrophobicContact CB-CD2 4.25Å; Q543-F546 PolarHBondContact O-N 3.23Å; D544-F546 PolarHBondContact O-N 3.03Å
547	C	95.1	Very high	95.6	Very high	25 Å²	25	52.8 Å²	52.8	17%	0.169	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-16.2	179.3	65.3	0	0	0	0	115.2	F539 V542 D544 I583	F539-C547 HydrophobicContact CB-CB 4.29Å; F539-C547 HydrophobicContact CD1-CB 3.51Å; F539-C547 HydrophobicContact CE1-CB 3.94Å; F539-C547 HydrophobicContact CG-CB 3.96Å; V542-C547 HydrophobicContact CG1-CB 4.06Å; D544-C547 PolarHBondContact O-N 3.49Å; C547-I583 VanDerWaalsContact O-CG2 3.31Å; C547-I583 WeakPolarHBondContact O-CG2 3.42Å
548	D	96.8	Very high	95.5	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	28%	0.278	S	S	.	.			trans	-85.3	113.8	170.4	178.9	-4.6	0	0	0	110	D544 K550 K551 I552	D544-D548 HydrophobicContact CB-CB 4.35Å; D544-D548 WeakPolarHBondContact O-CB 3.08Å; D544-D548 PolarHBondContact O-N 3.33Å; D548-K550 PolarHBondContact O-N 2.87Å; D548-K550 VanDerWaalsContact O-N 3.15Å; D548-K550 VanDerWaalsContact OD1-CB 3.27Å; D548-K550 WeakPolarHBondContact OD1-CB 3.38Å; D548-K550 PolarHBondContact OD1-N 3Å; D548-K551 HydrophobicContact CB-CB 4.13Å; D548-K551 HydrophobicContact CB-CD 4Å; D548-K551 HydrophobicContact CB-CG 4.06Å; D548-K551 PolarHBondContact O-N 3.26Å; D548-K551 VanDerWaalsContact OD2-CE 3.27Å; D548-K551 WeakPolarHBondContact OD2-CE 3.49Å; D548-K551 WeakPolarHBondContact OD2-CG 3.23Å; D548-I552 WeakPolarHBondContact O-CG1 3.29Å; D548-I552 PolarHBondContact O-N 2.98Å
549	V	97.4	Very high	95.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-53	-35.6	177.9	179.6	0	0	0	0	112	L553 L580 I583 W606 A609 V610	V549-L553 HydrophobicContact CG1-CD1 3.73Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 VanDerWaalsContact O-CB 3.3Å; V549-L553 WeakPolarHBondContact O-CB 3.38Å; V549-L553 VanDerWaalsContact O-CG 3.24Å; V549-L553 WeakPolarHBondContact O-CG 3.48Å; V549-L553 PolarHBondContact O-N 3.17Å; V549-L580 HydrophobicContact CG1-CD1 3.97Å; V549-L580 HydrophobicContact CG1-CD2 3.98Å; V549-L580 HydrophobicContact CG2-CD2 4.45Å; V549-I583 HydrophobicContact CG2-CB 4.26Å; V549-I583 HydrophobicContact CG2-CG2 3.59Å; V549-W606 HydrophobicContact CB-CB 4.47Å; V549-W606 HydrophobicContact CG1-CB 4.47Å; V549-W606 HydrophobicContact CG2-CB 3.89Å; V549-A609 HydrophobicContact CB-CB 4.11Å; V549-A609 HydrophobicContact CG1-CB 3.8Å; V549-V610 HydrophobicContact CG1-CG2 4.03Å
550	K	96.6	Very high	95.2	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-38.8	179.4	-170.8	175.6	-179.7	174.1	0	112.2	D548 S554 A609	D548-K550 PolarHBondContact O-N 2.87Å; D548-K550 VanDerWaalsContact O-N 3.15Å; D548-K550 VanDerWaalsContact OD1-CB 3.27Å; D548-K550 WeakPolarHBondContact OD1-CB 3.38Å; D548-K550 PolarHBondContact OD1-N 3Å; K550-S554 PolarHBondContact O-N 3.29Å; K550-A609 HydrophobicContact CB-CB 4.03Å
551	K	96.8	Very high	95	Very high	67 Å²	67	57.8 Å²	57.8	29%	0.291	27%	0.274	S	S	.	.	H	α-helix	trans	-74.7	-33.8	176.8	-65.6	177.3	-168.5	-170.4	0	112.1	D544 D548 S554	D544-K551 HydrophobicContact CB-CD 3.59Å; D544-K551 IonicContact OD2-NZ 2.69Å; D544-K551 PolarHBondContact OD2-NZ 3Å; D548-K551 HydrophobicContact CB-CB 4.13Å; D548-K551 HydrophobicContact CB-CD 4Å; D548-K551 HydrophobicContact CB-CG 4.06Å; D548-K551 PolarHBondContact O-N 3.26Å; D548-K551 VanDerWaalsContact OD2-CE 3.27Å; D548-K551 WeakPolarHBondContact OD2-CE 3.49Å; D548-K551 WeakPolarHBondContact OD2-CG 3.23Å; K551-S554 PolarHBondContact O-OG 3.12Å
552	I	97.5	Very high	94.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-50.6	172.3	-64.9	161.7	0	0	0	110	Y432 L436 D548 S554 R555 F556 L580 I583	Y432-I552 WeakPolarHBondContact OH-CA 3.31Å; Y432-I552 WeakPolarHBondContact OH-CG1 3.39Å; L436-I552 HydrophobicContact CD1-CD1 3.97Å; L436-I552 HydrophobicContact CD1-CG1 4.16Å; L436-I552 HydrophobicContact CD2-CG1 4.49Å; L436-I552 HydrophobicContact CD2-CG2 3.88Å; D548-I552 WeakPolarHBondContact O-CG1 3.29Å; D548-I552 PolarHBondContact O-N 2.98Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.85Å; I552-R555 PolarHBondContact O-N 3.12Å; I552-F556 HydrophobicContact CG2-CD2 4.16Å; I552-F556 HydrophobicContact CG2-CE2 3.84Å; I552-F556 VanDerWaalsContact O-CD2 3.25Å; I552-F556 WeakPolarHBondContact O-CD2 3.18Å; I552-L580 HydrophobicContact CG2-CD2 4.13Å; I552-I583 HydrophobicContact CD1-CD1 3.23Å
553	L	96.4	Very high	94.5	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-33.4	-178.6	-74.3	172.3	0	0	0	113.1	V549 R555 F556 E557 L576 L580 A609 V610 F613	V549-L553 HydrophobicContact CG1-CD1 3.73Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 VanDerWaalsContact O-CB 3.3Å; V549-L553 WeakPolarHBondContact O-CB 3.38Å; V549-L553 VanDerWaalsContact O-CG 3.24Å; V549-L553 WeakPolarHBondContact O-CG 3.48Å; V549-L553 PolarHBondContact O-N 3.17Å; L553-R555 VanDerWaalsContact C-N 3.28Å; L553-R555 PolarHBondContact O-N 3.45Å; L553-F556 CarbonylContact O-C 3.59Å; L553-F556 PolarHBondContact O-N 2.56Å; L553-F556 VanDerWaalsContact O-N 3.15Å; L553-E557 WeakPolarHBondContact O-CB 3.39Å; L553-E557 PolarHBondContact O-N 3.38Å; L553-L576 HydrophobicContact CD2-CD1 3.9Å; L553-L576 HydrophobicContact CD2-CD2 3.93Å; L553-L576 HydrophobicContact CD2-CG 4.47Å; L553-L580 HydrophobicContact CD1-CD1 4.34Å; L553-L580 HydrophobicContact CD2-CD1 4.21Å; L553-L580 HydrophobicContact CG-CD1 4.41Å; L553-A609 HydrophobicContact CD1-CB 4.44Å; L553-A609 WeakPolarHBondContact CD1-O 3.38Å; L553-V610 HydrophobicContact CD1-CB 4.46Å; L553-V610 HydrophobicContact CD1-CG2 3.93Å; L553-F613 HydrophobicContact CB-CB 4.45Å; L553-F613 HydrophobicContact CB-CD2 3.91Å; L553-F613 HydrophobicContact CB-CE2 4.49Å; L553-F613 HydrophobicContact CB-CG 4.32Å; L553-F613 HydrophobicContact CD1-CB 3.92Å; L553-F613 HydrophobicContact CD1-CG 4.26Å; L553-F613 HydrophobicContact CD2-CB 4.47Å; L553-F613 HydrophobicContact CD2-CD1 4.07Å; L553-F613 HydrophobicContact CD2-CD2 3.95Å; L553-F613 HydrophobicContact CD2-CE1 4.27Å; L553-F613 HydrophobicContact CD2-CE2 4.14Å; L553-F613 HydrophobicContact CD2-CG 3.9Å; L553-F613 HydrophobicContact CD2-CZ 4.29Å; L553-F613 HydrophobicContact CG-CD2 4.39Å; L553-F613 HydrophobicContact CG-CG 4.4Å
554	S	94.8	Very high	94.3	Very high	55 Å²	55	52.2 Å²	52.2	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-30.2	177.3	70.2	0	0	0	0	113.2	K550 K551 I552 E557 E558	K550-S554 PolarHBondContact O-N 3.29Å; K551-S554 PolarHBondContact O-OG 3.12Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.85Å; S554-E557 PolarHBondContact O-N 3.15Å; S554-E558 WeakPolarHBondContact O-CB 3.45Å; S554-E558 PolarHBondContact O-N 2.96Å
555	R	95.2	Very high	94.1	Very high	92 Å²	92	54.3 Å²	54.3	35%	0.347	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-38.8	172	-61	-60	-174.5	-175.1	-1.4	112.8	M429 Y432 D545 I552 L553 E557 E558 W559	M429-R555 HydrophobicContact CE-CB 3.97Å; M429-R555 HydrophobicContact SD-CB 4.26Å; Y432-R555 HydrophobicContact CD1-CB 4.3Å; Y432-R555 HydrophobicContact CD1-CG 4.31Å; Y432-R555 HydrophobicContact CE1-CB 3.89Å; Y432-R555 HydrophobicContact CE1-CG 3.84Å; Y432-R555 HydrophobicContact CE2-CG 4.38Å; D545-R555 IonicContact OD2-CZ 3.37Å; D545-R555 IonicContact OD2-NE 3.26Å; D545-R555 IonicContact OD2-NH2 3.51Å; D545-R555 PolarHBondContact OD2-NH2 2.85Å; I552-R555 PolarHBondContact O-N 3.12Å; L553-R555 VanDerWaalsContact C-N 3.28Å; L553-R555 PolarHBondContact O-N 3.45Å; R555-E557 VanDerWaalsContact C-N 3.35Å; R555-E558 IonicContact NH1-OE2 3.38Å; R555-E558 PolarHBondContact NH1-OE2 2.97Å; R555-W559 PolarHBondContact O-N 3.3Å; R555-W559 VanDerWaalsContact O-N 3.14Å
556	F	95.3	Very high	94.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-73.6	-29.4	174.2	-68.4	-71.3	0	0	0	112.1	M429 V433 I552 L553 W559 R560 Y567 I572 L576 L579 F613	M429-F556 HydrophobicContact CE-CD1 3.45Å; M429-F556 VanDerWaalsContact CE-CD1 3.45Å; M429-F556 HydrophobicContact CE-CD2 4.35Å; M429-F556 HydrophobicContact CE-CE1 3.36Å; M429-F556 HydrophobicContact CE-CE2 4.24Å; M429-F556 HydrophobicContact CE-CG 3.99Å; M429-F556 HydrophobicContact CE-CZ 3.78Å; V433-F556 HydrophobicContact CG2-CE1 4.15Å; V433-F556 HydrophobicContact CG2-CZ 3.9Å; I552-F556 HydrophobicContact CG2-CD2 4.16Å; I552-F556 HydrophobicContact CG2-CE2 3.84Å; I552-F556 VanDerWaalsContact O-CD2 3.25Å; I552-F556 WeakPolarHBondContact O-CD2 3.18Å; L553-F556 CarbonylContact O-C 3.59Å; L553-F556 PolarHBondContact O-N 2.56Å; L553-F556 VanDerWaalsContact O-N 3.15Å; F556-W559 HydrophobicContact CD1-CE3 4.2Å; F556-W559 HydrophobicContact CE1-CE3 4.43Å; F556-W559 HydrophobicContact CE1-CZ3 4.47Å; F556-W559 WeakPolarHBondContact O-CB 3.46Å; F556-W559 PolarHBondContact O-N 3.46Å; F556-R560 WeakPolarHBondContact O-CB 3.41Å; F556-R560 PolarHBondContact O-N 3.11Å; F556-Y567 HydrophobicContact CB-CE2 4.39Å; F556-I572 HydrophobicContact CB-CG2 4.43Å; F556-I572 HydrophobicContact CD1-CG2 3.5Å; F556-I572 VanDerWaalsContact CD1-CG2 3.5Å; F556-I572 HydrophobicContact CE1-CD1 4.47Å; F556-I572 HydrophobicContact CE1-CG2 4.01Å; F556-I572 HydrophobicContact CG-CG2 4.16Å; F556-L576 HydrophobicContact CB-CD2 4.39Å; F556-L576 HydrophobicContact CD1-CD2 4.47Å; F556-L576 HydrophobicContact CD2-CD2 3.6Å; F556-L576 HydrophobicContact CE2-CD2 3.94Å; F556-L576 HydrophobicContact CG-CD2 3.9Å; F556-L576 HydrophobicContact CZ-CD2 4.48Å; F556-L579 HydrophobicContact CE2-CD2 3.44Å; F556-L579 VanDerWaalsContact CE2-CD2 3.44Å; F556-L579 HydrophobicContact CZ-CD2 3.45Å; F556-L579 VanDerWaalsContact CZ-CD2 3.45Å; F556-F613 HydrophobicContact CB-CE2 4.39Å
557	E	92.8	Very high	93.9	Very high	30 Å²	30	51.7 Å²	51.7	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-38.3	172.7	-156.6	-172.9	-147.7	0	0	112.1	L553 S554 R555 W559 R560 R561 F613 H619	L553-E557 WeakPolarHBondContact O-CB 3.39Å; L553-E557 PolarHBondContact O-N 3.38Å; S554-E557 PolarHBondContact O-N 3.15Å; R555-E557 VanDerWaalsContact C-N 3.35Å; E557-W559 VanDerWaalsContact C-N 3.32Å; E557-W559 PolarHBondContact O-N 3.05Å; E557-R560 PolarHBondContact O-N 2.82Å; E557-R560 IonicContact OE1-NH2 2.7Å; E557-R561 WeakPolarHBondContact O-CB 3.43Å; E557-R561 WeakPolarHBondContact O-CG 3.42Å; E557-R561 PolarHBondContact O-N 3.02Å; E557-R561 IonicContact OE1-CZ 3.17Å; E557-R561 IonicContact OE1-NH1 3.81Å; E557-R561 IonicContact OE1-NH2 3.83Å; E557-R561 PolarHBondContact OE1-NH2 3.12Å; E557-R561 IonicContact OE2-CZ 3.9Å; E557-R561 IonicContact OE2-NH1 2.76Å; E557-R561 PolarHBondContact OE2-NH1 2.88Å; E557-R561 IonicContact OE2-NH2 3.91Å; E557-R561 PolarHBondContact OE2-NH2 3.5Å; E557-F613 HydrophobicContact CB-CD2 4.18Å; E557-F613 HydrophobicContact CB-CE2 3.97Å; E557-F613 HydrophobicContact CG-CD2 4.41Å; E557-F613 HydrophobicContact CG-CE2 4.38Å; E557-H619 VanDerWaalsContact CD-NE2 3.27Å; E557-H619 IonicContact OE1-CE1 2.75Å; E557-H619 PolarHBondContact OE1-CE1 3.16Å; E557-H619 IonicContact OE1-NE2 2.89Å; E557-H619 PolarHBondContact OE1-NE2 2.98Å
558	E	93.3	Very high	93.8	Very high	81 Å²	81	52.1 Å²	52.1	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-45.1	169.7	-172.5	-171.3	157.6	0	0	110.6	F425 S554 R555 S562	F425-E558 HydrophobicContact CE2-CG 4.13Å; S554-E558 WeakPolarHBondContact O-CB 3.45Å; S554-E558 PolarHBondContact O-N 2.96Å; R555-E558 IonicContact NH1-OE2 3.38Å; R555-E558 PolarHBondContact NH1-OE2 2.97Å; E558-S562 WeakPolarHBondContact O-CB 3.5Å; E558-S562 PolarHBondContact O-N 3.01Å; E558-S562 PolarHBondContact O-OG 2.92Å
559	W	94.1	Very high	93.6	Very high	33 Å²	33	55.5 Å²	55.5	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-52.8	172.4	-166.7	-11.4	0	0	0	111.5	F425 Y426 M429 R555 F556 E557 R561 S562 Y563 S566 Y567 A570 I572	F425-W559 HydrophobicContact CE1-CB 4.07Å; F425-W559 AromaticContact CE1-CD1 3.89Å; F425-W559 HydrophobicContact CE1-CD2 4.31Å; F425-W559 AromaticContact CE1-CG 3.81Å; F425-W559 HydrophobicContact CE1-CG 3.81Å; F425-W559 HydrophobicContact CZ-CB 3.73Å; F425-W559 HydrophobicContact CZ-CG 4Å; Y426-W559 AromaticContact CE1-NE1 3.89Å; M429-W559 HydrophobicContact CE-CE3 3.96Å; M429-W559 HydrophobicContact CE-CZ3 4.5Å; M429-W559 HydrophobicContact CG-CE3 3.76Å; M429-W559 HydrophobicContact CG-CZ3 4Å; R555-W559 PolarHBondContact O-N 3.3Å; R555-W559 VanDerWaalsContact O-N 3.14Å; F556-W559 HydrophobicContact CD1-CE3 4.2Å; F556-W559 HydrophobicContact CE1-CE3 4.43Å; F556-W559 HydrophobicContact CE1-CZ3 4.47Å; F556-W559 WeakPolarHBondContact O-CB 3.46Å; F556-W559 PolarHBondContact O-N 3.46Å; E557-W559 VanDerWaalsContact C-N 3.32Å; E557-W559 PolarHBondContact O-N 3.05Å; W559-R561 VanDerWaalsContact C-N 3.33Å; W559-R561 PolarHBondContact O-N 3.32Å; W559-S562 PolarHBondContact O-N 3.43Å; W559-Y563 CarbonylContact O-C 3.57Å; W559-Y563 PolarHBondContact O-N 2.81Å; W559-S566 PolarHBondContact NE1-OG 3.34Å; W559-Y567 HydrophobicContact CB-CD2 4.33Å; W559-Y567 HydrophobicContact CD2-CD2 4.49Å; W559-Y567 HydrophobicContact CG-CD2 4.28Å; W559-A570 HydrophobicContact CH2-CB 4.11Å; W559-A570 HydrophobicContact CZ2-CB 4.14Å; W559-I572 HydrophobicContact CE3-CD1 4.3Å; W559-I572 HydrophobicContact CE3-CG1 4.37Å; W559-I572 HydrophobicContact CH2-CD1 3.79Å; W559-I572 HydrophobicContact CH2-CG1 4.24Å; W559-I572 HydrophobicContact CZ3-CD1 3.58Å; W559-I572 HydrophobicContact CZ3-CG1 4.07Å
560	R	91.4	Very high	93.4	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.045	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-43.3	-178.2	-172.8	168.5	65.3	-178.2	1.4	112.4	F556 E557 S564 Y567 F613 H619 D626	F556-R560 WeakPolarHBondContact O-CB 3.41Å; F556-R560 PolarHBondContact O-N 3.11Å; E557-R560 PolarHBondContact O-N 2.82Å; E557-R560 IonicContact OE1-NH2 2.7Å; R560-S564 WeakPolarHBondContact O-CA 3.27Å; R560-S564 WeakPolarHBondContact O-CB 3.43Å; R560-S564 PolarHBondContact O-N 3.09Å; R560-Y567 HydrophobicContact CB-CD1 4.22Å; R560-Y567 HydrophobicContact CB-CD2 3.87Å; R560-Y567 HydrophobicContact CB-CE1 4.3Å; R560-Y567 HydrophobicContact CB-CE2 3.93Å; R560-Y567 HydrophobicContact CB-CG 4.03Å; R560-Y567 HydrophobicContact CG-CD1 4.01Å; R560-Y567 HydrophobicContact CG-CE1 3.95Å; R560-Y567 HydrophobicContact CG-CE2 4.45Å; R560-Y567 HydrophobicContact CG-CG 4.32Å; R560-F613 VanDerWaalsContact NH1-CE1 3.28Å; R560-F613 VanDerWaalsContact NH1-CZ 3.32Å; R560-F613 PolarHBondContact NH1-O 2.87Å; R560-F613 PolarHBondContact NH2-O 3.38Å; R560-H619 PolarHBondContact NH2-CE1 2.79Å; R560-D626 WeakPolarHBondContact CD-OD2 3.42Å; R560-D626 IonicContact CZ-OD2 2.03Å; R560-D626 IonicContact NE-OD2 3.59Å; R560-D626 IonicContact NH1-OD2 2.84Å; R560-D626 PolarHBondContact NH1-OD2 3.15Å
561	R	89.8	Confident	93.3	Very high	152 Å²	152	57.8 Å²	57.8	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-70.1	-43.2	175.7	-71.3	-172	-178.6	105.5	8.9	113	E557 W559 H619	E557-R561 WeakPolarHBondContact O-CB 3.43Å; E557-R561 WeakPolarHBondContact O-CG 3.42Å; E557-R561 PolarHBondContact O-N 3.02Å; E557-R561 IonicContact OE1-CZ 3.17Å; E557-R561 IonicContact OE1-NH1 3.81Å; E557-R561 IonicContact OE1-NH2 3.83Å; E557-R561 PolarHBondContact OE1-NH2 3.12Å; E557-R561 IonicContact OE2-CZ 3.9Å; E557-R561 IonicContact OE2-NH1 2.76Å; E557-R561 PolarHBondContact OE2-NH1 2.88Å; E557-R561 IonicContact OE2-NH2 3.91Å; E557-R561 PolarHBondContact OE2-NH2 3.5Å; W559-R561 VanDerWaalsContact C-N 3.33Å; W559-R561 PolarHBondContact O-N 3.32Å; R561-H619 PolarHBondContact NH2-CE1 3.21Å; R561-H619 VanDerWaalsContact NH2-CE1 3.29Å
562	S	90.5	Very high	93.1	Very high	65 Å²	65	55.5 Å²	55.5	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-83.4	-33.4	-170.2	-52	0	0	0	0	113.8	E558 W559	E558-S562 WeakPolarHBondContact O-CB 3.5Å; E558-S562 PolarHBondContact O-N 3.01Å; E558-S562 PolarHBondContact O-OG 2.92Å; W559-S562 PolarHBondContact O-N 3.43Å
563	Y	91.4	Very high	92.8	Very high	51 Å²	51	55.8 Å²	55.8	20%	0.2	28%	0.28	C	S	.	.			trans	-144.9	53.7	-173.1	-50.7	-74.6	0	0	0	111.4	Q422 F425 Y426 W559 D565 S566 Y567	Q422-Y563 WeakPolarHBondContact CA-OH 3.27Å; Q422-Y563 HydrophobicContact CB-CE1 3.73Å; Q422-Y563 HydrophobicContact CG-CD1 4Å; Q422-Y563 HydrophobicContact CG-CE1 3.64Å; Q422-Y563 VanDerWaalsContact NE2-CD1 3.26Å; F425-Y563 HydrophobicContact CB-CE2 3.88Å; F425-Y563 AromaticContact CD1-CD2 3.54Å; F425-Y563 HydrophobicContact CD1-CD2 3.54Å; F425-Y563 AromaticContact CD1-CE2 3.42Å; F425-Y563 HydrophobicContact CD1-CE2 3.42Å; F425-Y563 VanDerWaalsContact CD1-CE2 3.42Å; F425-Y563 HydrophobicContact CD2-CE2 4.14Å; F425-Y563 AromaticContact CE1-CD2 3.72Å; F425-Y563 HydrophobicContact CE1-CD2 3.72Å; F425-Y563 HydrophobicContact CE1-CE2 4Å; F425-Y563 HydrophobicContact CG-CD2 4.12Å; F425-Y563 AromaticContact CG-CE2 3.52Å; F425-Y563 HydrophobicContact CG-CE2 3.52Å; F425-Y563 HydrophobicContact CZ-CD2 4.42Å; Y426-Y563 HydrophobicContact CE1-CD2 4.36Å; Y426-Y563 HydrophobicContact CE1-CG 4.41Å; W559-Y563 CarbonylContact O-C 3.57Å; W559-Y563 PolarHBondContact O-N 2.81Å; Y563-D565 VanDerWaalsContact C-N 3.29Å; Y563-D565 PolarHBondContact O-N 3.14Å; Y563-D565 VanDerWaalsContact O-N 3.15Å; Y563-S566 WeakPolarHBondContact CB-OG 3.17Å; Y563-S566 PolarHBondContact O-N 2.88Å; Y563-S566 PolarHBondContact O-OG 3Å; Y563-S566 VanDerWaalsContact O-OG 3.06Å; Y563-Y567 PolarHBondContact O-N 2.96Å; Y563-Y567 VanDerWaalsContact O-N 3.17Å
564	S	90.1	Very high	92.6	Very high	52 Å²	52	59.8 Å²	59.8	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-42.8	-49.5	-177.1	-178.5	0	0	0	0	113.9	R560 S566 Y567 H568	R560-S564 WeakPolarHBondContact O-CA 3.27Å; R560-S564 WeakPolarHBondContact O-CB 3.43Å; R560-S564 PolarHBondContact O-N 3.09Å; S564-S566 VanDerWaalsContact C-N 3.29Å; S564-S566 PolarHBondContact O-N 3.41Å; S564-Y567 WeakPolarHBondContact O-CB 3.32Å; S564-Y567 PolarHBondContact O-N 3.27Å; S564-Y567 VanDerWaalsContact O-N 3.16Å; S564-H568 PolarHBondContact O-N 3.47Å; S564-H568 PolarHBondContact O-ND1 3.36Å; S564-H568 PolarHBondContact OG-CE1 3.43Å; S564-H568 PolarHBondContact OG-ND1 3.29Å; S564-H568 VanDerWaalsContact OG-ND1 3.15Å
565	D	90.8	Very high	92.6	Very high	132 Å²	132	60.1 Å²	60.1	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-53.3	-43.5	179	-68.1	1.3	0	0	0	112.8	Y563 N569	Y563-D565 VanDerWaalsContact C-N 3.29Å; Y563-D565 PolarHBondContact O-N 3.14Å; Y563-D565 VanDerWaalsContact O-N 3.15Å; D565-N569 VanDerWaalsContact O-CB 3.29Å; D565-N569 WeakPolarHBondContact O-CB 3.27Å; D565-N569 PolarHBondContact O-N 2.82Å; D565-N569 PolarHBondContact O-ND2 3.37Å
566	S	93.8	Very high	92.6	Very high	29 Å²	29	55.8 Å²	55.8	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-81	-25.4	-177.2	69.7	0	0	0	0	113.1	Y426 W559 Y563 S564 A570	Y426-S566 WeakPolarHBondContact CE1-OG 3.31Å; Y426-S566 VanDerWaalsContact OH-CB 3.26Å; Y426-S566 WeakPolarHBondContact OH-CB 3.48Å; Y426-S566 PolarHBondContact OH-OG 2.98Å; W559-S566 PolarHBondContact NE1-OG 3.34Å; Y563-S566 WeakPolarHBondContact CB-OG 3.17Å; Y563-S566 PolarHBondContact O-N 2.88Å; Y563-S566 PolarHBondContact O-OG 3Å; Y563-S566 VanDerWaalsContact O-OG 3.06Å; S564-S566 VanDerWaalsContact C-N 3.29Å; S564-S566 PolarHBondContact O-N 3.41Å; S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 2.78Å; S566-A570 VanDerWaalsContact O-N 3.12Å
567	Y	93.3	Very high	92.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-50.5	170.3	171.5	-85.5	0	0	0	110.8	F556 W559 R560 Y563 S564 A570 Y571 I572 F613 D626	F556-Y567 HydrophobicContact CB-CE2 4.39Å; W559-Y567 HydrophobicContact CB-CD2 4.33Å; W559-Y567 HydrophobicContact CD2-CD2 4.49Å; W559-Y567 HydrophobicContact CG-CD2 4.28Å; R560-Y567 HydrophobicContact CB-CD1 4.22Å; R560-Y567 HydrophobicContact CB-CD2 3.87Å; R560-Y567 HydrophobicContact CB-CE1 4.3Å; R560-Y567 HydrophobicContact CB-CE2 3.93Å; R560-Y567 HydrophobicContact CB-CG 4.03Å; R560-Y567 HydrophobicContact CG-CD1 4.01Å; R560-Y567 HydrophobicContact CG-CE1 3.95Å; R560-Y567 HydrophobicContact CG-CE2 4.45Å; R560-Y567 HydrophobicContact CG-CG 4.32Å; Y563-Y567 PolarHBondContact O-N 2.96Å; Y563-Y567 VanDerWaalsContact O-N 3.17Å; S564-Y567 WeakPolarHBondContact O-CB 3.32Å; S564-Y567 PolarHBondContact O-N 3.27Å; S564-Y567 VanDerWaalsContact O-N 3.16Å; Y567-A570 PolarHBondContact O-N 3.26Å; Y567-Y571 PolarHBondContact O-N 2.92Å; Y567-I572 HydrophobicContact CD2-CB 3.75Å; Y567-I572 HydrophobicContact CD2-CG1 3.87Å; Y567-I572 HydrophobicContact CD2-CG2 3.9Å; Y567-I572 HydrophobicContact CE1-CB 4.4Å; Y567-I572 HydrophobicContact CE2-CB 3.52Å; Y567-I572 HydrophobicContact CE2-CG1 4.16Å; Y567-I572 HydrophobicContact CE2-CG2 3.33Å; Y567-I572 HydrophobicContact CG-CB 4.29Å; Y567-I572 HydrophobicContact CG-CG1 4.31Å; Y567-I572 WeakPolarHBondContact O-CG1 3.45Å; Y567-F613 WeakPolarHBondContact OH-CZ 3.23Å; Y567-D626 VanDerWaalsContact CE1-OD2 3.25Å; Y567-D626 WeakPolarHBondContact CE1-OD2 3.23Å; Y567-D626 VanDerWaalsContact CZ-OD2 3.32Å; Y567-D626 PolarHBondContact OH-OD2 2.87Å
568	H	91.5	Very high	92.7	Very high	35 Å²	35	61.9 Å²	61.9	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-41	-179.4	-62	98.3	0	0	0	111.9	S564 A570 Y571 E623	S564-H568 PolarHBondContact O-N 3.47Å; S564-H568 PolarHBondContact O-ND1 3.36Å; S564-H568 PolarHBondContact OG-CE1 3.43Å; S564-H568 PolarHBondContact OG-ND1 3.29Å; S564-H568 VanDerWaalsContact OG-ND1 3.15Å; H568-A570 PolarHBondContact O-N 3.46Å; H568-Y571 PolarHBondContact O-N 2.76Å; H568-E623 IonicContact CD2-OE1 3.69Å; H568-E623 IonicContact CD2-OE2 2.98Å; H568-E623 PolarHBondContact CD2-OE2 3.41Å; H568-E623 IonicContact CG-OE2 3.99Å; H568-E623 IonicContact NE2-OE2 2.94Å
569	N	93.4	Very high	92.8	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	30%	0.302	S	S	*	.	H	α-helix	trans	-64.6	-19	173.2	-80.9	-75.5	0	0	0	113.8	D565 Y571	D565-N569 VanDerWaalsContact O-CB 3.29Å; D565-N569 WeakPolarHBondContact O-CB 3.27Å; D565-N569 PolarHBondContact O-N 2.82Å; D565-N569 PolarHBondContact O-ND2 3.37Å; N569-Y571 WeakPolarHBondContact O-CD2 3.23Å; N569-Y571 WeakPolarHBondContact O-CE2 3.28Å
570	A	92.9	Very high	93	Very high	41 Å²	41	58 Å²	58	34%	0.339	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2	172.5	0	0	0	0	0	113.6	W559 S566 Y567 H568 I572	W559-A570 HydrophobicContact CH2-CB 4.11Å; W559-A570 HydrophobicContact CZ2-CB 4.14Å; S566-A570 WeakPolarHBondContact O-CB 3.45Å; S566-A570 PolarHBondContact O-N 2.78Å; S566-A570 VanDerWaalsContact O-N 3.12Å; Y567-A570 PolarHBondContact O-N 3.26Å; H568-A570 PolarHBondContact O-N 3.46Å; A570-I572 VanDerWaalsContact C-N 3.26Å; A570-I572 HydrophobicContact CB-CD1 3.88Å; A570-I572 HydrophobicContact CB-CG1 3.95Å; A570-I572 PolarHBondContact O-N 2.91Å
571	Y	93.6	Very high	93.2	Very high	152 Å²	152	59 Å²	59	60%	0.596	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	35.6	177.9	-56.2	-89.9	0	0	0	113.9	Y567 H568 N569 S573 L574 C575	Y567-Y571 PolarHBondContact O-N 2.92Å; H568-Y571 PolarHBondContact O-N 2.76Å; N569-Y571 WeakPolarHBondContact O-CD2 3.23Å; N569-Y571 WeakPolarHBondContact O-CE2 3.28Å; Y571-S573 PolarHBondContact O-N 2.98Å; Y571-L574 HydrophobicContact CD1-CD1 4Å; Y571-L574 WeakPolarHBondContact O-CB 3.3Å; Y571-L574 PolarHBondContact O-N 3.23Å; Y571-C575 PolarHBondContact O-N 2.74Å
572	I	93.5	Very high	93.6	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-42.6	-168.6	-63.1	-61.2	0	0	0	112.9	F556 W559 Y567 A570 L574 C575 L576	F556-I572 HydrophobicContact CB-CG2 4.43Å; F556-I572 HydrophobicContact CD1-CG2 3.5Å; F556-I572 VanDerWaalsContact CD1-CG2 3.5Å; F556-I572 HydrophobicContact CE1-CD1 4.47Å; F556-I572 HydrophobicContact CE1-CG2 4.01Å; F556-I572 HydrophobicContact CG-CG2 4.16Å; W559-I572 HydrophobicContact CE3-CD1 4.3Å; W559-I572 HydrophobicContact CE3-CG1 4.37Å; W559-I572 HydrophobicContact CH2-CD1 3.79Å; W559-I572 HydrophobicContact CH2-CG1 4.24Å; W559-I572 HydrophobicContact CZ3-CD1 3.58Å; W559-I572 HydrophobicContact CZ3-CG1 4.07Å; Y567-I572 HydrophobicContact CD2-CB 3.75Å; Y567-I572 HydrophobicContact CD2-CG1 3.87Å; Y567-I572 HydrophobicContact CD2-CG2 3.9Å; Y567-I572 HydrophobicContact CE1-CB 4.4Å; Y567-I572 HydrophobicContact CE2-CB 3.52Å; Y567-I572 HydrophobicContact CE2-CG1 4.16Å; Y567-I572 HydrophobicContact CE2-CG2 3.33Å; Y567-I572 HydrophobicContact CG-CB 4.29Å; Y567-I572 HydrophobicContact CG-CG1 4.31Å; Y567-I572 WeakPolarHBondContact O-CG1 3.45Å; A570-I572 VanDerWaalsContact C-N 3.26Å; A570-I572 HydrophobicContact CB-CD1 3.88Å; A570-I572 HydrophobicContact CB-CG1 3.95Å; A570-I572 PolarHBondContact O-N 2.91Å; I572-L574 VanDerWaalsContact C-N 3.26Å; I572-L574 PolarHBondContact O-N 3.01Å; I572-C575 CarbonylContact O-C 3.58Å; I572-C575 WeakPolarHBondContact O-CA 3.44Å; I572-C575 WeakPolarHBondContact O-CB 3.33Å; I572-C575 PolarHBondContact O-N 3.06Å; I572-L576 HydrophobicContact CG2-CD1 4.33Å; I572-L576 HydrophobicContact CG2-CD2 4.44Å; I572-L576 HydrophobicContact CG2-CG 4.09Å; I572-L576 WeakPolarHBondContact O-CG 3.41Å; I572-L576 PolarHBondContact O-N 3.01Å
573	S	91.3	Very high	93.9	Very high	7 Å²	7	49.3 Å²	49.3	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-26.4	176.4	37.8	0	0	0	0	114.2	Y571 C575 P577 D626	Y571-S573 PolarHBondContact O-N 2.98Å; S573-C575 VanDerWaalsContact C-N 3.27Å; S573-C575 PolarHBondContact O-N 3.45Å; S573-P577 WeakPolarHBondContact O-CD 3.43Å; S573-D626 WeakPolarHBondContact CB-OD1 3.38Å; S573-D626 PolarHBondContact OG-OD1 2.95Å
574	L	91.8	Very high	94.2	Very high	89 Å²	89	46.9 Å²	46.9	47%	0.466	25%	0.249	S	C	.	.	H	α-helix	trans	-78	-13.4	171.2	-55	-175.3	0	0	0	113	Y571 I572	Y571-L574 HydrophobicContact CD1-CD1 4Å; Y571-L574 WeakPolarHBondContact O-CB 3.3Å; Y571-L574 PolarHBondContact O-N 3.23Å; I572-L574 VanDerWaalsContact C-N 3.26Å; I572-L574 PolarHBondContact O-N 3.01Å
575	C	94.4	Very high	94.5	Very high	61 Å²	61	46.8 Å²	46.8	41%	0.412	24%	0.24	S	C	.	.	H	α-helix	trans	-99.6	-33.2	178.7	-68	0	0	0	0	112.8	Y571 I572 S573 K578 L579	Y571-C575 PolarHBondContact O-N 2.74Å; I572-C575 CarbonylContact O-C 3.58Å; I572-C575 WeakPolarHBondContact O-CA 3.44Å; I572-C575 WeakPolarHBondContact O-CB 3.33Å; I572-C575 PolarHBondContact O-N 3.06Å; S573-C575 VanDerWaalsContact C-N 3.27Å; S573-C575 PolarHBondContact O-N 3.45Å; C575-K578 WeakPolarHBondContact O-CB 3.42Å; C575-K578 PolarHBondContact O-N 3.41Å; C575-L579 PolarHBondContact O-N 3.1Å
576	L	95.6	Very high	94.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-51.2	-45.1	179.5	-74.1	175.3	0	0	0	113.7	L553 F556 I572 K578 L579 L580 F613 T629	L553-L576 HydrophobicContact CD2-CD1 3.9Å; L553-L576 HydrophobicContact CD2-CD2 3.93Å; L553-L576 HydrophobicContact CD2-CG 4.47Å; F556-L576 HydrophobicContact CB-CD2 4.39Å; F556-L576 HydrophobicContact CD1-CD2 4.47Å; F556-L576 HydrophobicContact CD2-CD2 3.6Å; F556-L576 HydrophobicContact CE2-CD2 3.94Å; F556-L576 HydrophobicContact CG-CD2 3.9Å; F556-L576 HydrophobicContact CZ-CD2 4.48Å; I572-L576 HydrophobicContact CG2-CD1 4.33Å; I572-L576 HydrophobicContact CG2-CD2 4.44Å; I572-L576 HydrophobicContact CG2-CG 4.09Å; I572-L576 WeakPolarHBondContact O-CG 3.41Å; I572-L576 PolarHBondContact O-N 3.01Å; L576-K578 PolarHBondContact O-N 3.08Å; L576-K578 VanDerWaalsContact O-N 3.16Å; L576-L579 HydrophobicContact CD2-CD2 4.35Å; L576-L579 PolarHBondContact O-N 3.06Å; L576-L579 VanDerWaalsContact O-N 3.13Å; L576-L580 WeakPolarHBondContact O-CB 3.49Å; L576-L580 WeakPolarHBondContact O-CG 3.39Å; L576-L580 PolarHBondContact O-N 3.4Å; L576-F613 HydrophobicContact CD1-CD1 4.39Å; L576-F613 HydrophobicContact CD1-CE1 3.46Å; L576-F613 VanDerWaalsContact CD1-CE1 3.46Å; L576-F613 HydrophobicContact CD1-CZ 3.56Å; L576-T629 HydrophobicContact CB-CG2 3.99Å; L576-T629 HydrophobicContact CD1-CG2 4.28Å
577	P	95.1	Very high	94.8	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-24	177	-25	34.4	0	0	0	115	S573 T629 N632 V633	S573-P577 WeakPolarHBondContact O-CD 3.43Å; P577-T629 HydrophobicContact CG-CG2 4.32Å; P577-N632 HydrophobicContact CB-CB 4.2Å; P577-N632 HydrophobicContact CG-CB 3.59Å; P577-V633 HydrophobicContact CB-CG2 4.15Å; P577-V633 HydrophobicContact CG-CG2 4.33Å
578	K	94.5	Very high	94.9	Very high	159 Å²	159	43.2 Å²	43.2	69%	0.691	22%	0.216	S	C	*	.	H	α-helix	trans	-86.3	-39	174.1	-62.1	174.2	-174.7	164.2	0	111.5	C575 L576 N581	C575-K578 WeakPolarHBondContact O-CB 3.42Å; C575-K578 PolarHBondContact O-N 3.41Å; L576-K578 PolarHBondContact O-N 3.08Å; L576-K578 VanDerWaalsContact O-N 3.16Å; K578-N581 VanDerWaalsContact O-CB 3.23Å; K578-N581 WeakPolarHBondContact O-CB 3.5Å; K578-N581 PolarHBondContact O-N 2.72Å
579	L	96.3	Very high	94.9	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-42.3	179.9	-175	63.7	0	0	0	111.8	L436 V437 L440 F556 C575 L576 N581 P582	L436-L579 HydrophobicContact CD2-CD1 3.9Å; L436-L579 HydrophobicContact CD2-CD2 3.83Å; L436-L579 HydrophobicContact CD2-CG 4.09Å; L436-L579 HydrophobicContact CG-CD1 4.16Å; V437-L579 HydrophobicContact CG2-CD1 3.95Å; L440-L579 HydrophobicContact CD1-CD1 4.24Å; L440-L579 WeakPolarHBondContact CD1-O 3.29Å; F556-L579 HydrophobicContact CE2-CD2 3.44Å; F556-L579 VanDerWaalsContact CE2-CD2 3.44Å; F556-L579 HydrophobicContact CZ-CD2 3.45Å; F556-L579 VanDerWaalsContact CZ-CD2 3.45Å; C575-L579 PolarHBondContact O-N 3.1Å; L576-L579 HydrophobicContact CD2-CD2 4.35Å; L576-L579 PolarHBondContact O-N 3.06Å; L576-L579 VanDerWaalsContact O-N 3.13Å; L579-N581 VanDerWaalsContact C-N 3.29Å; L579-N581 PolarHBondContact O-N 3.11Å; L579-P582 WeakPolarHBondContact O-CD 3.41Å
580	L	97.3	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-77.1	-14.1	177.5	-61.2	-179	0	0	0	113.3	V549 I552 L553 L576 P582 I583 V584 V610	V549-L580 HydrophobicContact CG1-CD1 3.97Å; V549-L580 HydrophobicContact CG1-CD2 3.98Å; V549-L580 HydrophobicContact CG2-CD2 4.45Å; I552-L580 HydrophobicContact CG2-CD2 4.13Å; L553-L580 HydrophobicContact CD1-CD1 4.34Å; L553-L580 HydrophobicContact CD2-CD1 4.21Å; L553-L580 HydrophobicContact CG-CD1 4.41Å; L576-L580 WeakPolarHBondContact O-CB 3.49Å; L576-L580 WeakPolarHBondContact O-CG 3.39Å; L576-L580 PolarHBondContact O-N 3.4Å; L580-P582 VanDerWaalsContact C-CD 3.5Å; L580-I583 PolarHBondContact O-N 3.1Å; L580-I583 VanDerWaalsContact O-N 3.11Å; L580-V584 HydrophobicContact CB-CG2 4.02Å; L580-V584 WeakPolarHBondContact O-CG2 3.46Å; L580-V584 PolarHBondContact O-N 3.18Å; L580-V610 HydrophobicContact CD1-CG2 3.68Å
581	N	96.8	Very high	94.8	Very high	33 Å²	33	38.4 Å²	38.4	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-50.3	-45.9	-172.8	-171.9	-86.6	0	0	0	114	K578 L579 R585 K636 T637	K578-N581 VanDerWaalsContact O-CB 3.23Å; K578-N581 WeakPolarHBondContact O-CB 3.5Å; K578-N581 PolarHBondContact O-N 2.72Å; L579-N581 VanDerWaalsContact C-N 3.29Å; L579-N581 PolarHBondContact O-N 3.11Å; N581-R585 VanDerWaalsContact O-CB 3.23Å; N581-R585 WeakPolarHBondContact O-CB 3.18Å; N581-R585 VanDerWaalsContact O-CG 3.27Å; N581-R585 WeakPolarHBondContact O-CG 3.39Å; N581-R585 PolarHBondContact O-N 3Å; N581-R585 WeakPolarHBondContact OD1-CD 3.32Å; N581-K636 PolarHBondContact ND2-O 3.14Å; N581-T637 HydrophobicContact CB-CG2 4.24Å; N581-T637 WeakPolarHBondContact ND2-CG2 3.47Å
582	P	96.9	Very high	94.6	Very high	13 Å²	13	33 Å²	33	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-44.5	178.7	-24.1	38	0	0	0	113.1	L440 I444 I447 L579 L580 R585 H586	L440-P582 HydrophobicContact CB-CG 4.3Å; L440-P582 HydrophobicContact CD2-CB 4.33Å; I444-P582 HydrophobicContact CB-CB 4.4Å; I444-P582 HydrophobicContact CB-CG 4.42Å; I444-P582 HydrophobicContact CD1-CB 3.95Å; I444-P582 HydrophobicContact CD1-CG 4.17Å; I444-P582 HydrophobicContact CG1-CG 4.44Å; I447-P582 HydrophobicContact CD1-CB 4.15Å; L579-P582 WeakPolarHBondContact O-CD 3.41Å; L580-P582 VanDerWaalsContact C-CD 3.5Å; P582-R585 PolarHBondContact O-N 2.85Å; P582-H586 WeakPolarHBondContact O-CB 3.14Å; P582-H586 PolarHBondContact O-N 3.28Å
583	I	97.3	Very high	94.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-69.9	-44.1	-176.3	-56.8	167.3	0	0	0	110.2	L440 F539 C547 V549 I552 L580 R585 H586 Q587	L440-I583 HydrophobicContact CD1-CD1 4.37Å; L440-I583 HydrophobicContact CD2-CD1 3.99Å; L440-I583 HydrophobicContact CD2-CG1 3.72Å; F539-I583 HydrophobicContact CZ-CG1 4.3Å; C547-I583 VanDerWaalsContact O-CG2 3.31Å; C547-I583 WeakPolarHBondContact O-CG2 3.42Å; V549-I583 HydrophobicContact CG2-CB 4.26Å; V549-I583 HydrophobicContact CG2-CG2 3.59Å; I552-I583 HydrophobicContact CD1-CD1 3.23Å; L580-I583 PolarHBondContact O-N 3.1Å; L580-I583 VanDerWaalsContact O-N 3.11Å; I583-R585 VanDerWaalsContact C-N 3.32Å; I583-R585 PolarHBondContact O-N 3.03Å; I583-H586 PolarHBondContact O-N 3.14Å; I583-Q587 WeakPolarHBondContact O-CG 3.23Å; I583-Q587 PolarHBondContact O-N 3.47Å
584	V	97.6	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-42.1	176.9	176.4	0	0	0	0	110.4	L580 Q587 L588 W606 V633 T637	L580-V584 HydrophobicContact CB-CG2 4.02Å; L580-V584 WeakPolarHBondContact O-CG2 3.46Å; L580-V584 PolarHBondContact O-N 3.18Å; V584-Q587 PolarHBondContact O-N 2.99Å; V584-L588 HydrophobicContact CG1-CD1 3.72Å; V584-L588 HydrophobicContact CG1-CG 4.3Å; V584-L588 VanDerWaalsContact O-CB 3.28Å; V584-L588 WeakPolarHBondContact O-CB 3.23Å; V584-L588 VanDerWaalsContact O-CG 3.23Å; V584-L588 WeakPolarHBondContact O-CG 3.43Å; V584-L588 PolarHBondContact O-N 3Å; V584-W606 HydrophobicContact CB-CD2 4.4Å; V584-W606 HydrophobicContact CB-CG 4.33Å; V584-W606 HydrophobicContact CG1-CD2 3.66Å; V584-W606 HydrophobicContact CG1-CE3 4.05Å; V584-W606 HydrophobicContact CG1-CG 3.99Å; V584-W606 HydrophobicContact CG1-CZ2 4.21Å; V584-W606 HydrophobicContact CG1-CZ3 4.49Å; V584-W606 HydrophobicContact CG2-CB 3.89Å; V584-W606 HydrophobicContact CG2-CD2 4Å; V584-W606 HydrophobicContact CG2-CE3 4.07Å; V584-W606 HydrophobicContact CG2-CG 3.92Å; V584-V633 HydrophobicContact CG1-CG1 4.21Å; V584-V633 HydrophobicContact CG2-CG1 4.13Å; V584-T637 HydrophobicContact CB-CG2 3.91Å; V584-T637 HydrophobicContact CG1-CG2 3.77Å; V584-T637 VanDerWaalsContact CG1-OG1 3.32Å; V584-T637 WeakPolarHBondContact CG1-OG1 3.36Å
585	R	97.1	Very high	94.3	Very high	50 Å²	50	33 Å²	33	19%	0.189	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-43.4	174.5	-83.7	172.8	69.2	-165.8	-2	113.3	I447 N448 E451 N581 P582 I583 L588 L589	I447-R585 HydrophobicContact CG2-CB 4.33Å; N448-R585 PolarHBondContact OD1-NH2 2.68Å; E451-R585 VanDerWaalsContact CD-NH2 3.31Å; E451-R585 VanDerWaalsContact OE1-CB 3.3Å; E451-R585 WeakPolarHBondContact OE1-CB 3.39Å; E451-R585 IonicContact OE1-CZ 3.49Å; E451-R585 IonicContact OE1-NE 2.96Å; E451-R585 PolarHBondContact OE1-NE 3.13Å; E451-R585 IonicContact OE1-NH2 2.63Å; E451-R585 PolarHBondContact OE1-NH2 2.96Å; E451-R585 IonicContact OE2-CZ 2.73Å; E451-R585 IonicContact OE2-NE 3.83Å; E451-R585 PolarHBondContact OE2-NE 3.36Å; E451-R585 IonicContact OE2-NH2 2.66Å; E451-R585 PolarHBondContact OE2-NH2 3.22Å; N581-R585 VanDerWaalsContact O-CB 3.23Å; N581-R585 WeakPolarHBondContact O-CB 3.18Å; N581-R585 VanDerWaalsContact O-CG 3.27Å; N581-R585 WeakPolarHBondContact O-CG 3.39Å; N581-R585 PolarHBondContact O-N 3Å; N581-R585 WeakPolarHBondContact OD1-CD 3.32Å; P582-R585 PolarHBondContact O-N 2.85Å; I583-R585 VanDerWaalsContact C-N 3.32Å; I583-R585 PolarHBondContact O-N 3.03Å; R585-L588 CarbonylContact O-C 3.54Å; R585-L588 PolarHBondContact O-N 3.28Å; R585-L589 PolarHBondContact O-N 2.69Å
586	H	96.4	Very high	92.9	Very high	40 Å²	40	35.9 Å²	35.9	19%	0.185	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-47	174	173.6	-92.3	0	0	0	112.2	I447 A535 F539 P582 I583 L589	I447-H586 HydrophobicContact CD1-CB 3.99Å; I447-H586 HydrophobicContact CG1-CB 4.18Å; A535-H586 PolarHBondContact O-NE2 3.24Å; F539-H586 AromaticContact CD2-CE1 3.88Å; F539-H586 AromaticContact CD2-ND1 3.96Å; F539-H586 AromaticContact CD2-NE2 3.92Å; F539-H586 HydrophobicContact CE2-CB 4.03Å; F539-H586 AromaticContact CE2-CD2 3.95Å; F539-H586 AromaticContact CE2-CG 3.73Å; F539-H586 AromaticContact CE2-ND1 3.99Å; P582-H586 WeakPolarHBondContact O-CB 3.14Å; P582-H586 PolarHBondContact O-N 3.28Å; I583-H586 PolarHBondContact O-N 3.14Å; H586-L589 WeakPolarHBondContact O-CB 3.48Å; H586-L589 PolarHBondContact O-N 2.77Å
587	Q	94.4	Very high	90.5	Very high	44 Å²	44	43.4 Å²	43.4	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-37.3	176.2	-67.3	-176.5	24.4	0	0	112.4	I583 V584 L589	I583-Q587 WeakPolarHBondContact O-CG 3.23Å; I583-Q587 PolarHBondContact O-N 3.47Å; V584-Q587 PolarHBondContact O-N 2.99Å; Q587-L589 VanDerWaalsContact C-N 3.25Å; Q587-L589 PolarHBondContact O-N 3.26Å
588	L	94.5	Very high	88.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-73.1	-8.6	174.9	-74.1	171.8	0	0	0	114	V584 R585 M590 W591 F601 L604 L638 K641	V584-L588 HydrophobicContact CG1-CD1 3.72Å; V584-L588 HydrophobicContact CG1-CG 4.3Å; V584-L588 VanDerWaalsContact O-CB 3.28Å; V584-L588 WeakPolarHBondContact O-CB 3.23Å; V584-L588 VanDerWaalsContact O-CG 3.23Å; V584-L588 WeakPolarHBondContact O-CG 3.43Å; V584-L588 PolarHBondContact O-N 3Å; R585-L588 CarbonylContact O-C 3.54Å; R585-L588 PolarHBondContact O-N 3.28Å; L588-M590 VanDerWaalsContact C-N 3.28Å; L588-M590 PolarHBondContact O-N 3.46Å; L588-W591 HydrophobicContact CD2-CB 4.19Å; L588-W591 HydrophobicContact CD2-CD2 4.17Å; L588-W591 HydrophobicContact CD2-CE3 3.9Å; L588-W591 HydrophobicContact CD2-CG 4.3Å; L588-W591 WeakPolarHBondContact O-CB 3.38Å; L588-W591 PolarHBondContact O-N 3.41Å; L588-F601 HydrophobicContact CD2-CB 4.16Å; L588-L604 HydrophobicContact CD2-CD1 3.58Å; L588-L604 HydrophobicContact CG-CD1 4.27Å; L588-L638 HydrophobicContact CD1-CD1 3.83Å; L588-L638 HydrophobicContact CD2-CD1 3.51Å; L588-L638 HydrophobicContact CG-CD1 4.36Å; L588-K641 HydrophobicContact CB-CD 3.93Å; L588-K641 WeakPolarHBondContact O-CE 3.32Å; L588-K641 PolarHBondContact O-NZ 2.7Å
589	L	93.2	Very high	86.6	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-44.5	-172.3	-176.4	68.8	0	0	0	112.1	L450 E451 I531 A535 R585 H586 Q587 K641	L450-L589 HydrophobicContact CB-CD2 4.07Å; E451-L589 HydrophobicContact CB-CD1 4.24Å; E451-L589 HydrophobicContact CG-CD1 3.57Å; I531-L589 HydrophobicContact CG2-CD2 4.43Å; A535-L589 HydrophobicContact CB-CD2 3.55Å; R585-L589 PolarHBondContact O-N 2.69Å; H586-L589 WeakPolarHBondContact O-CB 3.48Å; H586-L589 PolarHBondContact O-N 2.77Å; Q587-L589 VanDerWaalsContact C-N 3.25Å; Q587-L589 PolarHBondContact O-N 3.26Å; L589-K641 PolarHBondContact O-NZ 2.98Å; L589-K641 VanDerWaalsContact O-NZ 3.15Å
590	M	89.9	Confident	85.8	Confident	66 Å²	66	45.3 Å²	45.3	33%	0.325	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.7	179.9	-62.9	-66	103	0	0	114.6	M454 I528 I531 Q532 L588	M454-M590 HydrophobicContact CE-CE 3.54Å; I528-M590 HydrophobicContact CG2-SD 4.49Å; I531-M590 HydrophobicContact CG2-CE 4.24Å; Q532-M590 HydrophobicContact CB-CE 4.29Å; Q532-M590 HydrophobicContact CB-SD 3.51Å; Q532-M590 VanDerWaalsContact CB-SD 3.51Å; Q532-M590 HydrophobicContact CG-CG 3.92Å; Q532-M590 HydrophobicContact CG-SD 3.53Å; Q532-M590 VanDerWaalsContact CG-SD 3.53Å; L588-M590 VanDerWaalsContact C-N 3.28Å; L588-M590 PolarHBondContact O-N 3.46Å
591	W	92.8	Very high	85.4	Confident	26 Å²	26	45.3 Å²	45.3	10%	0.098	25%	0.253	C	S	.	.			trans	-69.9	144.6	178.6	-179.8	72.5	0	0	0	110.7	L588 P593 G599 F601 L638 K641 M642 V664	L588-W591 HydrophobicContact CD2-CB 4.19Å; L588-W591 HydrophobicContact CD2-CD2 4.17Å; L588-W591 HydrophobicContact CD2-CE3 3.9Å; L588-W591 HydrophobicContact CD2-CG 4.3Å; L588-W591 WeakPolarHBondContact O-CB 3.38Å; L588-W591 PolarHBondContact O-N 3.41Å; W591-P593 HydrophobicContact CH2-CB 3.68Å; W591-P593 HydrophobicContact CH2-CG 4.26Å; W591-P593 HydrophobicContact CZ2-CB 4.07Å; W591-P593 HydrophobicContact CZ3-CB 4.13Å; W591-P593 HydrophobicContact CZ3-CG 4.2Å; W591-G599 PolarHBondContact NE1-O 2.96Å; W591-G599 VanDerWaalsContact NE1-O 3.12Å; W591-F601 HydrophobicContact CD2-CB 4.2Å; W591-F601 HydrophobicContact CG-CB 4.49Å; W591-F601 HydrophobicContact CH2-CD1 4.26Å; W591-F601 HydrophobicContact CZ2-CB 4.18Å; W591-F601 AromaticContact CZ2-CD1 3.81Å; W591-F601 HydrophobicContact CZ2-CD1 3.81Å; W591-F601 HydrophobicContact CZ2-CG 4.44Å; W591-L638 HydrophobicContact CE3-CD1 3.87Å; W591-L638 HydrophobicContact CH2-CD1 3.79Å; W591-L638 HydrophobicContact CH2-CG 4.24Å; W591-L638 HydrophobicContact CZ3-CD1 3.4Å; W591-L638 VanDerWaalsContact CZ3-CD1 3.4Å; W591-L638 HydrophobicContact CZ3-CG 4.09Å; W591-K641 HydrophobicContact CE3-CD 4.12Å; W591-K641 WeakPolarHBondContact O-CE 3.09Å; W591-K641 PolarHBondContact O-NZ 2.87Å; W591-M642 HydrophobicContact CH2-CG 4.04Å; W591-M642 HydrophobicContact CH2-SD 4.21Å; W591-M642 HydrophobicContact CZ3-CG 4.01Å; W591-V664 HydrophobicContact CH2-CG1 4.16Å; W591-V664 HydrophobicContact CZ2-CG1 4.26Å; W591-V664 HydrophobicContact CZ2-CG2 4.41Å
592	N	90.9	Very high	85.1	Confident	38 Å²	38	45 Å²	45	20%	0.203	25%	0.251	C	S	.	.			trans	-140.5	110	-177.2	-174.5	-22.3	0	0	0	110.7	L594 K595	N592-L594 PolarHBondContact O-N 2.96Å; N592-L594 VanDerWaalsContact OD1-CB 3.3Å; N592-L594 WeakPolarHBondContact OD1-CB 3.48Å; N592-L594 PolarHBondContact OD1-N 3.12Å; N592-K595 PolarHBondContact O-N 2.87Å
593	P	92.3	Very high	84.8	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.019	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.8	-178.9	27.7	-36	0	0	0	114.6	W591 M642 H645 C660 L661	W591-P593 HydrophobicContact CH2-CB 3.68Å; W591-P593 HydrophobicContact CH2-CG 4.26Å; W591-P593 HydrophobicContact CZ2-CB 4.07Å; W591-P593 HydrophobicContact CZ3-CB 4.13Å; W591-P593 HydrophobicContact CZ3-CG 4.2Å; P593-M642 HydrophobicContact CB-CG 4.34Å; P593-M642 HydrophobicContact CG-CG 4.26Å; P593-H645 HydrophobicContact CG-CB 3.98Å; P593-C660 CarbonylContact O-C 3.55Å; P593-C660 VanDerWaalsContact O-CB 3.23Å; P593-C660 WeakPolarHBondContact O-CB 3.42Å; P593-L661 HydrophobicContact CB-CD1 4.1Å; P593-L661 HydrophobicContact CG-CD1 4.48Å; P593-L661 PolarHBondContact O-N 3.04Å
594	L	91.8	Very high	84.6	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.4	-177	-48.6	-176.8	0	0	0	113.5	N592 H645 V649 W650 Q657 C660 L661	N592-L594 PolarHBondContact O-N 2.96Å; N592-L594 VanDerWaalsContact OD1-CB 3.3Å; N592-L594 WeakPolarHBondContact OD1-CB 3.48Å; N592-L594 PolarHBondContact OD1-N 3.12Å; L594-H645 HydrophobicContact CD1-CB 4.43Å; L594-H645 HydrophobicContact CG-CB 4.47Å; L594-V649 HydrophobicContact CD1-CB 3.88Å; L594-V649 HydrophobicContact CD1-CG1 3.73Å; L594-W650 HydrophobicContact CD1-CB 4.12Å; L594-W650 HydrophobicContact CD2-CB 4.17Å; L594-W650 HydrophobicContact CD2-CG 4.41Å; L594-Q657 HydrophobicContact CB-CB 4.09Å; L594-Q657 HydrophobicContact CB-CG 3.97Å; L594-Q657 HydrophobicContact CD2-CB 4.49Å; L594-C660 PolarHBondContact O-SG 3.48Å; L594-C660 VanDerWaalsContact O-SG 3.36Å; L594-L661 HydrophobicContact CD2-CB 3.95Å; L594-L661 HydrophobicContact CD2-CD1 4.25Å; L594-L661 HydrophobicContact CD2-CD2 3.93Å; L594-L661 HydrophobicContact CD2-CG 4.27Å
595	K	86.1	Confident	84.4	Confident	109 Å²	109	55.8 Å²	55.8	47%	0.474	31%	0.313	S	S	.	.			trans	-120.2	132.4	-179.7	-69.6	-169.9	175.1	-173.4	0	110.8	E521 N592 I597	E521-K595 IonicContact OE1-NZ 2.72Å; E521-K595 PolarHBondContact OE1-NZ 3.29Å; N592-K595 PolarHBondContact O-N 2.87Å; K595-I597 PolarHBondContact O-N 3.18Å
596	D	64.3	Low	84.3	Confident	120 Å²	120	53.4 Å²	53.4	64%	0.642	30%	0.304	S	S	*	.			trans	-84.5	9.9	-172.6	-145.6	10.8	0	0	0	113.8	Q656	D596-Q656 PolarHBondContact OD2-NE2 3.05Å
597	I	45.3	Very low	84.3	Confident	160 Å²	160	51.9 Å²	51.9	82%	0.821	30%	0.297	S	S	*	.	S	Bend	trans	-130.7	107.3	-162.1	-52.3	176.8	0	0	0	109.2	K595	K595-I597 PolarHBondContact O-N 3.18Å
598	G	48.3	Very low	84.3	Confident	87 Å²	87	53.2 Å²	53.2	90%	0.897	31%	0.308	S	S	*	.	S	Bend	trans	118.7	-1.5	161.2	0	0	0	0	0	117.9
599	G	58.5	Low	84.3	Confident	42 Å²	42	53.6 Å²	53.6	43%	0.433	31%	0.311	S	S	.	.			trans	162.2	115.5	169.7	0	0	0	0	0	115.9	W591	W591-G599 PolarHBondContact NE1-O 2.96Å; W591-G599 VanDerWaalsContact NE1-O 3.12Å
600	E	79.8	Confident	84.4	Confident	106 Å²	106	53.2 Å²	53.2	50%	0.495	31%	0.309	S	S	.	.			trans	-53.9	139.6	151	-81.6	162.4	-178.5	0	0	110	E602 N603	E600-E602 VanDerWaalsContact C-OE2 3.25Å; E600-E602 WeakPolarHBondContact CA-OE2 3.4Å; E600-E602 HydrophobicContact CB-CB 4.26Å; E600-E602 WeakPolarHBondContact CB-OE2 3.22Å; E600-E602 PolarHBondContact O-N 2.87Å; E600-N603 WeakPolarHBondContact CB-ND2 3.4Å; E600-N603 PolarHBondContact O-N 3.44Å; E600-N603 VanDerWaalsContact O-N 3.11Å
601	F	89.1	Confident	84.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.5	177.9	69.4	-95.9	0	0	0	111.5	L588 W591 N603 L604 W606 F607 L638 V664 L668 Y672	L588-F601 HydrophobicContact CD2-CB 4.16Å; W591-F601 HydrophobicContact CD2-CB 4.2Å; W591-F601 HydrophobicContact CG-CB 4.49Å; W591-F601 HydrophobicContact CH2-CD1 4.26Å; W591-F601 HydrophobicContact CZ2-CB 4.18Å; W591-F601 AromaticContact CZ2-CD1 3.81Å; W591-F601 HydrophobicContact CZ2-CD1 3.81Å; W591-F601 HydrophobicContact CZ2-CG 4.44Å; F601-N603 PolarHBondContact O-N 3.37Å; F601-L604 HydrophobicContact CB-CD1 4.23Å; F601-L604 VanDerWaalsContact O-CB 3.27Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 WeakPolarHBondContact O-CG 3.39Å; F601-L604 PolarHBondContact O-N 3.42Å; F601-W606 HydrophobicContact CD2-CH2 4.21Å; F601-W606 AromaticContact CD2-CZ2 3.86Å; F601-W606 HydrophobicContact CD2-CZ2 3.86Å; F601-F607 HydrophobicContact CD2-CD2 4.12Å; F601-F607 AromaticContact CE2-CD2 3.87Å; F601-F607 HydrophobicContact CE2-CD2 3.87Å; F601-F607 AromaticContact CE2-CE2 3.98Å; F601-F607 HydrophobicContact CE2-CE2 3.98Å; F601-L638 HydrophobicContact CB-CD1 4.11Å; F601-L638 HydrophobicContact CD1-CD1 4.31Å; F601-L638 HydrophobicContact CD1-CD2 3.76Å; F601-L638 HydrophobicContact CD2-CD1 4.39Å; F601-L638 HydrophobicContact CD2-CD2 4Å; F601-L638 HydrophobicContact CE1-CD2 3.66Å; F601-L638 HydrophobicContact CE2-CD2 3.91Å; F601-L638 HydrophobicContact CG-CD1 4Å; F601-L638 HydrophobicContact CG-CD2 3.95Å; F601-L638 HydrophobicContact CZ-CD2 3.75Å; F601-V664 HydrophobicContact CE1-CG1 4.37Å; F601-L668 HydrophobicContact CE1-CD2 4.1Å; F601-L668 HydrophobicContact CZ-CD2 3.69Å; F601-Y672 HydrophobicContact CZ-CE2 4.23Å
602	E	91	Very high	84.5	Confident	26 Å²	26	56 Å²	56	12%	0.121	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-57.4	-26.5	173.9	-58.1	91	143.4	0	0	112.3	E600 F607 R667	E600-E602 VanDerWaalsContact C-OE2 3.25Å; E600-E602 WeakPolarHBondContact CA-OE2 3.4Å; E600-E602 HydrophobicContact CB-CB 4.26Å; E600-E602 WeakPolarHBondContact CB-OE2 3.22Å; E600-E602 PolarHBondContact O-N 2.87Å; E602-F607 HydrophobicContact CB-CD1 4.31Å; E602-F607 HydrophobicContact CB-CE1 4.38Å; E602-F607 HydrophobicContact CG-CE2 4.47Å; E602-F607 HydrophobicContact CG-CZ 4.48Å; E602-F607 VanDerWaalsContact O-CD1 3.23Å; E602-F607 WeakPolarHBondContact O-CD1 3.4Å; E602-R667 IonicContact OE1-CZ 2.68Å; E602-R667 IonicContact OE1-NE 3.65Å; E602-R667 PolarHBondContact OE1-NE 3.2Å; E602-R667 IonicContact OE1-NH2 2.69Å; E602-R667 PolarHBondContact OE1-NH2 3.2Å; E602-R667 IonicContact OE2-NH2 2.85Å; E602-R667 PolarHBondContact OE2-NH2 3.36Å
603	N	90.9	Very high	84.6	Confident	117 Å²	117	54.4 Å²	54.4	63%	0.626	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-82.6	-5.4	175.1	-71.8	-81.8	0	0	0	114.2	E600 F601	E600-N603 WeakPolarHBondContact CB-ND2 3.4Å; E600-N603 PolarHBondContact O-N 3.44Å; E600-N603 VanDerWaalsContact O-N 3.11Å; F601-N603 PolarHBondContact O-N 3.37Å
604	L	92.2	Very high	84.5	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.199	32%	0.318	C	S	.	.	S	Bend	trans	-78.9	141.1	-177.4	-63.3	170.9	0	0	0	110.9	L588 F601 W606 F607	L588-L604 HydrophobicContact CD2-CD1 3.58Å; L588-L604 HydrophobicContact CG-CD1 4.27Å; F601-L604 HydrophobicContact CB-CD1 4.23Å; F601-L604 VanDerWaalsContact O-CB 3.27Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 WeakPolarHBondContact O-CG 3.39Å; F601-L604 PolarHBondContact O-N 3.42Å; L604-W606 PolarHBondContact O-N 3.18Å; L604-F607 WeakPolarHBondContact O-CB 3.35Å; L604-F607 PolarHBondContact O-N 3.1Å
605	P	93.6	Very high	84.1	Confident	88 Å²	88	59.4 Å²	59.4	57%	0.571	34%	0.342	S	S	*	.	H	α-helix	trans	-54.2	-30.4	-174.4	-29.5	35.4	0	0	0	115.5	F607 A609	P605-F607 VanDerWaalsContact C-N 3.33Å; P605-F607 PolarHBondContact O-N 3.08Å; P605-A609 VanDerWaalsContact O-CB 3.28Å; P605-A609 WeakPolarHBondContact O-CB 3.22Å; P605-A609 PolarHBondContact O-N 2.83Å
606	W	95.8	Very high	83.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-35.6	175	75.8	-94.1	0	0	0	113.3	V549 V584 F601 L604 V610 L630 V633 I634	V549-W606 HydrophobicContact CB-CB 4.47Å; V549-W606 HydrophobicContact CG1-CB 4.47Å; V549-W606 HydrophobicContact CG2-CB 3.89Å; V584-W606 HydrophobicContact CB-CD2 4.4Å; V584-W606 HydrophobicContact CB-CG 4.33Å; V584-W606 HydrophobicContact CG1-CD2 3.66Å; V584-W606 HydrophobicContact CG1-CE3 4.05Å; V584-W606 HydrophobicContact CG1-CG 3.99Å; V584-W606 HydrophobicContact CG1-CZ2 4.21Å; V584-W606 HydrophobicContact CG1-CZ3 4.49Å; V584-W606 HydrophobicContact CG2-CB 3.89Å; V584-W606 HydrophobicContact CG2-CD2 4Å; V584-W606 HydrophobicContact CG2-CE3 4.07Å; V584-W606 HydrophobicContact CG2-CG 3.92Å; F601-W606 HydrophobicContact CD2-CH2 4.21Å; F601-W606 AromaticContact CD2-CZ2 3.86Å; F601-W606 HydrophobicContact CD2-CZ2 3.86Å; L604-W606 PolarHBondContact O-N 3.18Å; W606-V610 HydrophobicContact CE3-CG2 4.37Å; W606-V610 VanDerWaalsContact O-CG2 3.29Å; W606-V610 WeakPolarHBondContact O-CG2 3.29Å; W606-V610 PolarHBondContact O-N 2.96Å; W606-L630 HydrophobicContact CZ3-CD1 4.24Å; W606-V633 HydrophobicContact CE3-CG1 3.83Å; W606-V633 HydrophobicContact CH2-CG1 4.23Å; W606-V633 HydrophobicContact CZ3-CB 4.33Å; W606-V633 HydrophobicContact CZ3-CG1 3.47Å; W606-V633 VanDerWaalsContact CZ3-CG1 3.47Å; W606-I634 HydrophobicContact CH2-CG1 4.13Å
607	F	95.1	Very high	83.9	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-58.9	-173.7	178	-87.6	0	0	0	109.9	F601 E602 L604 P605 A609 V610 E611 L630 Y672	F601-F607 HydrophobicContact CD2-CD2 4.12Å; F601-F607 AromaticContact CE2-CD2 3.87Å; F601-F607 HydrophobicContact CE2-CD2 3.87Å; F601-F607 AromaticContact CE2-CE2 3.98Å; F601-F607 HydrophobicContact CE2-CE2 3.98Å; E602-F607 HydrophobicContact CB-CD1 4.31Å; E602-F607 HydrophobicContact CB-CE1 4.38Å; E602-F607 HydrophobicContact CG-CE2 4.47Å; E602-F607 HydrophobicContact CG-CZ 4.48Å; E602-F607 VanDerWaalsContact O-CD1 3.23Å; E602-F607 WeakPolarHBondContact O-CD1 3.4Å; L604-F607 WeakPolarHBondContact O-CB 3.35Å; L604-F607 PolarHBondContact O-N 3.1Å; P605-F607 VanDerWaalsContact C-N 3.33Å; P605-F607 PolarHBondContact O-N 3.08Å; F607-A609 PolarHBondContact O-N 3.26Å; F607-V610 PolarHBondContact O-N 3.25Å; F607-V610 VanDerWaalsContact O-N 3.11Å; F607-E611 HydrophobicContact CE1-CB 4.32Å; F607-E611 WeakPolarHBondContact O-CB 3.3Å; F607-E611 PolarHBondContact O-N 2.89Å; F607-L630 HydrophobicContact CD2-CD1 4.02Å; F607-L630 HydrophobicContact CE2-CD1 3.9Å; F607-L630 HydrophobicContact CE2-CD2 4.09Å; F607-L630 HydrophobicContact CE2-CG 4.43Å; F607-L630 HydrophobicContact CZ-CD2 4.14Å; F607-Y672 AromaticContact CE2-CE1 3.73Å; F607-Y672 HydrophobicContact CE2-CE1 3.73Å; F607-Y672 AromaticContact CE2-CZ 3.84Å; F607-Y672 WeakPolarHBondContact CE2-OH 3.48Å; F607-Y672 AromaticContact CZ-CE1 3.77Å; F607-Y672 HydrophobicContact CZ-CE1 3.77Å; F607-Y672 AromaticContact CZ-CZ 3.87Å; F607-Y672 WeakPolarHBondContact CZ-OH 3.39Å
608	T	94.1	Very high	84.8	Confident	71 Å²	71	54.4 Å²	54.4	44%	0.436	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-33.2	178.9	-37.8	0	0	0	0	112	T612	T608-T612 VanDerWaalsContact O-CB 3.26Å; T608-T612 WeakPolarHBondContact O-CB 3.43Å; T608-T612 PolarHBondContact O-N 3.17Å; T608-T612 PolarHBondContact O-OG1 3.49Å
609	A	95.3	Very high	85.8	Confident	10 Å²	10	51.2 Å²	51.2	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-45.1	176.5	0	0	0	0	0	112.8	V549 K550 L553 P605 F607 F613	V549-A609 HydrophobicContact CB-CB 4.11Å; V549-A609 HydrophobicContact CG1-CB 3.8Å; K550-A609 HydrophobicContact CB-CB 4.03Å; L553-A609 HydrophobicContact CD1-CB 4.44Å; L553-A609 WeakPolarHBondContact CD1-O 3.38Å; P605-A609 VanDerWaalsContact O-CB 3.28Å; P605-A609 WeakPolarHBondContact O-CB 3.22Å; P605-A609 PolarHBondContact O-N 2.83Å; F607-A609 PolarHBondContact O-N 3.26Å; A609-F613 WeakPolarHBondContact O-CB 3.49Å; A609-F613 PolarHBondContact O-N 3.04Å
610	V	95.4	Very high	86.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-41.2	176.8	176.4	0	0	0	0	110.9	V549 L553 L580 W606 F607 F613 C614 T629 L630 V633	V549-V610 HydrophobicContact CG1-CG2 4.03Å; L553-V610 HydrophobicContact CD1-CB 4.46Å; L553-V610 HydrophobicContact CD1-CG2 3.93Å; L580-V610 HydrophobicContact CD1-CG2 3.68Å; W606-V610 HydrophobicContact CE3-CG2 4.37Å; W606-V610 VanDerWaalsContact O-CG2 3.29Å; W606-V610 WeakPolarHBondContact O-CG2 3.29Å; W606-V610 PolarHBondContact O-N 2.96Å; F607-V610 PolarHBondContact O-N 3.25Å; F607-V610 VanDerWaalsContact O-N 3.11Å; V610-F613 WeakPolarHBondContact O-CB 3.32Å; V610-F613 PolarHBondContact O-N 3.27Å; V610-C614 PolarHBondContact O-N 3.4Å; V610-C614 PolarHBondContact O-SG 3.03Å; V610-T629 HydrophobicContact CG1-CG2 4.47Å; V610-L630 HydrophobicContact CB-CD1 4.08Å; V610-L630 HydrophobicContact CG1-CB 3.96Å; V610-L630 HydrophobicContact CG1-CD1 3.75Å; V610-L630 HydrophobicContact CG1-CG 4.48Å; V610-V633 HydrophobicContact CG1-CG2 4.25Å; V610-V633 HydrophobicContact CG2-CG2 4.43Å
611	E	93.1	Very high	85.4	Confident	76 Å²	76	61.9 Å²	61.9	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-50	174.7	179.7	-177	-137.4	0	0	111.6	F607 F613 C614 H615 L630	F607-E611 HydrophobicContact CE1-CB 4.32Å; F607-E611 WeakPolarHBondContact O-CB 3.3Å; F607-E611 PolarHBondContact O-N 2.89Å; E611-F613 PolarHBondContact O-N 3.3Å; E611-C614 PolarHBondContact O-N 3.21Å; E611-H615 PolarHBondContact O-N 3.06Å; E611-L630 HydrophobicContact CB-CD2 4.23Å
612	T	92.2	Very high	84.6	Confident	73 Å²	73	62.9 Å²	62.9	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-38.1	176.4	-58.7	0	0	0	0	111.6	T608 C614 G616	T608-T612 VanDerWaalsContact O-CB 3.26Å; T608-T612 WeakPolarHBondContact O-CB 3.43Å; T608-T612 PolarHBondContact O-N 3.17Å; T608-T612 PolarHBondContact O-OG1 3.49Å; T612-C614 VanDerWaalsContact C-N 3.32Å; T612-C614 PolarHBondContact O-N 3.12Å; T612-G616 WeakPolarHBondContact O-CA 3.01Å; T612-G616 PolarHBondContact O-N 3.19Å
613	F	91.9	Very high	83.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-70.4	-24.2	177.1	178.8	-91.7	0	0	0	113.8	L553 F556 E557 R560 Y567 L576 A609 V610 E611	L553-F613 HydrophobicContact CB-CB 4.45Å; L553-F613 HydrophobicContact CB-CD2 3.91Å; L553-F613 HydrophobicContact CB-CE2 4.49Å; L553-F613 HydrophobicContact CB-CG 4.32Å; L553-F613 HydrophobicContact CD1-CB 3.92Å; L553-F613 HydrophobicContact CD1-CG 4.26Å; L553-F613 HydrophobicContact CD2-CB 4.47Å; L553-F613 HydrophobicContact CD2-CD1 4.07Å; L553-F613 HydrophobicContact CD2-CD2 3.95Å; L553-F613 HydrophobicContact CD2-CE1 4.27Å; L553-F613 HydrophobicContact CD2-CE2 4.14Å; L553-F613 HydrophobicContact CD2-CG 3.9Å; L553-F613 HydrophobicContact CD2-CZ 4.29Å; L553-F613 HydrophobicContact CG-CD2 4.39Å; L553-F613 HydrophobicContact CG-CG 4.4Å; F556-F613 HydrophobicContact CB-CE2 4.39Å; E557-F613 HydrophobicContact CB-CD2 4.18Å; E557-F613 HydrophobicContact CB-CE2 3.97Å; E557-F613 HydrophobicContact CG-CD2 4.41Å; E557-F613 HydrophobicContact CG-CE2 4.38Å; R560-F613 VanDerWaalsContact NH1-CE1 3.28Å; R560-F613 VanDerWaalsContact NH1-CZ 3.32Å; R560-F613 PolarHBondContact NH1-O 2.87Å; R560-F613 PolarHBondContact NH2-O 3.38Å; Y567-F613 WeakPolarHBondContact OH-CZ 3.23Å; L576-F613 HydrophobicContact CD1-CD1 4.39Å; L576-F613 HydrophobicContact CD1-CE1 3.46Å; L576-F613 VanDerWaalsContact CD1-CE1 3.46Å; L576-F613 HydrophobicContact CD1-CZ 3.56Å; A609-F613 WeakPolarHBondContact O-CB 3.49Å; A609-F613 PolarHBondContact O-N 3.04Å; V610-F613 WeakPolarHBondContact O-CB 3.32Å; V610-F613 PolarHBondContact O-N 3.27Å; E611-F613 PolarHBondContact O-N 3.3Å
614	C	90.3	Very high	83.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-91.3	-35	177.5	-60.7	0	0	0	0	113.1	V610 E611 T612 L622	V610-C614 PolarHBondContact O-N 3.4Å; V610-C614 PolarHBondContact O-SG 3.03Å; E611-C614 PolarHBondContact O-N 3.21Å; T612-C614 VanDerWaalsContact C-N 3.32Å; T612-C614 PolarHBondContact O-N 3.12Å; C614-L622 WeakPolarHBondContact O-CD1 3.39Å
615	H	84.4	Confident	83	Confident	111 Å²	111	67.5 Å²	67.5	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-136	2.6	-163.4	-55.5	132.6	0	0	0	115.2	E611	E611-H615 PolarHBondContact O-N 3.06Å
616	G	78.3	Confident	82.6	Confident	20 Å²	20	63.3 Å²	63.3	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	-64.1	171.4	177.1	0	0	0	0	0	114.9	T612 G618 H619	T612-G616 WeakPolarHBondContact O-CA 3.01Å; T612-G616 PolarHBondContact O-N 3.19Å; G616-G618 PolarHBondContact O-N 3.01Å; G616-H619 VanDerWaalsContact O-CB 3.31Å; G616-H619 WeakPolarHBondContact O-CB 2.89Å; G616-H619 PolarHBondContact O-CD2 2.91Å; G616-H619 VanDerWaalsContact O-CD2 3.27Å; G616-H619 PolarHBondContact O-N 2.94Å
617	H	67.9	Low	82.3	Confident	196 Å²	196	67.7 Å²	67.7	91%	0.907	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	134	-177.5	-63.8	-59	0	0	0	113.1
618	G	64.5	Low	82	Confident	67 Å²	67	71 Å²	71	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	2.4	-177.2	0	0	0	0	0	115.2	G616	G616-G618 PolarHBondContact O-N 3.01Å
619	H	68.6	Low	82	Confident	21 Å²	21	67.7 Å²	67.7	10%	0.097	35%	0.345	C	S	.	.			trans	-97.4	20.6	-176.7	-68.7	-42.2	0	0	0	114.9	E557 R560 R561 G616 E621 L622 R627	E557-H619 VanDerWaalsContact CD-NE2 3.27Å; E557-H619 IonicContact OE1-CE1 2.75Å; E557-H619 PolarHBondContact OE1-CE1 3.16Å; E557-H619 IonicContact OE1-NE2 2.89Å; E557-H619 PolarHBondContact OE1-NE2 2.98Å; R560-H619 PolarHBondContact NH2-CE1 2.79Å; R561-H619 PolarHBondContact NH2-CE1 3.21Å; R561-H619 VanDerWaalsContact NH2-CE1 3.29Å; G616-H619 VanDerWaalsContact O-CB 3.31Å; G616-H619 WeakPolarHBondContact O-CB 2.89Å; G616-H619 PolarHBondContact O-CD2 2.91Å; G616-H619 VanDerWaalsContact O-CD2 3.27Å; G616-H619 PolarHBondContact O-N 2.94Å; H619-E621 PolarHBondContact O-N 2.79Å; H619-L622 HydrophobicContact CB-CD1 3.59Å; H619-L622 HydrophobicContact CB-CG 3.71Å; H619-L622 PolarHBondContact O-N 3.15Å; H619-R627 PolarHBondContact O-NH2 3.41Å
620	E	64.6	Low	81.9	Confident	178 Å²	178	67.6 Å²	67.6	83%	0.832	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.7	175.8	-68.6	177.3	-147.9	0	0	113.2	R627	E620-R627 PolarHBondContact O-NH2 2.97Å
621	E	64.6	Low	81.8	Confident	194 Å²	194	69.1 Å²	69.1	91%	0.907	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3.9	179.9	-59.3	-170.7	155	0	0	114.5	H619	H619-E621 PolarHBondContact O-N 2.79Å
622	L	73.1	Confident	81.8	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.11	35%	0.347	C	S	.	.			trans	-61.5	141.9	-178	-75.1	-173.2	0	0	0	113.9	C614 H619 D626 R627	C614-L622 WeakPolarHBondContact O-CD1 3.39Å; H619-L622 HydrophobicContact CB-CD1 3.59Å; H619-L622 HydrophobicContact CB-CG 3.71Å; H619-L622 PolarHBondContact O-N 3.15Å; L622-D626 HydrophobicContact CB-CB 4.49Å; L622-D626 HydrophobicContact CD1-CB 4.33Å; L622-D626 HydrophobicContact CD2-CB 4.43Å; L622-R627 HydrophobicContact CB-CG 4.12Å; L622-R627 HydrophobicContact CD1-CG 4.43Å
623	E	76.5	Confident	82	Confident	101 Å²	101	63.9 Å²	63.9	47%	0.472	33%	0.326	S	S	.	.			trans	-59.6	151.5	166.8	-69.1	-161	168.3	0	0	111.8	H568 T625 D626 R627	H568-E623 IonicContact CD2-OE1 3.69Å; H568-E623 IonicContact CD2-OE2 2.98Å; H568-E623 PolarHBondContact CD2-OE2 3.41Å; H568-E623 IonicContact CG-OE2 3.99Å; H568-E623 IonicContact NE2-OE2 2.94Å; E623-T625 VanDerWaalsContact C-N 3.28Å; E623-T625 WeakPolarHBondContact CB-OG1 3.2Å; E623-T625 PolarHBondContact O-N 2.81Å; E623-T625 PolarHBondContact OE2-OG1 3.32Å; E623-D626 PolarHBondContact O-N 2.85Å; E623-D626 VanDerWaalsContact O-N 3.12Å; E623-R627 PolarHBondContact O-N 2.86Å
624	H	79.5	Confident	82.1	Confident	131 Å²	131	63.6 Å²	63.6	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-36.9	-177.6	-176.5	52.1	0	0	0	112.8	D626 R627 Q628	H624-D626 VanDerWaalsContact C-N 3.33Å; H624-D626 PolarHBondContact O-N 3.04Å; H624-R627 PolarHBondContact O-N 3.41Å; H624-Q628 PolarHBondContact NE2-NE2 3.22Å; H624-Q628 VanDerWaalsContact NE2-NE2 3.16Å; H624-Q628 WeakPolarHBondContact O-CB 3.25Å; H624-Q628 WeakPolarHBondContact O-CG 3.11Å; H624-Q628 PolarHBondContact O-N 2.89Å
625	T	83.5	Confident	82.4	Confident	46 Å²	46	64.9 Å²	64.9	28%	0.282	33%	0.331	S	S	.	.	H	α-helix	trans	-55.9	-42.6	173	37.3	0	0	0	0	112.8	E623 Q628 T629	E623-T625 VanDerWaalsContact C-N 3.28Å; E623-T625 WeakPolarHBondContact CB-OG1 3.2Å; E623-T625 PolarHBondContact O-N 2.81Å; E623-T625 PolarHBondContact OE2-OG1 3.32Å; T625-Q628 PolarHBondContact O-N 3.5Å; T625-T629 PolarHBondContact O-N 2.93Å
626	D	86.9	Confident	82.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-71.5	-41.6	-179.4	-88.3	49.4	0	0	0	111.7	R560 Y567 S573 L622 E623 H624 Q628 T629	R560-D626 WeakPolarHBondContact CD-OD2 3.42Å; R560-D626 IonicContact CZ-OD2 2.03Å; R560-D626 IonicContact NE-OD2 3.59Å; R560-D626 IonicContact NH1-OD2 2.84Å; R560-D626 PolarHBondContact NH1-OD2 3.15Å; Y567-D626 VanDerWaalsContact CE1-OD2 3.25Å; Y567-D626 WeakPolarHBondContact CE1-OD2 3.23Å; Y567-D626 VanDerWaalsContact CZ-OD2 3.32Å; Y567-D626 PolarHBondContact OH-OD2 2.87Å; S573-D626 WeakPolarHBondContact CB-OD1 3.38Å; S573-D626 PolarHBondContact OG-OD1 2.95Å; L622-D626 HydrophobicContact CB-CB 4.49Å; L622-D626 HydrophobicContact CD1-CB 4.33Å; L622-D626 HydrophobicContact CD2-CB 4.43Å; E623-D626 PolarHBondContact O-N 2.85Å; E623-D626 VanDerWaalsContact O-N 3.12Å; H624-D626 VanDerWaalsContact C-N 3.33Å; H624-D626 PolarHBondContact O-N 3.04Å; D626-Q628 VanDerWaalsContact C-N 3.29Å; D626-Q628 PolarHBondContact O-N 2.95Å; D626-T629 VanDerWaalsContact O-CB 3.24Å; D626-T629 WeakPolarHBondContact O-CB 3.24Å; D626-T629 PolarHBondContact O-N 3.09Å; D626-T629 PolarHBondContact O-OG1 3.44Å
627	R	88.2	Confident	83.6	Confident	92 Å²	92	62.4 Å²	62.4	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-36.8	172.9	-67.6	179.1	174.5	146.7	5.4	112.3	H619 E620 L622 E623 H624 T629	H619-R627 PolarHBondContact O-NH2 3.41Å; E620-R627 PolarHBondContact O-NH2 2.97Å; L622-R627 HydrophobicContact CB-CG 4.12Å; L622-R627 HydrophobicContact CD1-CG 4.43Å; E623-R627 PolarHBondContact O-N 2.86Å; H624-R627 PolarHBondContact O-N 3.41Å; R627-T629 PolarHBondContact O-N 3.48Å
628	Q	89.9	Confident	84.9	Confident	78 Å²	78	53.1 Å²	53.1	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.1	174.3	-74.6	180	-30.5	0	0	114.2	H624 T625 D626 L630 S631 N632	H624-Q628 PolarHBondContact NE2-NE2 3.22Å; H624-Q628 VanDerWaalsContact NE2-NE2 3.16Å; H624-Q628 WeakPolarHBondContact O-CB 3.25Å; H624-Q628 WeakPolarHBondContact O-CG 3.11Å; H624-Q628 PolarHBondContact O-N 2.89Å; T625-Q628 PolarHBondContact O-N 3.5Å; D626-Q628 VanDerWaalsContact C-N 3.29Å; D626-Q628 PolarHBondContact O-N 2.95Å; Q628-L630 VanDerWaalsContact C-N 3.32Å; Q628-L630 PolarHBondContact O-N 3.43Å; Q628-S631 PolarHBondContact O-N 2.97Å; Q628-N632 WeakPolarHBondContact O-CB 3.27Å; Q628-N632 PolarHBondContact O-N 2.83Å; Q628-N632 PolarHBondContact O-ND2 3.32Å
629	T	92.6	Very high	86.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-39.1	-179.2	-52.3	0	0	0	0	111.8	L576 P577 V610 T625 D626 R627 N632 V633	L576-T629 HydrophobicContact CB-CG2 3.99Å; L576-T629 HydrophobicContact CD1-CG2 4.28Å; P577-T629 HydrophobicContact CG-CG2 4.32Å; V610-T629 HydrophobicContact CG1-CG2 4.47Å; T625-T629 PolarHBondContact O-N 2.93Å; D626-T629 VanDerWaalsContact O-CB 3.24Å; D626-T629 WeakPolarHBondContact O-CB 3.24Å; D626-T629 PolarHBondContact O-N 3.09Å; D626-T629 PolarHBondContact O-OG1 3.44Å; R627-T629 PolarHBondContact O-N 3.48Å; T629-N632 PolarHBondContact O-N 3.45Å; T629-V633 WeakPolarHBondContact O-CG2 3.43Å; T629-V633 PolarHBondContact O-N 3.27Å
630	L	93.9	Very high	87.7	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-51.9	178.3	-178.7	60.1	0	0	0	112.3	W606 F607 V610 E611 Q628 N632 V633 I634 Y672	W606-L630 HydrophobicContact CZ3-CD1 4.24Å; F607-L630 HydrophobicContact CD2-CD1 4.02Å; F607-L630 HydrophobicContact CE2-CD1 3.9Å; F607-L630 HydrophobicContact CE2-CD2 4.09Å; F607-L630 HydrophobicContact CE2-CG 4.43Å; F607-L630 HydrophobicContact CZ-CD2 4.14Å; V610-L630 HydrophobicContact CB-CD1 4.08Å; V610-L630 HydrophobicContact CG1-CB 3.96Å; V610-L630 HydrophobicContact CG1-CD1 3.75Å; V610-L630 HydrophobicContact CG1-CG 4.48Å; E611-L630 HydrophobicContact CB-CD2 4.23Å; Q628-L630 VanDerWaalsContact C-N 3.32Å; Q628-L630 PolarHBondContact O-N 3.43Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 3.41Å; L630-V633 PolarHBondContact O-N 3.39Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 4.14Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 2.69Å; L630-Y672 HydrophobicContact CD2-CD1 4.38Å; L630-Y672 HydrophobicContact CD2-CE1 4.14Å
631	S	93.3	Very high	89.1	Confident	32 Å²	32	44.6 Å²	44.6	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-43.3	175	175.8	0	0	0	0	111.3	Q628 V633 I634 E635 I674	Q628-S631 PolarHBondContact O-N 2.97Å; S631-V633 PolarHBondContact O-N 3.31Å; S631-I634 PolarHBondContact O-N 3.42Å; S631-E635 PolarHBondContact O-N 2.9Å; S631-I674 WeakPolarHBondContact OG-CD1 3.31Å
632	N	93.4	Very high	90.6	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-28.7	174.7	-83.3	-78.4	0	0	0	114.1	P577 Q628 T629 L630 K636	P577-N632 HydrophobicContact CB-CB 4.2Å; P577-N632 HydrophobicContact CG-CB 3.59Å; Q628-N632 WeakPolarHBondContact O-CB 3.27Å; Q628-N632 PolarHBondContact O-N 2.83Å; Q628-N632 PolarHBondContact O-ND2 3.32Å; T629-N632 PolarHBondContact O-N 3.45Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 3.41Å; N632-K636 WeakPolarHBondContact O-CB 3.4Å; N632-K636 WeakPolarHBondContact O-CG 3.5Å; N632-K636 PolarHBondContact O-N 3.1Å
633	V	96	Very high	91.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-53.9	170.2	170.2	0	0	0	0	109.1	P577 V584 W606 V610 T629 L630 S631 E635 K636 T637	P577-V633 HydrophobicContact CB-CG2 4.15Å; P577-V633 HydrophobicContact CG-CG2 4.33Å; V584-V633 HydrophobicContact CG1-CG1 4.21Å; V584-V633 HydrophobicContact CG2-CG1 4.13Å; W606-V633 HydrophobicContact CE3-CG1 3.83Å; W606-V633 HydrophobicContact CH2-CG1 4.23Å; W606-V633 HydrophobicContact CZ3-CB 4.33Å; W606-V633 HydrophobicContact CZ3-CG1 3.47Å; W606-V633 VanDerWaalsContact CZ3-CG1 3.47Å; V610-V633 HydrophobicContact CG1-CG2 4.25Å; V610-V633 HydrophobicContact CG2-CG2 4.43Å; T629-V633 WeakPolarHBondContact O-CG2 3.43Å; T629-V633 PolarHBondContact O-N 3.27Å; L630-V633 PolarHBondContact O-N 3.39Å; S631-V633 PolarHBondContact O-N 3.31Å; V633-E635 VanDerWaalsContact C-N 3.32Å; V633-E635 PolarHBondContact O-N 3.33Å; V633-K636 CarbonylContact O-C 3.58Å; V633-K636 PolarHBondContact O-N 2.91Å; V633-T637 HydrophobicContact CG1-CG2 4.35Å; V633-T637 PolarHBondContact O-N 3.19Å; V633-T637 PolarHBondContact O-OG1 3.2Å
634	I	95.3	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-50.9	-49.2	-179.9	-69.8	168.1	0	0	0	111.4	W606 L630 S631 K636 L638 L639 L668 Y672 I674	W606-I634 HydrophobicContact CH2-CG1 4.13Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 4.14Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 2.69Å; S631-I634 PolarHBondContact O-N 3.42Å; I634-K636 VanDerWaalsContact C-N 3.28Å; I634-K636 PolarHBondContact O-N 3.03Å; I634-L638 HydrophobicContact CG2-CB 4.23Å; I634-L638 HydrophobicContact CG2-CD2 4.06Å; I634-L638 WeakPolarHBondContact O-CA 3.38Å; I634-L638 VanDerWaalsContact O-CB 3.29Å; I634-L638 WeakPolarHBondContact O-CB 3.45Å; I634-L638 PolarHBondContact O-N 2.78Å; I634-L639 PolarHBondContact O-N 2.89Å; I634-L639 VanDerWaalsContact O-N 3.07Å; I634-L668 HydrophobicContact CG2-CD2 3.73Å; I634-Y672 HydrophobicContact CD1-CD1 3.78Å; I634-Y672 HydrophobicContact CD1-CE1 4.13Å; I634-Y672 HydrophobicContact CD1-CG 4.05Å; I634-I674 HydrophobicContact CB-CD1 4.02Å; I634-I674 HydrophobicContact CG2-CD1 3.63Å; I634-I674 HydrophobicContact CG2-CG1 3.95Å
635	E	94.6	Very high	93.5	Very high	27 Å²	27	25.2 Å²	25.2	13%	0.126	13%	0.129	C	C	.	.	H	α-helix	trans	-59.4	-33.9	176.1	-83.3	-170.2	-134.3	0	0	114.4	S631 V633 P640 I674 S680 P682 V683	S631-E635 PolarHBondContact O-N 2.9Å; V633-E635 VanDerWaalsContact C-N 3.32Å; V633-E635 PolarHBondContact O-N 3.33Å; E635-P640 WeakPolarHBondContact O-CD 3.43Å; E635-I674 HydrophobicContact CG-CD1 4.23Å; E635-S680 VanDerWaalsContact CD-OG 3.22Å; E635-S680 WeakPolarHBondContact OE2-CB 3.41Å; E635-S680 PolarHBondContact OE2-OG 3.34Å; E635-P682 WeakPolarHBondContact O-CB 3.45Å; E635-P682 WeakPolarHBondContact O-CG 3.34Å; E635-V683 HydrophobicContact CG-CG2 4.47Å
636	K	93.1	Very high	94.2	Very high	75 Å²	75	23 Å²	23	33%	0.326	12%	0.116	S	C	.	.	H	α-helix	trans	-102.2	-10.1	-168.8	-54.1	-62.6	179.1	-58.6	0	113	N581 N632 V633 I634 P682	N581-K636 PolarHBondContact ND2-O 3.14Å; N632-K636 WeakPolarHBondContact O-CB 3.4Å; N632-K636 WeakPolarHBondContact O-CG 3.5Å; N632-K636 PolarHBondContact O-N 3.1Å; V633-K636 CarbonylContact O-C 3.58Å; V633-K636 PolarHBondContact O-N 2.91Å; I634-K636 VanDerWaalsContact C-N 3.28Å; I634-K636 PolarHBondContact O-N 3.03Å; K636-P682 HydrophobicContact CD-CG 4.14Å
637	T	94.8	Very high	94.6	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-123.8	-52	177	59.2	0	0	0	0	112.6	N581 V584 V633 K641	N581-T637 HydrophobicContact CB-CG2 4.24Å; N581-T637 WeakPolarHBondContact ND2-CG2 3.47Å; V584-T637 HydrophobicContact CB-CG2 3.91Å; V584-T637 HydrophobicContact CG1-CG2 3.77Å; V584-T637 VanDerWaalsContact CG1-OG1 3.32Å; V584-T637 WeakPolarHBondContact CG1-OG1 3.36Å; V633-T637 HydrophobicContact CG1-CG2 4.35Å; V633-T637 PolarHBondContact O-N 3.19Å; V633-T637 PolarHBondContact O-OG1 3.2Å; T637-K641 PolarHBondContact O-N 2.94Å
638	L	95.3	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-74.5	-50.8	-172.5	-163.3	75.1	0	0	0	111.5	L588 W591 F601 I634 K641 M642 L668	L588-L638 HydrophobicContact CD1-CD1 3.83Å; L588-L638 HydrophobicContact CD2-CD1 3.51Å; L588-L638 HydrophobicContact CG-CD1 4.36Å; W591-L638 HydrophobicContact CE3-CD1 3.87Å; W591-L638 HydrophobicContact CH2-CD1 3.79Å; W591-L638 HydrophobicContact CH2-CG 4.24Å; W591-L638 HydrophobicContact CZ3-CD1 3.4Å; W591-L638 VanDerWaalsContact CZ3-CD1 3.4Å; W591-L638 HydrophobicContact CZ3-CG 4.09Å; F601-L638 HydrophobicContact CB-CD1 4.11Å; F601-L638 HydrophobicContact CD1-CD1 4.31Å; F601-L638 HydrophobicContact CD1-CD2 3.76Å; F601-L638 HydrophobicContact CD2-CD1 4.39Å; F601-L638 HydrophobicContact CD2-CD2 4Å; F601-L638 HydrophobicContact CE1-CD2 3.66Å; F601-L638 HydrophobicContact CE2-CD2 3.91Å; F601-L638 HydrophobicContact CG-CD1 4Å; F601-L638 HydrophobicContact CG-CD2 3.95Å; F601-L638 HydrophobicContact CZ-CD2 3.75Å; I634-L638 HydrophobicContact CG2-CB 4.23Å; I634-L638 HydrophobicContact CG2-CD2 4.06Å; I634-L638 WeakPolarHBondContact O-CA 3.38Å; I634-L638 VanDerWaalsContact O-CB 3.29Å; I634-L638 WeakPolarHBondContact O-CB 3.45Å; I634-L638 PolarHBondContact O-N 2.78Å; L638-K641 PolarHBondContact O-N 3.49Å; L638-K641 VanDerWaalsContact O-N 3.12Å; L638-M642 HydrophobicContact CD2-SD 4.29Å; L638-M642 HydrophobicContact CG-SD 4.12Å; L638-M642 WeakPolarHBondContact O-CG 3.44Å; L638-M642 PolarHBondContact O-N 3.11Å; L638-L668 HydrophobicContact CD2-CD1 4.01Å; L638-L668 HydrophobicContact CD2-CD2 4.04Å
639	L	95.8	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-43.6	179.4	-74.7	-174.6	0	0	0	113.7	I634 K641 M642 T643 L668 I674 F675 P682 V683 F686	I634-L639 PolarHBondContact O-N 2.89Å; I634-L639 VanDerWaalsContact O-N 3.07Å; L639-K641 VanDerWaalsContact C-N 3.3Å; L639-K641 PolarHBondContact O-N 3.34Å; L639-M642 HydrophobicContact CD2-SD 4.21Å; L639-M642 PolarHBondContact O-N 3.01Å; L639-M642 VanDerWaalsContact O-N 3.16Å; L639-T643 WeakPolarHBondContact O-CB 3.46Å; L639-T643 PolarHBondContact O-N 2.92Å; L639-T643 PolarHBondContact O-OG1 3.39Å; L639-L668 HydrophobicContact CD2-CD1 4.21Å; L639-I674 HydrophobicContact CD1-CG2 3.7Å; L639-I674 HydrophobicContact CD2-CG2 4.49Å; L639-I674 HydrophobicContact CG-CG2 4.32Å; L639-F675 HydrophobicContact CD2-CZ 4.27Å; L639-P682 HydrophobicContact CB-CB 4.25Å; L639-P682 HydrophobicContact CD1-CB 4.23Å; L639-V683 HydrophobicContact CD1-CB 4.27Å; L639-V683 HydrophobicContact CD1-CG2 3.55Å; L639-F686 HydrophobicContact CD2-CG 4.47Å
640	P	95.9	Very high	95.3	Very high	61 Å²	61	23.5 Å²	23.5	40%	0.396	12%	0.124	S	C	.	.	H	α-helix	trans	-57.7	-38.5	173.1	-28.8	36.8	0	0	0	113.8	E635 T643 S644	E635-P640 WeakPolarHBondContact O-CD 3.43Å; P640-T643 WeakPolarHBondContact O-CB 3.41Å; P640-T643 PolarHBondContact O-N 2.7Å; P640-S644 PolarHBondContact O-N 3.18Å; P640-S644 VanDerWaalsContact O-N 3.1Å
641	K	95.1	Very high	95.3	Very high	26 Å²	26	23.4 Å²	23.4	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-38.9	174	-178.6	-178.1	161.3	93.1	0	111.9	L588 L589 W591 T637 L638 L639 T643 S644 H645	L588-K641 HydrophobicContact CB-CD 3.93Å; L588-K641 WeakPolarHBondContact O-CE 3.32Å; L588-K641 PolarHBondContact O-NZ 2.7Å; L589-K641 PolarHBondContact O-NZ 2.98Å; L589-K641 VanDerWaalsContact O-NZ 3.15Å; W591-K641 HydrophobicContact CE3-CD 4.12Å; W591-K641 WeakPolarHBondContact O-CE 3.09Å; W591-K641 PolarHBondContact O-NZ 2.87Å; T637-K641 PolarHBondContact O-N 2.94Å; L638-K641 PolarHBondContact O-N 3.49Å; L638-K641 VanDerWaalsContact O-N 3.12Å; L639-K641 VanDerWaalsContact C-N 3.3Å; L639-K641 PolarHBondContact O-N 3.34Å; K641-T643 VanDerWaalsContact C-N 3.27Å; K641-T643 PolarHBondContact O-N 3.38Å; K641-S644 PolarHBondContact O-N 3.37Å; K641-S644 PolarHBondContact O-OG 2.86Å; K641-H645 PolarHBondContact O-N 2.85Å; K641-H645 PolarHBondContact O-ND1 3.13Å
642	M	96.1	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-35.2	173.7	-67.8	173.3	63.9	0	0	111.6	W591 P593 L638 L639 H645 V646 L661 V664 C665 L668 F686	W591-M642 HydrophobicContact CH2-CG 4.04Å; W591-M642 HydrophobicContact CH2-SD 4.21Å; W591-M642 HydrophobicContact CZ3-CG 4.01Å; P593-M642 HydrophobicContact CB-CG 4.34Å; P593-M642 HydrophobicContact CG-CG 4.26Å; L638-M642 HydrophobicContact CD2-SD 4.29Å; L638-M642 HydrophobicContact CG-SD 4.12Å; L638-M642 WeakPolarHBondContact O-CG 3.44Å; L638-M642 PolarHBondContact O-N 3.11Å; L639-M642 HydrophobicContact CD2-SD 4.21Å; L639-M642 PolarHBondContact O-N 3.01Å; L639-M642 VanDerWaalsContact O-N 3.16Å; M642-H645 PolarHBondContact O-N 3.2Å; M642-V646 WeakPolarHBondContact O-CG2 3.38Å; M642-V646 PolarHBondContact O-N 2.98Å; M642-L661 HydrophobicContact CE-CD1 4.11Å; M642-V664 HydrophobicContact CE-CB 4.35Å; M642-V664 HydrophobicContact CE-CG1 3.69Å; M642-V664 HydrophobicContact SD-CG1 4Å; M642-C665 VanDerWaalsContact CE-SG 3.55Å; M642-L668 HydrophobicContact CE-CD1 3.97Å; M642-L668 HydrophobicContact SD-CD1 3.62Å; M642-F686 HydrophobicContact CB-CD2 4.11Å; M642-F686 HydrophobicContact CB-CE2 3.71Å; M642-F686 HydrophobicContact CE-CE2 4.34Å; M642-F686 HydrophobicContact CE-CZ 4.14Å
643	T	97.5	Very high	95.4	Very high	20 Å²	20	20.8 Å²	20.8	12%	0.123	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-47.8	175.2	-50.7	0	0	0	0	111.1	L639 P640 K641 H645 V646 E647 A689	L639-T643 WeakPolarHBondContact O-CB 3.46Å; L639-T643 PolarHBondContact O-N 2.92Å; L639-T643 PolarHBondContact O-OG1 3.39Å; P640-T643 WeakPolarHBondContact O-CB 3.41Å; P640-T643 PolarHBondContact O-N 2.7Å; K641-T643 VanDerWaalsContact C-N 3.27Å; K641-T643 PolarHBondContact O-N 3.38Å; T643-H645 PolarHBondContact O-N 2.84Å; T643-V646 WeakPolarHBondContact O-CB 3.26Å; T643-V646 PolarHBondContact O-N 3.3Å; T643-V646 VanDerWaalsContact O-N 3.09Å; T643-E647 HydrophobicContact CG2-CG 4.4Å; T643-E647 WeakPolarHBondContact O-CG 3.5Å; T643-E647 PolarHBondContact O-N 2.67Å; T643-A689 HydrophobicContact CG2-CB 3.83Å
644	S	96.1	Very high	95.2	Very high	17 Å²	17	21 Å²	21	12%	0.119	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-32.7	176.8	68.3	0	0	0	0	112.9	H455 P640 K641 L648	H455-S644 PolarHBondContact CD2-OG 3.06Å; H455-S644 PolarHBondContact NE2-OG 3.13Å; P640-S644 PolarHBondContact O-N 3.18Å; P640-S644 VanDerWaalsContact O-N 3.1Å; K641-S644 PolarHBondContact O-N 3.37Å; K641-S644 PolarHBondContact O-OG 2.86Å; S644-L648 VanDerWaalsContact O-CB 3.29Å; S644-L648 WeakPolarHBondContact O-CB 3.41Å; S644-L648 WeakPolarHBondContact O-CG 3.29Å; S644-L648 PolarHBondContact O-N 3.49Å
645	H	95.7	Very high	95	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-71.8	-36.5	174.9	-71.1	59	0	0	0	111.9	H455 P593 L594 K641 M642 T643 V649 W650	H455-H645 AromaticContact NE2-CE1 3.99Å; P593-H645 HydrophobicContact CG-CB 3.98Å; L594-H645 HydrophobicContact CD1-CB 4.43Å; L594-H645 HydrophobicContact CG-CB 4.47Å; K641-H645 PolarHBondContact O-N 2.85Å; K641-H645 PolarHBondContact O-ND1 3.13Å; M642-H645 PolarHBondContact O-N 3.2Å; T643-H645 PolarHBondContact O-N 2.84Å; H645-V649 CarbonylContact O-C 3.59Å; H645-V649 WeakPolarHBondContact O-CA 3.37Å; H645-V649 PolarHBondContact O-N 3.27Å; H645-W650 WeakPolarHBondContact O-CB 2.81Å; H645-W650 PolarHBondContact O-N 3.25Å
646	V	97.8	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-43.3	172.9	161.1	0	0	0	0	112.2	M642 T643 W650 L661 F686 A689 V690 R693	M642-V646 WeakPolarHBondContact O-CG2 3.38Å; M642-V646 PolarHBondContact O-N 2.98Å; T643-V646 WeakPolarHBondContact O-CB 3.26Å; T643-V646 PolarHBondContact O-N 3.3Å; T643-V646 VanDerWaalsContact O-N 3.09Å; V646-W650 HydrophobicContact CB-CE3 4.46Å; V646-W650 HydrophobicContact CG1-CE3 4.16Å; V646-W650 HydrophobicContact CG1-CZ3 4.47Å; V646-W650 HydrophobicContact CG2-CE3 4.19Å; V646-L661 HydrophobicContact CG2-CD1 4.47Å; V646-L661 HydrophobicContact CG2-CD2 3.68Å; V646-F686 HydrophobicContact CG2-CD2 4.45Å; V646-F686 HydrophobicContact CG2-CE2 3.65Å; V646-F686 HydrophobicContact CG2-CZ 4.2Å; V646-A689 HydrophobicContact CG1-CB 3.86Å; V646-V690 HydrophobicContact CB-CG2 4.45Å; V646-V690 HydrophobicContact CG1-CB 4.39Å; V646-V690 HydrophobicContact CG1-CG2 3.81Å; V646-V690 HydrophobicContact CG2-CG2 3.78Å; V646-R693 HydrophobicContact CG1-CB 4.32Å
647	E	96.1	Very high	94.8	Very high	111 Å²	111	25.4 Å²	25.4	52%	0.519	13%	0.13	S	C	.	.	H	α-helix	trans	-74.1	-44.2	-176.4	-68.8	177.4	145.9	0	0	112.4	T643 A689	T643-E647 HydrophobicContact CG2-CG 4.4Å; T643-E647 WeakPolarHBondContact O-CG 3.5Å; T643-E647 PolarHBondContact O-N 2.67Å; E647-A689 HydrophobicContact CG-CB 3.9Å
648	L	94.6	Very high	94.8	Very high	62 Å²	62	25.2 Å²	25.2	33%	0.325	13%	0.129	S	C	.	.	H	α-helix	trans	-103.4	-33	-167.7	-54.6	176.4	0	0	0	114.3	H455 S644	H455-L648 HydrophobicContact CB-CD1 4.07Å; S644-L648 VanDerWaalsContact O-CB 3.29Å; S644-L648 WeakPolarHBondContact O-CB 3.41Å; S644-L648 WeakPolarHBondContact O-CG 3.29Å; S644-L648 PolarHBondContact O-N 3.49Å
649	V	94.9	Very high	94.8	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-34.5	-162.7	-166.7	0	0	0	0	113.4	L458 M462 L594 H645 D651	L458-V649 HydrophobicContact CB-CG1 4.22Å; L458-V649 HydrophobicContact CB-CG2 3.75Å; L458-V649 HydrophobicContact CD1-CG2 4.49Å; M462-V649 WeakPolarHBondContact CE-O 3.28Å; M462-V649 HydrophobicContact CG-CB 4.48Å; M462-V649 HydrophobicContact CG-CG1 3.79Å; M462-V649 WeakPolarHBondContact CG-O 3.29Å; L594-V649 HydrophobicContact CD1-CB 3.88Å; L594-V649 HydrophobicContact CD1-CG1 3.73Å; H645-V649 CarbonylContact O-C 3.59Å; H645-V649 WeakPolarHBondContact O-CA 3.37Å; H645-V649 PolarHBondContact O-N 3.27Å; V649-D651 PolarHBondContact O-N 3Å
650	W	96.1	Very high	94.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.			trans	-71.5	127.8	-172.2	174.6	41.6	0	0	0	112.9	L594 H645 V646 P652 S658 L661 V690 R693 L694 W740	L594-W650 HydrophobicContact CD1-CB 4.12Å; L594-W650 HydrophobicContact CD2-CB 4.17Å; L594-W650 HydrophobicContact CD2-CG 4.41Å; H645-W650 WeakPolarHBondContact O-CB 2.81Å; H645-W650 PolarHBondContact O-N 3.25Å; V646-W650 HydrophobicContact CB-CE3 4.46Å; V646-W650 HydrophobicContact CG1-CE3 4.16Å; V646-W650 HydrophobicContact CG1-CZ3 4.47Å; V646-W650 HydrophobicContact CG2-CE3 4.19Å; W650-P652 HydrophobicContact CD2-CG 4.39Å; W650-P652 HydrophobicContact CH2-CG 4.31Å; W650-P652 HydrophobicContact CZ2-CB 4.17Å; W650-P652 HydrophobicContact CZ2-CG 4.15Å; W650-P652 HydrophobicContact CZ3-CG 4.48Å; W650-S658 PolarHBondContact NE1-OG 3.12Å; W650-L661 HydrophobicContact CD2-CD2 3.84Å; W650-L661 HydrophobicContact CE3-CD2 4.12Å; W650-L661 HydrophobicContact CG-CD2 4.03Å; W650-V690 HydrophobicContact CH2-CG1 4.27Å; W650-V690 HydrophobicContact CZ3-CG1 4.09Å; W650-R693 HydrophobicContact CE3-CB 4.28Å; W650-R693 HydrophobicContact CE3-CG 3.77Å; W650-R693 HydrophobicContact CZ3-CB 4.17Å; W650-R693 HydrophobicContact CZ3-CG 4.03Å; W650-R693 VanDerWaalsContact O-CZ 3.27Å; W650-R693 PolarHBondContact O-NE 3.21Å; W650-R693 PolarHBondContact O-NH2 3.2Å; W650-L694 HydrophobicContact CH2-CD1 4.39Å; W650-L694 HydrophobicContact CH2-CD2 3.57Å; W650-L694 HydrophobicContact CH2-CG 3.85Å; W650-L694 HydrophobicContact CZ2-CD2 4.2Å; W650-L694 HydrophobicContact CZ3-CD2 4.35Å; W650-L694 HydrophobicContact CZ3-CG 4.31Å; W650-W740 AromaticContact CH2-CE2 3.63Å; W650-W740 AromaticContact CH2-CZ2 3.46Å; W650-W740 HydrophobicContact CH2-CZ2 3.46Å; W650-W740 VanDerWaalsContact CH2-CZ2 3.46Å; W650-W740 AromaticContact CH2-NE1 3.48Å; W650-W740 AromaticContact CZ2-CE2 3.95Å; W650-W740 AromaticContact CZ2-CZ2 3.76Å; W650-W740 HydrophobicContact CZ2-CZ2 3.76Å; W650-W740 AromaticContact CZ2-NE1 3.56Å; W650-W740 AromaticContact CZ3-CZ2 3.92Å; W650-W740 HydrophobicContact CZ3-CZ2 3.92Å
651	D	94.3	Very high	94.6	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.037	13%	0.126	C	C	.	.			trans	-100.4	109.9	169.4	170.6	26.5	0	0	0	110.7	M462 R469 V649 F653 S654	M462-D651 HydrophobicContact CE-CB 3.97Å; R469-D651 IonicContact CZ-OD1 2.81Å; R469-D651 IonicContact CZ-OD2 2.7Å; R469-D651 VanDerWaalsContact CZ-OD2 3.29Å; R469-D651 VanDerWaalsContact NH1-CG 3.26Å; R469-D651 IonicContact NH1-OD1 3.5Å; R469-D651 PolarHBondContact NH1-OD1 2.94Å; R469-D651 IonicContact NH1-OD2 2.68Å; R469-D651 PolarHBondContact NH1-OD2 3.29Å; R469-D651 IonicContact NH2-OD1 2.85Å; R469-D651 IonicContact NH2-OD2 3.1Å; R469-D651 PolarHBondContact NH2-OD2 3Å; V649-D651 PolarHBondContact O-N 3Å; D651-F653 PolarHBondContact O-N 3.41Å; D651-F653 VanDerWaalsContact O-N 3.11Å; D651-F653 WeakPolarHBondContact OD1-CB 3.38Å; D651-F653 PolarHBondContact OD1-N 2.81Å; D651-S654 WeakPolarHBondContact O-CB 3.33Å; D651-S654 PolarHBondContact O-N 3.12Å; D651-S654 PolarHBondContact OD2-N 3.29Å
652	P	95.3	Very high	94.6	Very high	3 Å²	3	24 Å²	24	2%	0.019	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.2	177.3	-27	37.3	0	0	0	115.1	W650 R693 L694 C697 L733 N736	W650-P652 HydrophobicContact CD2-CG 4.39Å; W650-P652 HydrophobicContact CH2-CG 4.31Å; W650-P652 HydrophobicContact CZ2-CB 4.17Å; W650-P652 HydrophobicContact CZ2-CG 4.15Å; W650-P652 HydrophobicContact CZ3-CG 4.48Å; P652-R693 HydrophobicContact CG-CG 4.12Å; P652-L694 HydrophobicContact CB-CD2 3.94Å; P652-L694 HydrophobicContact CG-CD2 4.17Å; P652-C697 HydrophobicContact CB-CB 4.37Å; P652-C697 HydrophobicContact CG-CB 4.03Å; P652-L733 HydrophobicContact CB-CD1 3.58Å; P652-N736 WeakPolarHBondContact O-CB 3.27Å; P652-N736 PolarHBondContact O-ND2 3.41Å
653	F	92.2	Very high	94.4	Very high	13 Å²	13	26 Å²	26	6%	0.057	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.9	172	-67.6	-81.8	0	0	0	113.7	D651 H655 C697 D701 V702 M729 K732 L733	D651-F653 PolarHBondContact O-N 3.41Å; D651-F653 VanDerWaalsContact O-N 3.11Å; D651-F653 WeakPolarHBondContact OD1-CB 3.38Å; D651-F653 PolarHBondContact OD1-N 2.81Å; F653-H655 PolarHBondContact O-N 3.46Å; F653-C697 WeakPolarHBondContact CE2-SG 3.37Å; F653-D701 HydrophobicContact CE2-CB 3.71Å; F653-D701 HydrophobicContact CZ-CB 4.31Å; F653-V702 HydrophobicContact CZ-CG2 4.04Å; F653-M729 HydrophobicContact CB-CE 3.87Å; F653-M729 HydrophobicContact CD1-CE 3.56Å; F653-M729 HydrophobicContact CE1-CB 4.34Å; F653-M729 HydrophobicContact CE1-CE 4.27Å; F653-M729 HydrophobicContact CG-CE 3.9Å; F653-K732 WeakPolarHBondContact O-CE 3.36Å; F653-K732 PolarHBondContact O-NZ 2.91Å; F653-L733 HydrophobicContact CD1-CB 3.92Å; F653-L733 HydrophobicContact CE1-CB 3.76Å; F653-L733 HydrophobicContact CE1-CD2 3.98Å; F653-L733 HydrophobicContact CE1-CG 4.35Å; F653-L733 HydrophobicContact CZ-CD2 3.93Å
654	S	92.6	Very high	94.2	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.042	14%	0.137	C	C	.	.			trans	-72.4	119.1	170.5	169.3	0	0	0	0	108.9	D513 D651 Q656 Q657 S658 N736	D513-S654 WeakPolarHBondContact OD1-CA 3.29Å; D513-S654 WeakPolarHBondContact OD2-CA 3.27Å; D513-S654 WeakPolarHBondContact OD2-CB 3.27Å; D513-S654 PolarHBondContact OD2-OG 2.83Å; D651-S654 WeakPolarHBondContact O-CB 3.33Å; D651-S654 PolarHBondContact O-N 3.12Å; D651-S654 PolarHBondContact OD2-N 3.29Å; S654-Q656 PolarHBondContact OG-N 3.22Å; S654-Q657 WeakPolarHBondContact OG-CB 3.44Å; S654-Q657 VanDerWaalsContact OG-CG 3.27Å; S654-Q657 WeakPolarHBondContact OG-CG 3.2Å; S654-Q657 PolarHBondContact OG-N 3.24Å; S654-S658 VanDerWaalsContact O-CB 3.26Å; S654-S658 WeakPolarHBondContact O-CB 3.34Å; S654-S658 PolarHBondContact O-N 2.75Å; S654-S658 PolarHBondContact O-OG 3.25Å; S654-N736 PolarHBondContact O-ND2 3.01Å; S654-N736 VanDerWaalsContact O-ND2 3.09Å
655	H	90.9	Very high	94.1	Very high	72 Å²	72	24.8 Å²	24.8	33%	0.333	13%	0.131	S	C	.	.	H	α-helix	trans	-68.2	-41.7	174.5	-169.9	92.1	0	0	0	110.7	D513 F653 T659 N736 K739	D513-H655 VanDerWaalsContact CG-N 3.35Å; D513-H655 PolarHBondContact OD1-N 3.02Å; D513-H655 PolarHBondContact OD2-N 2.85Å; F653-H655 PolarHBondContact O-N 3.46Å; H655-T659 PolarHBondContact O-N 3.11Å; H655-T659 PolarHBondContact O-OG1 3.26Å; H655-N736 WeakPolarHBondContact CA-OD1 3.38Å; H655-N736 PolarHBondContact ND1-OD1 3.38Å; H655-K739 PolarHBondContact CE1-NZ 3Å; H655-K739 PolarHBondContact ND1-NZ 3.45Å; H655-K739 PolarHBondContact NE2-NZ 3.28Å; H655-K739 PolarHBondContact O-NZ 3.33Å; H655-K739 VanDerWaalsContact O-NZ 3.11Å
656	Q	91.2	Very high	94	Very high	86 Å²	86	26.7 Å²	26.7	40%	0.402	14%	0.14	S	C	.	.	H	α-helix	trans	-64.6	-55.6	-178.4	-170.9	65.7	49.2	0	0	111.3	D513 D596 S654 S658 T659 C660	D513-Q656 PolarHBondContact OD2-N 3.4Å; D596-Q656 PolarHBondContact OD2-NE2 3.05Å; S654-Q656 PolarHBondContact OG-N 3.22Å; Q656-S658 VanDerWaalsContact C-N 3.27Å; Q656-S658 PolarHBondContact O-N 2.9Å; Q656-T659 WeakPolarHBondContact O-CB 3.5Å; Q656-T659 PolarHBondContact O-N 2.94Å; Q656-C660 PolarHBondContact NE2-SG 3.2Å; Q656-C660 VanDerWaalsContact NE2-SG 3.37Å; Q656-C660 PolarHBondContact O-N 3.01Å; Q656-C660 PolarHBondContact O-SG 2.93Å
657	Q	93.3	Very high	93.7	Very high	35 Å²	35	29.7 Å²	29.7	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-41.8	-178.1	-63.4	-178.2	5.4	0	0	111.7	L594 S654 C660 L661	L594-Q657 HydrophobicContact CB-CB 4.09Å; L594-Q657 HydrophobicContact CB-CG 3.97Å; L594-Q657 HydrophobicContact CD2-CB 4.49Å; S654-Q657 WeakPolarHBondContact OG-CB 3.44Å; S654-Q657 VanDerWaalsContact OG-CG 3.27Å; S654-Q657 WeakPolarHBondContact OG-CG 3.2Å; S654-Q657 PolarHBondContact OG-N 3.24Å; Q657-C660 PolarHBondContact O-N 3.31Å; Q657-L661 VanDerWaalsContact O-CB 3.26Å; Q657-L661 WeakPolarHBondContact O-CB 3.43Å; Q657-L661 PolarHBondContact O-N 2.98Å
658	S	94.9	Very high	93.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-34.9	178.1	-54.7	0	0	0	0	112.5	W650 S654 Q656 S662	W650-S658 PolarHBondContact NE1-OG 3.12Å; S654-S658 VanDerWaalsContact O-CB 3.26Å; S654-S658 WeakPolarHBondContact O-CB 3.34Å; S654-S658 PolarHBondContact O-N 2.75Å; S654-S658 PolarHBondContact O-OG 3.25Å; Q656-S658 VanDerWaalsContact C-N 3.27Å; Q656-S658 PolarHBondContact O-N 2.9Å; S658-S662 VanDerWaalsContact O-CB 3.3Å; S658-S662 WeakPolarHBondContact O-CB 3.4Å; S658-S662 PolarHBondContact O-N 3.14Å; S658-S662 PolarHBondContact O-OG 3.04Å
659	T	93.4	Very high	93.4	Very high	47 Å²	47	24 Å²	24	29%	0.288	12%	0.121	S	C	.	.	H	α-helix	trans	-65	-57	171.2	-58	0	0	0	0	110.8	H655 Q656 L661 S662 A663 K739	H655-T659 PolarHBondContact O-N 3.11Å; H655-T659 PolarHBondContact O-OG1 3.26Å; Q656-T659 WeakPolarHBondContact O-CB 3.5Å; Q656-T659 PolarHBondContact O-N 2.94Å; T659-L661 VanDerWaalsContact C-N 3.3Å; T659-L661 PolarHBondContact O-N 3.26Å; T659-S662 PolarHBondContact O-N 2.94Å; T659-S662 PolarHBondContact O-OG 3.36Å; T659-A663 WeakPolarHBondContact O-CB 3.47Å; T659-A663 PolarHBondContact O-N 3.05Å; T659-K739 WeakPolarHBondContact OG1-CE 3.44Å; T659-K739 PolarHBondContact OG1-NZ 3.03Å
660	C	93.1	Very high	93.2	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-50.1	-51.4	-178.6	-57.5	0	0	0	0	111.5	P593 L594 Q656 Q657 A663 V664	P593-C660 CarbonylContact O-C 3.55Å; P593-C660 VanDerWaalsContact O-CB 3.23Å; P593-C660 WeakPolarHBondContact O-CB 3.42Å; L594-C660 PolarHBondContact O-SG 3.48Å; L594-C660 VanDerWaalsContact O-SG 3.36Å; Q656-C660 PolarHBondContact NE2-SG 3.2Å; Q656-C660 VanDerWaalsContact NE2-SG 3.37Å; Q656-C660 PolarHBondContact O-N 3.01Å; Q656-C660 PolarHBondContact O-SG 2.93Å; Q657-C660 PolarHBondContact O-N 3.31Å; C660-A663 PolarHBondContact O-N 3.21Å; C660-V664 WeakPolarHBondContact O-CG2 3.37Å; C660-V664 PolarHBondContact O-N 3.35Å
661	L	95	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-44.9	-176.5	-176.9	60.3	0	0	0	112.1	P593 L594 M642 V646 W650 Q657 T659 V664 C665 F686 W740	P593-L661 HydrophobicContact CB-CD1 4.1Å; P593-L661 HydrophobicContact CG-CD1 4.48Å; P593-L661 PolarHBondContact O-N 3.04Å; L594-L661 HydrophobicContact CD2-CB 3.95Å; L594-L661 HydrophobicContact CD2-CD1 4.25Å; L594-L661 HydrophobicContact CD2-CD2 3.93Å; L594-L661 HydrophobicContact CD2-CG 4.27Å; M642-L661 HydrophobicContact CE-CD1 4.11Å; V646-L661 HydrophobicContact CG2-CD1 4.47Å; V646-L661 HydrophobicContact CG2-CD2 3.68Å; W650-L661 HydrophobicContact CD2-CD2 3.84Å; W650-L661 HydrophobicContact CE3-CD2 4.12Å; W650-L661 HydrophobicContact CG-CD2 4.03Å; Q657-L661 VanDerWaalsContact O-CB 3.26Å; Q657-L661 WeakPolarHBondContact O-CB 3.43Å; Q657-L661 PolarHBondContact O-N 2.98Å; T659-L661 VanDerWaalsContact C-N 3.3Å; T659-L661 PolarHBondContact O-N 3.26Å; L661-V664 PolarHBondContact O-N 3.32Å; L661-C665 PolarHBondContact O-N 3.33Å; L661-C665 PolarHBondContact O-SG 3.36Å; L661-F686 HydrophobicContact CD1-CZ 4.46Å; L661-W740 HydrophobicContact CD2-CH2 3.7Å; L661-W740 HydrophobicContact CD2-CZ2 3.67Å; L661-W740 HydrophobicContact CG-CH2 3.75Å; L661-W740 HydrophobicContact CG-CZ2 4Å
662	S	94.5	Very high	92.7	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-39.7	175.7	66.4	0	0	0	0	112.2	S658 T659 C665 H666	S658-S662 VanDerWaalsContact O-CB 3.3Å; S658-S662 WeakPolarHBondContact O-CB 3.4Å; S658-S662 PolarHBondContact O-N 3.14Å; S658-S662 PolarHBondContact O-OG 3.04Å; T659-S662 PolarHBondContact O-N 2.94Å; T659-S662 PolarHBondContact O-OG 3.36Å; S662-C665 WeakPolarHBondContact O-CB 3.29Å; S662-C665 PolarHBondContact O-N 3.37Å; S662-C665 VanDerWaalsContact O-N 3.15Å; S662-H666 PolarHBondContact O-CD2 3.48Å; S662-H666 PolarHBondContact O-N 2.97Å
663	A	93	Very high	92.4	Very high	41 Å²	41	39.4 Å²	39.4	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-40.9	-179.9	0	0	0	0	0	112.1	T659 C660 C665 H666 R667	T659-A663 WeakPolarHBondContact O-CB 3.47Å; T659-A663 PolarHBondContact O-N 3.05Å; C660-A663 PolarHBondContact O-N 3.21Å; A663-C665 VanDerWaalsContact C-N 3.34Å; A663-H666 PolarHBondContact O-N 3.31Å; A663-R667 PolarHBondContact O-N 3.02Å
664	V	93.1	Very high	92.3	Very high	12 Å²	12	39.1 Å²	39.1	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-41.9	170.9	175.7	0	0	0	0	110.7	W591 F601 M642 C660 L661 R667 L668	W591-V664 HydrophobicContact CH2-CG1 4.16Å; W591-V664 HydrophobicContact CZ2-CG1 4.26Å; W591-V664 HydrophobicContact CZ2-CG2 4.41Å; F601-V664 HydrophobicContact CE1-CG1 4.37Å; M642-V664 HydrophobicContact CE-CB 4.35Å; M642-V664 HydrophobicContact CE-CG1 3.69Å; M642-V664 HydrophobicContact SD-CG1 4Å; C660-V664 WeakPolarHBondContact O-CG2 3.37Å; C660-V664 PolarHBondContact O-N 3.35Å; L661-V664 PolarHBondContact O-N 3.32Å; V664-R667 PolarHBondContact O-N 3.22Å; V664-L668 HydrophobicContact CG1-CD1 4.16Å; V664-L668 HydrophobicContact CG1-CG 4.39Å; V664-L668 WeakPolarHBondContact O-CB 3.28Å; V664-L668 VanDerWaalsContact O-CG 3.27Å; V664-L668 WeakPolarHBondContact O-CG 3.4Å; V664-L668 PolarHBondContact O-N 3.07Å
665	C	94.2	Very high	92.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-38.1	178	-64	0	0	0	0	113	M642 L661 S662 A663 L668 R669 F675 F686 L743	M642-C665 VanDerWaalsContact CE-SG 3.55Å; L661-C665 PolarHBondContact O-N 3.33Å; L661-C665 PolarHBondContact O-SG 3.36Å; S662-C665 WeakPolarHBondContact O-CB 3.29Å; S662-C665 PolarHBondContact O-N 3.37Å; S662-C665 VanDerWaalsContact O-N 3.15Å; A663-C665 VanDerWaalsContact C-N 3.34Å; C665-L668 PolarHBondContact O-N 3.28Å; C665-R669 PolarHBondContact O-N 3.29Å; C665-F675 HydrophobicContact CB-CE2 4.18Å; C665-F675 HydrophobicContact CB-CZ 4.33Å; C665-F675 WeakPolarHBondContact O-CE2 3.49Å; C665-F686 VanDerWaalsContact SG-CZ 3.52Å; C665-L743 HydrophobicContact CB-CD1 3.49Å; C665-L743 VanDerWaalsContact CB-CD1 3.49Å; C665-L743 HydrophobicContact CB-CD2 3.97Å; C665-L743 HydrophobicContact CB-CG 4.36Å
666	H	92.4	Very high	91.8	Very high	43 Å²	43	41.2 Å²	41.2	20%	0.199	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-44.2	175.3	-75.7	-61.3	0	0	0	112	S662 A663 L668 R669 E670 K739 D741	S662-H666 PolarHBondContact O-CD2 3.48Å; S662-H666 PolarHBondContact O-N 2.97Å; A663-H666 PolarHBondContact O-N 3.31Å; H666-L668 PolarHBondContact O-N 2.92Å; H666-R669 WeakPolarHBondContact O-CA 3.49Å; H666-R669 WeakPolarHBondContact O-CB 3.47Å; H666-R669 PolarHBondContact O-N 3.42Å; H666-E670 WeakPolarHBondContact O-CB 3.17Å; H666-E670 WeakPolarHBondContact O-CG 3.26Å; H666-E670 PolarHBondContact O-N 3.48Å; H666-K739 PolarHBondContact NE2-O 2.88Å; H666-K739 VanDerWaalsContact NE2-O 3.12Å; H666-D741 PolarHBondContact CE1-O 3.45Å; H666-D741 VanDerWaalsContact CE1-O 3.29Å
667	R	91.9	Very high	91.2	Very high	63 Å²	63	40.5 Å²	40.5	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-45	170.3	-68.9	-155	-52	-83.4	7.3	112.6	E602 A663 V664 R669 E670 D671	E602-R667 IonicContact OE1-CZ 2.68Å; E602-R667 IonicContact OE1-NE 3.65Å; E602-R667 PolarHBondContact OE1-NE 3.2Å; E602-R667 IonicContact OE1-NH2 2.69Å; E602-R667 PolarHBondContact OE1-NH2 3.2Å; E602-R667 IonicContact OE2-NH2 2.85Å; E602-R667 PolarHBondContact OE2-NH2 3.36Å; A663-R667 PolarHBondContact O-N 3.02Å; V664-R667 PolarHBondContact O-N 3.22Å; R667-R669 PolarHBondContact O-N 3.04Å; R667-E670 PolarHBondContact O-N 3.07Å; R667-D671 WeakPolarHBondContact CB-OD2 3.48Å; R667-D671 WeakPolarHBondContact O-CB 3.45Å; R667-D671 PolarHBondContact O-N 2.98Å
668	L	92.9	Very high	90.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-27.5	175.9	-71.9	-177.2	0	0	0	113.4	F601 I634 L638 L639 M642 V664 C665 H666 Y672 I674 F675	F601-L668 HydrophobicContact CE1-CD2 4.1Å; F601-L668 HydrophobicContact CZ-CD2 3.69Å; I634-L668 HydrophobicContact CG2-CD2 3.73Å; L638-L668 HydrophobicContact CD2-CD1 4.01Å; L638-L668 HydrophobicContact CD2-CD2 4.04Å; L639-L668 HydrophobicContact CD2-CD1 4.21Å; M642-L668 HydrophobicContact CE-CD1 3.97Å; M642-L668 HydrophobicContact SD-CD1 3.62Å; V664-L668 HydrophobicContact CG1-CD1 4.16Å; V664-L668 HydrophobicContact CG1-CG 4.39Å; V664-L668 WeakPolarHBondContact O-CB 3.28Å; V664-L668 VanDerWaalsContact O-CG 3.27Å; V664-L668 WeakPolarHBondContact O-CG 3.4Å; V664-L668 PolarHBondContact O-N 3.07Å; C665-L668 PolarHBondContact O-N 3.28Å; H666-L668 PolarHBondContact O-N 2.92Å; L668-Y672 HydrophobicContact CD2-CD2 3.92Å; L668-Y672 HydrophobicContact CD2-CE2 4.32Å; L668-I674 HydrophobicContact CB-CB 4.35Å; L668-I674 HydrophobicContact CB-CG1 4.36Å; L668-I674 HydrophobicContact CD2-CG1 4.45Å; L668-I674 WeakPolarHBondContact O-CB 3.49Å; L668-I674 VanDerWaalsContact O-CG1 3.3Å; L668-I674 WeakPolarHBondContact O-CG1 3.48Å; L668-I674 PolarHBondContact O-N 3.05Å; L668-F675 HydrophobicContact CB-CD2 4.33Å; L668-F675 HydrophobicContact CB-CE2 3.85Å
669	R	92	Very high	90.2	Very high	55 Å²	55	50.1 Å²	50.1	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-77.2	-47.8	171.4	175.9	175.1	161	-87.2	-9	111.8	C665 H666 R667 S673 F675 L743	C665-R669 PolarHBondContact O-N 3.29Å; H666-R669 WeakPolarHBondContact O-CA 3.49Å; H666-R669 WeakPolarHBondContact O-CB 3.47Å; H666-R669 PolarHBondContact O-N 3.42Å; R667-R669 PolarHBondContact O-N 3.04Å; R669-S673 VanDerWaalsContact O-CA 3.31Å; R669-S673 WeakPolarHBondContact O-CA 3.4Å; R669-S673 PolarHBondContact O-N 2.84Å; R669-F675 HydrophobicContact CB-CB 4.19Å; R669-F675 HydrophobicContact CB-CD2 3.93Å; R669-F675 HydrophobicContact CB-CG 4.5Å; R669-F675 HydrophobicContact CG-CB 4.31Å; R669-L743 HydrophobicContact CB-CD2 4.22Å
670	E	90.9	Very high	90	Very high	126 Å²	126	49.2 Å²	49.2	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-84.3	-43.6	-167.1	-69.5	170.8	180	0	0	113.5	H666 R667	H666-E670 WeakPolarHBondContact O-CB 3.17Å; H666-E670 WeakPolarHBondContact O-CG 3.26Å; H666-E670 PolarHBondContact O-N 3.48Å; R667-E670 PolarHBondContact O-N 3.07Å
671	D	89.6	Confident	90	Very high	105 Å²	105	57.9 Å²	57.9	56%	0.561	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20	-176.9	-58.5	-52.9	0	0	0	112.9	R667	R667-D671 WeakPolarHBondContact CB-OD2 3.48Å; R667-D671 WeakPolarHBondContact O-CB 3.45Å; R667-D671 PolarHBondContact O-N 2.98Å
672	Y	89.4	Confident	90	Very high	46 Å²	46	59.3 Å²	59.3	18%	0.18	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	0.5	-168.2	-52	-81.7	0	0	0	115.5	F601 F607 L630 I634 L668 I674	F601-Y672 HydrophobicContact CZ-CE2 4.23Å; F607-Y672 AromaticContact CE2-CE1 3.73Å; F607-Y672 HydrophobicContact CE2-CE1 3.73Å; F607-Y672 AromaticContact CE2-CZ 3.84Å; F607-Y672 WeakPolarHBondContact CE2-OH 3.48Å; F607-Y672 AromaticContact CZ-CE1 3.77Å; F607-Y672 HydrophobicContact CZ-CE1 3.77Å; F607-Y672 AromaticContact CZ-CZ 3.87Å; F607-Y672 WeakPolarHBondContact CZ-OH 3.39Å; L630-Y672 HydrophobicContact CD2-CD1 4.38Å; L630-Y672 HydrophobicContact CD2-CE1 4.14Å; I634-Y672 HydrophobicContact CD1-CD1 3.78Å; I634-Y672 HydrophobicContact CD1-CE1 4.13Å; I634-Y672 HydrophobicContact CD1-CG 4.05Å; L668-Y672 HydrophobicContact CD2-CD2 3.92Å; L668-Y672 HydrophobicContact CD2-CE2 4.32Å; Y672-I674 PolarHBondContact O-N 3.36Å
673	S	90.5	Very high	90	Very high	63 Å²	63	59 Å²	59	44%	0.441	31%	0.309	S	S	.	.			trans	52.1	22.9	-179.1	-66.3	0	0	0	0	116	R669 F675 E676	R669-S673 VanDerWaalsContact O-CA 3.31Å; R669-S673 WeakPolarHBondContact O-CA 3.4Å; R669-S673 PolarHBondContact O-N 2.84Å; S673-F675 PolarHBondContact O-N 3.35Å; S673-F675 VanDerWaalsContact O-N 3.16Å; S673-E676 VanDerWaalsContact CB-OE2 3.22Å; S673-E676 WeakPolarHBondContact CB-OE2 3.26Å; S673-E676 PolarHBondContact O-N 3.04Å; S673-E676 VanDerWaalsContact O-N 3.07Å; S673-E676 PolarHBondContact OG-OE2 2.73Å
674	I	89.9	Confident	90.1	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.036	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.7	-172	-62.5	-71.9	0	0	0	112.7	S631 I634 E635 L639 L668 Y672 V683	S631-I674 WeakPolarHBondContact OG-CD1 3.31Å; I634-I674 HydrophobicContact CB-CD1 4.02Å; I634-I674 HydrophobicContact CG2-CD1 3.63Å; I634-I674 HydrophobicContact CG2-CG1 3.95Å; E635-I674 HydrophobicContact CG-CD1 4.23Å; L639-I674 HydrophobicContact CD1-CG2 3.7Å; L639-I674 HydrophobicContact CD2-CG2 4.49Å; L639-I674 HydrophobicContact CG-CG2 4.32Å; L668-I674 HydrophobicContact CB-CB 4.35Å; L668-I674 HydrophobicContact CB-CG1 4.36Å; L668-I674 HydrophobicContact CD2-CG1 4.45Å; L668-I674 WeakPolarHBondContact O-CB 3.49Å; L668-I674 VanDerWaalsContact O-CG1 3.3Å; L668-I674 WeakPolarHBondContact O-CG1 3.48Å; L668-I674 PolarHBondContact O-N 3.05Å; Y672-I674 PolarHBondContact O-N 3.36Å; I674-V683 HydrophobicContact CG2-CG2 4.09Å; I674-V683 WeakPolarHBondContact O-CG2 3.26Å
675	F	88.6	Confident	90.2	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.075	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.7	-179.7	-65.9	-80.5	0	0	0	113.2	L639 C665 L668 R669 S673 Q679 V683 F686 I687 L743	L639-F675 HydrophobicContact CD2-CZ 4.27Å; C665-F675 HydrophobicContact CB-CE2 4.18Å; C665-F675 HydrophobicContact CB-CZ 4.33Å; C665-F675 WeakPolarHBondContact O-CE2 3.49Å; L668-F675 HydrophobicContact CB-CD2 4.33Å; L668-F675 HydrophobicContact CB-CE2 3.85Å; R669-F675 HydrophobicContact CB-CB 4.19Å; R669-F675 HydrophobicContact CB-CD2 3.93Å; R669-F675 HydrophobicContact CB-CG 4.5Å; R669-F675 HydrophobicContact CG-CB 4.31Å; S673-F675 PolarHBondContact O-N 3.35Å; S673-F675 VanDerWaalsContact O-N 3.16Å; F675-Q679 PolarHBondContact O-NE2 3.33Å; F675-V683 HydrophobicContact CD1-CG1 3.49Å; F675-V683 VanDerWaalsContact CD1-CG1 3.49Å; F675-V683 HydrophobicContact CE1-CG1 3.73Å; F675-V683 HydrophobicContact CG-CG1 4.4Å; F675-F686 AromaticContact CE1-CD1 3.9Å; F675-F686 HydrophobicContact CE1-CD1 3.9Å; F675-F686 HydrophobicContact CE1-CE1 4.19Å; F675-F686 AromaticContact CZ-CD1 3.99Å; F675-F686 HydrophobicContact CZ-CD1 3.99Å; F675-F686 AromaticContact CZ-CE1 3.95Å; F675-F686 HydrophobicContact CZ-CE1 3.95Å; F675-I687 HydrophobicContact CD1-CD1 4.34Å; F675-I687 HydrophobicContact CE1-CG1 4.45Å; F675-L743 HydrophobicContact CD2-CD2 4.27Å; F675-L743 HydrophobicContact CE2-CD2 4.5Å; F675-L743 HydrophobicContact CG-CD2 4.49Å
676	E	83.4	Confident	90.4	Very high	105 Å²	105	62.3 Å²	62.3	49%	0.491	32%	0.323	S	S	.	.	S	Bend	trans	-106.4	148.9	-175.4	-56.3	-164.3	120	0	0	112.9	S673	S673-E676 VanDerWaalsContact CB-OE2 3.22Å; S673-E676 WeakPolarHBondContact CB-OE2 3.26Å; S673-E676 PolarHBondContact O-N 3.04Å; S673-E676 VanDerWaalsContact O-N 3.07Å; S673-E676 PolarHBondContact OG-OE2 2.73Å
677	G	80.1	Confident	90.5	Very high	71 Å²	71	61.4 Å²	61.4	73%	0.732	32%	0.319	S	S	*	.	S	Bend	trans	70.8	-137.2	175.9	0	0	0	0	0	114.8	Q679	G677-Q679 PolarHBondContact O-N 2.77Å; G677-Q679 VanDerWaalsContact O-N 3.09Å
678	E	82.1	Confident	90.7	Very high	185 Å²	185	64.9 Å²	64.9	86%	0.864	34%	0.338	S	S	*	.	S	Bend	trans	-80.1	92	-178	-167.4	-176.7	167.8	0	0	111.5	S680	E678-S680 PolarHBondContact O-N 2.78Å
679	Q	84.1	Confident	91	Very high	51 Å²	51	65.2 Å²	65.2	24%	0.238	34%	0.341	C	S	.	.			trans	-44.4	119.6	179.8	-52.6	-59.9	-23.4	0	0	113	F675 G677 K684	F675-Q679 PolarHBondContact O-NE2 3.33Å; G677-Q679 PolarHBondContact O-N 2.77Å; G677-Q679 VanDerWaalsContact O-N 3.09Å; Q679-K684 HydrophobicContact CB-CD 4.36Å; Q679-K684 HydrophobicContact CB-CG 3.79Å; Q679-K684 WeakPolarHBondContact O-CE 3.23Å; Q679-K684 PolarHBondContact O-NZ 3.15Å
680	S	90.3	Very high	91.3	Very high	28 Å²	28	62.6 Å²	62.6	20%	0.196	33%	0.331	C	S	.	.			trans	-74.7	172.9	179.9	88.5	0	0	0	0	112.1	E635 E678 P682 V683 K684	E635-S680 VanDerWaalsContact CD-OG 3.22Å; E635-S680 WeakPolarHBondContact OE2-CB 3.41Å; E635-S680 PolarHBondContact OE2-OG 3.34Å; E678-S680 PolarHBondContact O-N 2.78Å; S680-P682 WeakPolarHBondContact OG-CD 3.25Å; S680-V683 PolarHBondContact O-N 3.28Å; S680-V683 WeakPolarHBondContact OG-CG2 3.3Å; S680-K684 WeakPolarHBondContact O-CB 3.43Å; S680-K684 WeakPolarHBondContact O-CG 3.36Å; S680-K684 PolarHBondContact O-N 2.84Å
681	K	93.1	Very high	91.6	Very high	188 Å²	188	57 Å²	57	82%	0.817	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-46.1	-177.3	-69	-173.7	-179.6	-175.4	0	113.6	V683 G685	K681-V683 PolarHBondContact O-N 2.9Å; K681-G685 PolarHBondContact O-N 2.8Å
682	P	94.1	Very high	91.9	Very high	31 Å²	31	58 Å²	58	20%	0.201	31%	0.306	C	S	.	.	H	α-helix	trans	-56.4	-43.7	170.9	-28	34.2	0	0	0	114	E635 K636 L639 S680 G685 F686	E635-P682 WeakPolarHBondContact O-CB 3.45Å; E635-P682 WeakPolarHBondContact O-CG 3.34Å; K636-P682 HydrophobicContact CD-CG 4.14Å; L639-P682 HydrophobicContact CB-CB 4.25Å; L639-P682 HydrophobicContact CD1-CB 4.23Å; S680-P682 WeakPolarHBondContact OG-CD 3.25Å; P682-G685 PolarHBondContact O-N 3.03Å; P682-F686 WeakPolarHBondContact O-CB 3.41Å; P682-F686 PolarHBondContact O-N 3.03Å
683	V	94.6	Very high	92.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-44.9	-178.4	-169.3	0	0	0	0	110.9	E635 L639 I674 F675 S680 K681 G685 F686 I687	E635-V683 HydrophobicContact CG-CG2 4.47Å; L639-V683 HydrophobicContact CD1-CB 4.27Å; L639-V683 HydrophobicContact CD1-CG2 3.55Å; I674-V683 HydrophobicContact CG2-CG2 4.09Å; I674-V683 WeakPolarHBondContact O-CG2 3.26Å; F675-V683 HydrophobicContact CD1-CG1 3.49Å; F675-V683 VanDerWaalsContact CD1-CG1 3.49Å; F675-V683 HydrophobicContact CE1-CG1 3.73Å; F675-V683 HydrophobicContact CG-CG1 4.4Å; S680-V683 PolarHBondContact O-N 3.28Å; S680-V683 WeakPolarHBondContact OG-CG2 3.3Å; K681-V683 PolarHBondContact O-N 2.9Å; V683-G685 PolarHBondContact O-N 2.86Å; V683-F686 PolarHBondContact O-N 3.12Å; V683-I687 HydrophobicContact CG1-CD1 3.99Å; V683-I687 WeakPolarHBondContact O-CG1 3.45Å; V683-I687 PolarHBondContact O-N 2.96Å
684	K	94.3	Very high	92.6	Very high	92 Å²	92	55.4 Å²	55.4	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-57.5	-47.9	173.4	-75.7	173.4	165.9	127.2	0	111.8	Q679 S680 F686 I687 E688	Q679-K684 HydrophobicContact CB-CD 4.36Å; Q679-K684 HydrophobicContact CB-CG 3.79Å; Q679-K684 WeakPolarHBondContact O-CE 3.23Å; Q679-K684 PolarHBondContact O-NZ 3.15Å; S680-K684 WeakPolarHBondContact O-CB 3.43Å; S680-K684 WeakPolarHBondContact O-CG 3.36Å; S680-K684 PolarHBondContact O-N 2.84Å; K684-F686 PolarHBondContact O-N 3.03Å; K684-I687 PolarHBondContact O-N 3.33Å; K684-E688 WeakPolarHBondContact O-CB 3.47Å; K684-E688 VanDerWaalsContact O-CG 3.29Å; K684-E688 WeakPolarHBondContact O-CG 3.28Å; K684-E688 PolarHBondContact O-N 3.07Å
685	G	96	Very high	92.9	Very high	28 Å²	28	59.6 Å²	59.6	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-40.1	177.6	0	0	0	0	0	113.5	K681 P682 V683 E688 A689	K681-G685 PolarHBondContact O-N 2.8Å; P682-G685 PolarHBondContact O-N 3.03Å; V683-G685 PolarHBondContact O-N 2.86Å; G685-E688 PolarHBondContact O-N 2.99Å; G685-A689 WeakPolarHBondContact O-CB 3.4Å; G685-A689 PolarHBondContact O-N 3.04Å
686	F	97.1	Very high	93.3	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-47.1	175	177.8	-99.1	0	0	0	112	L639 M642 V646 L661 C665 F675 P682 V683 K684 E688 A689 V690 W740	L639-F686 HydrophobicContact CD2-CG 4.47Å; M642-F686 HydrophobicContact CB-CD2 4.11Å; M642-F686 HydrophobicContact CB-CE2 3.71Å; M642-F686 HydrophobicContact CE-CE2 4.34Å; M642-F686 HydrophobicContact CE-CZ 4.14Å; V646-F686 HydrophobicContact CG2-CD2 4.45Å; V646-F686 HydrophobicContact CG2-CE2 3.65Å; V646-F686 HydrophobicContact CG2-CZ 4.2Å; L661-F686 HydrophobicContact CD1-CZ 4.46Å; C665-F686 VanDerWaalsContact SG-CZ 3.52Å; F675-F686 AromaticContact CE1-CD1 3.9Å; F675-F686 HydrophobicContact CE1-CD1 3.9Å; F675-F686 HydrophobicContact CE1-CE1 4.19Å; F675-F686 AromaticContact CZ-CD1 3.99Å; F675-F686 HydrophobicContact CZ-CD1 3.99Å; F675-F686 AromaticContact CZ-CE1 3.95Å; F675-F686 HydrophobicContact CZ-CE1 3.95Å; P682-F686 WeakPolarHBondContact O-CB 3.41Å; P682-F686 PolarHBondContact O-N 3.03Å; V683-F686 PolarHBondContact O-N 3.12Å; K684-F686 PolarHBondContact O-N 3.03Å; F686-E688 VanDerWaalsContact C-N 3.35Å; F686-E688 PolarHBondContact O-N 3.02Å; F686-A689 PolarHBondContact O-N 2.93Å; F686-V690 HydrophobicContact CD1-CG2 4.38Å; F686-V690 HydrophobicContact CE1-CG2 3.94Å; F686-V690 HydrophobicContact CE2-CG2 4.18Å; F686-V690 HydrophobicContact CZ-CG2 3.82Å; F686-V690 WeakPolarHBondContact O-CG2 3.3Å; F686-V690 PolarHBondContact O-N 2.87Å; F686-W740 HydrophobicContact CE1-CZ3 4.16Å; F686-W740 HydrophobicContact CZ-CH2 4.19Å; F686-W740 HydrophobicContact CZ-CZ3 4.24Å
687	I	95.6	Very high	93.8	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-44.6	176.2	-70.3	169.7	0	0	0	110.7	F675 V683 K684 V690 V691 L744	F675-I687 HydrophobicContact CD1-CD1 4.34Å; F675-I687 HydrophobicContact CE1-CG1 4.45Å; V683-I687 HydrophobicContact CG1-CD1 3.99Å; V683-I687 WeakPolarHBondContact O-CG1 3.45Å; V683-I687 PolarHBondContact O-N 2.96Å; K684-I687 PolarHBondContact O-N 3.33Å; I687-V690 PolarHBondContact O-N 3.41Å; I687-V691 WeakPolarHBondContact O-CB 3.5Å; I687-V691 VanDerWaalsContact O-CG2 3.29Å; I687-V691 WeakPolarHBondContact O-CG2 3.47Å; I687-V691 PolarHBondContact O-N 3.49Å; I687-L744 HydrophobicContact CG2-CD2 3.93Å
688	E	96.5	Very high	94.6	Very high	135 Å²	135	52.1 Å²	52.1	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-61.3	-42.6	176.6	-75.3	169.2	-164.7	0	0	111.8	K684 G685 F686 V691 H692	K684-E688 WeakPolarHBondContact O-CB 3.47Å; K684-E688 VanDerWaalsContact O-CG 3.29Å; K684-E688 WeakPolarHBondContact O-CG 3.28Å; K684-E688 PolarHBondContact O-N 3.07Å; G685-E688 PolarHBondContact O-N 2.99Å; F686-E688 VanDerWaalsContact C-N 3.35Å; F686-E688 PolarHBondContact O-N 3.02Å; E688-V691 PolarHBondContact O-N 3.05Å; E688-H692 VanDerWaalsContact O-CB 3.26Å; E688-H692 WeakPolarHBondContact O-CB 3.46Å; E688-H692 PolarHBondContact O-N 2.98Å
689	A	98.1	Very high	95.1	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-43.8	176.5	0	0	0	0	0	112.8	T643 V646 E647 G685 F686 H692 R693	T643-A689 HydrophobicContact CG2-CB 3.83Å; V646-A689 HydrophobicContact CG1-CB 3.86Å; E647-A689 HydrophobicContact CG-CB 3.9Å; G685-A689 WeakPolarHBondContact O-CB 3.4Å; G685-A689 PolarHBondContact O-N 3.04Å; F686-A689 PolarHBondContact O-N 2.93Å; A689-H692 PolarHBondContact O-N 3.17Å; A689-R693 WeakPolarHBondContact O-CB 3.28Å; A689-R693 PolarHBondContact O-N 3.11Å
690	V	98.1	Very high	95.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-48.4	176.2	171.1	0	0	0	0	110.4	V646 W650 F686 I687 H692 R693 L694 W740 L744	V646-V690 HydrophobicContact CB-CG2 4.45Å; V646-V690 HydrophobicContact CG1-CB 4.39Å; V646-V690 HydrophobicContact CG1-CG2 3.81Å; V646-V690 HydrophobicContact CG2-CG2 3.78Å; W650-V690 HydrophobicContact CH2-CG1 4.27Å; W650-V690 HydrophobicContact CZ3-CG1 4.09Å; F686-V690 HydrophobicContact CD1-CG2 4.38Å; F686-V690 HydrophobicContact CE1-CG2 3.94Å; F686-V690 HydrophobicContact CE2-CG2 4.18Å; F686-V690 HydrophobicContact CZ-CG2 3.82Å; F686-V690 WeakPolarHBondContact O-CG2 3.3Å; F686-V690 PolarHBondContact O-N 2.87Å; I687-V690 PolarHBondContact O-N 3.41Å; V690-H692 VanDerWaalsContact C-N 3.32Å; V690-H692 PolarHBondContact O-N 3.2Å; V690-R693 PolarHBondContact O-N 3.32Å; V690-L694 HydrophobicContact CG1-CD1 4.13Å; V690-L694 WeakPolarHBondContact O-CB 3.29Å; V690-L694 WeakPolarHBondContact O-CG 3.4Å; V690-L694 PolarHBondContact O-N 3.48Å; V690-W740 HydrophobicContact CB-CH2 4.35Å; V690-W740 HydrophobicContact CB-CZ3 4.36Å; V690-W740 HydrophobicContact CG1-CD2 3.85Å; V690-W740 HydrophobicContact CG1-CE3 3.78Å; V690-W740 HydrophobicContact CG1-CH2 3.76Å; V690-W740 HydrophobicContact CG1-CZ2 3.85Å; V690-W740 HydrophobicContact CG1-CZ3 3.74Å; V690-W740 HydrophobicContact CG2-CH2 3.55Å; V690-W740 HydrophobicContact CG2-CZ2 4.28Å; V690-W740 HydrophobicContact CG2-CZ3 3.75Å; V690-L744 HydrophobicContact CB-CD2 4.48Å; V690-L744 HydrophobicContact CG1-CD1 3.98Å; V690-L744 HydrophobicContact CG1-CD2 4.16Å
691	V	97.4	Very high	95.4	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-38.9	178.3	169.2	0	0	0	0	111.3	I687 E688 R695 L744 I748	I687-V691 WeakPolarHBondContact O-CB 3.5Å; I687-V691 VanDerWaalsContact O-CG2 3.29Å; I687-V691 WeakPolarHBondContact O-CG2 3.47Å; I687-V691 PolarHBondContact O-N 3.49Å; E688-V691 PolarHBondContact O-N 3.05Å; V691-R695 VanDerWaalsContact CG1-NH1 3.26Å; V691-R695 WeakPolarHBondContact O-CB 3.38Å; V691-R695 VanDerWaalsContact O-CG 3.29Å; V691-R695 WeakPolarHBondContact O-CG 3.29Å; V691-R695 PolarHBondContact O-N 2.89Å; V691-L744 HydrophobicContact CG2-CD1 4.18Å; V691-L744 HydrophobicContact CG2-CD2 3.88Å; V691-I748 HydrophobicContact CB-CG2 4.48Å; V691-I748 HydrophobicContact CG1-CG2 3.67Å; V691-I748 HydrophobicContact CG2-CG2 3.92Å
692	H	97.4	Very high	95.4	Very high	127 Å²	127	42.1 Å²	42.1	59%	0.588	21%	0.209	S	C	*	.	H	α-helix	trans	-63.7	-50.3	174.7	-176	-85.2	0	0	0	111.4	E688 A689 V690 L694 R695 S696	E688-H692 VanDerWaalsContact O-CB 3.26Å; E688-H692 WeakPolarHBondContact O-CB 3.46Å; E688-H692 PolarHBondContact O-N 2.98Å; A689-H692 PolarHBondContact O-N 3.17Å; V690-H692 VanDerWaalsContact C-N 3.32Å; V690-H692 PolarHBondContact O-N 3.2Å; H692-L694 VanDerWaalsContact C-N 3.32Å; H692-L694 PolarHBondContact O-N 3.37Å; H692-R695 PolarHBondContact O-N 3.03Å; H692-R695 VanDerWaalsContact O-N 3.14Å; H692-S696 PolarHBondContact O-N 3.38Å; H692-S696 PolarHBondContact O-OG 3.14Å
693	R	96.9	Very high	95.3	Very high	54 Å²	54	45 Å²	45	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-42.4	179.3	-172.7	62.7	170.9	178.4	-5.6	112	V646 W650 P652 A689 V690 C697	V646-R693 HydrophobicContact CG1-CB 4.32Å; W650-R693 HydrophobicContact CE3-CB 4.28Å; W650-R693 HydrophobicContact CE3-CG 3.77Å; W650-R693 HydrophobicContact CZ3-CB 4.17Å; W650-R693 HydrophobicContact CZ3-CG 4.03Å; W650-R693 VanDerWaalsContact O-CZ 3.27Å; W650-R693 PolarHBondContact O-NE 3.21Å; W650-R693 PolarHBondContact O-NH2 3.2Å; P652-R693 HydrophobicContact CG-CG 4.12Å; A689-R693 WeakPolarHBondContact O-CB 3.28Å; A689-R693 PolarHBondContact O-N 3.11Å; V690-R693 PolarHBondContact O-N 3.32Å; R693-C697 VanDerWaalsContact O-CB 3.28Å; R693-C697 WeakPolarHBondContact O-CB 3.48Å; R693-C697 PolarHBondContact O-N 2.85Å
694	L	97.3	Very high	95.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-40.5	175.1	-72.4	-179.3	0	0	0	112.9	W650 P652 V690 H692 C697 V698 M737 L744 L752	W650-L694 HydrophobicContact CH2-CD1 4.39Å; W650-L694 HydrophobicContact CH2-CD2 3.57Å; W650-L694 HydrophobicContact CH2-CG 3.85Å; W650-L694 HydrophobicContact CZ2-CD2 4.2Å; W650-L694 HydrophobicContact CZ3-CD2 4.35Å; W650-L694 HydrophobicContact CZ3-CG 4.31Å; P652-L694 HydrophobicContact CB-CD2 3.94Å; P652-L694 HydrophobicContact CG-CD2 4.17Å; V690-L694 HydrophobicContact CG1-CD1 4.13Å; V690-L694 WeakPolarHBondContact O-CB 3.29Å; V690-L694 WeakPolarHBondContact O-CG 3.4Å; V690-L694 PolarHBondContact O-N 3.48Å; H692-L694 VanDerWaalsContact C-N 3.32Å; H692-L694 PolarHBondContact O-N 3.37Å; L694-C697 PolarHBondContact O-N 3.49Å; L694-V698 WeakPolarHBondContact O-CG2 3.24Å; L694-V698 PolarHBondContact O-N 3.39Å; L694-V698 VanDerWaalsContact O-N 3.11Å; L694-M737 HydrophobicContact CB-CE 3.86Å; L694-M737 HydrophobicContact CD1-CE 4.38Å; L694-M737 HydrophobicContact CD2-CE 4.04Å; L694-M737 HydrophobicContact CD2-CG 4.02Å; L694-M737 HydrophobicContact CG-CE 4.32Å; L694-L744 HydrophobicContact CD1-CD1 4.11Å; L694-L752 HydrophobicContact CB-CD1 3.98Å; L694-L752 HydrophobicContact CD1-CD1 4.45Å
695	R	96.8	Very high	94.8	Very high	94 Å²	94	42 Å²	42	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-52.6	175.1	-79.4	176	171.2	149.1	-1.9	111.7	V691 H692 C697 V698 D699 E751 L752	V691-R695 VanDerWaalsContact CG1-NH1 3.26Å; V691-R695 WeakPolarHBondContact O-CB 3.38Å; V691-R695 VanDerWaalsContact O-CG 3.29Å; V691-R695 WeakPolarHBondContact O-CG 3.29Å; V691-R695 PolarHBondContact O-N 2.89Å; H692-R695 PolarHBondContact O-N 3.03Å; H692-R695 VanDerWaalsContact O-N 3.14Å; R695-C697 VanDerWaalsContact C-N 3.27Å; R695-C697 PolarHBondContact O-N 3.06Å; R695-V698 PolarHBondContact O-N 2.86Å; R695-D699 PolarHBondContact O-N 2.97Å; R695-E751 IonicContact CZ-OE2 2.94Å; R695-E751 IonicContact NE-OE2 2.65Å; R695-E751 IonicContact NH2-OE2 3.21Å; R695-E751 PolarHBondContact NH2-OE2 2.77Å; R695-L752 HydrophobicContact CB-CD2 4.43Å; R695-L752 HydrophobicContact CG-CD1 4.37Å; R695-L752 HydrophobicContact CG-CD2 3.6Å; R695-L752 HydrophobicContact CG-CG 4.33Å
696	S	95.3	Very high	94.3	Very high	31 Å²	31	46.4 Å²	46.4	22%	0.217	22%	0.224	C	C	.	.	H	α-helix	trans	-56.6	-41.4	176.7	-65.9	0	0	0	0	112	H692 V698 D699 E700	H692-S696 PolarHBondContact O-N 3.38Å; H692-S696 PolarHBondContact O-OG 3.14Å; S696-V698 PolarHBondContact O-N 3.38Å; S696-D699 PolarHBondContact O-N 3.41Å; S696-E700 VanDerWaalsContact O-CB 3.26Å; S696-E700 WeakPolarHBondContact O-CB 3.4Å; S696-E700 PolarHBondContact O-N 2.68Å
697	C	95	Very high	93.7	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.034	23%	0.229	C	C	.	.	I	π-helix	trans	-63.2	-42.3	177.9	-169	0	0	0	0	112.6	P652 F653 R693 L694 R695 D701 V702	P652-C697 HydrophobicContact CB-CB 4.37Å; P652-C697 HydrophobicContact CG-CB 4.03Å; F653-C697 WeakPolarHBondContact CE2-SG 3.37Å; R693-C697 VanDerWaalsContact O-CB 3.28Å; R693-C697 WeakPolarHBondContact O-CB 3.48Å; R693-C697 PolarHBondContact O-N 2.85Å; L694-C697 PolarHBondContact O-N 3.49Å; R695-C697 VanDerWaalsContact C-N 3.27Å; R695-C697 PolarHBondContact O-N 3.06Å; C697-D701 WeakPolarHBondContact O-CA 3.37Å; C697-D701 WeakPolarHBondContact O-CB 3.47Å; C697-D701 PolarHBondContact O-N 2.69Å; C697-V702 PolarHBondContact O-N 3.42Å
698	V	95.7	Very high	93	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.249	C	C	.	.	I	π-helix	trans	-70.9	-34.9	177.4	174.4	0	0	0	0	112.8	L694 R695 S696 L733 M737 K756 L757 Y761	L694-V698 WeakPolarHBondContact O-CG2 3.24Å; L694-V698 PolarHBondContact O-N 3.39Å; L694-V698 VanDerWaalsContact O-N 3.11Å; R695-V698 PolarHBondContact O-N 2.86Å; S696-V698 PolarHBondContact O-N 3.38Å; V698-L733 HydrophobicContact CG2-CD2 3.95Å; V698-M737 HydrophobicContact CG2-CE 3.53Å; V698-M737 HydrophobicContact CG2-SD 4.25Å; V698-K756 HydrophobicContact CG1-CB 3.76Å; V698-K756 WeakPolarHBondContact CG1-O 3.41Å; V698-L757 HydrophobicContact CG1-CB 4.44Å; V698-Y761 HydrophobicContact CG1-CE2 4.23Å; V698-Y761 PolarHBondContact O-OH 2.98Å
699	D	92.9	Very high	92.1	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	24%	0.24	S	C	.	.	I	π-helix	trans	-85.5	-28.7	-179.1	-85.3	-51.5	0	0	0	114.4	R695 S696 R760	R695-D699 PolarHBondContact O-N 2.97Å; S696-D699 PolarHBondContact O-N 3.41Å; D699-R760 IonicContact OD1-CZ 3.53Å; D699-R760 IonicContact OD1-NH1 2.74Å; D699-R760 PolarHBondContact OD1-NH1 2.85Å; D699-R760 IonicContact OD1-NH2 3.16Å; D699-R760 PolarHBondContact OD1-NH2 3.29Å
700	E	90.9	Very high	91.1	Very high	123 Å²	123	55.9 Å²	55.9	58%	0.575	27%	0.268	S	S	*	.	I	π-helix	trans	-104.7	-38.4	-178.2	-62.6	-176	-166.1	0	0	115.2	R470 S696	R470-E700 IonicContact CZ-OE2 3.97Å; R470-E700 IonicContact NH1-OE2 3.29Å; R470-E700 PolarHBondContact NH1-OE2 2.94Å; R470-E700 IonicContact NH2-OE2 3.41Å; R470-E700 PolarHBondContact NH2-OE2 2.68Å; S696-E700 VanDerWaalsContact O-CB 3.26Å; S696-E700 WeakPolarHBondContact O-CB 3.4Å; S696-E700 PolarHBondContact O-N 2.68Å
701	D	90.6	Very high	89.9	Confident	28 Å²	28	58 Å²	58	15%	0.15	28%	0.28	C	S	.	.	I	π-helix	trans	-101.5	-19.5	-169.3	-69.3	-74.7	0	0	0	114.2	R470 F653 C697 F703	R470-D701 IonicContact CZ-OD1 2.71Å; R470-D701 VanDerWaalsContact CZ-OD1 3.3Å; R470-D701 IonicContact CZ-OD2 3.2Å; R470-D701 IonicContact NE-OD1 2.61Å; R470-D701 PolarHBondContact NE-OD1 2.94Å; R470-D701 IonicContact NE-OD2 3.78Å; R470-D701 IonicContact NH2-OD1 2.68Å; R470-D701 PolarHBondContact NH2-OD1 3.18Å; R470-D701 VanDerWaalsContact NH2-OD1 3.1Å; R470-D701 IonicContact NH2-OD2 2.68Å; R470-D701 PolarHBondContact NH2-OD2 3.38Å; F653-D701 HydrophobicContact CE2-CB 3.71Å; F653-D701 HydrophobicContact CZ-CB 4.31Å; C697-D701 WeakPolarHBondContact O-CA 3.37Å; C697-D701 WeakPolarHBondContact O-CB 3.47Å; C697-D701 PolarHBondContact O-N 2.69Å; D701-F703 PolarHBondContact O-N 3.21Å
702	V	93.6	Very high	88.7	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	28%	0.279	C	S	.	.			trans	-80.5	105	177.7	179.8	0	0	0	0	110.4	F653 C697 A730 L733 L757 Y761	F653-V702 HydrophobicContact CZ-CG2 4.04Å; C697-V702 PolarHBondContact O-N 3.42Å; V702-A730 HydrophobicContact CG1-CB 4.27Å; V702-L733 HydrophobicContact CG2-CD2 3.54Å; V702-L757 HydrophobicContact CG1-CD1 4Å; V702-L757 HydrophobicContact CG2-CD1 4.08Å; V702-Y761 HydrophobicContact CB-CE1 4.36Å; V702-Y761 HydrophobicContact CB-CE2 4.42Å; V702-Y761 HydrophobicContact CG1-CD1 3.69Å; V702-Y761 HydrophobicContact CG1-CD2 3.92Å; V702-Y761 HydrophobicContact CG1-CE1 3.95Å; V702-Y761 HydrophobicContact CG1-CE2 4.19Å; V702-Y761 HydrophobicContact CG1-CG 3.66Å; V702-Y761 WeakPolarHBondContact O-CE1 3.21Å
703	F	91.8	Very high	87.4	Confident	93 Å²	93	57.9 Å²	57.9	41%	0.408	28%	0.279	S	S	.	.			trans	-124.4	120.5	175.4	173.6	-99.5	0	0	0	110.6	I473 A477 D701 P705 F722 Q726	I473-F703 HydrophobicContact CG2-CD1 3.74Å; I473-F703 HydrophobicContact CG2-CE1 4.4Å; A477-F703 HydrophobicContact CB-CE1 3.82Å; A477-F703 HydrophobicContact CB-CZ 4.01Å; D701-F703 PolarHBondContact O-N 3.21Å; F703-P705 HydrophobicContact CE1-CB 3.94Å; F703-P705 HydrophobicContact CE1-CG 4.2Å; F703-P705 HydrophobicContact CZ-CB 3.94Å; F703-F722 HydrophobicContact CE1-CE1 4.24Å; F703-F722 HydrophobicContact CE1-CZ 4.48Å; F703-Q726 VanDerWaalsContact O-CB 3.3Å; F703-Q726 WeakPolarHBondContact O-CB 3.49Å
704	I	90.9	Very high	86.3	Confident	19 Å²	19	59.4 Å²	59.4	10%	0.097	29%	0.291	C	S	.	.			trans	-123.3	117.2	170.5	-55.6	178.3	0	0	0	108.2	R723 Q726 F727 A730 L762	I704-R723 HydrophobicContact CG2-CG 3.98Å; I704-Q726 HydrophobicContact CG1-CB 4.31Å; I704-F727 HydrophobicContact CD1-CB 4.37Å; I704-F727 HydrophobicContact CD1-CD2 4.41Å; I704-A730 HydrophobicContact CD1-CB 4.04Å; I704-L762 HydrophobicContact CD1-CD2 4.22Å
705	P	87.9	Confident	85	Confident	10 Å²	10	65.3 Å²	65.3	7%	0.065	31%	0.313	C	S	.	.			trans	-74.7	142.9	-176.8	30.4	-36.3	0	0	0	112.4	F703 Y707 F722 R723	F703-P705 HydrophobicContact CE1-CB 3.94Å; F703-P705 HydrophobicContact CE1-CG 4.2Å; F703-P705 HydrophobicContact CZ-CB 3.94Å; P705-Y707 HydrophobicContact CB-CD2 4.4Å; P705-Y707 HydrophobicContact CB-CE2 3.68Å; P705-Y707 HydrophobicContact CG-CD2 4.44Å; P705-Y707 HydrophobicContact CG-CE2 3.57Å; P705-F722 HydrophobicContact CG-CD1 3.79Å; P705-F722 HydrophobicContact CG-CE1 3.83Å; P705-R723 HydrophobicContact CG-CB 4.14Å; P705-R723 HydrophobicContact CG-CG 4.49Å; P705-R723 WeakPolarHBondContact O-CG 3.47Å
706	L	85.6	Confident	83.9	Confident	120 Å²	120	65.8 Å²	65.8	63%	0.628	32%	0.322	S	S	*	.			trans	-103.6	119.2	176.5	-59.3	179.4	0	0	0	110.2	I764	L706-I764 HydrophobicContact CD1-CD1 3.96Å; L706-I764 HydrophobicContact CD2-CD1 4.29Å; L706-I764 HydrophobicContact CD2-CG1 4.39Å; L706-I764 HydrophobicContact CD2-CG2 4.38Å
707	Y	83.4	Confident	83.3	Confident	31 Å²	31	64.7 Å²	64.7	12%	0.122	32%	0.315	C	S	.	.			trans	-115.7	150.8	179.5	-61.6	-70.3	0	0	0	111.9	L480 P705 L712 Q719 R723	L480-Y707 WeakPolarHBondContact CB-OH 3.38Å; P705-Y707 HydrophobicContact CB-CD2 4.4Å; P705-Y707 HydrophobicContact CB-CE2 3.68Å; P705-Y707 HydrophobicContact CG-CD2 4.44Å; P705-Y707 HydrophobicContact CG-CE2 3.57Å; Y707-L712 HydrophobicContact CD2-CD2 4.38Å; Y707-L712 WeakPolarHBondContact O-CD1 3.43Å; Y707-Q719 HydrophobicContact CD1-CB 4.05Å; Y707-Q719 HydrophobicContact CD1-CG 3.83Å; Y707-Q719 HydrophobicContact CD2-CB 3.74Å; Y707-Q719 HydrophobicContact CD2-CG 4.41Å; Y707-Q719 HydrophobicContact CE1-CB 4.11Å; Y707-Q719 HydrophobicContact CE1-CG 3.73Å; Y707-Q719 HydrophobicContact CE2-CB 3.78Å; Y707-Q719 HydrophobicContact CE2-CG 4.3Å; Y707-Q719 VanDerWaalsContact CE2-O 3.25Å; Y707-Q719 WeakPolarHBondContact CE2-O 3.49Å; Y707-Q719 HydrophobicContact CG-CB 3.88Å; Y707-Q719 HydrophobicContact CG-CG 4.19Å; Y707-R723 HydrophobicContact CD2-CB 4.34Å; Y707-R723 HydrophobicContact CE2-CB 4.28Å
708	P	81.8	Confident	82.8	Confident	83 Å²	83	67.3 Å²	67.3	54%	0.539	33%	0.332	S	S	.	.			trans	-58.1	142	173.5	-24.4	34.1	0	0	0	112.9	K710 L711	P708-K710 VanDerWaalsContact C-N 3.25Å; P708-K710 PolarHBondContact O-N 2.65Å; P708-K710 VanDerWaalsContact O-N 3.1Å; P708-L711 PolarHBondContact O-N 3.22Å
709	K	77.4	Confident	82.4	Confident	106 Å²	106	67.9 Å²	67.9	46%	0.461	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-48.9	-42.2	-177.2	-72	-167.8	177.4	-176.5	0	113.7	L711 L712 E713 E769	K709-L711 PolarHBondContact O-N 3.37Å; K709-L711 VanDerWaalsContact O-N 3.1Å; K709-L712 WeakPolarHBondContact O-CA 3.28Å; K709-L712 WeakPolarHBondContact O-CB 3.47Å; K709-L712 PolarHBondContact O-N 2.97Å; K709-E713 WeakPolarHBondContact O-CG 3.23Å; K709-E713 PolarHBondContact O-N 3.35Å; K709-E713 VanDerWaalsContact O-N 3.11Å; K709-E769 IonicContact NZ-OE2 3.13Å; K709-E769 PolarHBondContact NZ-OE2 2.72Å
710	K	76.2	Confident	81.9	Confident	150 Å²	150	65.3 Å²	65.3	65%	0.652	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-48.7	-39	176.3	-58.4	179.1	-172.3	169	0	113.8	E488 P708 L712 E713	E488-K710 IonicContact OE1-NZ 2.69Å; P708-K710 VanDerWaalsContact C-N 3.25Å; P708-K710 PolarHBondContact O-N 2.65Å; P708-K710 VanDerWaalsContact O-N 3.1Å; K710-L712 VanDerWaalsContact C-N 3.33Å; K710-E713 PolarHBondContact N-OE1 3.33Å
711	L	72.6	Confident	81.6	Confident	45 Å²	45	63.9 Å²	63.9	24%	0.236	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-84.6	-7.5	-178.3	-59.2	-177.4	0	0	0	113.1	S484 P708 K709 S717	S484-L711 WeakPolarHBondContact OG-CD1 3.49Å; P708-L711 PolarHBondContact O-N 3.22Å; K709-L711 PolarHBondContact O-N 3.37Å; K709-L711 VanDerWaalsContact O-N 3.1Å; L711-S717 WeakPolarHBondContact O-CB 3.49Å; L711-S717 PolarHBondContact O-OG 3.23Å
712	L	72.2	Confident	81.4	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-11.2	179.9	-61.1	172.5	0	0	0	112.7	Y707 K709 K710 R720 M770	Y707-L712 HydrophobicContact CD2-CD2 4.38Å; Y707-L712 WeakPolarHBondContact O-CD1 3.43Å; K709-L712 WeakPolarHBondContact O-CA 3.28Å; K709-L712 WeakPolarHBondContact O-CB 3.47Å; K709-L712 PolarHBondContact O-N 2.97Å; K710-L712 VanDerWaalsContact C-N 3.33Å; L712-R720 HydrophobicContact CD2-CB 3.98Å; L712-R720 HydrophobicContact CD2-CG 4.04Å; L712-R720 WeakPolarHBondContact O-CD 3.3Å; L712-R720 PolarHBondContact O-NE 2.84Å; L712-M770 VanDerWaalsContact C-SD 3.54Å; L712-M770 HydrophobicContact CB-CB 4.27Å; L712-M770 HydrophobicContact CB-CG 3.75Å; L712-M770 HydrophobicContact CB-SD 3.73Å; L712-M770 HydrophobicContact CD1-CG 4.47Å
713	E	71.4	Confident	81.2	Confident	128 Å²	128	62.5 Å²	62.5	60%	0.598	30%	0.3	S	S	*	.	S	Bend	trans	-69.7	-31.3	176.2	-76.4	162.8	-139.3	0	0	112.4	K709 K710 M770	K709-E713 WeakPolarHBondContact O-CG 3.23Å; K709-E713 PolarHBondContact O-N 3.35Å; K709-E713 VanDerWaalsContact O-N 3.11Å; K710-E713 PolarHBondContact N-OE1 3.33Å; E713-M770 HydrophobicContact CB-SD 4.46Å; E713-M770 HydrophobicContact CG-CE 3.86Å; E713-M770 HydrophobicContact CG-SD 3.73Å
714	D	73.9	Confident	80.9	Confident	86 Å²	86	59.2 Å²	59.2	46%	0.46	29%	0.286	S	S	.	.	S	Bend	trans	-80.2	122.7	172.8	178.1	18.8	0	0	0	112	L716 S717 R720	D714-L716 PolarHBondContact O-N 2.98Å; D714-L716 PolarHBondContact OD1-N 3.25Å; D714-S717 VanDerWaalsContact O-CB 3.32Å; D714-S717 WeakPolarHBondContact O-CB 3.39Å; D714-S717 PolarHBondContact O-N 3.38Å; D714-S717 PolarHBondContact OD2-N 2.97Å; D714-R720 WeakPolarHBondContact O-CD 3.29Å
715	R	68.3	Low	80.7	Confident	124 Å²	124	62.9 Å²	62.9	47%	0.468	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	174.3	-172.6	-177.6	179.2	-145.8	-0.6	112.4	E505	E505-R715 IonicContact OE1-CZ 3.49Å; E505-R715 IonicContact OE1-NH1 3.77Å; E505-R715 PolarHBondContact OE1-NH1 3.14Å; E505-R715 IonicContact OE1-NH2 2.65Å; E505-R715 PolarHBondContact OE1-NH2 2.9Å
716	L	74.8	Confident	80.8	Confident	104 Å²	104	63.5 Å²	63.5	55%	0.545	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-11.6	-177.5	-59.7	179.9	0	0	0	114.3	D714 R721	D714-L716 PolarHBondContact O-N 2.98Å; D714-L716 PolarHBondContact OD1-N 3.25Å; L716-R721 PolarHBondContact O-NE 3.26Å
717	S	83.4	Confident	81.1	Confident	8 Å²	8	58 Å²	58	6%	0.056	28%	0.276	C	S	.	.			trans	-49.1	127.9	178.8	164.3	0	0	0	0	113.1	L711 D714 Q719 R720 R721	L711-S717 WeakPolarHBondContact O-CB 3.49Å; L711-S717 PolarHBondContact O-OG 3.23Å; D714-S717 VanDerWaalsContact O-CB 3.32Å; D714-S717 WeakPolarHBondContact O-CB 3.39Å; D714-S717 PolarHBondContact O-N 3.38Å; D714-S717 PolarHBondContact OD2-N 2.97Å; S717-Q719 PolarHBondContact OG-N 2.91Å; S717-Q719 PolarHBondContact OG-OE1 2.81Å; S717-R720 WeakPolarHBondContact O-CB 2.96Å; S717-R720 PolarHBondContact O-N 3.48Å; S717-R720 PolarHBondContact OG-N 3.07Å; S717-R721 WeakPolarHBondContact O-CG 3.35Å; S717-R721 PolarHBondContact O-N 3.43Å; S717-R721 VanDerWaalsContact O-N 3.12Å
718	P	84.2	Confident	81.4	Confident	61 Å²	61	59 Å²	59	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-71.1	-32	178.1	30.3	-34.1	0	0	0	112	L480 R720 R721 F722	L480-P718 HydrophobicContact CD2-CB 3.78Å; L480-P718 HydrophobicContact CD2-CG 3.91Å; P718-R720 VanDerWaalsContact C-N 3.27Å; P718-R720 PolarHBondContact O-N 3.49Å; P718-R721 PolarHBondContact O-N 2.93Å; P718-F722 PolarHBondContact O-N 3.04Å
719	Q	86.2	Confident	81.8	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-43.2	169.4	-70	83.5	-10.5	0	0	111	L480 S484 Y707 S717 R723	L480-Q719 HydrophobicContact CB-CG 4.35Å; L480-Q719 HydrophobicContact CD2-CG 4.5Å; L480-Q719 PolarHBondContact O-NE2 3.45Å; S484-Q719 PolarHBondContact OG-NE2 3.03Å; S484-Q719 VanDerWaalsContact OG-NE2 3.09Å; Y707-Q719 HydrophobicContact CD1-CB 4.05Å; Y707-Q719 HydrophobicContact CD1-CG 3.83Å; Y707-Q719 HydrophobicContact CD2-CB 3.74Å; Y707-Q719 HydrophobicContact CD2-CG 4.41Å; Y707-Q719 HydrophobicContact CE1-CB 4.11Å; Y707-Q719 HydrophobicContact CE1-CG 3.73Å; Y707-Q719 HydrophobicContact CE2-CB 3.78Å; Y707-Q719 HydrophobicContact CE2-CG 4.3Å; Y707-Q719 VanDerWaalsContact CE2-O 3.25Å; Y707-Q719 WeakPolarHBondContact CE2-O 3.49Å; Y707-Q719 HydrophobicContact CG-CB 3.88Å; Y707-Q719 HydrophobicContact CG-CG 4.19Å; S717-Q719 PolarHBondContact OG-N 2.91Å; S717-Q719 PolarHBondContact OG-OE1 2.81Å; Q719-R723 WeakPolarHBondContact O-CB 3.35Å; Q719-R723 PolarHBondContact O-N 3.14Å
720	R	82.6	Confident	82.6	Confident	25 Å²	25	51.9 Å²	51.9	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-42.1	178.6	-165.2	-166.3	176.3	-61.3	-17.9	111.7	L712 D714 S717 P718 D724 M770	L712-R720 HydrophobicContact CD2-CB 3.98Å; L712-R720 HydrophobicContact CD2-CG 4.04Å; L712-R720 WeakPolarHBondContact O-CD 3.3Å; L712-R720 PolarHBondContact O-NE 2.84Å; D714-R720 WeakPolarHBondContact O-CD 3.29Å; S717-R720 WeakPolarHBondContact O-CB 2.96Å; S717-R720 PolarHBondContact O-N 3.48Å; S717-R720 PolarHBondContact OG-N 3.07Å; P718-R720 VanDerWaalsContact C-N 3.27Å; P718-R720 PolarHBondContact O-N 3.49Å; R720-D724 IonicContact CZ-OD2 3.13Å; R720-D724 IonicContact NH1-OD2 2.88Å; R720-D724 PolarHBondContact NH1-OD2 3.05Å; R720-D724 IonicContact NH2-OD2 3.85Å; R720-D724 PolarHBondContact NH2-OD2 3.42Å; R720-D724 WeakPolarHBondContact O-CB 3.32Å; R720-D724 VanDerWaalsContact O-CG 3.26Å; R720-D724 PolarHBondContact O-N 3.2Å; R720-D724 VanDerWaalsContact O-N 3.1Å; R720-M770 PolarHBondContact NH2-O 3.37Å
721	R	83.9	Confident	83.4	Confident	93 Å²	93	44.8 Å²	44.8	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-55.2	178.6	-67.7	177.1	-170.3	-163.5	1.5	112.1	L716 S717 P718 R723 D724 E725	L716-R721 PolarHBondContact O-NE 3.26Å; S717-R721 WeakPolarHBondContact O-CG 3.35Å; S717-R721 PolarHBondContact O-N 3.43Å; S717-R721 VanDerWaalsContact O-N 3.12Å; P718-R721 PolarHBondContact O-N 2.93Å; R721-R723 VanDerWaalsContact C-N 3.29Å; R721-R723 PolarHBondContact O-N 3.27Å; R721-D724 PolarHBondContact O-N 2.86Å; R721-E725 WeakPolarHBondContact O-CG 3.49Å; R721-E725 PolarHBondContact O-N 3.03Å
722	F	88.1	Confident	84.4	Confident	3 Å²	3	43 Å²	43	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-40.6	-178.7	176.1	-115.6	0	0	0	112.3	I473 E476 A477 L480 F703 P705 P718 E725 Q726	I473-F722 HydrophobicContact CG2-CZ 4.05Å; I473-F722 WeakPolarHBondContact O-CZ 3.25Å; E476-F722 HydrophobicContact CB-CD2 4.34Å; E476-F722 HydrophobicContact CB-CE2 3.91Å; E476-F722 HydrophobicContact CB-CZ 4.16Å; E476-F722 HydrophobicContact CG-CD1 4.38Å; E476-F722 HydrophobicContact CG-CD2 3.61Å; E476-F722 HydrophobicContact CG-CE1 4.45Å; E476-F722 HydrophobicContact CG-CE2 3.7Å; E476-F722 HydrophobicContact CG-CG 3.98Å; E476-F722 HydrophobicContact CG-CZ 4.13Å; A477-F722 HydrophobicContact CB-CE1 3.87Å; A477-F722 HydrophobicContact CB-CZ 4.16Å; L480-F722 HydrophobicContact CD1-CB 3.45Å; L480-F722 VanDerWaalsContact CD1-CB 3.45Å; L480-F722 HydrophobicContact CD1-CD1 3.53Å; L480-F722 HydrophobicContact CD1-CD2 4.5Å; L480-F722 HydrophobicContact CD1-CE1 4.39Å; L480-F722 HydrophobicContact CD1-CG 3.59Å; F703-F722 HydrophobicContact CE1-CE1 4.24Å; F703-F722 HydrophobicContact CE1-CZ 4.48Å; P705-F722 HydrophobicContact CG-CD1 3.79Å; P705-F722 HydrophobicContact CG-CE1 3.83Å; P718-F722 PolarHBondContact O-N 3.04Å; F722-E725 PolarHBondContact O-N 3.06Å; F722-Q726 HydrophobicContact CD2-CG 4.48Å; F722-Q726 HydrophobicContact CE2-CG 4.14Å; F722-Q726 HydrophobicContact CZ-CG 4.16Å; F722-Q726 WeakPolarHBondContact O-CG 3.48Å; F722-Q726 PolarHBondContact O-N 3.38Å
723	R	88.2	Confident	85.5	Confident	6 Å²	6	42.8 Å²	42.8	2%	0.023	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-48.4	172	-176.6	-158.8	69.6	155.6	3.2	112.4	I704 P705 Y707 Q719 R721 E725 Q726 F727	I704-R723 HydrophobicContact CG2-CG 3.98Å; P705-R723 HydrophobicContact CG-CB 4.14Å; P705-R723 HydrophobicContact CG-CG 4.49Å; P705-R723 WeakPolarHBondContact O-CG 3.47Å; Y707-R723 HydrophobicContact CD2-CB 4.34Å; Y707-R723 HydrophobicContact CE2-CB 4.28Å; Q719-R723 WeakPolarHBondContact O-CB 3.35Å; Q719-R723 PolarHBondContact O-N 3.14Å; R721-R723 VanDerWaalsContact C-N 3.29Å; R721-R723 PolarHBondContact O-N 3.27Å; R723-E725 VanDerWaalsContact C-N 3.28Å; R723-E725 PolarHBondContact O-N 3.48Å; R723-Q726 PolarHBondContact O-N 2.81Å; R723-F727 WeakPolarHBondContact O-CB 3.5Å; R723-F727 PolarHBondContact O-N 3.2Å
724	D	85.4	Confident	86.7	Confident	24 Å²	24	36.7 Å²	36.7	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-35.6	-179.7	-74.3	14.9	0	0	0	110.9	R720 R721 F727 W728	R720-D724 IonicContact CZ-OD2 3.13Å; R720-D724 IonicContact NH1-OD2 2.88Å; R720-D724 PolarHBondContact NH1-OD2 3.05Å; R720-D724 IonicContact NH2-OD2 3.85Å; R720-D724 PolarHBondContact NH2-OD2 3.42Å; R720-D724 WeakPolarHBondContact O-CB 3.32Å; R720-D724 VanDerWaalsContact O-CG 3.26Å; R720-D724 PolarHBondContact O-N 3.2Å; R720-D724 VanDerWaalsContact O-N 3.1Å; R721-D724 PolarHBondContact O-N 2.86Å; D724-F727 PolarHBondContact O-N 3.34Å; D724-W728 PolarHBondContact O-N 3.08Å
725	E	86.5	Confident	87.7	Confident	97 Å²	97	33.5 Å²	33.5	45%	0.453	16%	0.16	S	C	.	.	H	α-helix	trans	-64	-49.9	173.2	-71.2	162.7	-149	0	0	112.2	R721 F722 R723 F727 W728 M729	R721-E725 WeakPolarHBondContact O-CG 3.49Å; R721-E725 PolarHBondContact O-N 3.03Å; F722-E725 PolarHBondContact O-N 3.06Å; R723-E725 VanDerWaalsContact C-N 3.28Å; R723-E725 PolarHBondContact O-N 3.48Å; E725-F727 VanDerWaalsContact C-N 3.27Å; E725-F727 PolarHBondContact O-N 2.98Å; E725-W728 PolarHBondContact O-N 3.34Å; E725-W728 VanDerWaalsContact O-N 3.16Å; E725-M729 WeakPolarHBondContact O-CG 3.44Å; E725-M729 PolarHBondContact O-N 2.95Å
726	Q	90.7	Very high	89	Confident	22 Å²	22	27.7 Å²	27.7	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-35.5	176	-64.3	-38.2	-63.4	0	0	112.3	F703 I704 F722 R723 M729 A730	F703-Q726 VanDerWaalsContact O-CB 3.3Å; F703-Q726 WeakPolarHBondContact O-CB 3.49Å; I704-Q726 HydrophobicContact CG1-CB 4.31Å; F722-Q726 HydrophobicContact CD2-CG 4.48Å; F722-Q726 HydrophobicContact CE2-CG 4.14Å; F722-Q726 HydrophobicContact CZ-CG 4.16Å; F722-Q726 WeakPolarHBondContact O-CG 3.48Å; F722-Q726 PolarHBondContact O-N 3.38Å; R723-Q726 PolarHBondContact O-N 2.81Å; Q726-M729 WeakPolarHBondContact O-CB 3.45Å; Q726-M729 PolarHBondContact O-N 3.41Å; Q726-A730 PolarHBondContact O-N 2.97Å
727	F	91.1	Very high	90	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-45.1	172.8	173.4	-86.8	0	0	0	111.8	I704 R723 D724 E725 M729 A730 V731 L762 T765 L766 T778 I782	I704-F727 HydrophobicContact CD1-CB 4.37Å; I704-F727 HydrophobicContact CD1-CD2 4.41Å; R723-F727 WeakPolarHBondContact O-CB 3.5Å; R723-F727 PolarHBondContact O-N 3.2Å; D724-F727 PolarHBondContact O-N 3.34Å; E725-F727 VanDerWaalsContact C-N 3.27Å; E725-F727 PolarHBondContact O-N 2.98Å; F727-M729 VanDerWaalsContact C-N 3.34Å; F727-M729 PolarHBondContact O-N 3.47Å; F727-A730 PolarHBondContact O-N 3.4Å; F727-V731 HydrophobicContact CD1-CG2 4.25Å; F727-V731 HydrophobicContact CE1-CG2 3.77Å; F727-V731 HydrophobicContact CZ-CG2 3.99Å; F727-V731 WeakPolarHBondContact O-CG2 3.49Å; F727-V731 PolarHBondContact O-N 2.95Å; F727-L762 HydrophobicContact CD2-CD2 3.69Å; F727-L762 HydrophobicContact CE2-CB 4.11Å; F727-L762 HydrophobicContact CE2-CD2 3.64Å; F727-L762 HydrophobicContact CE2-CG 4.47Å; F727-L762 HydrophobicContact CG-CD2 4.42Å; F727-L762 HydrophobicContact CZ-CD2 4.31Å; F727-T765 HydrophobicContact CB-CG2 4.37Å; F727-T765 HydrophobicContact CD2-CG2 3.55Å; F727-T765 HydrophobicContact CE2-CG2 4.12Å; F727-T765 HydrophobicContact CG-CG2 4.13Å; F727-L766 HydrophobicContact CE2-CD2 4.29Å; F727-L766 HydrophobicContact CE2-CG 4.22Å; F727-L766 HydrophobicContact CZ-CD2 3.91Å; F727-L766 HydrophobicContact CZ-CG 4.3Å; F727-T778 HydrophobicContact CE1-CG2 3.47Å; F727-T778 VanDerWaalsContact CE1-CG2 3.47Å; F727-T778 HydrophobicContact CZ-CG2 3.47Å; F727-T778 VanDerWaalsContact CZ-CG2 3.47Å; F727-I782 HydrophobicContact CZ-CD1 4.09Å
728	W	90.2	Very high	90.6	Very high	52 Å²	52	23.1 Å²	23.1	20%	0.197	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-29.4	175.8	-74.6	116.4	0	0	0	113.3	P511 D724 E725 V731 K732 T778 K781	P511-W728 HydrophobicContact CG-CB 4.11Å; D724-W728 PolarHBondContact O-N 3.08Å; E725-W728 PolarHBondContact O-N 3.34Å; E725-W728 VanDerWaalsContact O-N 3.16Å; W728-V731 HydrophobicContact CE3-CB 4.04Å; W728-V731 HydrophobicContact CE3-CG1 4.07Å; W728-V731 HydrophobicContact CE3-CG2 4.35Å; W728-V731 HydrophobicContact CZ3-CB 4.46Å; W728-V731 HydrophobicContact CZ3-CG1 4.05Å; W728-V731 PolarHBondContact O-N 3.32Å; W728-K732 WeakPolarHBondContact O-CB 3.42Å; W728-K732 PolarHBondContact O-N 2.83Å; W728-T778 HydrophobicContact CH2-CG2 4.35Å; W728-K781 HydrophobicContact CH2-CB 4.11Å; W728-K781 HydrophobicContact CH2-CG 4.17Å; W728-K781 HydrophobicContact CZ3-CB 3.85Å; W728-K781 HydrophobicContact CZ3-CG 4.11Å
729	M	90.9	Very high	91	Very high	38 Å²	38	22.1 Å²	22.1	19%	0.187	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-42	167.8	-72.3	-63.1	-56.8	0	0	111.9	P511 F653 E725 Q726 F727 K732 L733	P511-M729 HydrophobicContact CB-SD 3.49Å; P511-M729 WeakPolarHBondContact CB-SD 3.47Å; P511-M729 HydrophobicContact CG-CG 4.32Å; P511-M729 HydrophobicContact CG-SD 3.83Å; F653-M729 HydrophobicContact CB-CE 3.87Å; F653-M729 HydrophobicContact CD1-CE 3.56Å; F653-M729 HydrophobicContact CE1-CB 4.34Å; F653-M729 HydrophobicContact CE1-CE 4.27Å; F653-M729 HydrophobicContact CG-CE 3.9Å; E725-M729 WeakPolarHBondContact O-CG 3.44Å; E725-M729 PolarHBondContact O-N 2.95Å; Q726-M729 WeakPolarHBondContact O-CB 3.45Å; Q726-M729 PolarHBondContact O-N 3.41Å; F727-M729 VanDerWaalsContact C-N 3.34Å; F727-M729 PolarHBondContact O-N 3.47Å; M729-K732 WeakPolarHBondContact O-CB 3.42Å; M729-K732 PolarHBondContact O-N 3.09Å; M729-L733 PolarHBondContact O-N 3.36Å
730	A	94.2	Very high	91.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-69.4	-35.2	176.1	0	0	0	0	0	112.9	V702 I704 Q726 F727 L733 L734 L757 L762	V702-A730 HydrophobicContact CG1-CB 4.27Å; I704-A730 HydrophobicContact CD1-CB 4.04Å; Q726-A730 PolarHBondContact O-N 2.97Å; F727-A730 PolarHBondContact O-N 3.4Å; A730-L733 PolarHBondContact O-N 3Å; A730-L734 PolarHBondContact O-N 3.4Å; A730-L757 HydrophobicContact CB-CD1 4.23Å; A730-L762 HydrophobicContact CB-CD2 3.66Å
731	V	93.1	Very high	92	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-68	-35.3	170.9	176.2	0	0	0	0	111.7	F727 W728 L734 G735 L762 I782	F727-V731 HydrophobicContact CD1-CG2 4.25Å; F727-V731 HydrophobicContact CE1-CG2 3.77Å; F727-V731 HydrophobicContact CZ-CG2 3.99Å; F727-V731 WeakPolarHBondContact O-CG2 3.49Å; F727-V731 PolarHBondContact O-N 2.95Å; W728-V731 HydrophobicContact CE3-CB 4.04Å; W728-V731 HydrophobicContact CE3-CG1 4.07Å; W728-V731 HydrophobicContact CE3-CG2 4.35Å; W728-V731 HydrophobicContact CZ3-CB 4.46Å; W728-V731 HydrophobicContact CZ3-CG1 4.05Å; W728-V731 PolarHBondContact O-N 3.32Å; V731-L734 WeakPolarHBondContact O-CB 3.43Å; V731-L734 PolarHBondContact O-N 2.87Å; V731-G735 PolarHBondContact O-N 3.11Å; V731-L762 HydrophobicContact CG2-CD1 4.1Å; V731-L762 HydrophobicContact CG2-CD2 3.93Å; V731-I782 HydrophobicContact CG1-CG1 4.33Å; V731-I782 HydrophobicContact CG2-CD1 4.32Å; V731-I782 HydrophobicContact CG2-CG1 4Å
732	K	93.4	Very high	92.3	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-42.6	172.5	-173.6	-173	-178.8	-167.8	0	111.5	L510 P511 D513 F653 W728 M729 G735 N736	L510-K732 HydrophobicContact CD2-CB 4.05Å; L510-K732 HydrophobicContact CD2-CG 4.29Å; P511-K732 WeakPolarHBondContact O-CD 3.28Å; P511-K732 VanDerWaalsContact O-CE 3.22Å; P511-K732 WeakPolarHBondContact O-CE 3.3Å; P511-K732 PolarHBondContact O-NZ 3.21Å; D513-K732 WeakPolarHBondContact OD1-CE 3.34Å; D513-K732 IonicContact OD1-NZ 3.02Å; D513-K732 PolarHBondContact OD1-NZ 3.33Å; F653-K732 WeakPolarHBondContact O-CE 3.36Å; F653-K732 PolarHBondContact O-NZ 2.91Å; W728-K732 WeakPolarHBondContact O-CB 3.42Å; W728-K732 PolarHBondContact O-N 2.83Å; M729-K732 WeakPolarHBondContact O-CB 3.42Å; M729-K732 PolarHBondContact O-N 3.09Å; K732-G735 PolarHBondContact O-N 3.49Å; K732-N736 PolarHBondContact O-N 3.3Å
733	L	95.9	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-45.5	173	-179.2	62.3	0	0	0	111.4	P652 F653 V698 V702 M729 A730 G735 N736 M737 L757	P652-L733 HydrophobicContact CB-CD1 3.58Å; F653-L733 HydrophobicContact CD1-CB 3.92Å; F653-L733 HydrophobicContact CE1-CB 3.76Å; F653-L733 HydrophobicContact CE1-CD2 3.98Å; F653-L733 HydrophobicContact CE1-CG 4.35Å; F653-L733 HydrophobicContact CZ-CD2 3.93Å; V698-L733 HydrophobicContact CG2-CD2 3.95Å; V702-L733 HydrophobicContact CG2-CD2 3.54Å; M729-L733 PolarHBondContact O-N 3.36Å; A730-L733 PolarHBondContact O-N 3Å; L733-G735 VanDerWaalsContact C-N 3.32Å; L733-G735 PolarHBondContact O-N 2.88Å; L733-N736 CarbonylContact O-C 3.56Å; L733-N736 PolarHBondContact O-N 3.35Å; L733-N736 VanDerWaalsContact O-N 3.07Å; L733-M737 HydrophobicContact CD1-CG 4.4Å; L733-M737 HydrophobicContact CG-CG 4.45Å; L733-M737 HydrophobicContact CG-SD 4.28Å; L733-M737 WeakPolarHBondContact O-CG 3.43Å; L733-M737 PolarHBondContact O-N 3.16Å; L733-L757 HydrophobicContact CB-CD2 4.34Å; L733-L757 HydrophobicContact CD2-CD1 4.47Å; L733-L757 HydrophobicContact CD2-CD2 4.16Å; L733-L757 HydrophobicContact CG-CD2 4.1Å
734	L	96	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-46.3	175.7	-173.5	72.2	0	0	0	111.6	A730 V731 N736 M737 G738 M753 L757 L762 I782 C785	A730-L734 PolarHBondContact O-N 3.4Å; V731-L734 WeakPolarHBondContact O-CB 3.43Å; V731-L734 PolarHBondContact O-N 2.87Å; L734-N736 VanDerWaalsContact C-N 3.35Å; L734-N736 PolarHBondContact O-N 2.93Å; L734-M737 PolarHBondContact O-N 2.71Å; L734-G738 PolarHBondContact O-N 3.43Å; L734-G738 VanDerWaalsContact O-N 3.07Å; L734-M753 HydrophobicContact CD1-CB 3.67Å; L734-M753 HydrophobicContact CD1-CE 3.79Å; L734-M753 HydrophobicContact CD1-CG 4.01Å; L734-M753 HydrophobicContact CG-CE 4.12Å; L734-M753 WeakPolarHBondContact O-CE 3.26Å; L734-L757 HydrophobicContact CB-CD2 3.87Å; L734-L757 HydrophobicContact CD1-CD2 4.03Å; L734-L762 HydrophobicContact CD2-CD1 4.13Å; L734-I782 HydrophobicContact CD2-CG2 4.09Å; L734-C785 HydrophobicContact CB-CB 4.45Å; L734-C785 HydrophobicContact CD2-CB 3.97Å; L734-C785 HydrophobicContact CG-CB 3.99Å
735	G	94.8	Very high	93	Very high	19 Å²	19	24 Å²	24	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-27.9	176.5	0	0	0	0	0	114.5	V731 K732 L733 C785	V731-G735 PolarHBondContact O-N 3.11Å; K732-G735 PolarHBondContact O-N 3.49Å; L733-G735 VanDerWaalsContact C-N 3.32Å; L733-G735 PolarHBondContact O-N 2.88Å; G735-C785 VanDerWaalsContact CA-SG 3.54Å
736	N	95.7	Very high	93.3	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-76.2	-33.2	171.9	-78.3	-15.2	0	0	0	112.4	P652 S654 H655 K732 L733 L734 K739	P652-N736 WeakPolarHBondContact O-CB 3.27Å; P652-N736 PolarHBondContact O-ND2 3.41Å; S654-N736 PolarHBondContact O-ND2 3.01Å; S654-N736 VanDerWaalsContact O-ND2 3.09Å; H655-N736 WeakPolarHBondContact CA-OD1 3.38Å; H655-N736 PolarHBondContact ND1-OD1 3.38Å; K732-N736 PolarHBondContact O-N 3.3Å; L733-N736 CarbonylContact O-C 3.56Å; L733-N736 PolarHBondContact O-N 3.35Å; L733-N736 VanDerWaalsContact O-N 3.07Å; L734-N736 VanDerWaalsContact C-N 3.35Å; L734-N736 PolarHBondContact O-N 2.93Å; N736-K739 PolarHBondContact OD1-NZ 2.85Å
737	M	96.3	Very high	93.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-41.3	172.9	-70.4	177.5	126.9	0	0	111.5	L694 V698 L733 L734 K739 W740 L749 L752 M753 L757	L694-M737 HydrophobicContact CB-CE 3.86Å; L694-M737 HydrophobicContact CD1-CE 4.38Å; L694-M737 HydrophobicContact CD2-CE 4.04Å; L694-M737 HydrophobicContact CD2-CG 4.02Å; L694-M737 HydrophobicContact CG-CE 4.32Å; V698-M737 HydrophobicContact CG2-CE 3.53Å; V698-M737 HydrophobicContact CG2-SD 4.25Å; L733-M737 HydrophobicContact CD1-CG 4.4Å; L733-M737 HydrophobicContact CG-CG 4.45Å; L733-M737 HydrophobicContact CG-SD 4.28Å; L733-M737 WeakPolarHBondContact O-CG 3.43Å; L733-M737 PolarHBondContact O-N 3.16Å; L734-M737 PolarHBondContact O-N 2.71Å; M737-K739 PolarHBondContact O-N 3.13Å; M737-K739 VanDerWaalsContact O-N 3.08Å; M737-W740 WeakPolarHBondContact O-CB 3.25Å; M737-W740 PolarHBondContact O-N 2.96Å; M737-L749 HydrophobicContact CB-CD1 4.37Å; M737-L752 HydrophobicContact CE-CB 3.85Å; M737-L752 HydrophobicContact CE-CD1 4.19Å; M737-L752 HydrophobicContact CE-CD2 4.05Å; M737-L752 HydrophobicContact CE-CG 4.27Å; M737-M753 HydrophobicContact CB-CE 4.49Å; M737-M753 HydrophobicContact CB-CG 3.59Å; M737-M753 HydrophobicContact CB-SD 3.72Å; M737-M753 HydrophobicContact CG-CG 4.41Å; M737-M753 HydrophobicContact SD-CG 3.98Å; M737-L757 HydrophobicContact SD-CD2 3.83Å
738	G	94.7	Very high	93.7	Very high	15 Å²	15	29.1 Å²	29.1	16%	0.155	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.8	179.2	0	0	0	0	0	115	L734 W740 D741	L734-G738 PolarHBondContact O-N 3.43Å; L734-G738 VanDerWaalsContact O-N 3.07Å; G738-W740 PolarHBondContact O-N 3.38Å; G738-D741 WeakPolarHBondContact O-CB 3.33Å; G738-D741 PolarHBondContact O-N 2.89Å
739	K	93.7	Very high	93.9	Very high	40 Å²	40	26.6 Å²	26.6	17%	0.174	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.9	-17.8	175.3	-61.3	172.3	-179.8	170.1	0	113.8	H655 T659 H666 N736 M737 D741	H655-K739 PolarHBondContact CE1-NZ 3Å; H655-K739 PolarHBondContact ND1-NZ 3.45Å; H655-K739 PolarHBondContact NE2-NZ 3.28Å; H655-K739 PolarHBondContact O-NZ 3.33Å; H655-K739 VanDerWaalsContact O-NZ 3.11Å; T659-K739 WeakPolarHBondContact OG1-CE 3.44Å; T659-K739 PolarHBondContact OG1-NZ 3.03Å; H666-K739 PolarHBondContact NE2-O 2.88Å; H666-K739 VanDerWaalsContact NE2-O 3.12Å; N736-K739 PolarHBondContact OD1-NZ 2.85Å; M737-K739 PolarHBondContact O-N 3.13Å; M737-K739 VanDerWaalsContact O-N 3.08Å; K739-D741 VanDerWaalsContact C-N 3.34Å
740	W	95.4	Very high	94.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-91.1	6.5	179.2	-64.7	93.8	0	0	0	113.9	W650 L661 F686 V690 M737 G738 L743 L744 L749	W650-W740 AromaticContact CH2-CE2 3.63Å; W650-W740 AromaticContact CH2-CZ2 3.46Å; W650-W740 HydrophobicContact CH2-CZ2 3.46Å; W650-W740 VanDerWaalsContact CH2-CZ2 3.46Å; W650-W740 AromaticContact CH2-NE1 3.48Å; W650-W740 AromaticContact CZ2-CE2 3.95Å; W650-W740 AromaticContact CZ2-CZ2 3.76Å; W650-W740 HydrophobicContact CZ2-CZ2 3.76Å; W650-W740 AromaticContact CZ2-NE1 3.56Å; W650-W740 AromaticContact CZ3-CZ2 3.92Å; W650-W740 HydrophobicContact CZ3-CZ2 3.92Å; L661-W740 HydrophobicContact CD2-CH2 3.7Å; L661-W740 HydrophobicContact CD2-CZ2 3.67Å; L661-W740 HydrophobicContact CG-CH2 3.75Å; L661-W740 HydrophobicContact CG-CZ2 4Å; F686-W740 HydrophobicContact CE1-CZ3 4.16Å; F686-W740 HydrophobicContact CZ-CH2 4.19Å; F686-W740 HydrophobicContact CZ-CZ3 4.24Å; V690-W740 HydrophobicContact CB-CH2 4.35Å; V690-W740 HydrophobicContact CB-CZ3 4.36Å; V690-W740 HydrophobicContact CG1-CD2 3.85Å; V690-W740 HydrophobicContact CG1-CE3 3.78Å; V690-W740 HydrophobicContact CG1-CH2 3.76Å; V690-W740 HydrophobicContact CG1-CZ2 3.85Å; V690-W740 HydrophobicContact CG1-CZ3 3.74Å; V690-W740 HydrophobicContact CG2-CH2 3.55Å; V690-W740 HydrophobicContact CG2-CZ2 4.28Å; V690-W740 HydrophobicContact CG2-CZ3 3.75Å; M737-W740 WeakPolarHBondContact O-CB 3.25Å; M737-W740 PolarHBondContact O-N 2.96Å; G738-W740 PolarHBondContact O-N 3.38Å; W740-L743 HydrophobicContact CE3-CB 4.4Å; W740-L743 HydrophobicContact CE3-CD1 4.09Å; W740-L743 PolarHBondContact O-N 2.91Å; W740-L744 HydrophobicContact CB-CD1 3.64Å; W740-L744 HydrophobicContact CB-CG 3.95Å; W740-L744 HydrophobicContact CD2-CD1 4.46Å; W740-L744 HydrophobicContact CE3-CG 4.4Å; W740-L744 HydrophobicContact CG-CD1 4.12Å; W740-L744 PolarHBondContact O-N 3.27Å; W740-L749 HydrophobicContact CB-CD2 4.46Å
741	D	93.8	Very high	94.1	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.112	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	152.9	167.3	-166.2	57.3	0	0	0	111.1	H666 G738 K739 L743 L749 P787 S789 W790	H666-D741 PolarHBondContact CE1-O 3.45Å; H666-D741 VanDerWaalsContact CE1-O 3.29Å; G738-D741 WeakPolarHBondContact O-CB 3.33Å; G738-D741 PolarHBondContact O-N 2.89Å; K739-D741 VanDerWaalsContact C-N 3.34Å; D741-L743 PolarHBondContact O-N 2.77Å; D741-L749 HydrophobicContact CB-CD2 4.21Å; D741-P787 HydrophobicContact CB-CB 3.88Å; D741-P787 HydrophobicContact CB-CG 3.7Å; D741-S789 VanDerWaalsContact CG-OG 3.29Å; D741-S789 PolarHBondContact OD1-OG 2.92Å; D741-S789 WeakPolarHBondContact OD2-CB 3.43Å; D741-S789 PolarHBondContact OD2-OG 3.4Å; D741-W790 PolarHBondContact OD1-NE1 3.03Å
742	L	90.6	Very high	94.3	Very high	99 Å²	99	27.9 Å²	27.9	52%	0.518	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-14.1	-170.4	-47.2	-178.1	0	0	0	116.5
743	L	91.8	Very high	94.4	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.063	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-35.9	177.3	-64.2	171.2	0	0	0	112.9	C665 R669 F675 W740 D741	C665-L743 HydrophobicContact CB-CD1 3.49Å; C665-L743 VanDerWaalsContact CB-CD1 3.49Å; C665-L743 HydrophobicContact CB-CD2 3.97Å; C665-L743 HydrophobicContact CB-CG 4.36Å; R669-L743 HydrophobicContact CB-CD2 4.22Å; F675-L743 HydrophobicContact CD2-CD2 4.27Å; F675-L743 HydrophobicContact CE2-CD2 4.5Å; F675-L743 HydrophobicContact CG-CD2 4.49Å; W740-L743 HydrophobicContact CE3-CB 4.4Å; W740-L743 HydrophobicContact CE3-CD1 4.09Å; W740-L743 PolarHBondContact O-N 2.91Å; D741-L743 PolarHBondContact O-N 2.77Å
744	L	93.4	Very high	94.4	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	16%	0.157	C	C	.	.	S	Bend	trans	-103.8	152.6	177.4	-64.7	-178.2	0	0	0	111.5	I687 V690 V691 L694 W740 E746 L749	I687-L744 HydrophobicContact CG2-CD2 3.93Å; V690-L744 HydrophobicContact CB-CD2 4.48Å; V690-L744 HydrophobicContact CG1-CD1 3.98Å; V690-L744 HydrophobicContact CG1-CD2 4.16Å; V691-L744 HydrophobicContact CG2-CD1 4.18Å; V691-L744 HydrophobicContact CG2-CD2 3.88Å; L694-L744 HydrophobicContact CD1-CD1 4.11Å; W740-L744 HydrophobicContact CB-CD1 3.64Å; W740-L744 HydrophobicContact CB-CG 3.95Å; W740-L744 HydrophobicContact CD2-CD1 4.46Å; W740-L744 HydrophobicContact CE3-CG 4.4Å; W740-L744 HydrophobicContact CG-CD1 4.12Å; W740-L744 PolarHBondContact O-N 3.27Å; L744-E746 PolarHBondContact O-N 2.88Å; L744-E746 VanDerWaalsContact O-N 3.15Å; L744-L749 HydrophobicContact CD1-CD1 4.41Å
745	P	91.9	Very high	94.3	Very high	58 Å²	58	30.8 Å²	30.8	38%	0.377	17%	0.174	S	C	.	.			trans	-57.3	120.9	172.1	-24.6	34.9	0	0	0	111.3	S747 I748 L749	P745-S747 PolarHBondContact O-N 3.49Å; P745-S747 VanDerWaalsContact O-N 3.09Å; P745-I748 HydrophobicContact CB-CD1 4.05Å; P745-I748 HydrophobicContact CB-CG1 4.21Å; P745-I748 HydrophobicContact CG-CD1 4.04Å; P745-I748 WeakPolarHBondContact O-CA 3.37Å; P745-I748 WeakPolarHBondContact O-CB 3.48Å; P745-I748 PolarHBondContact O-N 2.89Å; P745-L749 PolarHBondContact O-N 3.33Å; P745-L749 VanDerWaalsContact O-N 3.14Å
746	E	92.6	Very high	94.3	Very high	98 Å²	98	33 Å²	33	46%	0.458	18%	0.178	S	C	.	.	H	α-helix	trans	-50.6	-38.7	-173.3	-168	-157.2	138.6	0	0	113.3	L744 I748 L749 K750	L744-E746 PolarHBondContact O-N 2.88Å; L744-E746 VanDerWaalsContact O-N 3.15Å; E746-I748 VanDerWaalsContact C-N 3.34Å; E746-I748 PolarHBondContact O-N 3.05Å; E746-L749 PolarHBondContact O-N 3.06Å; E746-K750 HydrophobicContact CG-CD 4.18Å; E746-K750 WeakPolarHBondContact O-CB 3.33Å; E746-K750 WeakPolarHBondContact O-CG 3.42Å; E746-K750 PolarHBondContact O-N 2.72Å; E746-K750 WeakPolarHBondContact OE1-CE 3.37Å; E746-K750 IonicContact OE1-NZ 3.21Å; E746-K750 PolarHBondContact OE1-NZ 3.36Å
747	S	93.4	Very high	94.3	Very high	92 Å²	92	32.9 Å²	32.9	64%	0.643	18%	0.178	S	C	*	.	H	α-helix	trans	-64.7	-34	177.5	56.6	0	0	0	0	113.8	P745 E751	P745-S747 PolarHBondContact O-N 3.49Å; P745-S747 VanDerWaalsContact O-N 3.09Å; S747-E751 WeakPolarHBondContact O-CB 3.47Å; S747-E751 PolarHBondContact O-N 3.41Å
748	I	94.9	Very high	94.2	Very high	41 Å²	41	32.9 Å²	32.9	21%	0.21	18%	0.178	C	C	.	.	H	α-helix	trans	-74.8	-39.7	175.6	-61.3	178.3	0	0	0	109.9	V691 P745 E746 E751 L752	V691-I748 HydrophobicContact CB-CG2 4.48Å; V691-I748 HydrophobicContact CG1-CG2 3.67Å; V691-I748 HydrophobicContact CG2-CG2 3.92Å; P745-I748 HydrophobicContact CB-CD1 4.05Å; P745-I748 HydrophobicContact CB-CG1 4.21Å; P745-I748 HydrophobicContact CG-CD1 4.04Å; P745-I748 WeakPolarHBondContact O-CA 3.37Å; P745-I748 WeakPolarHBondContact O-CB 3.48Å; P745-I748 PolarHBondContact O-N 2.89Å; E746-I748 VanDerWaalsContact C-N 3.34Å; E746-I748 PolarHBondContact O-N 3.05Å; I748-E751 PolarHBondContact O-N 2.69Å; I748-L752 HydrophobicContact CG2-CD1 4.21Å; I748-L752 WeakPolarHBondContact O-CB 3.34Å; I748-L752 WeakPolarHBondContact O-CG 3.48Å; I748-L752 PolarHBondContact O-N 2.84Å
749	L	95.5	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.9	-39	179.3	-165.8	58.1	0	0	0	111.5	M737 W740 D741 L744 P745 E746 L752 M753 W790	M737-L749 HydrophobicContact CB-CD1 4.37Å; W740-L749 HydrophobicContact CB-CD2 4.46Å; D741-L749 HydrophobicContact CB-CD2 4.21Å; L744-L749 HydrophobicContact CD1-CD1 4.41Å; P745-L749 PolarHBondContact O-N 3.33Å; P745-L749 VanDerWaalsContact O-N 3.14Å; E746-L749 PolarHBondContact O-N 3.06Å; L749-L752 PolarHBondContact O-N 3.42Å; L749-M753 HydrophobicContact CD1-CG 4.09Å; L749-M753 HydrophobicContact CD1-SD 3.73Å; L749-M753 HydrophobicContact CD2-SD 4.32Å; L749-M753 HydrophobicContact CG-CG 4.4Å; L749-M753 HydrophobicContact CG-SD 3.72Å; L749-M753 VanDerWaalsContact O-CB 3.31Å; L749-M753 WeakPolarHBondContact O-CB 3.38Å; L749-M753 WeakPolarHBondContact O-CG 3.5Å; L749-M753 PolarHBondContact O-N 3.3Å; L749-W790 HydrophobicContact CB-CZ2 4.1Å; L749-W790 HydrophobicContact CD2-CZ2 3.91Å; L749-W790 HydrophobicContact CG-CH2 4.27Å; L749-W790 HydrophobicContact CG-CZ2 3.77Å
750	K	94.6	Very high	94.1	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-43.1	169.6	-75.9	179.7	172.7	176.4	0	111.9	E746 L752 L754 W790 L798	E746-K750 HydrophobicContact CG-CD 4.18Å; E746-K750 WeakPolarHBondContact O-CB 3.33Å; E746-K750 WeakPolarHBondContact O-CG 3.42Å; E746-K750 PolarHBondContact O-N 2.72Å; E746-K750 WeakPolarHBondContact OE1-CE 3.37Å; E746-K750 IonicContact OE1-NZ 3.21Å; E746-K750 PolarHBondContact OE1-NZ 3.36Å; K750-L752 PolarHBondContact O-N 2.71Å; K750-L754 HydrophobicContact CB-CD1 4.32Å; K750-L754 HydrophobicContact CG-CD1 4.18Å; K750-L754 VanDerWaalsContact O-CB 3.24Å; K750-L754 WeakPolarHBondContact O-CB 3.3Å; K750-L754 PolarHBondContact O-N 3.49Å; K750-W790 HydrophobicContact CB-CH2 4.5Å; K750-W790 HydrophobicContact CD-CD2 4.3Å; K750-W790 HydrophobicContact CD-CE3 4.37Å; K750-W790 HydrophobicContact CG-CD2 3.96Å; K750-W790 HydrophobicContact CG-CE3 3.84Å; K750-W790 HydrophobicContact CG-CH2 3.74Å; K750-W790 HydrophobicContact CG-CZ2 3.87Å; K750-W790 HydrophobicContact CG-CZ3 3.74Å; K750-L798 HydrophobicContact CD-CD1 4.5Å
751	E	95.4	Very high	93.9	Very high	55 Å²	55	38.9 Å²	38.9	26%	0.257	20%	0.198	S	C	.	.	I	π-helix	trans	-54.5	-53.4	172.2	-174.2	-156.5	-179.6	0	0	110.6	R695 S747 I748 D755 K756	R695-E751 IonicContact CZ-OE2 2.94Å; R695-E751 IonicContact NE-OE2 2.65Å; R695-E751 IonicContact NH2-OE2 3.21Å; R695-E751 PolarHBondContact NH2-OE2 2.77Å; S747-E751 WeakPolarHBondContact O-CB 3.47Å; S747-E751 PolarHBondContact O-N 3.41Å; I748-E751 PolarHBondContact O-N 2.69Å; E751-D755 WeakPolarHBondContact O-CA 3.33Å; E751-D755 WeakPolarHBondContact O-CB 3.37Å; E751-D755 PolarHBondContact O-N 3.02Å; E751-D755 VanDerWaalsContact O-N 3.11Å; E751-K756 HydrophobicContact CG-CG 4.33Å; E751-K756 WeakPolarHBondContact O-CG 3.33Å; E751-K756 PolarHBondContact O-N 3.46Å; E751-K756 WeakPolarHBondContact OE1-CE 3.14Å; E751-K756 IonicContact OE1-NZ 3.18Å; E751-K756 PolarHBondContact OE1-NZ 2.83Å
752	L	96.1	Very high	93.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.192	C	C	.	.	I	π-helix	trans	-64.2	-53.6	-176.1	-84.6	173.2	0	0	0	113.1	L694 R695 M737 I748 L749 K750 K756 L757	L694-L752 HydrophobicContact CB-CD1 3.98Å; L694-L752 HydrophobicContact CD1-CD1 4.45Å; R695-L752 HydrophobicContact CB-CD2 4.43Å; R695-L752 HydrophobicContact CG-CD1 4.37Å; R695-L752 HydrophobicContact CG-CD2 3.6Å; R695-L752 HydrophobicContact CG-CG 4.33Å; M737-L752 HydrophobicContact CE-CB 3.85Å; M737-L752 HydrophobicContact CE-CD1 4.19Å; M737-L752 HydrophobicContact CE-CD2 4.05Å; M737-L752 HydrophobicContact CE-CG 4.27Å; I748-L752 HydrophobicContact CG2-CD1 4.21Å; I748-L752 WeakPolarHBondContact O-CB 3.34Å; I748-L752 WeakPolarHBondContact O-CG 3.48Å; I748-L752 PolarHBondContact O-N 2.84Å; L749-L752 PolarHBondContact O-N 3.42Å; K750-L752 PolarHBondContact O-N 2.71Å; L752-K756 HydrophobicContact CD2-CG 4.47Å; L752-K756 WeakPolarHBondContact O-CB 3.16Å; L752-L757 WeakPolarHBondContact O-CB 3.36Å; L752-L757 PolarHBondContact O-N 3.4Å; L752-L757 VanDerWaalsContact O-N 3.07Å
753	M	96.5	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-74.1	-44.3	-174	-70.8	179.8	61.5	0	0	112.2	L734 M737 L749 L758 C785 L786 W790	L734-M753 HydrophobicContact CD1-CB 3.67Å; L734-M753 HydrophobicContact CD1-CE 3.79Å; L734-M753 HydrophobicContact CD1-CG 4.01Å; L734-M753 HydrophobicContact CG-CE 4.12Å; L734-M753 WeakPolarHBondContact O-CE 3.26Å; M737-M753 HydrophobicContact CB-CE 4.49Å; M737-M753 HydrophobicContact CB-CG 3.59Å; M737-M753 HydrophobicContact CB-SD 3.72Å; M737-M753 HydrophobicContact CG-CG 4.41Å; M737-M753 HydrophobicContact SD-CG 3.98Å; L749-M753 HydrophobicContact CD1-CG 4.09Å; L749-M753 HydrophobicContact CD1-SD 3.73Å; L749-M753 HydrophobicContact CD2-SD 4.32Å; L749-M753 HydrophobicContact CG-CG 4.4Å; L749-M753 HydrophobicContact CG-SD 3.72Å; L749-M753 VanDerWaalsContact O-CB 3.31Å; L749-M753 WeakPolarHBondContact O-CB 3.38Å; L749-M753 WeakPolarHBondContact O-CG 3.5Å; L749-M753 PolarHBondContact O-N 3.3Å; M753-L758 VanDerWaalsContact O-CB 3.28Å; M753-L758 WeakPolarHBondContact O-CB 3.41Å; M753-L758 PolarHBondContact O-N 2.87Å; M753-C785 WeakPolarHBondContact CE-O 3.5Å; M753-L786 HydrophobicContact CE-CD2 4.11Å; M753-W790 HydrophobicContact CB-CH2 4.16Å; M753-W790 HydrophobicContact CE-CH2 4.19Å; M753-W790 HydrophobicContact CG-CH2 4.44Å; M753-W790 HydrophobicContact SD-CH2 3.69Å; M753-W790 HydrophobicContact SD-CZ2 4.22Å
754	L	95.7	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-90.6	-46.8	-170.9	-52.5	-175.9	0	0	0	112.1	K750 L758 N759 L786 W790 L798 Q800 L801	K750-L754 HydrophobicContact CB-CD1 4.32Å; K750-L754 HydrophobicContact CG-CD1 4.18Å; K750-L754 VanDerWaalsContact O-CB 3.24Å; K750-L754 WeakPolarHBondContact O-CB 3.3Å; K750-L754 PolarHBondContact O-N 3.49Å; L754-L758 HydrophobicContact CD2-CD2 4Å; L754-L758 WeakPolarHBondContact O-CB 3.39Å; L754-N759 VanDerWaalsContact O-CB 3.29Å; L754-N759 WeakPolarHBondContact O-CB 3.4Å; L754-N759 PolarHBondContact O-N 3.2Å; L754-N759 PolarHBondContact O-ND2 2.81Å; L754-N759 VanDerWaalsContact O-ND2 3.12Å; L754-L786 HydrophobicContact CD2-CD2 3.77Å; L754-W790 HydrophobicContact CD1-CE3 4.39Å; L754-W790 HydrophobicContact CD1-CZ3 3.95Å; L754-W790 HydrophobicContact CD2-CZ3 4.04Å; L754-W790 HydrophobicContact CG-CZ3 3.97Å; L754-L798 HydrophobicContact CD1-CD1 4.27Å; L754-Q800 HydrophobicContact CB-CB 3.72Å; L754-Q800 HydrophobicContact CB-CG 4.22Å; L754-Q800 HydrophobicContact CD1-CB 3.83Å; L754-Q800 HydrophobicContact CD1-CG 4.37Å; L754-Q800 HydrophobicContact CG-CB 4.43Å; L754-L801 HydrophobicContact CD1-CD2 4.36Å; L754-L801 HydrophobicContact CD1-CG 4.36Å; L754-L801 HydrophobicContact CD2-CD2 3.75Å
755	D	94	Very high	92.9	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	19%	0.188	S	C	.	.	I	π-helix	trans	-89.2	-47	-174.4	-60.7	-41.5	0	0	0	112.4	E751 N759 Q800	E751-D755 WeakPolarHBondContact O-CA 3.33Å; E751-D755 WeakPolarHBondContact O-CB 3.37Å; E751-D755 PolarHBondContact O-N 3.02Å; E751-D755 VanDerWaalsContact O-N 3.11Å; D755-N759 PolarHBondContact OD1-ND2 3.31Å; D755-Q800 VanDerWaalsContact OD1-CG 3.27Å; D755-Q800 WeakPolarHBondContact OD1-CG 3.39Å
756	K	94.4	Very high	92.4	Very high	65 Å²	65	34.7 Å²	34.7	28%	0.283	17%	0.172	S	C	.	.	I	π-helix	trans	-79.5	-31.2	-177.1	-53.6	-71.4	176	159.4	0	113.8	V698 E751 L752 R760 Y761	V698-K756 HydrophobicContact CG1-CB 3.76Å; V698-K756 WeakPolarHBondContact CG1-O 3.41Å; E751-K756 HydrophobicContact CG-CG 4.33Å; E751-K756 WeakPolarHBondContact O-CG 3.33Å; E751-K756 PolarHBondContact O-N 3.46Å; E751-K756 WeakPolarHBondContact OE1-CE 3.14Å; E751-K756 IonicContact OE1-NZ 3.18Å; E751-K756 PolarHBondContact OE1-NZ 2.83Å; L752-K756 HydrophobicContact CD2-CG 4.47Å; L752-K756 WeakPolarHBondContact O-CB 3.16Å; K756-R760 WeakPolarHBondContact O-CB 3.48Å; K756-Y761 VanDerWaalsContact O-CD2 3.24Å; K756-Y761 WeakPolarHBondContact O-CD2 3.46Å; K756-Y761 WeakPolarHBondContact O-CE2 3.47Å
757	L	95.8	Very high	91.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-105.7	-63.7	-177	-173.8	56.5	0	0	0	112.8	V698 V702 A730 L733 L734 M737 L752 Y761 L762	V698-L757 HydrophobicContact CG1-CB 4.44Å; V702-L757 HydrophobicContact CG1-CD1 4Å; V702-L757 HydrophobicContact CG2-CD1 4.08Å; A730-L757 HydrophobicContact CB-CD1 4.23Å; L733-L757 HydrophobicContact CB-CD2 4.34Å; L733-L757 HydrophobicContact CD2-CD1 4.47Å; L733-L757 HydrophobicContact CD2-CD2 4.16Å; L733-L757 HydrophobicContact CG-CD2 4.1Å; L734-L757 HydrophobicContact CB-CD2 3.87Å; L734-L757 HydrophobicContact CD1-CD2 4.03Å; M737-L757 HydrophobicContact SD-CD2 3.83Å; L752-L757 WeakPolarHBondContact O-CB 3.36Å; L752-L757 PolarHBondContact O-N 3.4Å; L752-L757 VanDerWaalsContact O-N 3.07Å; L757-Y761 WeakPolarHBondContact O-CB 3.2Å; L757-Y761 PolarHBondContact O-N 2.92Å; L757-L762 PolarHBondContact O-N 3.27Å
758	L	94.9	Very high	90.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	I	π-helix	trans	-62.1	-60.6	-176.5	176	66.2	0	0	0	112.4	M753 L754 R760 L762 M763 I782 L801	M753-L758 VanDerWaalsContact O-CB 3.28Å; M753-L758 WeakPolarHBondContact O-CB 3.41Å; M753-L758 PolarHBondContact O-N 2.87Å; L754-L758 HydrophobicContact CD2-CD2 4Å; L754-L758 WeakPolarHBondContact O-CB 3.39Å; L758-R760 PolarHBondContact O-N 2.85Å; L758-L762 HydrophobicContact CD1-CB 4.03Å; L758-L762 HydrophobicContact CD1-CD1 4.02Å; L758-L762 PolarHBondContact O-N 3.45Å; L758-L762 VanDerWaalsContact O-N 3.13Å; L758-M763 HydrophobicContact CD1-CG 4.46Å; L758-M763 HydrophobicContact CD1-SD 4.26Å; L758-M763 HydrophobicContact CG-CG 4.39Å; L758-M763 WeakPolarHBondContact O-CG 3.32Å; L758-M763 PolarHBondContact O-N 2.72Å; L758-I782 HydrophobicContact CD1-CG2 3.88Å; L758-L801 HydrophobicContact CD2-CD2 3.73Å
759	N	93.3	Very high	88.6	Confident	36 Å²	36	35 Å²	35	19%	0.193	17%	0.173	C	C	.	.	I	π-helix	trans	-66.6	-34.9	-175.8	-82.5	-48.1	0	0	0	113.4	L754 D755 Q800 N803	L754-N759 VanDerWaalsContact O-CB 3.29Å; L754-N759 WeakPolarHBondContact O-CB 3.4Å; L754-N759 PolarHBondContact O-N 3.2Å; L754-N759 PolarHBondContact O-ND2 2.81Å; L754-N759 VanDerWaalsContact O-ND2 3.12Å; D755-N759 PolarHBondContact OD1-ND2 3.31Å; N759-Q800 PolarHBondContact ND2-O 3.02Å; N759-N803 PolarHBondContact OD1-ND2 3.37Å
760	R	91.6	Very high	86.5	Confident	112 Å²	112	37 Å²	37	42%	0.423	18%	0.183	S	C	.	.	I	π-helix	trans	-81.7	-41.4	-177.3	179.2	174.9	163.4	-173.6	-7.3	114.2	D699 K756 L758	D699-R760 IonicContact OD1-CZ 3.53Å; D699-R760 IonicContact OD1-NH1 2.74Å; D699-R760 PolarHBondContact OD1-NH1 2.85Å; D699-R760 IonicContact OD1-NH2 3.16Å; D699-R760 PolarHBondContact OD1-NH2 3.29Å; K756-R760 WeakPolarHBondContact O-CB 3.48Å; L758-R760 PolarHBondContact O-N 2.85Å
761	Y	91.2	Very high	84.5	Confident	35 Å²	35	37 Å²	37	14%	0.137	18%	0.183	C	C	.	.	I	π-helix	trans	-115	-41.2	-171.4	-65.6	-87.7	0	0	0	114	V698 V702 K756 L757 I764 T765	V698-Y761 HydrophobicContact CG1-CE2 4.23Å; V698-Y761 PolarHBondContact O-OH 2.98Å; V702-Y761 HydrophobicContact CB-CE1 4.36Å; V702-Y761 HydrophobicContact CB-CE2 4.42Å; V702-Y761 HydrophobicContact CG1-CD1 3.69Å; V702-Y761 HydrophobicContact CG1-CD2 3.92Å; V702-Y761 HydrophobicContact CG1-CE1 3.95Å; V702-Y761 HydrophobicContact CG1-CE2 4.19Å; V702-Y761 HydrophobicContact CG1-CG 3.66Å; V702-Y761 WeakPolarHBondContact O-CE1 3.21Å; K756-Y761 VanDerWaalsContact O-CD2 3.24Å; K756-Y761 WeakPolarHBondContact O-CD2 3.46Å; K756-Y761 WeakPolarHBondContact O-CE2 3.47Å; L757-Y761 WeakPolarHBondContact O-CB 3.2Å; L757-Y761 PolarHBondContact O-N 2.92Å; Y761-I764 WeakPolarHBondContact O-CG2 3.39Å; Y761-T765 PolarHBondContact O-OG1 3.4Å
762	L	91.3	Very high	82.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-80	-44.7	-176.2	-60.7	178.9	0	0	0	112.1	I704 F727 A730 V731 L734 L757 L758 I764 T765 L766 I782	I704-L762 HydrophobicContact CD1-CD2 4.22Å; F727-L762 HydrophobicContact CD2-CD2 3.69Å; F727-L762 HydrophobicContact CE2-CB 4.11Å; F727-L762 HydrophobicContact CE2-CD2 3.64Å; F727-L762 HydrophobicContact CE2-CG 4.47Å; F727-L762 HydrophobicContact CG-CD2 4.42Å; F727-L762 HydrophobicContact CZ-CD2 4.31Å; A730-L762 HydrophobicContact CB-CD2 3.66Å; V731-L762 HydrophobicContact CG2-CD1 4.1Å; V731-L762 HydrophobicContact CG2-CD2 3.93Å; L734-L762 HydrophobicContact CD2-CD1 4.13Å; L757-L762 PolarHBondContact O-N 3.27Å; L758-L762 HydrophobicContact CD1-CB 4.03Å; L758-L762 HydrophobicContact CD1-CD1 4.02Å; L758-L762 PolarHBondContact O-N 3.45Å; L758-L762 VanDerWaalsContact O-N 3.13Å; L762-I764 VanDerWaalsContact C-N 3.32Å; L762-I764 PolarHBondContact O-N 3.15Å; L762-T765 WeakPolarHBondContact O-CB 3.33Å; L762-T765 PolarHBondContact O-N 3.45Å; L762-L766 PolarHBondContact O-N 3.24Å; L762-I782 HydrophobicContact CD1-CD1 4.39Å
763	M	90.4	Very high	80.5	Confident	11 Å²	11	43.2 Å²	43.2	5%	0.054	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-34.7	-174.6	-75.6	-52.6	-47.5	0	0	113.9	L758 T765 L766 S767 N803 F804 D807	L758-M763 HydrophobicContact CD1-CG 4.46Å; L758-M763 HydrophobicContact CD1-SD 4.26Å; L758-M763 HydrophobicContact CG-CG 4.39Å; L758-M763 WeakPolarHBondContact O-CG 3.32Å; L758-M763 PolarHBondContact O-N 2.72Å; M763-T765 PolarHBondContact O-N 2.99Å; M763-L766 HydrophobicContact CE-CD1 4.35Å; M763-L766 PolarHBondContact O-N 3.01Å; M763-L766 HydrophobicContact SD-CD1 3.77Å; M763-S767 WeakPolarHBondContact O-CB 3.44Å; M763-S767 PolarHBondContact O-N 3.33Å; M763-S767 PolarHBondContact O-OG 3.09Å; M763-N803 HydrophobicContact CE-CB 4.2Å; M763-N803 HydrophobicContact CG-CB 4.36Å; M763-F804 HydrophobicContact SD-CB 3.78Å; M763-F804 HydrophobicContact SD-CD2 3.92Å; M763-F804 HydrophobicContact SD-CG 4.31Å; M763-D807 HydrophobicContact CE-CB 3.99Å
764	I	85.4	Confident	78.9	Confident	93 Å²	93	46.3 Å²	46.3	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-26.7	176.1	-166.5	167.4	0	0	0	112.4	L706 Y761 L762	L706-I764 HydrophobicContact CD1-CD1 3.96Å; L706-I764 HydrophobicContact CD2-CD1 4.29Å; L706-I764 HydrophobicContact CD2-CG1 4.39Å; L706-I764 HydrophobicContact CD2-CG2 4.38Å; Y761-I764 WeakPolarHBondContact O-CG2 3.39Å; L762-I764 VanDerWaalsContact C-N 3.32Å; L762-I764 PolarHBondContact O-N 3.15Å
765	T	81.6	Confident	77.5	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-82.7	-39.3	176.8	-54.1	0	0	0	0	111.6	F727 Y761 L762 M763 S768	F727-T765 HydrophobicContact CB-CG2 4.37Å; F727-T765 HydrophobicContact CD2-CG2 3.55Å; F727-T765 HydrophobicContact CE2-CG2 4.12Å; F727-T765 HydrophobicContact CG-CG2 4.13Å; Y761-T765 PolarHBondContact O-OG1 3.4Å; L762-T765 WeakPolarHBondContact O-CB 3.33Å; L762-T765 PolarHBondContact O-N 3.45Å; M763-T765 PolarHBondContact O-N 2.99Å; T765-S768 WeakPolarHBondContact O-CB 3.39Å; T765-S768 PolarHBondContact O-N 3.09Å
766	L	82.6	Confident	76.5	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-48.5	174.6	-69.4	172.6	0	0	0	112.1	F727 L762 M763 S768 L771 T778 I782 F804	F727-L766 HydrophobicContact CE2-CD2 4.29Å; F727-L766 HydrophobicContact CE2-CG 4.22Å; F727-L766 HydrophobicContact CZ-CD2 3.91Å; F727-L766 HydrophobicContact CZ-CG 4.3Å; L762-L766 PolarHBondContact O-N 3.24Å; M763-L766 HydrophobicContact CE-CD1 4.35Å; M763-L766 PolarHBondContact O-N 3.01Å; M763-L766 HydrophobicContact SD-CD1 3.77Å; L766-S768 PolarHBondContact O-N 3.3Å; L766-L771 HydrophobicContact CD2-CD1 4.25Å; L766-T778 HydrophobicContact CD2-CG2 3.71Å; L766-I782 HydrophobicContact CD1-CD1 3.85Å; L766-I782 HydrophobicContact CD2-CD1 4.31Å; L766-F804 HydrophobicContact CD1-CD2 3.96Å; L766-F804 HydrophobicContact CD1-CE2 3.97Å
767	S	75.3	Confident	75.8	Confident	75 Å²	75	44.4 Å²	44.4	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-5.5	179.6	-52.1	0	0	0	0	114.1	M763	M763-S767 WeakPolarHBondContact O-CB 3.44Å; M763-S767 PolarHBondContact O-N 3.33Å; M763-S767 PolarHBondContact O-OG 3.09Å
768	S	70.4	Confident	75.3	Confident	24 Å²	24	44.5 Å²	44.5	17%	0.168	24%	0.244	C	C	.	.	S	Bend	trans	-94.6	110.4	174.8	-168.9	0	0	0	0	109.6	T765 L766 M770	T765-S768 WeakPolarHBondContact O-CB 3.39Å; T765-S768 PolarHBondContact O-N 3.09Å; L766-S768 PolarHBondContact O-N 3.3Å; S768-M770 PolarHBondContact O-N 3.02Å
769	E	55.2	Low	75	Confident	137 Å²	137	44.5 Å²	44.5	64%	0.64	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-52.3	-2.2	-167.6	-61.8	159.1	111.1	0	0	117.3	K709 L771 S772	K709-E769 IonicContact NZ-OE2 3.13Å; K709-E769 PolarHBondContact NZ-OE2 2.72Å; E769-L771 VanDerWaalsContact C-N 3.31Å; E769-L771 PolarHBondContact O-N 3.26Å; E769-S772 PolarHBondContact O-N 3.06Å
770	M	51.3	Low	74.7	Confident	42 Å²	42	47.6 Å²	47.6	21%	0.207	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-80	0.1	-172.4	-51.3	-84.8	64.2	0	0	114.8	L712 E713 R720 S768 S772	L712-M770 VanDerWaalsContact C-SD 3.54Å; L712-M770 HydrophobicContact CB-CB 4.27Å; L712-M770 HydrophobicContact CB-CG 3.75Å; L712-M770 HydrophobicContact CB-SD 3.73Å; L712-M770 HydrophobicContact CD1-CG 4.47Å; E713-M770 HydrophobicContact CB-SD 4.46Å; E713-M770 HydrophobicContact CG-CE 3.86Å; E713-M770 HydrophobicContact CG-SD 3.73Å; R720-M770 PolarHBondContact NH2-O 3.37Å; S768-M770 PolarHBondContact O-N 3.02Å; M770-S772 VanDerWaalsContact C-N 3.33Å
771	L	52.2	Low	74.6	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.063	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-91.2	10.2	171.3	-80.3	164.3	0	0	0	112.9	L766 E769 S773 R774 V775	L766-L771 HydrophobicContact CD2-CD1 4.25Å; E769-L771 VanDerWaalsContact C-N 3.31Å; E769-L771 PolarHBondContact O-N 3.26Å; L771-S773 PolarHBondContact O-N 2.91Å; L771-R774 CarbonylContact O-C 3.58Å; L771-R774 PolarHBondContact O-N 3.09Å; L771-V775 HydrophobicContact CB-CG2 3.87Å; L771-V775 WeakPolarHBondContact O-CG2 3.22Å; L771-V775 PolarHBondContact O-N 3.22Å
772	S	53.4	Low	74.7	Confident	79 Å²	79	44.9 Å²	44.9	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-41.9	-161.3	63.2	0	0	0	0	118	E769 M770 K811	E769-S772 PolarHBondContact O-N 3.06Å; M770-S772 VanDerWaalsContact C-N 3.33Å; S772-K811 PolarHBondContact O-NZ 2.68Å
773	S	53.8	Low	74.6	Confident	109 Å²	109	44.9 Å²	44.9	76%	0.762	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.5	178.4	72.4	0	0	0	0	115.7	L771	L771-S773 PolarHBondContact O-N 2.91Å
774	R	63.3	Low	74.6	Confident	66 Å²	66	48.6 Å²	48.6	25%	0.249	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-5.6	-173.6	-70.8	174.9	170.9	171.2	-12	114.5	L771 V776 S777 T778	L771-R774 CarbonylContact O-C 3.58Å; L771-R774 PolarHBondContact O-N 3.09Å; R774-V776 VanDerWaalsContact C-N 3.3Å; R774-V776 PolarHBondContact O-N 3.47Å; R774-S777 PolarHBondContact O-N 2.68Å; R774-S777 PolarHBondContact O-OG 2.58Å; R774-T778 PolarHBondContact O-N 2.9Å; R774-T778 PolarHBondContact O-OG1 3.48Å
775	V	67.1	Low	75	Confident	12 Å²	12	45.3 Å²	45.3	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-49	-47.3	180	-160.7	0	0	0	0	112.7	L771 S777 T778 H779 K811	L771-V775 HydrophobicContact CB-CG2 3.87Å; L771-V775 WeakPolarHBondContact O-CG2 3.22Å; L771-V775 PolarHBondContact O-N 3.22Å; V775-S777 VanDerWaalsContact C-N 3.34Å; V775-S777 PolarHBondContact O-N 2.74Å; V775-T778 CarbonylContact O-C 3.53Å; V775-T778 WeakPolarHBondContact O-CA 3.03Å; V775-T778 WeakPolarHBondContact O-CB 3.48Å; V775-T778 PolarHBondContact O-N 2.92Å; V775-H779 WeakPolarHBondContact CG1-CE1 3.31Å; V775-H779 WeakPolarHBondContact CG1-NE2 3.3Å; V775-H779 PolarHBondContact O-N 3.41Å; V775-K811 HydrophobicContact CB-CD 4.21Å; V775-K811 HydrophobicContact CB-CG 4.28Å; V775-K811 HydrophobicContact CG1-CD 4.46Å; V775-K811 HydrophobicContact CG1-CG 4.23Å; V775-K811 HydrophobicContact CG2-CD 4.03Å
776	V	73.1	Confident	75.5	Confident	25 Å²	25	45.3 Å²	45.3	15%	0.152	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-43.9	-174.4	-173.7	0	0	0	0	112.1	R774 T778 H779 R780 L815 A829 E832 E833	R774-V776 VanDerWaalsContact C-N 3.3Å; R774-V776 PolarHBondContact O-N 3.47Å; V776-T778 VanDerWaalsContact C-N 3.32Å; V776-T778 PolarHBondContact O-N 3.36Å; V776-H779 PolarHBondContact O-N 2.76Å; V776-R780 PolarHBondContact O-N 3.44Å; V776-L815 HydrophobicContact CG2-CD1 4.38Å; V776-A829 HydrophobicContact CG2-CB 4.23Å; V776-E832 HydrophobicContact CG1-CB 3.65Å; V776-E833 HydrophobicContact CG1-CG 4.1Å; V776-E833 HydrophobicContact CG2-CG 4.12Å; V776-E833 WeakPolarHBondContact CG2-OE1 3.49Å
777	S	79.8	Confident	76	Confident	55 Å²	55	45.7 Å²	45.7	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-66.5	-33	175.2	31.9	0	0	0	0	112.8	R774 V775 K781	R774-S777 PolarHBondContact O-N 2.68Å; R774-S777 PolarHBondContact O-OG 2.58Å; V775-S777 VanDerWaalsContact C-N 3.34Å; V775-S777 PolarHBondContact O-N 2.74Å; S777-K781 WeakPolarHBondContact O-CB 3.45Å; S777-K781 WeakPolarHBondContact O-CG 3.39Å; S777-K781 PolarHBondContact O-N 2.9Å
778	T	83.8	Confident	76.6	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-71.8	-43.9	176	-57.2	0	0	0	0	111.7	F727 W728 L766 R774 V775 V776 R780 K781 I782	F727-T778 HydrophobicContact CE1-CG2 3.47Å; F727-T778 VanDerWaalsContact CE1-CG2 3.47Å; F727-T778 HydrophobicContact CZ-CG2 3.47Å; F727-T778 VanDerWaalsContact CZ-CG2 3.47Å; W728-T778 HydrophobicContact CH2-CG2 4.35Å; L766-T778 HydrophobicContact CD2-CG2 3.71Å; R774-T778 PolarHBondContact O-N 2.9Å; R774-T778 PolarHBondContact O-OG1 3.48Å; V775-T778 CarbonylContact O-C 3.53Å; V775-T778 WeakPolarHBondContact O-CA 3.03Å; V775-T778 WeakPolarHBondContact O-CB 3.48Å; V775-T778 PolarHBondContact O-N 2.92Å; V776-T778 VanDerWaalsContact C-N 3.32Å; V776-T778 PolarHBondContact O-N 3.36Å; T778-R780 VanDerWaalsContact C-N 3.34Å; T778-R780 PolarHBondContact O-N 3.49Å; T778-K781 PolarHBondContact O-N 3.44Å; T778-I782 HydrophobicContact CG2-CD1 4.07Å; T778-I782 WeakPolarHBondContact O-CG1 3.35Å; T778-I782 PolarHBondContact O-N 3.35Å
779	H	88.3	Confident	77.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-45.9	173.7	-70.8	172.4	0	0	0	111.6	V775 V776 I782 A783 F804 D807 I808 E833	V775-H779 WeakPolarHBondContact CG1-CE1 3.31Å; V775-H779 WeakPolarHBondContact CG1-NE2 3.3Å; V775-H779 PolarHBondContact O-N 3.41Å; V776-H779 PolarHBondContact O-N 2.76Å; H779-I782 PolarHBondContact O-N 2.99Å; H779-A783 WeakPolarHBondContact O-CB 3.46Å; H779-A783 PolarHBondContact O-N 3.48Å; H779-F804 HydrophobicContact CB-CZ 4.4Å; H779-F804 AromaticContact CD2-CE2 3.67Å; H779-D807 IonicContact NE2-OD2 3.93Å; H779-I808 HydrophobicContact CB-CG1 4.41Å; H779-I808 WeakPolarHBondContact ND1-CG1 3.19Å; H779-E833 IonicContact CE1-OE1 2.68Å; H779-E833 IonicContact CE1-OE2 3.46Å; H779-E833 IonicContact CG-OE2 3.77Å; H779-E833 VanDerWaalsContact ND1-CD 3.32Å; H779-E833 IonicContact ND1-OE1 3.33Å; H779-E833 PolarHBondContact ND1-OE1 2.9Å; H779-E833 VanDerWaalsContact ND1-OE1 3.07Å; H779-E833 IonicContact ND1-OE2 2.77Å; H779-E833 PolarHBondContact ND1-OE2 3.46Å
780	R	88.8	Confident	79	Confident	100 Å²	100	38.7 Å²	38.7	38%	0.377	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-49.4	174.8	-158.9	-156.8	-68.8	144	-3.3	111.2	V776 T778 I782 A783 E784 E832 V836	V776-R780 PolarHBondContact O-N 3.44Å; T778-R780 VanDerWaalsContact C-N 3.34Å; T778-R780 PolarHBondContact O-N 3.49Å; R780-I782 PolarHBondContact O-N 3.16Å; R780-A783 PolarHBondContact O-N 2.92Å; R780-E784 WeakPolarHBondContact CD-OE1 3.23Å; R780-E784 HydrophobicContact CG-CG 4.45Å; R780-E784 VanDerWaalsContact CG-OE1 3.3Å; R780-E784 WeakPolarHBondContact CG-OE1 3.49Å; R780-E784 WeakPolarHBondContact O-CB 3.42Å; R780-E784 VanDerWaalsContact O-CG 3.29Å; R780-E784 WeakPolarHBondContact O-CG 3.35Å; R780-E784 PolarHBondContact O-N 3.04Å; R780-E832 IonicContact CZ-OE2 2.71Å; R780-E832 IonicContact NE-OE2 2.72Å; R780-E832 PolarHBondContact NE-OE2 2.68Å; R780-E832 IonicContact NH2-OE2 3.42Å; R780-E832 PolarHBondContact NH2-OE2 3.13Å; R780-V836 HydrophobicContact CB-CG2 4.13Å; R780-V836 HydrophobicContact CG-CG2 4.29Å
781	K	89	Confident	80.7	Confident	90 Å²	90	36.9 Å²	36.9	39%	0.391	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-39	-179.5	-77.2	-74.6	160.5	-154.8	0	113.7	W728 S777 T778 E784 C785	W728-K781 HydrophobicContact CH2-CB 4.11Å; W728-K781 HydrophobicContact CH2-CG 4.17Å; W728-K781 HydrophobicContact CZ3-CB 3.85Å; W728-K781 HydrophobicContact CZ3-CG 4.11Å; S777-K781 WeakPolarHBondContact O-CB 3.45Å; S777-K781 WeakPolarHBondContact O-CG 3.39Å; S777-K781 PolarHBondContact O-N 2.9Å; T778-K781 PolarHBondContact O-N 3.44Å; K781-E784 WeakPolarHBondContact CD-OE2 3.43Å; K781-E784 VanDerWaalsContact CE-OE2 3.25Å; K781-E784 WeakPolarHBondContact CE-OE2 3.39Å; K781-E784 IonicContact NZ-OE2 2.69Å; K781-E784 PolarHBondContact NZ-OE2 3.42Å; K781-E784 PolarHBondContact O-N 2.94Å; K781-C785 PolarHBondContact O-N 3.28Å; K781-C785 PolarHBondContact O-SG 3.44Å
782	I	91.9	Very high	81.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-41.7	175.5	-71.5	172.5	0	0	0	110.9	F727 V731 L734 L758 L762 L766 T778 H779 R780 C785 F804	F727-I782 HydrophobicContact CZ-CD1 4.09Å; V731-I782 HydrophobicContact CG1-CG1 4.33Å; V731-I782 HydrophobicContact CG2-CD1 4.32Å; V731-I782 HydrophobicContact CG2-CG1 4Å; L734-I782 HydrophobicContact CD2-CG2 4.09Å; L758-I782 HydrophobicContact CD1-CG2 3.88Å; L762-I782 HydrophobicContact CD1-CD1 4.39Å; L766-I782 HydrophobicContact CD1-CD1 3.85Å; L766-I782 HydrophobicContact CD2-CD1 4.31Å; T778-I782 HydrophobicContact CG2-CD1 4.07Å; T778-I782 WeakPolarHBondContact O-CG1 3.35Å; T778-I782 PolarHBondContact O-N 3.35Å; H779-I782 PolarHBondContact O-N 2.99Å; R780-I782 PolarHBondContact O-N 3.16Å; I782-C785 WeakPolarHBondContact O-CB 3.44Å; I782-C785 PolarHBondContact O-N 3.18Å; I782-F804 HydrophobicContact CB-CE1 4.47Å; I782-F804 HydrophobicContact CB-CE2 4.25Å; I782-F804 HydrophobicContact CB-CZ 3.76Å; I782-F804 HydrophobicContact CD1-CE2 4.28Å; I782-F804 HydrophobicContact CG2-CE1 3.84Å; I782-F804 HydrophobicContact CG2-CE2 3.96Å; I782-F804 HydrophobicContact CG2-CZ 3.51Å
783	A	90.8	Very high	82.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-33.3	177.1	0	0	0	0	0	113	H779 R780 C785 L786 V836 R839 L840	H779-A783 WeakPolarHBondContact O-CB 3.46Å; H779-A783 PolarHBondContact O-N 3.48Å; R780-A783 PolarHBondContact O-N 2.92Å; A783-C785 PolarHBondContact O-N 3.34Å; A783-L786 PolarHBondContact O-N 2.95Å; A783-V836 HydrophobicContact CB-CG1 3.84Å; A783-R839 PolarHBondContact O-NE 2.94Å; A783-R839 PolarHBondContact O-NH2 2.96Å; A783-L840 HydrophobicContact CB-CD2 4.3Å
784	E	90.6	Very high	83.4	Confident	88 Å²	88	41.2 Å²	41.2	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-25.6	170.7	-74.6	168.6	-162.5	0	0	112.7	R780 K781	R780-E784 WeakPolarHBondContact CD-OE1 3.23Å; R780-E784 HydrophobicContact CG-CG 4.45Å; R780-E784 VanDerWaalsContact CG-OE1 3.3Å; R780-E784 WeakPolarHBondContact CG-OE1 3.49Å; R780-E784 WeakPolarHBondContact O-CB 3.42Å; R780-E784 VanDerWaalsContact O-CG 3.29Å; R780-E784 WeakPolarHBondContact O-CG 3.35Å; R780-E784 PolarHBondContact O-N 3.04Å; K781-E784 WeakPolarHBondContact CD-OE2 3.43Å; K781-E784 VanDerWaalsContact CE-OE2 3.25Å; K781-E784 WeakPolarHBondContact CE-OE2 3.39Å; K781-E784 IonicContact NZ-OE2 2.69Å; K781-E784 PolarHBondContact NZ-OE2 3.42Å; K781-E784 PolarHBondContact O-N 2.94Å
785	C	92.9	Very high	83.6	Confident	25 Å²	25	42.4 Å²	42.4	17%	0.169	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-8.3	176.3	-68.2	0	0	0	0	114.6	L734 G735 M753 K781 I782 A783	L734-C785 HydrophobicContact CB-CB 4.45Å; L734-C785 HydrophobicContact CD2-CB 3.97Å; L734-C785 HydrophobicContact CG-CB 3.99Å; G735-C785 VanDerWaalsContact CA-SG 3.54Å; M753-C785 WeakPolarHBondContact CE-O 3.5Å; K781-C785 PolarHBondContact O-N 3.28Å; K781-C785 PolarHBondContact O-SG 3.44Å; I782-C785 WeakPolarHBondContact O-CB 3.44Å; I782-C785 PolarHBondContact O-N 3.18Å; A783-C785 PolarHBondContact O-N 3.34Å
786	L	93.1	Very high	84	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	27%	0.268	C	S	.	.	S	Bend	trans	-90.1	136.1	178	-57.4	-175.6	0	0	0	110.4	M753 L754 A783 W790 F791 L801 R839 L840	M753-L786 HydrophobicContact CE-CD2 4.11Å; L754-L786 HydrophobicContact CD2-CD2 3.77Å; A783-L786 PolarHBondContact O-N 2.95Å; L786-W790 HydrophobicContact CD2-CZ3 4.39Å; L786-F791 HydrophobicContact CB-CE2 4.09Å; L786-F791 HydrophobicContact CB-CZ 4.47Å; L786-F791 HydrophobicContact CD1-CE2 4.5Å; L786-F791 HydrophobicContact CD1-CZ 4.08Å; L786-L801 HydrophobicContact CD1-CD1 4.14Å; L786-L801 HydrophobicContact CD1-CD2 3.99Å; L786-R839 PolarHBondContact O-NH2 3.15Å; L786-L840 HydrophobicContact CD1-CD2 3.84Å
787	P	92.3	Very high	84.3	Confident	15 Å²	15	45.4 Å²	45.4	10%	0.097	26%	0.263	C	S	.	.			trans	-58.6	145.3	176.7	-25.9	35.9	0	0	0	113.6	D741 W790 F791	D741-P787 HydrophobicContact CB-CB 3.88Å; D741-P787 HydrophobicContact CB-CG 3.7Å; P787-W790 HydrophobicContact CB-CD2 4.3Å; P787-W790 HydrophobicContact CB-CG 4.24Å; P787-W790 HydrophobicContact CG-CD2 4.14Å; P787-W790 HydrophobicContact CG-CH2 4.44Å; P787-W790 HydrophobicContact CG-CZ2 3.86Å; P787-F791 VanDerWaalsContact O-CD2 3.32Å; P787-F791 WeakPolarHBondContact O-CD2 3.35Å; P787-F791 WeakPolarHBondContact O-CE2 3.46Å
788	D	87.4	Confident	84.6	Confident	50 Å²	50	43 Å²	43	27%	0.267	25%	0.246	S	C	.	.	S	Bend	trans	-69.1	-38	177.7	-78.9	20.7	0	0	0	111.9	W790 F791 R839 R869	D788-W790 PolarHBondContact O-N 3.13Å; D788-F791 PolarHBondContact O-N 2.98Å; D788-R839 IonicContact OD1-CZ 2.79Å; D788-R839 IonicContact OD1-NH1 3.79Å; D788-R839 PolarHBondContact OD1-NH1 3.1Å; D788-R839 IonicContact OD1-NH2 3.3Å; D788-R839 PolarHBondContact OD1-NH2 3.3Å; D788-R839 IonicContact OD2-NH1 3.14Å; D788-R869 IonicContact OD2-CZ 3.64Å; D788-R869 IonicContact OD2-NH1 3.92Å; D788-R869 PolarHBondContact OD2-NH1 3.34Å; D788-R869 IonicContact OD2-NH2 3.79Å; D788-R869 PolarHBondContact OD2-NH2 2.84Å
789	S	88.4	Confident	84.7	Confident	33 Å²	33	47.9 Å²	47.9	23%	0.231	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-51.6	-36.5	-179.5	57.3	0	0	0	0	113.7	D741 F791 E792	D741-S789 VanDerWaalsContact CG-OG 3.29Å; D741-S789 PolarHBondContact OD1-OG 2.92Å; D741-S789 WeakPolarHBondContact OD2-CB 3.43Å; D741-S789 PolarHBondContact OD2-OG 3.4Å; S789-F791 PolarHBondContact O-N 3.06Å; S789-E792 PolarHBondContact O-N 3.47Å; S789-E792 VanDerWaalsContact O-N 3.12Å
790	W	88.9	Confident	84.7	Confident	5 Å²	5	50.4 Å²	50.4	2%	0.019	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66.6	-9.2	-179.9	-63.4	6.1	0	0	0	113.7	D741 L749 K750 M753 L754 L786 P787 D788 L798	D741-W790 PolarHBondContact OD1-NE1 3.03Å; L749-W790 HydrophobicContact CB-CZ2 4.1Å; L749-W790 HydrophobicContact CD2-CZ2 3.91Å; L749-W790 HydrophobicContact CG-CH2 4.27Å; L749-W790 HydrophobicContact CG-CZ2 3.77Å; K750-W790 HydrophobicContact CB-CH2 4.5Å; K750-W790 HydrophobicContact CD-CD2 4.3Å; K750-W790 HydrophobicContact CD-CE3 4.37Å; K750-W790 HydrophobicContact CG-CD2 3.96Å; K750-W790 HydrophobicContact CG-CE3 3.84Å; K750-W790 HydrophobicContact CG-CH2 3.74Å; K750-W790 HydrophobicContact CG-CZ2 3.87Å; K750-W790 HydrophobicContact CG-CZ3 3.74Å; M753-W790 HydrophobicContact CB-CH2 4.16Å; M753-W790 HydrophobicContact CE-CH2 4.19Å; M753-W790 HydrophobicContact CG-CH2 4.44Å; M753-W790 HydrophobicContact SD-CH2 3.69Å; M753-W790 HydrophobicContact SD-CZ2 4.22Å; L754-W790 HydrophobicContact CD1-CE3 4.39Å; L754-W790 HydrophobicContact CD1-CZ3 3.95Å; L754-W790 HydrophobicContact CD2-CZ3 4.04Å; L754-W790 HydrophobicContact CG-CZ3 3.97Å; L786-W790 HydrophobicContact CD2-CZ3 4.39Å; P787-W790 HydrophobicContact CB-CD2 4.3Å; P787-W790 HydrophobicContact CB-CG 4.24Å; P787-W790 HydrophobicContact CG-CD2 4.14Å; P787-W790 HydrophobicContact CG-CH2 4.44Å; P787-W790 HydrophobicContact CG-CZ2 3.86Å; D788-W790 PolarHBondContact O-N 3.13Å; W790-L798 HydrophobicContact CB-CD1 4.4Å; W790-L798 HydrophobicContact CE3-CD1 4.39Å
791	F	85.3	Confident	84.8	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.022	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-121.4	13.2	-180	-52.4	-76.1	0	0	0	111.9	L786 P787 D788 S789 L798 L801 L840 R841	L786-F791 HydrophobicContact CB-CE2 4.09Å; L786-F791 HydrophobicContact CB-CZ 4.47Å; L786-F791 HydrophobicContact CD1-CE2 4.5Å; L786-F791 HydrophobicContact CD1-CZ 4.08Å; P787-F791 VanDerWaalsContact O-CD2 3.32Å; P787-F791 WeakPolarHBondContact O-CD2 3.35Å; P787-F791 WeakPolarHBondContact O-CE2 3.46Å; D788-F791 PolarHBondContact O-N 2.98Å; S789-F791 PolarHBondContact O-N 3.06Å; F791-L798 HydrophobicContact CE1-CD1 4.07Å; F791-L798 HydrophobicContact CE1-CG 4.48Å; F791-L798 HydrophobicContact CZ-CD1 4.36Å; F791-L801 HydrophobicContact CE1-CD1 3.88Å; F791-L801 HydrophobicContact CZ-CD1 3.87Å; F791-L840 HydrophobicContact CE1-CD2 4.22Å; F791-L840 HydrophobicContact CZ-CD2 3.79Å; F791-R841 HydrophobicContact CB-CG 3.98Å; F791-R841 HydrophobicContact CD1-CG 4.07Å; F791-R841 HydrophobicContact CG-CG 4.46Å; F791-R841 VanDerWaalsContact O-CZ 3.24Å; F791-R841 PolarHBondContact O-NE 3.46Å; F791-R841 PolarHBondContact O-NH2 3.39Å
792	E	79	Confident	84.8	Confident	124 Å²	124	43.9 Å²	43.9	58%	0.579	26%	0.264	S	S	*	.	S	Bend	trans	-87.9	135	171.2	-66.3	179.9	-179.6	0	0	109.8	S789 E794	S789-E792 PolarHBondContact O-N 3.47Å; S789-E792 VanDerWaalsContact O-N 3.12Å; E792-E794 PolarHBondContact O-N 3.28Å
793	G	68.4	Low	84.7	Confident	90 Å²	90	48.3 Å²	48.3	93%	0.928	29%	0.288	S	S	*	.	S	Bend	trans	69.5	-25.9	-174.2	0	0	0	0	0	116
794	E	70	Confident	84.7	Confident	76 Å²	76	48.3 Å²	48.3	36%	0.355	29%	0.288	S	S	.	.			trans	-74.4	128.1	175.6	-70.8	-162.2	178.1	0	0	112.7	E792 L798	E792-E794 PolarHBondContact O-N 3.28Å; E794-L798 WeakPolarHBondContact OE2-CD2 3.2Å
795	S	65.9	Low	84.6	Confident	92 Å²	92	46.3 Å²	46.3	64%	0.643	28%	0.276	S	S	*	.			trans	-99.1	-1.1	176.7	51.5	0	0	0	0	114.1
796	V	75.8	Confident	84.5	Confident	93 Å²	93	48.9 Å²	48.9	56%	0.564	29%	0.288	S	S	*	.	S	Bend	trans	-137.6	140.1	-173.2	-178.5	0	0	0	0	109.3
797	C	80.6	Confident	84.3	Confident	6 Å²	6	50 Å²	50	4%	0.041	29%	0.294	C	S	.	.			trans	-64.5	132.2	178.4	-172.7	0	0	0	0	113.4	Q802 L840 C842	C797-Q802 PolarHBondContact O-NE2 3.02Å; C797-Q802 VanDerWaalsContact O-NE2 3.11Å; C797-L840 WeakPolarHBondContact CB-O 3.4Å; C797-L840 PolarHBondContact SG-O 3.42Å; C797-C842 VanDerWaalsContact CB-SG 3.55Å; C797-C842 PolarHBondContact SG-SG 2.86Å
798	L	85.5	Confident	84.1	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	29%	0.29	C	S	.	.			trans	-45.5	137.4	179	-66.6	168.8	0	0	0	113.9	K750 L754 W790 F791 E794 Q800 L801	K750-L798 HydrophobicContact CD-CD1 4.5Å; L754-L798 HydrophobicContact CD1-CD1 4.27Å; W790-L798 HydrophobicContact CB-CD1 4.4Å; W790-L798 HydrophobicContact CE3-CD1 4.39Å; F791-L798 HydrophobicContact CE1-CD1 4.07Å; F791-L798 HydrophobicContact CE1-CG 4.48Å; F791-L798 HydrophobicContact CZ-CD1 4.36Å; E794-L798 WeakPolarHBondContact OE2-CD2 3.2Å; L798-Q800 VanDerWaalsContact C-N 3.29Å; L798-Q800 PolarHBondContact O-N 2.68Å; L798-L801 HydrophobicContact CB-CD1 4.08Å; L798-L801 HydrophobicContact CB-CG 4.19Å; L798-L801 HydrophobicContact CD1-CD1 4.09Å; L798-L801 PolarHBondContact O-N 3.06Å
799	P	86.6	Confident	84.2	Confident	104 Å²	104	47.9 Å²	47.9	68%	0.675	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-56.3	-35.9	179.9	-28	36.2	0	0	0	115	L801 Q802	P799-L801 PolarHBondContact O-N 3.03Å; P799-Q802 VanDerWaalsContact O-CG 3.23Å; P799-Q802 WeakPolarHBondContact O-CG 3.29Å; P799-Q802 PolarHBondContact O-N 3.24Å
800	Q	87.9	Confident	84.1	Confident	53 Å²	53	52.5 Å²	52.5	25%	0.248	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66	-25.5	178.9	-62.9	86.6	-20.9	0	0	112.8	L754 D755 N759 L798	L754-Q800 HydrophobicContact CB-CB 3.72Å; L754-Q800 HydrophobicContact CB-CG 4.22Å; L754-Q800 HydrophobicContact CD1-CB 3.83Å; L754-Q800 HydrophobicContact CD1-CG 4.37Å; L754-Q800 HydrophobicContact CG-CB 4.43Å; D755-Q800 VanDerWaalsContact OD1-CG 3.27Å; D755-Q800 WeakPolarHBondContact OD1-CG 3.39Å; N759-Q800 PolarHBondContact ND2-O 3.02Å; L798-Q800 VanDerWaalsContact C-N 3.29Å; L798-Q800 PolarHBondContact O-N 2.68Å
801	L	90.6	Very high	84	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-87	-2.7	-176.6	-66.9	178.1	0	0	0	113.8	L754 L758 L786 F791 L798 P799 N803 F804 R805 L840	L754-L801 HydrophobicContact CD1-CD2 4.36Å; L754-L801 HydrophobicContact CD1-CG 4.36Å; L754-L801 HydrophobicContact CD2-CD2 3.75Å; L758-L801 HydrophobicContact CD2-CD2 3.73Å; L786-L801 HydrophobicContact CD1-CD1 4.14Å; L786-L801 HydrophobicContact CD1-CD2 3.99Å; F791-L801 HydrophobicContact CE1-CD1 3.88Å; F791-L801 HydrophobicContact CZ-CD1 3.87Å; L798-L801 HydrophobicContact CB-CD1 4.08Å; L798-L801 HydrophobicContact CB-CG 4.19Å; L798-L801 HydrophobicContact CD1-CD1 4.09Å; L798-L801 PolarHBondContact O-N 3.06Å; P799-L801 PolarHBondContact O-N 3.03Å; L801-N803 VanDerWaalsContact C-N 3.25Å; L801-N803 PolarHBondContact O-N 3.35Å; L801-F804 PolarHBondContact O-N 3.38Å; L801-R805 PolarHBondContact O-N 3.41Å; L801-L840 HydrophobicContact CD1-CD2 4.14Å
802	Q	89.3	Confident	84	Confident	53 Å²	53	53.3 Å²	53.3	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-31.9	-173.7	-62.2	-66.7	-27.1	0	0	112.8	C797 P799 R805 N806	C797-Q802 PolarHBondContact O-NE2 3.02Å; C797-Q802 VanDerWaalsContact O-NE2 3.11Å; P799-Q802 VanDerWaalsContact O-CG 3.23Å; P799-Q802 WeakPolarHBondContact O-CG 3.29Å; P799-Q802 PolarHBondContact O-N 3.24Å; Q802-R805 VanDerWaalsContact OE1-CD 3.29Å; Q802-N806 VanDerWaalsContact O-CB 3.3Å; Q802-N806 WeakPolarHBondContact O-CB 3.29Å; Q802-N806 PolarHBondContact O-N 2.8Å; Q802-N806 PolarHBondContact O-ND2 3.3Å
803	N	88.8	Confident	84.4	Confident	93 Å²	93	49.4 Å²	49.4	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-46.7	173.2	-66.6	-32.6	0	0	0	111.9	N759 M763 L801 N806 D807	N759-N803 PolarHBondContact OD1-ND2 3.37Å; M763-N803 HydrophobicContact CE-CB 4.2Å; M763-N803 HydrophobicContact CG-CB 4.36Å; L801-N803 VanDerWaalsContact C-N 3.25Å; L801-N803 PolarHBondContact O-N 3.35Å; N803-N806 PolarHBondContact O-N 3.36Å; N803-D807 PolarHBondContact O-N 3.18Å; N803-D807 VanDerWaalsContact O-N 3.08Å
804	F	91	Very high	85.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-45.3	179.1	-174.5	-130.1	0	0	0	111.5	M763 L766 H779 I782 L801 N806 D807 I808 L840	M763-F804 HydrophobicContact SD-CB 3.78Å; M763-F804 HydrophobicContact SD-CD2 3.92Å; M763-F804 HydrophobicContact SD-CG 4.31Å; L766-F804 HydrophobicContact CD1-CD2 3.96Å; L766-F804 HydrophobicContact CD1-CE2 3.97Å; H779-F804 HydrophobicContact CB-CZ 4.4Å; H779-F804 AromaticContact CD2-CE2 3.67Å; I782-F804 HydrophobicContact CB-CE1 4.47Å; I782-F804 HydrophobicContact CB-CE2 4.25Å; I782-F804 HydrophobicContact CB-CZ 3.76Å; I782-F804 HydrophobicContact CD1-CE2 4.28Å; I782-F804 HydrophobicContact CG2-CE1 3.84Å; I782-F804 HydrophobicContact CG2-CE2 3.96Å; I782-F804 HydrophobicContact CG2-CZ 3.51Å; L801-F804 PolarHBondContact O-N 3.38Å; F804-N806 VanDerWaalsContact C-N 3.31Å; F804-N806 PolarHBondContact O-N 3.17Å; F804-D807 PolarHBondContact O-N 2.7Å; F804-I808 HydrophobicContact CD1-CD1 3.97Å; F804-I808 HydrophobicContact CD2-CD1 4.38Å; F804-I808 HydrophobicContact CE1-CD1 3.9Å; F804-I808 HydrophobicContact CE2-CD1 4.31Å; F804-I808 HydrophobicContact CG-CD1 4.21Å; F804-I808 HydrophobicContact CZ-CD1 4.06Å; F804-I808 WeakPolarHBondContact O-CD1 3.33Å; F804-I808 WeakPolarHBondContact O-CG1 3.39Å; F804-I808 PolarHBondContact O-N 3.1Å; F804-L840 HydrophobicContact CD1-CD1 3.73Å; F804-L840 HydrophobicContact CE1-CD1 3.76Å
805	R	89.9	Confident	85.7	Confident	46 Å²	46	44.5 Å²	44.5	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-51.9	-47.9	169.7	174.5	-168.3	179.2	-169.3	7.8	111.8	L801 Q802 D807 I808 V809 L837 C842 S845	L801-R805 PolarHBondContact O-N 3.41Å; Q802-R805 VanDerWaalsContact OE1-CD 3.29Å; R805-D807 VanDerWaalsContact C-N 3.33Å; R805-D807 PolarHBondContact O-N 2.92Å; R805-I808 PolarHBondContact O-N 3Å; R805-V809 HydrophobicContact CG-CG2 4.47Å; R805-V809 WeakPolarHBondContact O-CB 3.33Å; R805-V809 VanDerWaalsContact O-CG2 3.25Å; R805-V809 WeakPolarHBondContact O-CG2 3.33Å; R805-V809 PolarHBondContact O-N 2.81Å; R805-L837 HydrophobicContact CG-CD2 4.35Å; R805-C842 HydrophobicContact CG-CB 4.49Å; R805-S845 PolarHBondContact NE-OG 2.88Å; R805-S845 PolarHBondContact NH2-OG 3.49Å
806	N	89.6	Confident	86.4	Confident	79 Å²	79	41.2 Å²	41.2	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-34.8	-177.5	-76	-28.2	0	0	0	112.4	Q802 N803 F804 Q810	Q802-N806 VanDerWaalsContact O-CB 3.3Å; Q802-N806 WeakPolarHBondContact O-CB 3.29Å; Q802-N806 PolarHBondContact O-N 2.8Å; Q802-N806 PolarHBondContact O-ND2 3.3Å; N803-N806 PolarHBondContact O-N 3.36Å; F804-N806 VanDerWaalsContact C-N 3.31Å; F804-N806 PolarHBondContact O-N 3.17Å; N806-Q810 WeakPolarHBondContact O-CB 3.11Å; N806-Q810 VanDerWaalsContact O-CG 3.3Å; N806-Q810 WeakPolarHBondContact O-CG 3.42Å; N806-Q810 PolarHBondContact O-N 3.24Å; N806-Q810 PolarHBondContact O-NE2 3.39Å
807	D	88.3	Confident	86.6	Confident	26 Å²	26	44.3 Å²	44.3	14%	0.139	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-45	175.2	-163.7	44.9	0	0	0	111.6	M763 H779 N803 F804 R805 V809 Q810 K811	M763-D807 HydrophobicContact CE-CB 3.99Å; H779-D807 IonicContact NE2-OD2 3.93Å; N803-D807 PolarHBondContact O-N 3.18Å; N803-D807 VanDerWaalsContact O-N 3.08Å; F804-D807 PolarHBondContact O-N 2.7Å; R805-D807 VanDerWaalsContact C-N 3.33Å; R805-D807 PolarHBondContact O-N 2.92Å; D807-V809 PolarHBondContact O-N 2.83Å; D807-Q810 PolarHBondContact O-N 2.76Å; D807-K811 WeakPolarHBondContact O-CB 3.44Å; D807-K811 PolarHBondContact O-N 3.06Å
808	I	88.8	Confident	86.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-47.5	172.1	-62.3	156.7	0	0	0	111.1	H779 F804 R805 Q810 K811 V812 E833 V836 L837 L840	H779-I808 HydrophobicContact CB-CG1 4.41Å; H779-I808 WeakPolarHBondContact ND1-CG1 3.19Å; F804-I808 HydrophobicContact CD1-CD1 3.97Å; F804-I808 HydrophobicContact CD2-CD1 4.38Å; F804-I808 HydrophobicContact CE1-CD1 3.9Å; F804-I808 HydrophobicContact CE2-CD1 4.31Å; F804-I808 HydrophobicContact CG-CD1 4.21Å; F804-I808 HydrophobicContact CZ-CD1 4.06Å; F804-I808 WeakPolarHBondContact O-CD1 3.33Å; F804-I808 WeakPolarHBondContact O-CG1 3.39Å; F804-I808 PolarHBondContact O-N 3.1Å; R805-I808 PolarHBondContact O-N 3Å; I808-Q810 PolarHBondContact O-N 3.36Å; I808-K811 WeakPolarHBondContact O-CB 3.41Å; I808-K811 PolarHBondContact O-N 2.63Å; I808-K811 VanDerWaalsContact O-N 3.14Å; I808-V812 WeakPolarHBondContact O-CG2 3.18Å; I808-V812 PolarHBondContact O-N 2.75Å; I808-E833 HydrophobicContact CG2-CB 4.19Å; I808-V836 HydrophobicContact CD1-CG1 3.81Å; I808-L837 HydrophobicContact CB-CD2 4.09Å; I808-L837 HydrophobicContact CD1-CD2 4.27Å; I808-L837 HydrophobicContact CG2-CD1 4.03Å; I808-L837 HydrophobicContact CG2-CD2 3.74Å; I808-L837 HydrophobicContact CG2-CG 3.66Å; I808-L840 HydrophobicContact CD1-CD1 4.01Å
809	V	88.9	Confident	85	Confident	22 Å²	22	54.3 Å²	54.3	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-39.6	178.7	169.2	0	0	0	0	111.7	R805 D807 H813 L837 L849	R805-V809 HydrophobicContact CG-CG2 4.47Å; R805-V809 WeakPolarHBondContact O-CB 3.33Å; R805-V809 VanDerWaalsContact O-CG2 3.25Å; R805-V809 WeakPolarHBondContact O-CG2 3.33Å; R805-V809 PolarHBondContact O-N 2.81Å; D807-V809 PolarHBondContact O-N 2.83Å; V809-H813 WeakPolarHBondContact O-CB 3.39Å; V809-H813 PolarHBondContact O-CD2 2.9Å; V809-H813 PolarHBondContact O-N 3.27Å; V809-L837 HydrophobicContact CG2-CD1 4.24Å; V809-L837 HydrophobicContact CG2-CD2 4.4Å; V809-L849 HydrophobicContact CG1-CD2 4.48Å; V809-L849 HydrophobicContact CG2-CD1 4.21Å
810	Q	87.9	Confident	83.6	Confident	130 Å²	130	54.2 Å²	54.2	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-65.2	-38.9	172.6	-77.5	-179.3	74	0	0	112	N806 D807 I808 H813 S814	N806-Q810 WeakPolarHBondContact O-CB 3.11Å; N806-Q810 VanDerWaalsContact O-CG 3.3Å; N806-Q810 WeakPolarHBondContact O-CG 3.42Å; N806-Q810 PolarHBondContact O-N 3.24Å; N806-Q810 PolarHBondContact O-NE2 3.39Å; D807-Q810 PolarHBondContact O-N 2.76Å; I808-Q810 PolarHBondContact O-N 3.36Å; Q810-H813 WeakPolarHBondContact O-CB 3.39Å; Q810-H813 PolarHBondContact O-N 2.71Å; Q810-S814 WeakPolarHBondContact O-CB 3.44Å; Q810-S814 PolarHBondContact O-N 3.35Å
811	K	85.3	Confident	82	Confident	24 Å²	24	55.8 Å²	55.8	10%	0.104	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-45.1	176.8	-177.1	54.4	178.6	177.1	0	111.9	S772 V775 D807 I808 S814 L815 E833	S772-K811 PolarHBondContact O-NZ 2.68Å; V775-K811 HydrophobicContact CB-CD 4.21Å; V775-K811 HydrophobicContact CB-CG 4.28Å; V775-K811 HydrophobicContact CG1-CD 4.46Å; V775-K811 HydrophobicContact CG1-CG 4.23Å; V775-K811 HydrophobicContact CG2-CD 4.03Å; D807-K811 WeakPolarHBondContact O-CB 3.44Å; D807-K811 PolarHBondContact O-N 3.06Å; I808-K811 WeakPolarHBondContact O-CB 3.41Å; I808-K811 PolarHBondContact O-N 2.63Å; I808-K811 VanDerWaalsContact O-N 3.14Å; K811-S814 WeakPolarHBondContact O-CB 3.49Å; K811-S814 PolarHBondContact O-N 3.42Å; K811-S814 VanDerWaalsContact O-N 3.09Å; K811-L815 HydrophobicContact CD-CG 4.36Å; K811-L815 HydrophobicContact CG-CD1 4.36Å; K811-L815 WeakPolarHBondContact O-CG 3.47Å; K811-L815 PolarHBondContact O-N 3.45Å; K811-E833 WeakPolarHBondContact CG-OE1 3.37Å
812	V	86.1	Confident	80.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-43.5	173.3	-179.9	0	0	0	0	111.2	I808 S814 L815 C816 V830 E833 L849	I808-V812 WeakPolarHBondContact O-CG2 3.18Å; I808-V812 PolarHBondContact O-N 2.75Å; V812-S814 PolarHBondContact O-N 2.96Å; V812-L815 PolarHBondContact O-N 2.98Å; V812-C816 WeakPolarHBondContact O-CB 3.3Å; V812-C816 PolarHBondContact O-N 2.8Å; V812-C816 PolarHBondContact O-SG 2.86Å; V812-V830 HydrophobicContact CG1-CG1 4.05Å; V812-E833 HydrophobicContact CG2-CB 3.39Å; V812-E833 HydrophobicContact CG2-CG 3.94Å; V812-L849 HydrophobicContact CB-CD1 4.02Å; V812-L849 HydrophobicContact CB-CD2 4.22Å; V812-L849 HydrophobicContact CG1-CD1 3.99Å; V812-L849 HydrophobicContact CG1-CD2 3.92Å; V812-L849 HydrophobicContact CG1-CG 4.42Å; V812-L849 HydrophobicContact CG2-CD1 4.31Å
813	H	86.9	Confident	79.1	Confident	42 Å²	42	64.1 Å²	64.1	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-28.8	173.3	-83.9	-35.5	0	0	0	113.7	V809 Q810 K817 L849 K852 Y853	V809-H813 WeakPolarHBondContact O-CB 3.39Å; V809-H813 PolarHBondContact O-CD2 2.9Å; V809-H813 PolarHBondContact O-N 3.27Å; Q810-H813 WeakPolarHBondContact O-CB 3.39Å; Q810-H813 PolarHBondContact O-N 2.71Å; H813-K817 WeakPolarHBondContact O-CD 3.47Å; H813-K817 WeakPolarHBondContact O-CG 3.39Å; H813-L849 VanDerWaalsContact CE1-CD2 3.4Å; H813-L849 WeakPolarHBondContact CE1-CD2 3.32Å; H813-K852 PolarHBondContact CE1-NZ 3.5Å; H813-Y853 AromaticContact CE1-CE2 3.88Å; H813-Y853 AromaticContact ND1-CE2 3.35Å; H813-Y853 WeakPolarHBondContact ND1-CE2 3.47Å; H813-Y853 AromaticContact ND1-CZ 3.6Å; H813-Y853 PolarHBondContact ND1-OH 3.38Å
814	S	84.3	Confident	78.1	Confident	42 Å²	42	64.7 Å²	64.7	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-78.3	-50.3	177	-165.6	0	0	0	0	111.2	Q810 K811 V812 C816 K817 Q818	Q810-S814 WeakPolarHBondContact O-CB 3.44Å; Q810-S814 PolarHBondContact O-N 3.35Å; K811-S814 WeakPolarHBondContact O-CB 3.49Å; K811-S814 PolarHBondContact O-N 3.42Å; K811-S814 VanDerWaalsContact O-N 3.09Å; V812-S814 PolarHBondContact O-N 2.96Å; S814-C816 PolarHBondContact O-N 3.25Å; S814-K817 PolarHBondContact O-N 3.14Å; S814-Q818 WeakPolarHBondContact O-CG 3.43Å; S814-Q818 PolarHBondContact O-N 2.86Å; S814-Q818 PolarHBondContact OG-NE2 3.44Å
815	L	81.8	Confident	77.1	Confident	22 Å²	22	68.2 Å²	68.2	12%	0.115	36%	0.364	C	S	.	.	H	α-helix	trans	-53.7	-50.3	175.8	-69	171.3	0	0	0	111.4	V776 K811 V812 K817 Q818 A829 V830 E833	V776-L815 HydrophobicContact CG2-CD1 4.38Å; K811-L815 HydrophobicContact CD-CG 4.36Å; K811-L815 HydrophobicContact CG-CD1 4.36Å; K811-L815 WeakPolarHBondContact O-CG 3.47Å; K811-L815 PolarHBondContact O-N 3.45Å; V812-L815 PolarHBondContact O-N 2.98Å; L815-K817 PolarHBondContact O-N 3.37Å; L815-K817 VanDerWaalsContact O-N 3.09Å; L815-Q818 PolarHBondContact O-N 3.25Å; L815-A829 HydrophobicContact CD1-CB 4.13Å; L815-V830 HydrophobicContact CB-CG2 3.98Å; L815-V830 HydrophobicContact CD1-CG2 4.23Å; L815-E833 HydrophobicContact CD1-CG 4.43Å
816	C	79.9	Confident	76.4	Confident	22 Å²	22	66.4 Å²	66.4	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-72.4	0.8	-179.8	-55	0	0	0	0	114.8	V812 S814 Y853	V812-C816 WeakPolarHBondContact O-CB 3.3Å; V812-C816 PolarHBondContact O-N 2.8Å; V812-C816 PolarHBondContact O-SG 2.86Å; S814-C816 PolarHBondContact O-N 3.25Å; C816-Y853 HydrophobicContact CB-CD1 3.49Å; C816-Y853 VanDerWaalsContact CB-CD1 3.49Å; C816-Y853 HydrophobicContact CB-CD2 3.96Å; C816-Y853 HydrophobicContact CB-CE1 3.41Å; C816-Y853 VanDerWaalsContact CB-CE1 3.41Å; C816-Y853 HydrophobicContact CB-CE2 3.9Å; C816-Y853 HydrophobicContact CB-CG 3.76Å
817	K	80.3	Confident	75.9	Confident	158 Å²	158	66.1 Å²	66.1	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-110.2	-22.7	172.3	-76.1	174.7	-170.8	173.6	0	113.2	H813 S814 L815	H813-K817 WeakPolarHBondContact O-CD 3.47Å; H813-K817 WeakPolarHBondContact O-CG 3.39Å; S814-K817 PolarHBondContact O-N 3.14Å; L815-K817 PolarHBondContact O-N 3.37Å; L815-K817 VanDerWaalsContact O-N 3.09Å
818	Q	70.9	Confident	75.6	Confident	139 Å²	139	67.4 Å²	67.4	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-89.3	-19.8	-171.9	-74.7	179.9	-9.3	0	0	113.6	S814 L815	S814-Q818 WeakPolarHBondContact O-CG 3.43Å; S814-Q818 PolarHBondContact O-N 2.86Å; S814-Q818 PolarHBondContact OG-NE2 3.44Å; L815-Q818 PolarHBondContact O-N 3.25Å
819	Q	62.2	Low	75.3	Confident	83 Å²	83	68.5 Å²	68.5	39%	0.388	37%	0.374	S	S	.	.	S	Bend	trans	-137.2	150.9	177.6	-64.5	-175.8	-84.7	0	0	111.7	D823 S826	Q819-D823 PolarHBondContact NE2-OD2 3.39Å; Q819-S826 VanDerWaalsContact OE1-CB 3.29Å
820	P	56.6	Low	75.1	Confident	102 Å²	102	67.6 Å²	67.6	66%	0.662	37%	0.369	S	S	*	.			trans	-68.6	150.4	167.8	31.1	-35	0	0	0	110.9	E822	P820-E822 PolarHBondContact O-N 3.11Å
821	S	53.8	Low	75.1	Confident	87 Å²	87	62 Å²	62	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	12.5	-168.1	53.5	0	0	0	0	117
822	E	55.4	Low	75.2	Confident	177 Å²	177	62.8 Å²	62.8	83%	0.827	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-8.6	-175.5	-63	-175.3	160.8	0	0	113.6	P820 P824	P820-E822 PolarHBondContact O-N 3.11Å; E822-P824 WeakPolarHBondContact O-CD 3.43Å
823	D	63.6	Low	75.2	Confident	51 Å²	51	62.7 Å²	62.7	27%	0.273	35%	0.347	S	S	.	.			trans	-76.1	114.5	172.2	-178.4	-23.4	0	0	0	110	Q819 S825 S826 R827	Q819-D823 PolarHBondContact NE2-OD2 3.39Å; D823-S825 VanDerWaalsContact CG-OG 3.3Å; D823-S825 PolarHBondContact O-N 2.9Å; D823-S825 WeakPolarHBondContact OD1-CB 3.49Å; D823-S825 PolarHBondContact OD1-N 2.83Å; D823-S825 PolarHBondContact OD1-OG 2.61Å; D823-S825 PolarHBondContact OD2-OG 2.69Å; D823-S826 PolarHBondContact O-N 2.92Å; D823-S826 PolarHBondContact O-OG 3Å; D823-R827 PolarHBondContact O-N 3Å; D823-R827 VanDerWaalsContact O-N 3.15Å
824	P	67.7	Low	75.3	Confident	105 Å²	105	60.7 Å²	60.7	68%	0.682	34%	0.338	S	S	*	.	H	α-helix	trans	-65.2	-24.4	-176.6	27.7	-35.5	0	0	0	113.3	E822 A828	E822-P824 WeakPolarHBondContact O-CD 3.43Å; P824-A828 WeakPolarHBondContact O-CB 3.41Å; P824-A828 PolarHBondContact O-N 3.35Å
825	S	70.9	Confident	75.5	Confident	74 Å²	74	62 Å²	62	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-71.8	-40.9	175.7	73.2	0	0	0	0	111.5	D823 A828 A829	D823-S825 VanDerWaalsContact CG-OG 3.3Å; D823-S825 PolarHBondContact O-N 2.9Å; D823-S825 WeakPolarHBondContact OD1-CB 3.49Å; D823-S825 PolarHBondContact OD1-N 2.83Å; D823-S825 PolarHBondContact OD1-OG 2.61Å; D823-S825 PolarHBondContact OD2-OG 2.69Å; S825-A828 PolarHBondContact O-N 3.44Å; S825-A829 PolarHBondContact O-N 3.16Å
826	S	74.4	Confident	75.9	Confident	7 Å²	7	61.2 Å²	61.2	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-42.3	174.9	80.3	0	0	0	0	111.6	Q819 D823 A829 V830	Q819-S826 VanDerWaalsContact OE1-CB 3.29Å; D823-S826 PolarHBondContact O-N 2.92Å; D823-S826 PolarHBondContact O-OG 3Å; S826-A829 PolarHBondContact O-N 3.29Å; S826-V830 WeakPolarHBondContact O-CG2 3.15Å; S826-V830 PolarHBondContact O-N 3.37Å; S826-V830 VanDerWaalsContact O-N 3.09Å
827	R	80	Confident	76.3	Confident	73 Å²	73	60.1 Å²	60.1	28%	0.275	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-43.3	177.8	176.9	159.4	173.7	108.9	6.2	111.4	D823 A829 V830 V831 Y855 D857	D823-R827 PolarHBondContact O-N 3Å; D823-R827 VanDerWaalsContact O-N 3.15Å; R827-A829 VanDerWaalsContact C-N 3.34Å; R827-A829 PolarHBondContact O-N 3.1Å; R827-V830 PolarHBondContact O-N 2.96Å; R827-V831 HydrophobicContact CG-CG2 4.48Å; R827-V831 VanDerWaalsContact O-CG2 3.23Å; R827-V831 WeakPolarHBondContact O-CG2 3.27Å; R827-V831 PolarHBondContact O-N 2.86Å; R827-Y855 HydrophobicContact CG-CE1 4.02Å; R827-D857 IonicContact CZ-OD1 2.85Å; R827-D857 IonicContact CZ-OD2 3.51Å; R827-D857 IonicContact NH1-OD1 3.86Å; R827-D857 PolarHBondContact NH1-OD1 3.1Å; R827-D857 IonicContact NH1-OD2 3.07Å; R827-D857 IonicContact NH2-OD1 3.5Å; R827-D857 PolarHBondContact NH2-OD1 3.38Å; R827-D857 IonicContact NH2-OD2 3.8Å; R827-D857 PolarHBondContact NH2-OD2 3.23Å
828	A	83	Confident	76.7	Confident	53 Å²	53	52.6 Å²	52.6	44%	0.438	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-42.7	173.9	0	0	0	0	0	112.1	P824 S825 V830 V831 E832	P824-A828 WeakPolarHBondContact O-CB 3.41Å; P824-A828 PolarHBondContact O-N 3.35Å; S825-A828 PolarHBondContact O-N 3.44Å; A828-V830 PolarHBondContact O-N 2.99Å; A828-V831 PolarHBondContact O-N 2.84Å; A828-E832 WeakPolarHBondContact O-CG 3.44Å; A828-E832 PolarHBondContact O-N 3.49Å
829	A	82.3	Confident	77.5	Confident	24 Å²	24	49 Å²	49	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-42.2	176	0	0	0	0	0	112.7	V776 L815 S825 S826 R827 E832 E833	V776-A829 HydrophobicContact CG2-CB 4.23Å; L815-A829 HydrophobicContact CD1-CB 4.13Å; S825-A829 PolarHBondContact O-N 3.16Å; S826-A829 PolarHBondContact O-N 3.29Å; R827-A829 VanDerWaalsContact C-N 3.34Å; R827-A829 PolarHBondContact O-N 3.1Å; A829-E832 PolarHBondContact O-N 2.87Å; A829-E833 WeakPolarHBondContact O-CG 3.39Å; A829-E833 PolarHBondContact O-N 3.36Å
830	V	84.8	Confident	78.7	Confident	2 Å²	2	45 Å²	45	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-41.1	175.9	171.8	0	0	0	0	111.9	V812 L815 S826 R827 A828 E832 E833 L834 Y855	V812-V830 HydrophobicContact CG1-CG1 4.05Å; L815-V830 HydrophobicContact CB-CG2 3.98Å; L815-V830 HydrophobicContact CD1-CG2 4.23Å; S826-V830 WeakPolarHBondContact O-CG2 3.15Å; S826-V830 PolarHBondContact O-N 3.37Å; S826-V830 VanDerWaalsContact O-N 3.09Å; R827-V830 PolarHBondContact O-N 2.96Å; A828-V830 PolarHBondContact O-N 2.99Å; V830-E832 VanDerWaalsContact C-N 3.28Å; V830-E832 PolarHBondContact O-N 3.47Å; V830-E833 PolarHBondContact O-N 3.49Å; V830-L834 HydrophobicContact CG1-CD1 3.92Å; V830-L834 HydrophobicContact CG1-CG 4.34Å; V830-L834 WeakPolarHBondContact O-CB 3.19Å; V830-L834 VanDerWaalsContact O-CG 3.29Å; V830-L834 WeakPolarHBondContact O-CG 3.34Å; V830-L834 PolarHBondContact O-N 3.46Å; V830-Y855 HydrophobicContact CG1-CD2 4.17Å; V830-Y855 HydrophobicContact CG1-CE1 4.33Å; V830-Y855 HydrophobicContact CG1-CE2 3.93Å; V830-Y855 HydrophobicContact CG1-CG 4.49Å
831	V	86.9	Confident	80.2	Confident	14 Å²	14	42 Å²	42	9%	0.085	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-40.8	175.4	169	0	0	0	0	111.4	R827 A828 L834 K835 V858	R827-V831 HydrophobicContact CG-CG2 4.48Å; R827-V831 VanDerWaalsContact O-CG2 3.23Å; R827-V831 WeakPolarHBondContact O-CG2 3.27Å; R827-V831 PolarHBondContact O-N 2.86Å; A828-V831 PolarHBondContact O-N 2.84Å; V831-L834 PolarHBondContact O-N 3.49Å; V831-K835 HydrophobicContact CG1-CD 4.45Å; V831-K835 WeakPolarHBondContact O-CG 3.17Å; V831-K835 PolarHBondContact O-N 3.25Å; V831-V858 HydrophobicContact CB-CG1 4.38Å; V831-V858 HydrophobicContact CG1-CG1 4.3Å; V831-V858 HydrophobicContact CG2-CG1 3.77Å; V831-V858 HydrophobicContact CG2-CG2 3.9Å
832	E	86.6	Confident	81.7	Confident	39 Å²	39	37.9 Å²	37.9	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-42.6	179.4	-69.1	-62.1	122.5	0	0	113	V776 R780 A828 A829 V830 L834 K835 V836	V776-E832 HydrophobicContact CG1-CB 3.65Å; R780-E832 IonicContact CZ-OE2 2.71Å; R780-E832 IonicContact NE-OE2 2.72Å; R780-E832 PolarHBondContact NE-OE2 2.68Å; R780-E832 IonicContact NH2-OE2 3.42Å; R780-E832 PolarHBondContact NH2-OE2 3.13Å; A828-E832 WeakPolarHBondContact O-CG 3.44Å; A828-E832 PolarHBondContact O-N 3.49Å; A829-E832 PolarHBondContact O-N 2.87Å; V830-E832 VanDerWaalsContact C-N 3.28Å; V830-E832 PolarHBondContact O-N 3.47Å; E832-L834 VanDerWaalsContact C-N 3.29Å; E832-L834 PolarHBondContact O-N 2.68Å; E832-K835 WeakPolarHBondContact O-CB 3.4Å; E832-K835 PolarHBondContact O-N 3.08Å; E832-K835 WeakPolarHBondContact OE1-CD 3.48Å; E832-K835 WeakPolarHBondContact OE1-CE 3.44Å; E832-K835 IonicContact OE1-NZ 2.81Å; E832-K835 PolarHBondContact OE1-NZ 3.03Å; E832-V836 WeakPolarHBondContact O-CG2 3.39Å; E832-V836 PolarHBondContact O-N 3.26Å
833	E	87.9	Confident	83.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-36.8	173	-63.4	-76	-158.4	0	0	111.7	V776 H779 I808 K811 V812 L815 A829 V830 V836 L837	V776-E833 HydrophobicContact CG1-CG 4.1Å; V776-E833 HydrophobicContact CG2-CG 4.12Å; V776-E833 WeakPolarHBondContact CG2-OE1 3.49Å; H779-E833 IonicContact CE1-OE1 2.68Å; H779-E833 IonicContact CE1-OE2 3.46Å; H779-E833 IonicContact CG-OE2 3.77Å; H779-E833 VanDerWaalsContact ND1-CD 3.32Å; H779-E833 IonicContact ND1-OE1 3.33Å; H779-E833 PolarHBondContact ND1-OE1 2.9Å; H779-E833 VanDerWaalsContact ND1-OE1 3.07Å; H779-E833 IonicContact ND1-OE2 2.77Å; H779-E833 PolarHBondContact ND1-OE2 3.46Å; I808-E833 HydrophobicContact CG2-CB 4.19Å; K811-E833 WeakPolarHBondContact CG-OE1 3.37Å; V812-E833 HydrophobicContact CG2-CB 3.39Å; V812-E833 HydrophobicContact CG2-CG 3.94Å; L815-E833 HydrophobicContact CD1-CG 4.43Å; A829-E833 WeakPolarHBondContact O-CG 3.39Å; A829-E833 PolarHBondContact O-N 3.36Å; V830-E833 PolarHBondContact O-N 3.49Å; E833-V836 PolarHBondContact O-N 2.96Å; E833-L837 WeakPolarHBondContact O-CG 3.4Å; E833-L837 PolarHBondContact O-N 2.87Å
834	L	88.3	Confident	84.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-33.4	175.2	-70	172.7	0	0	0	112.5	V830 V831 E832 L837 S838 I846 L849 T850 V858 L864	V830-L834 HydrophobicContact CG1-CD1 3.92Å; V830-L834 HydrophobicContact CG1-CG 4.34Å; V830-L834 WeakPolarHBondContact O-CB 3.19Å; V830-L834 VanDerWaalsContact O-CG 3.29Å; V830-L834 WeakPolarHBondContact O-CG 3.34Å; V830-L834 PolarHBondContact O-N 3.46Å; V831-L834 PolarHBondContact O-N 3.49Å; E832-L834 VanDerWaalsContact C-N 3.29Å; E832-L834 PolarHBondContact O-N 2.68Å; L834-L837 HydrophobicContact CD2-CD1 4.39Å; L834-S838 WeakPolarHBondContact O-CB 3.42Å; L834-S838 PolarHBondContact O-N 3.19Å; L834-I846 HydrophobicContact CD2-CG1 4.29Å; L834-I846 HydrophobicContact CD2-CG2 4.39Å; L834-L849 HydrophobicContact CD2-CB 4.35Å; L834-L849 HydrophobicContact CD2-CD1 4.22Å; L834-T850 HydrophobicContact CD1-CG2 3.95Å; L834-T850 HydrophobicContact CD2-CG2 4.31Å; L834-V858 HydrophobicContact CD1-CG1 4.13Å; L834-L864 HydrophobicContact CB-CD1 3.8Å
835	K	89.2	Confident	85.1	Confident	68 Å²	68	30.3 Å²	30.3	30%	0.296	16%	0.16	S	C	.	.	H	α-helix	trans	-66	-39.5	169.8	-72.6	170.9	-173.1	169.9	0	112	V831 E832 S838 R839 L864	V831-K835 HydrophobicContact CG1-CD 4.45Å; V831-K835 WeakPolarHBondContact O-CG 3.17Å; V831-K835 PolarHBondContact O-N 3.25Å; E832-K835 WeakPolarHBondContact O-CB 3.4Å; E832-K835 PolarHBondContact O-N 3.08Å; E832-K835 WeakPolarHBondContact OE1-CD 3.48Å; E832-K835 WeakPolarHBondContact OE1-CE 3.44Å; E832-K835 IonicContact OE1-NZ 2.81Å; E832-K835 PolarHBondContact OE1-NZ 3.03Å; K835-S838 WeakPolarHBondContact O-CB 3.25Å; K835-S838 PolarHBondContact O-N 3.24Å; K835-R839 PolarHBondContact O-N 2.99Å; K835-L864 HydrophobicContact CG-CD2 3.89Å
836	V	89.3	Confident	85.8	Confident	6 Å²	6	26.8 Å²	26.8	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-49.1	173.6	173.9	0	0	0	0	110.3	R780 A783 I808 E832 E833 S838 R839 L840	R780-V836 HydrophobicContact CB-CG2 4.13Å; R780-V836 HydrophobicContact CG-CG2 4.29Å; A783-V836 HydrophobicContact CB-CG1 3.84Å; I808-V836 HydrophobicContact CD1-CG1 3.81Å; E832-V836 WeakPolarHBondContact O-CG2 3.39Å; E832-V836 PolarHBondContact O-N 3.26Å; E833-V836 PolarHBondContact O-N 2.96Å; V836-S838 PolarHBondContact O-N 3.38Å; V836-R839 PolarHBondContact O-N 3.1Å; V836-L840 HydrophobicContact CG1-CD1 4.18Å; V836-L840 WeakPolarHBondContact O-CG 3.48Å; V836-L840 PolarHBondContact O-N 3Å; V836-L840 VanDerWaalsContact O-N 3.1Å
837	L	88.8	Confident	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-34	174.3	-71.2	176.3	0	0	0	112.7	R805 I808 V809 E833 L834 L840 R841 C842 I846 L849	R805-L837 HydrophobicContact CG-CD2 4.35Å; I808-L837 HydrophobicContact CB-CD2 4.09Å; I808-L837 HydrophobicContact CD1-CD2 4.27Å; I808-L837 HydrophobicContact CG2-CD1 4.03Å; I808-L837 HydrophobicContact CG2-CD2 3.74Å; I808-L837 HydrophobicContact CG2-CG 3.66Å; V809-L837 HydrophobicContact CG2-CD1 4.24Å; V809-L837 HydrophobicContact CG2-CD2 4.4Å; E833-L837 WeakPolarHBondContact O-CG 3.4Å; E833-L837 PolarHBondContact O-N 2.87Å; L834-L837 HydrophobicContact CD2-CD1 4.39Å; L837-L840 PolarHBondContact O-N 3.12Å; L837-R841 PolarHBondContact O-N 3.24Å; L837-C842 HydrophobicContact CB-CB 3.94Å; L837-C842 HydrophobicContact CD2-CB 3.71Å; L837-C842 HydrophobicContact CG-CB 4.39Å; L837-C842 VanDerWaalsContact O-CB 3.29Å; L837-C842 WeakPolarHBondContact O-CB 3.4Å; L837-C842 PolarHBondContact O-N 2.99Å; L837-I846 HydrophobicContact CB-CD1 4.14Å; L837-I846 HydrophobicContact CB-CG1 3.85Å; L837-L849 HydrophobicContact CD1-CD1 3.79Å
838	S	88.4	Confident	86.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-47.8	178.1	-176.6	0	0	0	0	111.6	L834 K835 V836 L840 R841 L864 Q867	L834-S838 WeakPolarHBondContact O-CB 3.42Å; L834-S838 PolarHBondContact O-N 3.19Å; K835-S838 WeakPolarHBondContact O-CB 3.25Å; K835-S838 PolarHBondContact O-N 3.24Å; V836-S838 PolarHBondContact O-N 3.38Å; S838-L840 PolarHBondContact O-N 3.2Å; S838-R841 PolarHBondContact O-N 3.27Å; S838-L864 WeakPolarHBondContact CB-O 3.47Å; S838-L864 WeakPolarHBondContact OG-CA 3.39Å; S838-L864 PolarHBondContact OG-O 3.05Å; S838-Q867 PolarHBondContact OG-NE2 3.2Å
839	R	87.9	Confident	86.9	Confident	63 Å²	63	28.2 Å²	28.2	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-56.1	-38	173.4	178.7	174	175.6	75.9	1	112.3	A783 L786 D788 K835 V836 R841	A783-R839 PolarHBondContact O-NE 2.94Å; A783-R839 PolarHBondContact O-NH2 2.96Å; L786-R839 PolarHBondContact O-NH2 3.15Å; D788-R839 IonicContact OD1-CZ 2.79Å; D788-R839 IonicContact OD1-NH1 3.79Å; D788-R839 PolarHBondContact OD1-NH1 3.1Å; D788-R839 IonicContact OD1-NH2 3.3Å; D788-R839 PolarHBondContact OD1-NH2 3.3Å; D788-R839 IonicContact OD2-NH1 3.14Å; K835-R839 PolarHBondContact O-N 2.99Å; V836-R839 PolarHBondContact O-N 3.1Å; R839-R841 VanDerWaalsContact C-N 3.26Å; R839-R841 PolarHBondContact O-N 3.19Å
840	L	87.8	Confident	87	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	9.8	178.5	-56.3	-179.1	0	0	0	114.3	A783 L786 F791 C797 L801 F804 I808 V836 L837 S838 C842	A783-L840 HydrophobicContact CB-CD2 4.3Å; L786-L840 HydrophobicContact CD1-CD2 3.84Å; F791-L840 HydrophobicContact CE1-CD2 4.22Å; F791-L840 HydrophobicContact CZ-CD2 3.79Å; C797-L840 WeakPolarHBondContact CB-O 3.4Å; C797-L840 PolarHBondContact SG-O 3.42Å; L801-L840 HydrophobicContact CD1-CD2 4.14Å; F804-L840 HydrophobicContact CD1-CD1 3.73Å; F804-L840 HydrophobicContact CE1-CD1 3.76Å; I808-L840 HydrophobicContact CD1-CD1 4.01Å; V836-L840 HydrophobicContact CG1-CD1 4.18Å; V836-L840 WeakPolarHBondContact O-CG 3.48Å; V836-L840 PolarHBondContact O-N 3Å; V836-L840 VanDerWaalsContact O-N 3.1Å; L837-L840 PolarHBondContact O-N 3.12Å; S838-L840 PolarHBondContact O-N 3.2Å; L840-C842 PolarHBondContact O-N 2.86Å
841	R	86.9	Confident	87	Confident	37 Å²	37	29.7 Å²	29.7	14%	0.14	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	29.8	-176.6	-49.9	-61.6	-169.2	-173.5	1.8	114.1	F791 L837 S838 R839 Y843 Q867	F791-R841 HydrophobicContact CB-CG 3.98Å; F791-R841 HydrophobicContact CD1-CG 4.07Å; F791-R841 HydrophobicContact CG-CG 4.46Å; F791-R841 VanDerWaalsContact O-CZ 3.24Å; F791-R841 PolarHBondContact O-NE 3.46Å; F791-R841 PolarHBondContact O-NH2 3.39Å; L837-R841 PolarHBondContact O-N 3.24Å; S838-R841 PolarHBondContact O-N 3.27Å; R839-R841 VanDerWaalsContact C-N 3.26Å; R839-R841 PolarHBondContact O-N 3.19Å; R841-Y843 HydrophobicContact CB-CE2 4.4Å; R841-Y843 VanDerWaalsContact CD-OH 3.31Å; R841-Y843 WeakPolarHBondContact CD-OH 3.29Å; R841-Y843 PolarHBondContact NH1-OH 3.31Å; R841-Y843 PolarHBondContact O-N 3.09Å; R841-Q867 PolarHBondContact NH1-O 3.17Å; R841-Q867 PolarHBondContact NH2-O 3.2Å
842	C	85.2	Confident	86.9	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.187	C	C	.	.			trans	-81.1	44.1	-179.9	-68	0	0	0	0	113.3	C797 R805 L837 L840 D844 S845 I846	C797-C842 VanDerWaalsContact CB-SG 3.55Å; C797-C842 PolarHBondContact SG-SG 2.86Å; R805-C842 HydrophobicContact CG-CB 4.49Å; L837-C842 HydrophobicContact CB-CB 3.94Å; L837-C842 HydrophobicContact CD2-CB 3.71Å; L837-C842 HydrophobicContact CG-CB 4.39Å; L837-C842 VanDerWaalsContact O-CB 3.29Å; L837-C842 WeakPolarHBondContact O-CB 3.4Å; L837-C842 PolarHBondContact O-N 2.99Å; L840-C842 PolarHBondContact O-N 2.86Å; C842-D844 PolarHBondContact O-N 3.49Å; C842-S845 WeakPolarHBondContact O-CB 3.46Å; C842-S845 PolarHBondContact O-N 2.84Å; C842-I846 PolarHBondContact O-N 2.99Å
843	Y	85.7	Confident	86.8	Confident	47 Å²	47	35 Å²	35	18%	0.184	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-40.8	-168.2	-59.4	-43.3	0	0	0	114.3	R841 S845 I846 L847 L864 L865	R841-Y843 HydrophobicContact CB-CE2 4.4Å; R841-Y843 VanDerWaalsContact CD-OH 3.31Å; R841-Y843 WeakPolarHBondContact CD-OH 3.29Å; R841-Y843 PolarHBondContact NH1-OH 3.31Å; R841-Y843 PolarHBondContact O-N 3.09Å; Y843-S845 VanDerWaalsContact C-N 3.26Å; Y843-S845 PolarHBondContact O-N 3.43Å; Y843-I846 HydrophobicContact CD1-CD1 4.31Å; Y843-I846 WeakPolarHBondContact O-CB 3.47Å; Y843-I846 PolarHBondContact O-N 3.29Å; Y843-I846 VanDerWaalsContact O-N 3.12Å; Y843-L847 PolarHBondContact O-N 3.11Å; Y843-L864 WeakPolarHBondContact CE1-O 3.45Å; Y843-L865 HydrophobicContact CD1-CD2 3.6Å; Y843-L865 HydrophobicContact CE1-CD2 4.44Å; Y843-L865 HydrophobicContact CG-CD2 4.06Å
844	D	86.1	Confident	86.5	Confident	113 Å²	113	41.9 Å²	41.9	60%	0.604	22%	0.219	S	C	*	.	H	α-helix	trans	-56.8	-39.5	174.6	-61.7	-33.8	0	0	0	112.7	C842 A848	C842-D844 PolarHBondContact O-N 3.49Å; D844-A848 VanDerWaalsContact O-CB 3.22Å; D844-A848 WeakPolarHBondContact O-CB 3.3Å; D844-A848 PolarHBondContact O-N 3.38Å
845	S	85.9	Confident	86.2	Confident	13 Å²	13	42.5 Å²	42.5	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-72.1	-34.3	179.4	-70.6	0	0	0	0	111.7	R805 C842 Y843 L849	R805-S845 PolarHBondContact NE-OG 2.88Å; R805-S845 PolarHBondContact NH2-OG 3.49Å; C842-S845 WeakPolarHBondContact O-CB 3.46Å; C842-S845 PolarHBondContact O-N 2.84Å; Y843-S845 VanDerWaalsContact C-N 3.26Å; Y843-S845 PolarHBondContact O-N 3.43Å; S845-L849 VanDerWaalsContact O-CB 3.26Å; S845-L849 WeakPolarHBondContact O-CB 3.42Å; S845-L849 WeakPolarHBondContact O-CD1 3.43Å; S845-L849 PolarHBondContact O-N 3.44Å; S845-L849 WeakPolarHBondContact O-CG 3.17Å
846	I	85.9	Confident	85.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-54.7	173.1	-66.1	167	0	0	0	109.1	L834 L837 C842 Y843 A848 L849 T850 V859 L864 L865	L834-I846 HydrophobicContact CD2-CG1 4.29Å; L834-I846 HydrophobicContact CD2-CG2 4.39Å; L837-I846 HydrophobicContact CB-CD1 4.14Å; L837-I846 HydrophobicContact CB-CG1 3.85Å; C842-I846 PolarHBondContact O-N 2.99Å; Y843-I846 HydrophobicContact CD1-CD1 4.31Å; Y843-I846 WeakPolarHBondContact O-CB 3.47Å; Y843-I846 PolarHBondContact O-N 3.29Å; Y843-I846 VanDerWaalsContact O-N 3.12Å; I846-A848 PolarHBondContact O-N 3.23Å; I846-A848 VanDerWaalsContact C-N 3.34Å; I846-L849 PolarHBondContact O-N 2.86Å; I846-L849 VanDerWaalsContact O-N 3.13Å; I846-T850 HydrophobicContact CG2-CG2 4.17Å; I846-T850 WeakPolarHBondContact O-CG2 3.38Å; I846-T850 PolarHBondContact O-N 3.41Å; I846-T850 PolarHBondContact O-OG1 3.3Å; I846-V859 HydrophobicContact CG2-CG2 4.21Å; I846-L864 HydrophobicContact CD1-CB 4.46Å; I846-L865 HydrophobicContact CB-CD2 4.36Å; I846-L865 HydrophobicContact CD1-CD2 4.39Å; I846-L865 HydrophobicContact CG2-CD2 4.18Å
847	L	86.3	Confident	85.3	Confident	95 Å²	95	46.6 Å²	46.6	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-43.6	180	-70.2	170.8	0	0	0	112.5	Y843 L849 G851 L865	Y843-L847 PolarHBondContact O-N 3.11Å; L847-L849 VanDerWaalsContact C-N 3.34Å; L847-L849 PolarHBondContact O-N 2.85Å; L847-G851 PolarHBondContact O-N 2.66Å; L847-G851 VanDerWaalsContact O-N 3.14Å; L847-L865 HydrophobicContact CG-CD1 4.34Å; L847-L865 HydrophobicContact CD2-CD1 3.84Å
848	A	87.4	Confident	84.9	Confident	65 Å²	65	46.6 Å²	46.6	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-70.9	-24.8	178.9	0	0	0	0	0	114	D844 I846 K852	D844-A848 VanDerWaalsContact O-CB 3.22Å; D844-A848 WeakPolarHBondContact O-CB 3.3Å; D844-A848 PolarHBondContact O-N 3.38Å; I846-A848 PolarHBondContact O-N 3.23Å; I846-A848 VanDerWaalsContact C-N 3.34Å; A848-K852 VanDerWaalsContact O-CB 3.28Å; A848-K852 WeakPolarHBondContact O-CB 3.48Å
849	L	86.9	Confident	84.4	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-83	-47.8	174.1	-75.9	169.4	0	0	0	111.4	V809 V812 H813 L834 L837 S845 I846 L847 K852 Y853	V809-L849 HydrophobicContact CG1-CD2 4.48Å; V809-L849 HydrophobicContact CG2-CD1 4.21Å; V812-L849 HydrophobicContact CB-CD1 4.02Å; V812-L849 HydrophobicContact CB-CD2 4.22Å; V812-L849 HydrophobicContact CG1-CD1 3.99Å; V812-L849 HydrophobicContact CG1-CD2 3.92Å; V812-L849 HydrophobicContact CG1-CG 4.42Å; V812-L849 HydrophobicContact CG2-CD1 4.31Å; H813-L849 VanDerWaalsContact CE1-CD2 3.4Å; H813-L849 WeakPolarHBondContact CE1-CD2 3.32Å; L834-L849 HydrophobicContact CD2-CB 4.35Å; L834-L849 HydrophobicContact CD2-CD1 4.22Å; L837-L849 HydrophobicContact CD1-CD1 3.79Å; S845-L849 VanDerWaalsContact O-CB 3.26Å; S845-L849 WeakPolarHBondContact O-CB 3.42Å; S845-L849 WeakPolarHBondContact O-CD1 3.43Å; S845-L849 PolarHBondContact O-N 3.44Å; S845-L849 WeakPolarHBondContact O-CG 3.17Å; I846-L849 PolarHBondContact O-N 2.86Å; I846-L849 VanDerWaalsContact O-N 3.13Å; L847-L849 VanDerWaalsContact C-N 3.34Å; L847-L849 PolarHBondContact O-N 2.85Å; L849-K852 PolarHBondContact O-N 2.65Å; L849-Y853 HydrophobicContact CD2-CE2 4.23Å; L849-Y853 WeakPolarHBondContact O-CD2 2.78Å; L849-Y853 PolarHBondContact O-N 3.09Å
850	T	85.3	Confident	83.9	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-45.9	-174.4	56.8	0	0	0	0	111.4	L834 I846 K852 Y853 H854 Y855 V859	L834-T850 HydrophobicContact CD1-CG2 3.95Å; L834-T850 HydrophobicContact CD2-CG2 4.31Å; I846-T850 HydrophobicContact CG2-CG2 4.17Å; I846-T850 WeakPolarHBondContact O-CG2 3.38Å; I846-T850 PolarHBondContact O-N 3.41Å; I846-T850 PolarHBondContact O-OG1 3.3Å; T850-K852 PolarHBondContact O-N 3.47Å; T850-K852 VanDerWaalsContact O-N 3.13Å; T850-Y853 PolarHBondContact O-N 3.44Å; T850-H854 WeakPolarHBondContact O-CA 3.18Å; T850-H854 PolarHBondContact O-N 2.9Å; T850-Y855 PolarHBondContact O-N 2.65Å; T850-Y855 VanDerWaalsContact O-N 3.13Å; T850-V859 HydrophobicContact CG2-CG2 3.66Å
851	G	83.8	Confident	83.5	Confident	51 Å²	51	57.1 Å²	57.1	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-6.8	174.9	0	0	0	0	0	115.6	L847 E856	L847-G851 PolarHBondContact O-N 2.66Å; L847-G851 VanDerWaalsContact O-N 3.14Å; G851-E856 WeakPolarHBondContact CA-OE1 3.35Å
852	K	86.3	Confident	83	Confident	120 Å²	120	59.3 Å²	59.3	52%	0.522	31%	0.31	S	S	.	.	H	α-helix	trans	-99.9	-23.9	177.1	-176.1	176.9	-177.5	173	0	113.2	H813 A848 L849 T850	H813-K852 PolarHBondContact CE1-NZ 3.5Å; A848-K852 VanDerWaalsContact O-CB 3.28Å; A848-K852 WeakPolarHBondContact O-CB 3.48Å; L849-K852 PolarHBondContact O-N 2.65Å; T850-K852 PolarHBondContact O-N 3.47Å; T850-K852 VanDerWaalsContact O-N 3.13Å
853	Y	83.6	Confident	82.7	Confident	45 Å²	45	65.9 Å²	65.9	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-125.5	4.4	-175	-64.9	-73	0	0	0	113.9	H813 C816 L849 T850	H813-Y853 AromaticContact CE1-CE2 3.88Å; H813-Y853 AromaticContact ND1-CE2 3.35Å; H813-Y853 WeakPolarHBondContact ND1-CE2 3.47Å; H813-Y853 AromaticContact ND1-CZ 3.6Å; H813-Y853 PolarHBondContact ND1-OH 3.38Å; C816-Y853 HydrophobicContact CB-CD1 3.49Å; C816-Y853 VanDerWaalsContact CB-CD1 3.49Å; C816-Y853 HydrophobicContact CB-CD2 3.96Å; C816-Y853 HydrophobicContact CB-CE1 3.41Å; C816-Y853 VanDerWaalsContact CB-CE1 3.41Å; C816-Y853 HydrophobicContact CB-CE2 3.9Å; C816-Y853 HydrophobicContact CB-CG 3.76Å; L849-Y853 HydrophobicContact CD2-CE2 4.23Å; L849-Y853 WeakPolarHBondContact O-CD2 2.78Å; L849-Y853 PolarHBondContact O-N 3.09Å; T850-Y853 PolarHBondContact O-N 3.44Å
854	H	80.8	Confident	82.4	Confident	145 Å²	145	63.7 Å²	63.7	67%	0.671	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	53	179.6	-46.5	90.6	0	0	0	113.4	T850 E856	T850-H854 WeakPolarHBondContact O-CA 3.18Å; T850-H854 PolarHBondContact O-N 2.9Å; H854-E856 WeakPolarHBondContact CA-OE2 3.2Å
855	Y	81.9	Confident	81.8	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.051	32%	0.315	C	S	.	.			trans	-111.9	27.2	174.1	-71.6	-75.7	0	0	0	112.3	R827 V830 T850 D857 V858	R827-Y855 HydrophobicContact CG-CE1 4.02Å; V830-Y855 HydrophobicContact CG1-CD2 4.17Å; V830-Y855 HydrophobicContact CG1-CE1 4.33Å; V830-Y855 HydrophobicContact CG1-CE2 3.93Å; V830-Y855 HydrophobicContact CG1-CG 4.49Å; T850-Y855 PolarHBondContact O-N 2.65Å; T850-Y855 VanDerWaalsContact O-N 3.13Å; Y855-D857 PolarHBondContact O-N 3Å; Y855-V858 HydrophobicContact CG-CG2 4.44Å; Y855-V858 HydrophobicContact CD1-CG2 3.85Å; Y855-V858 PolarHBondContact O-N 3.12Å; Y855-V858 WeakPolarHBondContact O-CB 3.49Å
856	E	79.8	Confident	80.7	Confident	76 Å²	76	66 Å²	66	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-31.9	-179.3	-58	80.7	-178.1	0	0	111.6	G851 H854 V858 V859 Y860	G851-E856 WeakPolarHBondContact CA-OE1 3.35Å; H854-E856 WeakPolarHBondContact CA-OE2 3.2Å; E856-V858 VanDerWaalsContact C-N 3.27Å; E856-V858 PolarHBondContact O-N 3.09Å; E856-V859 WeakPolarHBondContact O-CB 3.26Å; E856-V859 PolarHBondContact O-N 3.41Å; E856-V859 VanDerWaalsContact O-N 3.1Å; E856-Y860 WeakPolarHBondContact O-CD2 3.34Å
857	D	80.1	Confident	79.5	Confident	84 Å²	84	69.7 Å²	69.7	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-64.5	-30.7	177.7	76.5	-40.6	0	0	0	112.8	R827 Y855 V859 S861	R827-D857 IonicContact CZ-OD1 2.85Å; R827-D857 IonicContact CZ-OD2 3.51Å; R827-D857 IonicContact NH1-OD1 3.86Å; R827-D857 PolarHBondContact NH1-OD1 3.1Å; R827-D857 IonicContact NH1-OD2 3.07Å; R827-D857 IonicContact NH2-OD1 3.5Å; R827-D857 PolarHBondContact NH2-OD1 3.38Å; R827-D857 IonicContact NH2-OD2 3.8Å; R827-D857 PolarHBondContact NH2-OD2 3.23Å; Y855-D857 PolarHBondContact O-N 3Å; D857-V859 VanDerWaalsContact C-N 3.32Å; D857-V859 PolarHBondContact O-N 3.3Å; D857-S861 WeakPolarHBondContact O-CB 3.26Å; D857-S861 PolarHBondContact O-N 3.32Å; D857-S861 PolarHBondContact O-OG 2.93Å
858	V	80	Confident	77.6	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.006	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-38.2	172.3	-180	0	0	0	0	111.3	V831 L834 Y855 E856 S861 H862 L864	V831-V858 HydrophobicContact CB-CG1 4.38Å; V831-V858 HydrophobicContact CG1-CG1 4.3Å; V831-V858 HydrophobicContact CG2-CG1 3.77Å; V831-V858 HydrophobicContact CG2-CG2 3.9Å; L834-V858 HydrophobicContact CD1-CG1 4.13Å; Y855-V858 HydrophobicContact CG-CG2 4.44Å; Y855-V858 HydrophobicContact CD1-CG2 3.85Å; Y855-V858 PolarHBondContact O-N 3.12Å; Y855-V858 WeakPolarHBondContact O-CB 3.49Å; E856-V858 VanDerWaalsContact C-N 3.27Å; E856-V858 PolarHBondContact O-N 3.09Å; V858-S861 WeakPolarHBondContact CA-OG 3.23Å; V858-S861 PolarHBondContact O-OG 2.73Å; V858-H862 PolarHBondContact O-N 3.48Å; V858-L864 HydrophobicContact CG1-CD1 3.9Å
859	V	78.5	Confident	75.5	Confident	14 Å²	14	79.8 Å²	79.8	9%	0.085	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-46.5	-178.8	-172.5	0	0	0	0	110.9	I846 T850 E856 D857 Q863 L864 L865	I846-V859 HydrophobicContact CG2-CG2 4.21Å; T850-V859 HydrophobicContact CG2-CG2 3.66Å; E856-V859 WeakPolarHBondContact O-CB 3.26Å; E856-V859 PolarHBondContact O-N 3.41Å; E856-V859 VanDerWaalsContact O-N 3.1Å; D857-V859 VanDerWaalsContact C-N 3.32Å; D857-V859 PolarHBondContact O-N 3.3Å; V859-Q863 PolarHBondContact O-N 3.11Å; V859-Q863 VanDerWaalsContact O-N 3.08Å; V859-Q863 WeakPolarHBondContact O-CA 3.34Å; V859-L864 HydrophobicContact CG1-CB 4.46Å; V859-L864 PolarHBondContact O-N 3.45Å; V859-L865 HydrophobicContact CG1-CD1 3.65Å; V859-L865 HydrophobicContact CG1-CG 3.68Å
860	Y	78.1	Confident	72.9	Confident	191 Å²	191	92.4 Å²	92.4	75%	0.749	44%	0.444	S	S	*	.	H	α-helix	trans	-73.1	-43.9	179	-63.4	-73.5	0	0	0	112.5	E856 H862 Q863	E856-Y860 WeakPolarHBondContact O-CD2 3.34Å; Y860-H862 PolarHBondContact O-N 3.1Å; Y860-H862 VanDerWaalsContact C-N 3.33Å; Y860-Q863 PolarHBondContact O-N 2.98Å
861	S	78.1	Confident	72.2	Confident	79 Å²	79	96.8 Å²	96.8	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-71.2	-21.9	-176.2	53.8	0	0	0	0	114.8	D857 V858	D857-S861 WeakPolarHBondContact O-CB 3.26Å; D857-S861 PolarHBondContact O-N 3.32Å; D857-S861 PolarHBondContact O-OG 2.93Å; V858-S861 WeakPolarHBondContact CA-OG 3.23Å; V858-S861 PolarHBondContact O-OG 2.73Å
862	H	77.8	Confident	71.6	Confident	83 Å²	83	99.2 Å²	99.2	38%	0.384	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	13.8	173.7	-69.5	-58.7	0	0	0	114	V858 Y860 L864	V858-H862 PolarHBondContact O-N 3.48Å; Y860-H862 PolarHBondContact O-N 3.1Å; Y860-H862 VanDerWaalsContact C-N 3.33Å; H862-L864 HydrophobicContact CB-CD2 3.75Å; H862-L864 HydrophobicContact CB-CG 3.93Å; H862-L864 PolarHBondContact O-N 2.93Å; H862-L864 VanDerWaalsContact O-N 3.1Å
863	Q	78.6	Confident	70.8	Confident	139 Å²	139	98 Å²	98	65%	0.65	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.5	175.6	-62.8	176.1	-31.6	0	0	114.1	V859 Y860 L865 N866	V859-Q863 PolarHBondContact O-N 3.11Å; V859-Q863 VanDerWaalsContact O-N 3.08Å; V859-Q863 WeakPolarHBondContact O-CA 3.34Å; Y860-Q863 PolarHBondContact O-N 2.98Å; Q863-L865 PolarHBondContact O-N 3.01Å; Q863-N866 PolarHBondContact O-N 3.24Å
864	L	78.5	Confident	70.1	Confident	1 Å²	1	101.1 Å²	101.1	1%	0.005	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.2	-163.6	-63.5	-177.7	0	0	0	116.1	L834 K835 S838 Y843 I846 V858 V859 H862	L834-L864 HydrophobicContact CB-CD1 3.8Å; K835-L864 HydrophobicContact CG-CD2 3.89Å; S838-L864 WeakPolarHBondContact CB-O 3.47Å; S838-L864 WeakPolarHBondContact OG-CA 3.39Å; S838-L864 PolarHBondContact OG-O 3.05Å; Y843-L864 WeakPolarHBondContact CE1-O 3.45Å; I846-L864 HydrophobicContact CD1-CB 4.46Å; V858-L864 HydrophobicContact CG1-CD1 3.9Å; V859-L864 HydrophobicContact CG1-CB 4.46Å; V859-L864 PolarHBondContact O-N 3.45Å; H862-L864 HydrophobicContact CB-CD2 3.75Å; H862-L864 HydrophobicContact CB-CG 3.93Å; H862-L864 PolarHBondContact O-N 2.93Å; H862-L864 VanDerWaalsContact O-N 3.1Å
865	L	73.7	Confident	69.4	Low	50 Å²	50	98.4 Å²	98.4	26%	0.262	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-12.7	177.5	-55.1	178.2	0	0	0	113	Y843 I846 L847 V859 Q863	Y843-L865 HydrophobicContact CD1-CD2 3.6Å; Y843-L865 HydrophobicContact CE1-CD2 4.44Å; Y843-L865 HydrophobicContact CG-CD2 4.06Å; I846-L865 HydrophobicContact CB-CD2 4.36Å; I846-L865 HydrophobicContact CD1-CD2 4.39Å; I846-L865 HydrophobicContact CG2-CD2 4.18Å; L847-L865 HydrophobicContact CG-CD1 4.34Å; L847-L865 HydrophobicContact CD2-CD1 3.84Å; V859-L865 HydrophobicContact CG1-CD1 3.65Å; V859-L865 HydrophobicContact CG1-CG 3.68Å; Q863-L865 PolarHBondContact O-N 3.01Å
866	N	62.9	Low	68.6	Low	125 Å²	125	104.1 Å²	104.1	67%	0.668	49%	0.49	S	S	*	.			trans	-118.5	52.8	-172.3	-71.7	47.9	0	0	0	110.3	Q863 E868	Q863-N866 PolarHBondContact O-N 3.24Å; N866-E868 PolarHBondContact O-N 3.26Å
867	Q	60	Low	67.8	Low	77 Å²	77	106.1 Å²	106.1	36%	0.36	50%	0.5	S	S	.	.			trans	-91.2	57.5	170	-71.4	-174.2	9.1	0	0	110.7	S838 R841	S838-Q867 PolarHBondContact OG-NE2 3.2Å; R841-Q867 PolarHBondContact NH1-O 3.17Å; R841-Q867 PolarHBondContact NH2-O 3.2Å
868	E	47	Very low	66.8	Low	181 Å²	181	107.8 Å²	107.8	85%	0.846	50%	0.503	S	S	*	.			trans	-80.9	125	153.9	-66.6	176.8	157.5	0	0	105.9	N866	N866-E868 PolarHBondContact O-N 3.26Å
869	R	44.7	Very low	65.7	Low	191 Å²	191	116.7 Å²	116.7	72%	0.721	55%	0.545	S	S	*	.			trans	-87.4	140.7	168.5	-76.3	-173.5	-179	145	2.8	108.6	D788	D788-R869 IonicContact OD2-CZ 3.64Å; D788-R869 IonicContact OD2-NH1 3.92Å; D788-R869 PolarHBondContact OD2-NH1 3.34Å; D788-R869 IonicContact OD2-NH2 3.79Å; D788-R869 PolarHBondContact OD2-NH2 2.84Å
870	E	30.6	Very low	64.6	Low	269 Å²	269	126 Å²	126	100%	1.257	59%	0.587	S	S	*	*			trans	-72.6	0	159	-62.6	-177.8	133.6	0	0	110.5

Retrieved 870 of 870 residues in 518.6 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).