A0A087XRQ4_POEFO Loading...

All trans-polyprenyl-diphosphate synthase PDSS1

Heterotetrameric enzyme that catalyzes the condensation of farnesyl diphosphate (FPP), which acts as a primer, and isopentenyl diphosphate (IPP) to produce prenyl diphosphates of varying chain lengths and participates in the determination of the side chain of ubiquinone. Supplies nona and decaprenyl diphosphate, the precursors for the side chain of the isoprenoid quinones ubiquinone-9 (Q9)and ubiquinone-10 (Q10) respectively. The enzyme adds isopentenyl diphosphate molecules sequentially to farnesyl diphosphate with trans stereochemistry.

AlphaFold DB , UniProt , Accession A0A087XRQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 aa.

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	29.3	Very low	26.2	Very low	245 Å²	245	150.9 Å²	150.9	100%	1.207	84%	0.837	S	S	*	*				0	136.3	0	-66.5	152.8	150.1	0	0	106.9
2	S	29.8	Very low	26.1	Very low	122 Å²	122	147.3 Å²	147.3	85%	0.853	83%	0.83	S	S	*	*			cis	-151.6	144.8	-3.2	39.4	0	0	0	0	110.4
3	R	28.2	Very low	26	Very low	243 Å²	243	151.5 Å²	151.5	92%	0.917	83%	0.827	S	S	*	*			trans	-65	151.6	-179.9	-63.6	170.2	166.8	-175.6	-5.4	114.7
4	S	26.1	Very low	26	Very low	108 Å²	108	151.6 Å²	151.6	76%	0.755	83%	0.827	S	S	*	*			trans	-161.1	107	136.2	-164.7	0	0	0	0	107.1
5	L	27.9	Very low	25.9	Very low	140 Å²	140	156.7 Å²	156.7	73%	0.733	83%	0.829	S	S	*	*				65.1	100	79.7	-75.7	172.1	0	0	0	115
6	Y	25.6	Very low	25.8	Very low	244 Å²	244	159.7 Å²	159.7	96%	0.957	83%	0.833	S	S	*	*			trans	-146.5	150.9	136.3	-93	-72.5	0	0	0	108.8
7	S	23.3	Very low	26	Very low	100 Å²	100	156.8 Å²	156.8	70%	0.699	83%	0.826	S	S	*	*			trans	-134.3	145.6	-162.3	77.5	0	0	0	0	114.3
8	V	24	Very low	26.7	Very low	128 Å²	128	154.4 Å²	154.4	78%	0.776	82%	0.822	S	S	*	*			trans	63.3	118.4	144.8	178.4	0	0	0	0	118.1
9	S	24.1	Very low	26.9	Very low	118 Å²	118	152.1 Å²	152.1	83%	0.825	82%	0.819	S	S	*	*				-161.9	125.5	112	-81.2	0	0	0	0	111.3
10	A	24.9	Very low	26.8	Very low	92 Å²	92	150.9 Å²	150.9	76%	0.76	82%	0.822	S	S	*	*			trans	-109.5	136.3	169.7	0	0	0	0	0	108.5
11	V	25.5	Very low	26.8	Very low	120 Å²	120	148 Å²	148	73%	0.727	82%	0.818	S	S	*	*			trans	-96.2	108.5	178	179.2	0	0	0	0	109	Y13	V11-Y13 HydrophobicContact CG1-CD2 4.15Å; V11-Y13 HydrophobicContact CG1-CE2 3.74Å
12	S	25	Very low	26.7	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	80%	0.804	S	S	*	*			trans	-105.6	124.7	170.4	-64.2	0	0	0	0	109.5
13	Y	24.5	Very low	26.5	Very low	201 Å²	201	148.5 Å²	148.5	79%	0.788	81%	0.807	S	S	*	*			trans	-88.5	109.8	172.2	-79.1	-81.9	0	0	0	110.7	V11	V11-Y13 HydrophobicContact CG1-CD2 4.15Å; V11-Y13 HydrophobicContact CG1-CE2 3.74Å
14	N	25.4	Very low	26.4	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	80%	0.797	S	S	*	*			trans	-86.1	137.8	165.8	-92.4	-17.5	0	0	0	110.2
15	W	24.4	Very low	26.5	Very low	228 Å²	228	143.9 Å²	143.9	86%	0.864	81%	0.807	S	S	*	*			trans	-139.7	102.1	160.4	-88.2	95.2	0	0	0	110.7
16	F	25.4	Very low	26.3	Very low	205 Å²	205	140.6 Å²	140.6	90%	0.899	81%	0.807	S	S	*	*			trans	-151.3	125.7	159.6	-98.6	-73.7	0	0	0	108.5
17	P	28.9	Very low	26.4	Very low	110 Å²	110	134.4 Å²	134.4	71%	0.714	80%	0.799	S	S	*	*			trans	-90.2	165.3	166.7	35.2	-31.2	0	0	0	111.8
18	P	39.1	Very low	26.6	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	80%	0.804	S	S	*	*			trans	-113	151.1	-150.9	40.2	-33.4	0	0	0	117.4
19	S	29.7	Very low	26.7	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	81%	0.81	S	S	*	*			trans	53.3	129	140.7	63.3	0	0	0	0	122.5
20	C	24.5	Very low	26.7	Very low	128 Å²	128	138.5 Å²	138.5	87%	0.865	81%	0.808	S	S	*	*				-163.5	152.9	110.5	-142.2	0	0	0	0	116
21	A	28.3	Very low	26.7	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	80%	0.804	S	S	*	*			trans	65.7	111.1	150.8	0	0	0	0	0	123.7
22	R	26.8	Very low	26.8	Very low	240 Å²	240	137 Å²	137	91%	0.906	81%	0.808	S	S	*	*			trans	-24.1	140.4	151.8	-57.7	170.3	178.5	-165.4	-1.7	118.1
23	C	25.6	Very low	26.7	Very low	137 Å²	137	143.9 Å²	143.9	93%	0.926	82%	0.817	S	S	*	*				-167.5	160.8	109.2	-104.9	0	0	0	0	110.6
24	G	25.1	Very low	26.6	Very low	68 Å²	68	146 Å²	146	70%	0.701	82%	0.824	S	S	*	*			trans	-118.5	-166.7	-175	0	0	0	0	0	114.4
25	L	27.8	Very low	26.6	Very low	186 Å²	186	147.9 Å²	147.9	97%	0.974	83%	0.83	S	S	*	*			trans	84.3	127.7	178.2	-63.4	155	0	0	0	117.6
26	G	24.5	Very low	26.5	Very low	70 Å²	70	142.8 Å²	142.8	72%	0.722	83%	0.828	S	S	*	*				88.3	93.4	129.4	0	0	0	0	0	119.6
27	S	27.1	Very low	26.4	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	83%	0.825	S	S	*	*			trans	34.7	139.4	130.2	-64.5	0	0	0	0	123.1
28	I	28.3	Very low	26.1	Very low	157 Å²	157	145.3 Å²	145.3	81%	0.805	84%	0.835	S	S	*	*			trans	101.5	141.4	146.3	-70.5	152.8	0	0	0	119.3
29	M	25.6	Very low	25.5	Very low	180 Å²	180	151.4 Å²	151.4	89%	0.887	84%	0.843	S	S	*	*			trans	91.6	124.9	167.4	-78.7	-63.7	164.9	0	0	121.1
30	A	25	Very low	25.2	Very low	96 Å²	96	154.4 Å²	154.4	79%	0.793	85%	0.849	S	S	*	*			trans	-80	171.5	-179.9	0	0	0	0	0	114.8
31	G	24.3	Very low	25.3	Very low	65 Å²	65	157.9 Å²	157.9	67%	0.67	85%	0.85	S	S	*	*			trans	171.7	82.6	167.2	0	0	0	0	0	110.7
32	S	26.6	Very low	25.1	Very low	116 Å²	116	157.4 Å²	157.4	81%	0.811	85%	0.854	S	S	*	*				69.5	88.2	83.7	-64.3	0	0	0	0	114.3
33	W	24.2	Very low	24.9	Very low	252 Å²	252	149.2 Å²	149.2	96%	0.955	84%	0.844	S	S	*	*			trans	-134.5	47	169.2	-105.5	69.3	0	0	0	111.9
34	W	22.6	Very low	24.8	Very low	245 Å²	245	152.3 Å²	152.3	93%	0.928	84%	0.842	S	S	*	*			trans	-145.3	104.7	172.2	-103.6	74.1	0	0	0	110.6
35	M	24	Very low	24.8	Very low	192 Å²	192	154.2 Å²	154.2	95%	0.946	84%	0.84	S	S	*	*			trans	155.4	116.9	145.2	-89.5	-167.2	-164.4	0	0	111.1
36	C	23.2	Very low	24.7	Very low	122 Å²	122	151.5 Å²	151.5	82%	0.824	83%	0.832	S	S	*	*				-165.3	124	122.3	-160.9	0	0	0	0	110.6
37	C	22.6	Very low	24.8	Very low	123 Å²	123	154.1 Å²	154.1	83%	0.831	84%	0.839	S	S	*	*			trans	153.5	94.2	139.1	-87.5	0	0	0	0	112.2
38	R	24.2	Very low	24.7	Very low	245 Å²	245	152 Å²	152	93%	0.925	84%	0.835	S	S	*	*			trans	-143.4	136.3	146.9	-104.7	-168.5	179.4	-160.4	0.6	110.1
39	R	25	Very low	24.6	Very low	241 Å²	241	152 Å²	152	91%	0.909	84%	0.836	S	S	*	*			trans	63.8	119.3	170.2	-75.5	-178.7	170.7	178.4	-1.4	118.3
40	L	24.8	Very low	24.5	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	83%	0.83	S	S	*	*				-143.4	151.8	112.4	-107	166.3	0	0	0	110.2
41	K	25.5	Very low	24.6	Very low	202 Å²	202	153 Å²	153	88%	0.878	83%	0.831	S	S	*	*			trans	-97	148.9	168.2	-67.4	177.2	174	-177.6	0	107.8
42	G	24.5	Very low	24.7	Very low	81 Å²	81	154.7 Å²	154.7	84%	0.835	83%	0.828	S	S	*	*			trans	158.8	139.5	169.5	0	0	0	0	0	112
43	G	22.3	Very low	24.5	Very low	68 Å²	68	157.1 Å²	157.1	70%	0.701	83%	0.831	S	S	*	*			trans	-103.7	-155.6	-179	0	0	0	0	0	113.8
44	F	23.6	Very low	24.5	Very low	201 Å²	201	156.2 Å²	156.2	88%	0.882	83%	0.828	S	S	*	*			trans	72.7	107.7	-170	-66.6	-92.9	0	0	0	112.6
45	T	24.2	Very low	24.6	Very low	108 Å²	108	150 Å²	150	66%	0.663	82%	0.821	S	S	*	*				99.3	121.9	51.7	55	0	0	0	0	113.3
46	T	26.2	Very low	24.5	Very low	129 Å²	129	151 Å²	151	79%	0.791	82%	0.82	S	S	*	*			trans	67.5	129.9	148.2	54.7	0	0	0	0	122.7
47	S	26.8	Very low	24.6	Very low	125 Å²	125	151.1 Å²	151.1	87%	0.874	82%	0.822	S	S	*	*			trans	105.1	141.2	138.2	77.7	0	0	0	0	120.5
48	G	24.9	Very low	24.6	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	82%	0.815	S	S	*	*			trans	87.5	93.6	169.1	0	0	0	0	0	115.9
49	L	25.4	Very low	24.9	Very low	158 Å²	158	146.2 Å²	146.2	83%	0.827	82%	0.815	S	S	*	*				65.1	122.4	70	-76.6	167.1	0	0	0	116
50	T	25.2	Very low	24.9	Very low	123 Å²	123	140.1 Å²	140.1	76%	0.755	81%	0.809	S	S	*	*			trans	45.5	139	148.6	52.7	0	0	0	0	118.5
51	E	27	Very low	25.1	Very low	173 Å²	173	135.7 Å²	135.7	81%	0.808	80%	0.798	S	S	*	*			cis	-164.9	-179.7	15.4	-129.8	-162.3	-80.7	0	0	106.2
52	T	25.6	Very low	25.1	Very low	100 Å²	100	136.8 Å²	136.8	61%	0.613	80%	0.798	S	S	*	*			cis	-149.6	-178.4	4.6	-166.7	0	0	0	0	110.3
53	L	22.7	Very low	25.2	Very low	168 Å²	168	137.7 Å²	137.7	88%	0.88	79%	0.791	S	S	*	*			trans	-132.7	106.1	168.5	-110.7	168	0	0	0	109.2
54	R	23.8	Very low	25.4	Very low	232 Å²	232	139.5 Å²	139.5	88%	0.875	79%	0.793	S	S	*	*			trans	-160	120.3	165.2	-108.5	179.4	-165.7	-174.7	5.9	111.6
55	C	24.2	Very low	25.5	Very low	116 Å²	116	134.7 Å²	134.7	78%	0.784	79%	0.79	S	S	*	*			trans	158.7	104.8	133	-88.8	0	0	0	0	110
56	F	23.5	Very low	25.5	Very low	213 Å²	213	135 Å²	135	93%	0.934	80%	0.797	S	S	*	*				-168.7	137.1	109.1	-112.3	-79.3	0	0	0	109.7
57	S	23.8	Very low	26.3	Very low	123 Å²	123	134 Å²	134	86%	0.86	79%	0.793	S	S	*	*			trans	-139.1	144.7	-179.4	52.4	0	0	0	0	111.1
58	G	24.2	Very low	26.4	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	79%	0.792	S	S	*	*			trans	-175.2	93.7	170.5	0	0	0	0	0	106.9
59	Q	29.8	Very low	26.4	Very low	200 Å²	200	136 Å²	136	94%	0.935	80%	0.796	S	S	*	*				61.6	124.5	94.7	-67.8	-173.2	-4.1	0	0	111.8
60	S	24.8	Very low	26.5	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	80%	0.798	S	S	*	*			cis	-142.4	142.4	42.3	33.2	0	0	0	0	111.8
61	A	29.1	Very low	27	Very low	80 Å²	80	138.8 Å²	138.8	66%	0.661	80%	0.796	S	S	*	*				63.5	127.7	74.6	0	0	0	0	0	113.1
62	Y	25.8	Very low	26.9	Very low	226 Å²	226	135 Å²	135	89%	0.886	79%	0.788	S	S	*	*			cis	-141.8	-175.1	10	-88.7	-76.3	0	0	0	109.2
63	S	25.7	Very low	26.9	Very low	99 Å²	99	142 Å²	142	69%	0.692	80%	0.803	S	S	*	*			cis	-157.1	174.8	10.1	-148.5	0	0	0	0	114.7
64	S	26.9	Very low	27	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	79%	0.793	S	S	*	*			trans	19.2	115	152.5	63.4	0	0	0	0	122.7
65	A	26.8	Very low	27.1	Very low	100 Å²	100	132.9 Å²	132.9	83%	0.826	79%	0.789	S	S	*	*				163.1	136.7	91.8	0	0	0	0	0	112.7
66	S	23.7	Very low	27.1	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	79%	0.788	S	S	*	*			trans	-140.3	-179.7	176.4	-42.5	0	0	0	0	108
67	P	43.3	Very low	28	Very low	110 Å²	110	128 Å²	128	71%	0.714	79%	0.785	S	S	*	*			cis	-137.7	-161.3	-2	41.2	-21.8	0	0	0	114.4
68	T	27.1	Very low	28.1	Very low	139 Å²	139	125.2 Å²	125.2	85%	0.853	78%	0.776	S	S	*	*			trans	107.7	137.6	167.6	66.8	0	0	0	0	114.7
69	A	27	Very low	28.2	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	78%	0.78	S	S	*	*			cis	-154.5	150.7	-22.9	0	0	0	0	0	109.4
70	R	25.6	Very low	28	Very low	233 Å²	233	128.5 Å²	128.5	88%	0.879	77%	0.771	S	S	*	*			trans	-90	161.2	166.1	-94	-172.1	-173.1	-156.4	4.2	109
71	P	37.6	Very low	27.9	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	78%	0.776	S	S	*	*			cis	-135.6	149.6	46.1	23.4	2.5	0	0	0	115.3
72	S	24.6	Very low	28.4	Very low	92 Å²	92	135.7 Å²	135.7	64%	0.643	78%	0.777	S	S	*	*				34.3	136.7	91.6	72.7	0	0	0	0	117.5
73	W	25.3	Very low	28.3	Very low	248 Å²	248	133 Å²	133	94%	0.939	78%	0.778	S	S	*	*			trans	-167.5	173.4	138.6	-111	43.9	0	0	0	110.7
74	S	23.5	Very low	28.2	Very low	94 Å²	94	137.6 Å²	137.6	66%	0.657	79%	0.786	S	S	*	*			trans	-143.5	148.6	-154.4	52.8	0	0	0	0	115.3
75	S	26.1	Very low	28.9	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	79%	0.785	S	S	*	*			trans	68.2	110.8	146.3	-54.4	0	0	0	0	122.7
76	A	25.2	Very low	28.8	Very low	93 Å²	93	137 Å²	137	77%	0.769	78%	0.777	S	S	*	*			trans	73.5	177.5	131.5	0	0	0	0	0	119.5
77	P	42.5	Very low	28.8	Very low	132 Å²	132	140 Å²	140	86%	0.857	78%	0.779	S	S	*	*				-136.2	175.5	-70.4	40.9	-26.7	0	0	0	114.8
78	G	25.1	Very low	28.1	Very low	66 Å²	66	142 Å²	142	68%	0.68	78%	0.782	S	S	*	*			trans	153.2	124.5	149.6	0	0	0	0	0	119.9
79	K	26.3	Very low	28	Very low	177 Å²	177	144.2 Å²	144.2	77%	0.77	78%	0.782	S	S	*	*			trans	57.2	151	138.9	-64.6	176.1	164.3	-105.1	0	119.9
80	E	25.7	Very low	27.9	Very low	157 Å²	157	144.3 Å²	144.3	73%	0.734	78%	0.777	S	S	*	*			cis	-155	173.7	-10.3	-117	156.7	-158.3	0	0	109
81	R	22.7	Very low	27.9	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	78%	0.776	S	S	*	*			trans	-89.3	-162.7	-179.6	-43.9	177.7	176.7	179.2	-1.8	111.1
82	P	40.4	Very low	27.2	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	78%	0.776	S	S	*	*			cis	-134.8	176.9	-19.9	33.2	-13	0	0	0	114.8
83	L	24.2	Very low	27.2	Very low	170 Å²	170	144.6 Å²	144.6	89%	0.89	79%	0.785	S	S	*	*				170.8	147.3	123.3	-92.9	149.7	0	0	0	114.2
84	F	22.4	Very low	27.2	Very low	196 Å²	196	139.5 Å²	139.5	86%	0.86	78%	0.776	S	S	*	*			trans	-102.7	-174.7	176.2	-89.4	-80	0	0	0	109.7
85	P	41.4	Very low	27.2	Very low	111 Å²	111	142.3 Å²	142.3	72%	0.721	78%	0.783	S	S	*	*			cis	-135	-172.8	-30.5	30.1	-8.5	0	0	0	114
86	A	25	Very low	27.2	Very low	81 Å²	81	143.6 Å²	143.6	67%	0.669	78%	0.78	S	S	*	*				120.1	137.9	126.6	0	0	0	0	0	121
87	Q	24.5	Very low	27.8	Very low	177 Å²	177	144 Å²	144	83%	0.827	78%	0.775	S	S	*	*			trans	62.3	113.8	152.1	-68.7	166.2	-7.4	0	0	118.6
88	I	27.3	Very low	26.9	Very low	154 Å²	154	142.8 Å²	142.8	79%	0.79	77%	0.77	S	S	*	*				61.2	112	71.1	-59	172	0	0	0	112.8
89	H	24.9	Very low	26.9	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.856	78%	0.775	S	S	*	*			trans	-150.6	139.8	146.7	-122.7	-72.4	0	0	0	112.6
90	S	25.3	Very low	26.9	Very low	97 Å²	97	145.5 Å²	145.5	68%	0.678	78%	0.776	S	S	*	*			trans	-105.1	157	177.6	53.2	0	0	0	0	112.1
91	K	25.4	Very low	27	Very low	200 Å²	200	149 Å²	149	87%	0.87	78%	0.782	S	S	*	*			trans	-178.1	114.1	158.5	-98.5	156.4	-175.4	-178.5	0	106.1
92	A	23.9	Very low	27.2	Very low	85 Å²	85	147.1 Å²	147.1	70%	0.702	78%	0.783	S	S	*	*			cis	94	136.6	34.7	0	0	0	0	0	114.2
93	L	24.5	Very low	26.5	Very low	155 Å²	155	153.8 Å²	153.8	81%	0.812	79%	0.794	S	S	*	*			trans	76.6	143.1	171.3	-47.3	175.1	0	0	0	115.7
94	N	24.3	Very low	26.7	Very low	141 Å²	141	151.4 Å²	151.4	75%	0.754	79%	0.792	S	S	*	*			cis	-157	159.8	-5.1	-117.9	-15.1	0	0	0	111.5
95	L	24.1	Very low	27	Very low	153 Å²	153	147.3 Å²	147.3	80%	0.801	79%	0.788	S	S	*	*			trans	-76.2	170.4	164.3	-66.9	127.4	0	0	0	109.6
96	N	25.9	Very low	26.3	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	78%	0.783	S	S	*	*			cis	-165.3	-156.7	37.4	-151.1	3.5	0	0	0	111.1
97	P	37.7	Very low	26.4	Very low	102 Å²	102	150.2 Å²	150.2	66%	0.662	79%	0.792	S	S	*	*				-121.7	166.5	-119.2	41	-24.2	0	0	0	116.4
98	S	23.2	Very low	26.5	Very low	106 Å²	106	150.9 Å²	150.9	74%	0.741	79%	0.788	S	S	*	*			trans	-178.8	138.2	135.8	51.8	0	0	0	0	115.6
99	L	26.4	Very low	26.7	Very low	153 Å²	153	149.6 Å²	149.6	80%	0.801	79%	0.79	S	S	*	*			trans	76.9	125	144.4	-70.4	164.3	0	0	0	123
100	L	26.6	Very low	26.9	Very low	148 Å²	148	146.7 Å²	146.7	78%	0.775	79%	0.785	S	S	*	*			trans	82.3	92.7	143.3	-66.2	164.9	0	0	0	120.9
101	R	26.4	Very low	27.2	Very low	230 Å²	230	150.2 Å²	150.2	87%	0.868	80%	0.796	S	S	*	*			trans	9.2	123	134.4	-70.2	178.4	172.8	179.9	-0.6	116.8
102	H	27	Very low	27.3	Very low	197 Å²	197	151.8 Å²	151.8	91%	0.912	80%	0.796	S	S	*	*				-142.7	145	121.2	-113.3	-83.9	0	0	0	111.2
103	R	25.9	Very low	27.6	Very low	247 Å²	247	157.6 Å²	157.6	93%	0.932	80%	0.801	S	S	*	*			trans	-79.8	134.4	-176.7	-71.4	171.6	165.7	176.2	-5.8	110.9
104	S	29.4	Very low	27.8	Very low	121 Å²	121	155.5 Å²	155.5	85%	0.846	80%	0.798	S	S	*	*			trans	-117.1	117.1	155.1	43.4	0	0	0	0	109.1
105	S	27	Very low	28.3	Very low	110 Å²	110	152.4 Å²	152.4	77%	0.769	80%	0.8	S	S	*	*			trans	-88.2	106.6	-175.8	48.1	0	0	0	0	111.2
106	S	27.2	Very low	28.6	Very low	88 Å²	88	150.2 Å²	150.2	62%	0.615	80%	0.796	S	S	*	*			trans	-86	116.5	165.2	-170.7	0	0	0	0	109.9	Y108	S106-Y108 PolarHBondContact O-N 3.21Å; S106-Y108 WeakPolarHBondContact OG-CE2 3.46Å
107	L	27.4	Very low	29	Very low	164 Å²	164	152.6 Å²	152.6	86%	0.859	79%	0.794	S	S	*	*			trans	-81.3	91.9	-179	-73.7	163.6	0	0	0	110.6
108	Y	27.6	Very low	28.7	Very low	192 Å²	192	153.8 Å²	153.8	75%	0.753	80%	0.8	S	S	*	*			trans	-88.9	124.6	159.6	-68.5	-84.1	0	0	0	108.9	S106 T110	S106-Y108 PolarHBondContact O-N 3.21Å; S106-Y108 WeakPolarHBondContact OG-CE2 3.46Å; Y108-T110 PolarHBondContact O-N 3.01Å
109	P	30.2	Very low	29.2	Very low	126 Å²	126	155.3 Å²	155.3	82%	0.818	80%	0.797	S	S	*	*			trans	-68.1	104.9	176.9	-16.5	30.1	0	0	0	110.2	L111	P109-L111 PolarHBondContact O-N 2.73Å
110	T	30.3	Very low	29.8	Very low	124 Å²	124	155.9 Å²	155.9	76%	0.761	80%	0.795	S	S	*	*			trans	-65.7	117.3	166.1	44	0	0	0	0	108.6	Y108 R112	Y108-T110 PolarHBondContact O-N 3.01Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.01Å
111	L	31.3	Very low	30.5	Very low	172 Å²	172	153.6 Å²	153.6	90%	0.901	79%	0.791	S	S	*	*			trans	-59.3	94.3	171.3	-94.3	155.2	0	0	0	109.3	P109 Y113	P109-L111 PolarHBondContact O-N 2.73Å; L111-Y113 PolarHBondContact O-N 2.78Å; L111-Y113 VanDerWaalsContact O-N 3.14Å
112	R	26.7	Very low	31	Very low	232 Å²	232	150.8 Å²	150.8	88%	0.875	79%	0.794	S	S	*	*			trans	-61.7	114.8	166.8	-83.3	-173.2	170	-165.7	-2.7	107.8	T110 C114	T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.01Å; R112-C114 VanDerWaalsContact C-N 3.34Å; R112-C114 PolarHBondContact O-N 3.16Å
113	Y	31	Very low	32.1	Very low	208 Å²	208	145.2 Å²	145.2	82%	0.816	78%	0.782	S	S	*	*			trans	-64.1	93.2	172.7	-129.7	-99.2	0	0	0	108.8	L111 G115	L111-Y113 PolarHBondContact O-N 2.78Å; L111-Y113 VanDerWaalsContact O-N 3.14Å; Y113-G115 PolarHBondContact O-N 3.03Å
114	C	28.4	Very low	33.5	Very low	111 Å²	111	142.7 Å²	142.7	75%	0.75	78%	0.778	S	S	*	*			trans	-77.4	109.8	174	-166.3	0	0	0	0	108.6	R112 C116	R112-C114 VanDerWaalsContact C-N 3.34Å; R112-C114 PolarHBondContact O-N 3.16Å; C114-C116 VanDerWaalsContact C-N 3.31Å; C114-C116 PolarHBondContact O-N 3.03Å
115	G	35.3	Very low	35	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	77%	0.766	S	S	*	*			trans	-74	74.5	-174.5	0	0	0	0	0	113.6	Y113	Y113-G115 PolarHBondContact O-N 3.03Å
116	C	29.7	Very low	37.4	Very low	107 Å²	107	144.6 Å²	144.6	72%	0.723	76%	0.757	S	S	*	*			trans	-127.8	56.7	168.1	-63.4	0	0	0	0	111.2	C114 T118	C114-C116 VanDerWaalsContact C-N 3.31Å; C114-C116 PolarHBondContact O-N 3.03Å; C116-T118 PolarHBondContact O-N 2.89Å
117	R	33.8	Very low	40.2	Very low	191 Å²	191	143.7 Å²	143.7	72%	0.721	75%	0.746	S	S	*	*			trans	-74.7	83	158.7	-78.2	-168.8	-176.6	-168.6	3.2	108.8	M119	R117-M119 HydrophobicContact CB-CG 4.13Å; R117-M119 PolarHBondContact O-N 3.04Å
118	T	31.7	Very low	43.1	Very low	126 Å²	126	135.9 Å²	135.9	77%	0.773	71%	0.705	S	S	*	*			trans	-65.7	86.7	143.4	43.9	0	0	0	0	106.4	C116 H120	C116-T118 PolarHBondContact O-N 2.89Å; T118-H120 PolarHBondContact O-N 3.04Å; T118-H120 VanDerWaalsContact O-N 3.15Å
119	M	34.3	Very low	46	Very low	138 Å²	138	129.9 Å²	129.9	68%	0.68	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-58	119.8	163	-64.6	-140.6	62.5	0	0	105.9	R117 S121	R117-M119 HydrophobicContact CB-CG 4.13Å; R117-M119 PolarHBondContact O-N 3.04Å; M119-S121 PolarHBondContact O-N 3.11Å; M119-S121 VanDerWaalsContact O-N 3.15Å
120	H	38.4	Very low	48.8	Very low	165 Å²	165	128.7 Å²	128.7	76%	0.764	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-54.4	126	162.9	-76.2	-78.6	0	0	0	106.1	T118	T118-H120 PolarHBondContact O-N 3.04Å; T118-H120 VanDerWaalsContact O-N 3.15Å
121	S	41.3	Very low	51.6	Low	100 Å²	100	123.7 Å²	123.7	70%	0.699	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-53.6	168.5	-173.7	48.8	0	0	0	0	112.4	M119 A123	M119-S121 PolarHBondContact O-N 3.11Å; M119-S121 VanDerWaalsContact O-N 3.15Å; S121-A123 PolarHBondContact O-N 2.98Å
122	D	36.5	Very low	54.4	Low	171 Å²	171	115.5 Å²	115.5	91%	0.914	60%	0.599	S	S	*	*			trans	-58.5	53.4	176.5	-61	-73	0	0	0	115	K124	D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 2.94Å
123	A	51.1	Low	57.3	Low	81 Å²	81	109.1 Å²	109.1	67%	0.669	58%	0.579	S	S	*	*			trans	-69.6	87.7	167.7	0	0	0	0	0	107.4	S121 L125	S121-A123 PolarHBondContact O-N 2.98Å; A123-L125 PolarHBondContact O-N 3.24Å
124	K	55.2	Low	60	Low	193 Å²	193	106.8 Å²	106.8	84%	0.839	57%	0.573	S	S	*	*			trans	-32.5	108.9	172.6	-172	176	-174.3	177	0	110.2	D122 R126	D122-K124 VanDerWaalsContact C-N 3.26Å; D122-K124 PolarHBondContact O-N 2.94Å; K124-R126 PolarHBondContact O-N 3.23Å
125	L	61.5	Low	62.9	Low	115 Å²	115	102.4 Å²	102.4	60%	0.602	54%	0.542	S	S	*	.			trans	-45.8	115.6	-178.1	-90.1	148.7	0	0	0	108.9	A123 D127 D434	A123-L125 PolarHBondContact O-N 3.24Å; L125-D127 PolarHBondContact O-N 3.33Å; L125-D434 HydrophobicContact CD2-CB 4.3Å
126	R	76.6	Confident	65.4	Low	156 Å²	156	99.6 Å²	99.6	59%	0.589	51%	0.509	S	S	*	.			trans	-70.4	131.2	-175.3	-67.4	-172.7	-178.7	-176.9	-0.2	108.5	K124 P128	K124-R126 PolarHBondContact O-N 3.23Å; R126-P128 WeakPolarHBondContact O-CD 3.49Å
127	D	86.7	Confident	68.1	Low	69 Å²	69	99 Å²	99	37%	0.369	50%	0.502	S	S	.	.			trans	-55.3	123.6	172.7	166.4	50.7	0	0	0	109.9	L125 F129 T130 L131	L125-D127 PolarHBondContact O-N 3.33Å; D127-F129 VanDerWaalsContact C-N 3.26Å; D127-F129 PolarHBondContact O-N 3.48Å; D127-F129 WeakPolarHBondContact OD1-CD2 3.33Å; D127-F129 WeakPolarHBondContact OD2-CB 3.29Å; D127-T130 PolarHBondContact O-N 3.06Å; D127-T130 VanDerWaalsContact OD2-CB 3.27Å; D127-T130 WeakPolarHBondContact OD2-CB 3.41Å; D127-T130 PolarHBondContact OD2-N 3.37Å; D127-T130 PolarHBondContact OD2-OG1 3.14Å; D127-L131 PolarHBondContact O-N 3.22Å
128	P	88.3	Confident	70.6	Confident	1 Å²	1	92.1 Å²	92.1	1%	0.006	48%	0.484	C	S	.	.	H	α-helix	trans	-60.5	-34.3	-175.9	-26	35.3	0	0	0	113.8	R126 L131 A132 L176 A435 R438 L439 I442	R126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-L131 PolarHBondContact O-N 2.75Å; P128-A132 PolarHBondContact O-N 3.34Å; P128-A132 VanDerWaalsContact O-N 3.14Å; P128-L176 HydrophobicContact CB-CD1 3.98Å; P128-A435 HydrophobicContact CB-CB 4Å; P128-A435 HydrophobicContact CG-CB 4.03Å; P128-A435 WeakPolarHBondContact CG-O 3.36Å; P128-R438 HydrophobicContact CG-CB 3.99Å; P128-R438 HydrophobicContact CG-CG 4.04Å; P128-L439 HydrophobicContact CB-CD1 3.75Å; P128-L439 HydrophobicContact CB-CD2 3.87Å; P128-L439 HydrophobicContact CB-CG 3.51Å; P128-L439 HydrophobicContact CG-CD1 4.49Å; P128-L439 HydrophobicContact CG-CD2 4.29Å; P128-L439 HydrophobicContact CG-CG 3.81Å; P128-I442 HydrophobicContact CG-CD1 4.49Å
129	F	87.3	Confident	73.4	Confident	66 Å²	66	86.1 Å²	86.1	29%	0.289	45%	0.447	S	S	.	.	H	α-helix	trans	-66	-51	177.5	-61.5	-93.9	0	0	0	110	D127 L131 A132 Q133 I172 L439 I442	D127-F129 VanDerWaalsContact C-N 3.26Å; D127-F129 PolarHBondContact O-N 3.48Å; D127-F129 WeakPolarHBondContact OD1-CD2 3.33Å; D127-F129 WeakPolarHBondContact OD2-CB 3.29Å; F129-L131 VanDerWaalsContact C-N 3.29Å; F129-L131 PolarHBondContact O-N 2.83Å; F129-A132 CarbonylContact O-C 3.54Å; F129-A132 PolarHBondContact O-N 2.86Å; F129-Q133 WeakPolarHBondContact O-CA 3.3Å; F129-Q133 WeakPolarHBondContact O-CB 3.14Å; F129-Q133 PolarHBondContact O-N 3.15Å; F129-I172 HydrophobicContact CD1-CD1 3.28Å; F129-I172 HydrophobicContact CE1-CD1 3.44Å; F129-I172 VanDerWaalsContact CE1-CD1 3.44Å; F129-I172 HydrophobicContact CG-CD1 4.21Å; F129-I172 HydrophobicContact CZ-CD1 4.47Å; F129-L439 HydrophobicContact CE2-CD2 4.25Å; F129-L439 HydrophobicContact CZ-CD2 4.32Å; F129-I442 HydrophobicContact CE2-CD1 4.42Å
130	T	89.1	Confident	75.9	Confident	101 Å²	101	80.8 Å²	80.8	62%	0.62	42%	0.419	S	S	*	.	H	α-helix	trans	-55	-41.7	174	-59.8	0	0	0	0	112.3	D127 Q133	D127-T130 PolarHBondContact O-N 3.06Å; D127-T130 VanDerWaalsContact OD2-CB 3.27Å; D127-T130 WeakPolarHBondContact OD2-CB 3.41Å; D127-T130 PolarHBondContact OD2-N 3.37Å; D127-T130 PolarHBondContact OD2-OG1 3.14Å; T130-Q133 WeakPolarHBondContact O-CB 3.35Å; T130-Q133 PolarHBondContact O-N 2.81Å
131	L	90.5	Very high	78.2	Confident	19 Å²	19	76.8 Å²	76.8	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-68.6	-35.1	-178.4	-171.2	60.9	0	0	0	112.8	D127 P128 F129 L176 R179 P431 E432 A435	D127-L131 PolarHBondContact O-N 3.22Å; P128-L131 PolarHBondContact O-N 2.75Å; F129-L131 VanDerWaalsContact C-N 3.29Å; F129-L131 PolarHBondContact O-N 2.83Å; L131-L176 HydrophobicContact CB-CD2 4.23Å; L131-L176 HydrophobicContact CD2-CD2 3.89Å; L131-L176 HydrophobicContact CG-CD2 3.97Å; L131-R179 PolarHBondContact O-NH1 3.23Å; L131-P431 HydrophobicContact CD2-CB 4.1Å; L131-E432 HydrophobicContact CD2-CB 4.48Å; L131-E432 HydrophobicContact CD2-CG 3.93Å; L131-A435 HydrophobicContact CD2-CB 3.84Å
132	A	89.7	Confident	80.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-87.6	-11.8	175.8	0	0	0	0	0	114	P128 F129 K134 D135 L136 I172 I175 L176	P128-A132 PolarHBondContact O-N 3.34Å; P128-A132 VanDerWaalsContact O-N 3.14Å; F129-A132 CarbonylContact O-C 3.54Å; F129-A132 PolarHBondContact O-N 2.86Å; A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 3.04Å; A132-D135 PolarHBondContact O-N 3.3Å; A132-L136 HydrophobicContact CB-CD1 4.09Å; A132-L136 HydrophobicContact CB-CG 4.25Å; A132-L136 PolarHBondContact O-N 2.97Å; A132-I172 HydrophobicContact CB-CG1 4.37Å; A132-I172 HydrophobicContact CB-CG2 4.17Å; A132-I175 HydrophobicContact CB-CG2 4.21Å; A132-L176 HydrophobicContact CB-CD2 4.25Å; A132-L176 HydrophobicContact CB-CG 4.28Å
133	Q	87.6	Confident	83	Confident	97 Å²	97	65.4 Å²	65.4	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-54	-42.8	-169.2	-173.8	60.8	41.2	0	0	113.7	F129 T130 D135 L136 T137	F129-Q133 WeakPolarHBondContact O-CA 3.3Å; F129-Q133 WeakPolarHBondContact O-CB 3.14Å; F129-Q133 PolarHBondContact O-N 3.15Å; T130-Q133 WeakPolarHBondContact O-CB 3.35Å; T130-Q133 PolarHBondContact O-N 2.81Å; Q133-D135 VanDerWaalsContact C-N 3.26Å; Q133-D135 PolarHBondContact O-N 2.94Å; Q133-L136 PolarHBondContact O-N 2.78Å; Q133-T137 PolarHBondContact NE2-OG1 3.03Å; Q133-T137 WeakPolarHBondContact O-CB 3.43Å; Q133-T137 PolarHBondContact O-N 3.31Å; Q133-T137 PolarHBondContact O-OG1 3.2Å
134	K	87.9	Confident	84.7	Confident	159 Å²	159	64.4 Å²	64.4	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-55.6	-43	177.4	180	-169.9	171.9	-166.5	0	111.6	A132	A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 3.04Å
135	D	89.1	Confident	86.3	Confident	19 Å²	19	61.5 Å²	61.5	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-79.1	-34.5	-177.4	-58.8	-57.9	0	0	0	111.6	A132 Q133 I175 R179 L191 R196	A132-D135 PolarHBondContact O-N 3.3Å; Q133-D135 VanDerWaalsContact C-N 3.26Å; Q133-D135 PolarHBondContact O-N 2.94Å; D135-I175 HydrophobicContact CB-CD1 4.03Å; D135-I175 HydrophobicContact CB-CG2 3.76Å; D135-R179 WeakPolarHBondContact OD2-CD 3.31Å; D135-R179 IonicContact OD2-CZ 3.74Å; D135-R179 IonicContact OD2-NE 2.65Å; D135-R179 IonicContact OD2-NH1 3.78Å; D135-R179 PolarHBondContact OD2-NH1 2.96Å; D135-L191 HydrophobicContact CB-CD2 4.08Å; D135-R196 PolarHBondContact O-NH1 3.49Å; D135-R196 PolarHBondContact O-NH2 3.35Å
136	L	86.8	Confident	87.5	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-70.7	-35.5	177.2	-69.1	173.1	0	0	0	114	A132 Q133 S138 L139 A168 P171 I172 I175	A132-L136 HydrophobicContact CB-CD1 4.09Å; A132-L136 HydrophobicContact CB-CG 4.25Å; A132-L136 PolarHBondContact O-N 2.97Å; Q133-L136 PolarHBondContact O-N 2.78Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 3.31Å; L136-S138 VanDerWaalsContact O-N 3.14Å; L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.19Å; L136-A168 HydrophobicContact CD2-CB 4.41Å; L136-P171 HydrophobicContact CD2-CB 3.83Å; L136-I172 HydrophobicContact CD1-CD1 3.83Å; L136-I172 HydrophobicContact CD1-CG1 3.42Å; L136-I172 VanDerWaalsContact CD1-CG1 3.42Å; L136-I172 HydrophobicContact CD2-CG1 3.94Å; L136-I172 HydrophobicContact CG-CG1 4.17Å; L136-I175 HydrophobicContact CD2-CD1 3.69Å; L136-I175 HydrophobicContact CG-CD1 4.25Å
137	T	86	Confident	87.9	Confident	94 Å²	94	51.4 Å²	51.4	58%	0.577	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-38.4	-164.6	-63.2	0	0	0	0	113.3	Q133	Q133-T137 PolarHBondContact NE2-OG1 3.03Å; Q133-T137 WeakPolarHBondContact O-CB 3.43Å; Q133-T137 PolarHBondContact O-N 3.31Å; Q133-T137 PolarHBondContact O-OG1 3.2Å
138	S	87.8	Confident	87.3	Confident	47 Å²	47	55.5 Å²	55.5	33%	0.329	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.2	174.7	72.8	0	0	0	0	114.6	L136 Y140 D141 D142 R196	L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 3.31Å; L136-S138 VanDerWaalsContact O-N 3.14Å; S138-Y140 PolarHBondContact O-N 3.31Å; S138-D141 PolarHBondContact O-N 3.45Å; S138-D142 WeakPolarHBondContact O-CB 3.49Å; S138-D142 PolarHBondContact O-N 3Å; S138-D142 PolarHBondContact OG-OD2 3.47Å; S138-R196 PolarHBondContact OG-NH2 2.96Å
139	L	89	Confident	86.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-48.4	-172	-172.7	80.3	0	0	0	112.1	L136 D141 D142 I143 P171 A199 M200	L136-L139 HydrophobicContact CD2-CD2 4.25Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.19Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 2.97Å; L139-D142 PolarHBondContact O-N 3.25Å; L139-I143 HydrophobicContact CG-CD1 4.28Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.01Å; L139-P171 HydrophobicContact CD2-CB 3.6Å; L139-P171 HydrophobicContact CD2-CG 3.92Å; L139-A199 HydrophobicContact CD1-CB 4.4Å; L139-M200 HydrophobicContact CD1-CG 3.49Å; L139-M200 VanDerWaalsContact CD1-CG 3.49Å; L139-M200 HydrophobicContact CG-CG 4.31Å
140	Y	86.7	Confident	85	Confident	25 Å²	25	58.3 Å²	58.3	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-31.9	179.8	-71.3	-72.5	0	0	0	112.5	S138 I143 K144 F162 E203	S138-Y140 PolarHBondContact O-N 3.31Å; Y140-I143 HydrophobicContact CD1-CD1 4.38Å; Y140-I143 PolarHBondContact O-N 3.49Å; Y140-K144 VanDerWaalsContact O-CG 3.3Å; Y140-K144 WeakPolarHBondContact O-CG 3.25Å; Y140-K144 PolarHBondContact O-N 3.04Å; Y140-F162 HydrophobicContact CD1-CB 4.19Å; Y140-F162 HydrophobicContact CD1-CD1 4.02Å; Y140-F162 HydrophobicContact CE1-CD1 4.24Å; Y140-E203 HydrophobicContact CE1-CG 3.81Å; Y140-E203 WeakPolarHBondContact CE1-OE1 3.38Å; Y140-E203 PolarHBondContact OH-OE1 2.9Å
141	D	87.1	Confident	84.2	Confident	82 Å²	82	59.3 Å²	59.3	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-76	-31.2	175.3	-66.5	-24.5	0	0	0	112.2	S138 L139 K144 K145	S138-D141 PolarHBondContact O-N 3.45Å; L139-D141 VanDerWaalsContact C-N 3.32Å; L139-D141 PolarHBondContact O-N 2.97Å; D141-K144 PolarHBondContact O-N 3.4Å; D141-K144 IonicContact OD1-NZ 2.87Å; D141-K144 PolarHBondContact OD1-NZ 3.09Å; D141-K145 WeakPolarHBondContact O-CE 3.4Å; D141-K145 VanDerWaalsContact O-CG 3.3Å; D141-K145 WeakPolarHBondContact O-CG 3.28Å; D141-K145 PolarHBondContact O-N 2.87Å; D141-K145 VanDerWaalsContact O-N 3.09Å
142	D	89.8	Confident	83.5	Confident	31 Å²	31	62.6 Å²	62.6	17%	0.166	32%	0.324	C	S	.	.	H	α-helix	trans	-69.2	-37.1	170.7	-63.9	-29.9	0	0	0	111.3	S138 L139 K145 E146 R196 M200	S138-D142 WeakPolarHBondContact O-CB 3.49Å; S138-D142 PolarHBondContact O-N 3Å; S138-D142 PolarHBondContact OG-OD2 3.47Å; L139-D142 PolarHBondContact O-N 3.25Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.4Å; D142-K145 IonicContact OD1-NZ 2.69Å; D142-K145 PolarHBondContact OD1-NZ 3.1Å; D142-E146 PolarHBondContact O-N 2.86Å; D142-R196 IonicContact OD2-CZ 3.2Å; D142-R196 IonicContact OD2-NE 3.12Å; D142-R196 PolarHBondContact OD2-NE 3.24Å; D142-R196 IonicContact OD2-NH2 2.71Å; D142-R196 PolarHBondContact OD2-NH2 3.23Å; D142-M200 HydrophobicContact CB-CE 4.29Å; D142-M200 HydrophobicContact CB-SD 4.17Å
143	I	90	Very high	82.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-43.5	170.1	-69.9	165.2	0	0	0	111.2	L139 Y140 K145 E146 L147 F162 M200 E203 M204	L139-I143 HydrophobicContact CG-CD1 4.28Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.01Å; Y140-I143 HydrophobicContact CD1-CD1 4.38Å; Y140-I143 PolarHBondContact O-N 3.49Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 3.36Å; I143-E146 WeakPolarHBondContact O-CB 3.38Å; I143-E146 PolarHBondContact O-N 3.34Å; I143-E146 VanDerWaalsContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.63Å; I143-L147 HydrophobicContact CG2-CG 4.34Å; I143-L147 WeakPolarHBondContact O-CG 3.2Å; I143-L147 PolarHBondContact O-N 2.89Å; I143-F162 HydrophobicContact CD1-CD1 4.46Å; I143-F162 HydrophobicContact CD1-CE1 4.46Å; I143-F162 HydrophobicContact CG2-CD1 3.8Å; I143-F162 HydrophobicContact CG2-CD2 4.1Å; I143-F162 HydrophobicContact CG2-CE1 3.75Å; I143-F162 HydrophobicContact CG2-CE2 4.11Å; I143-F162 HydrophobicContact CG2-CG 3.98Å; I143-F162 HydrophobicContact CG2-CZ 3.91Å; I143-M200 HydrophobicContact CD1-CB 4.44Å; I143-M200 HydrophobicContact CG1-CB 3.9Å; I143-M200 HydrophobicContact CG1-CG 4Å; I143-E203 HydrophobicContact CD1-CB 4Å; I143-E203 HydrophobicContact CD1-CG 4.21Å; I143-M204 HydrophobicContact CG1-CG 4.28Å; I143-M204 HydrophobicContact CG2-CG 3.79Å; I143-M204 HydrophobicContact CG2-SD 4.34Å
144	K	87.1	Confident	82.2	Confident	60 Å²	60	63.3 Å²	63.3	26%	0.261	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-30.6	175.7	-68.3	168.2	-159.7	154	0	113.1	Y140 D141 L147 F148 F162	Y140-K144 VanDerWaalsContact O-CG 3.3Å; Y140-K144 WeakPolarHBondContact O-CG 3.25Å; Y140-K144 PolarHBondContact O-N 3.04Å; D141-K144 PolarHBondContact O-N 3.4Å; D141-K144 IonicContact OD1-NZ 2.87Å; D141-K144 PolarHBondContact OD1-NZ 3.09Å; K144-L147 CarbonylContact O-C 3.51Å; K144-F148 PolarHBondContact O-N 2.81Å; K144-F162 WeakPolarHBondContact CE-O 3.39Å; K144-F162 PolarHBondContact NZ-O 3.34Å
145	K	88	Confident	81.8	Confident	132 Å²	132	59.2 Å²	59.2	57%	0.574	31%	0.31	S	S	*	.	H	α-helix	trans	-70.4	-38.6	172.3	-66.8	164.3	-153	162.8	0	111.6	D141 D142 I143 L147 F148	D141-K145 WeakPolarHBondContact O-CE 3.4Å; D141-K145 VanDerWaalsContact O-CG 3.3Å; D141-K145 WeakPolarHBondContact O-CG 3.28Å; D141-K145 PolarHBondContact O-N 2.87Å; D141-K145 VanDerWaalsContact O-N 3.09Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.4Å; D142-K145 IonicContact OD1-NZ 2.69Å; D142-K145 PolarHBondContact OD1-NZ 3.1Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 3.36Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-F148 WeakPolarHBondContact O-CB 3.41Å; K145-F148 PolarHBondContact O-N 2.88Å
146	E	86.4	Confident	81.3	Confident	59 Å²	59	65.7 Å²	65.7	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-33	174	-73.4	-69.3	-168.4	0	0	112.8	D142 I143 F148 M200 M204 R254	D142-E146 PolarHBondContact O-N 2.86Å; I143-E146 WeakPolarHBondContact O-CB 3.38Å; I143-E146 PolarHBondContact O-N 3.34Å; I143-E146 VanDerWaalsContact O-N 3.13Å; E146-F148 PolarHBondContact O-N 3.03Å; E146-M200 HydrophobicContact CG-CE 3.48Å; E146-M200 VanDerWaalsContact CG-CE 3.48Å; E146-M204 HydrophobicContact CB-CE 4.42Å; E146-R254 IonicContact OE1-CZ 2.81Å; E146-R254 IonicContact OE1-NH2 3.85Å; E146-R254 PolarHBondContact OE1-NH2 3.36Å; E146-R254 IonicContact OE2-CZ 2.9Å; E146-R254 IonicContact OE2-NH1 2.7Å; E146-R254 IonicContact OE2-NH2 3.12Å; E146-R254 PolarHBondContact OE2-NH2 3.45Å
147	L	84.2	Confident	80.8	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	18.8	174.1	-64.5	167.6	0	0	0	113.1	I143 K144 K145 V149 C158 F162 M204 F243 I244 A247	I143-L147 HydrophobicContact CG2-CD1 3.63Å; I143-L147 HydrophobicContact CG2-CG 4.34Å; I143-L147 WeakPolarHBondContact O-CG 3.2Å; I143-L147 PolarHBondContact O-N 2.89Å; K144-L147 CarbonylContact O-C 3.51Å; K145-L147 VanDerWaalsContact C-N 3.32Å; L147-V149 VanDerWaalsContact O-CG2 3.23Å; L147-V149 WeakPolarHBondContact O-CG2 3.38Å; L147-V149 PolarHBondContact O-N 3.49Å; L147-V149 VanDerWaalsContact O-N 3.07Å; L147-C158 HydrophobicContact CB-CB 4.49Å; L147-C158 HydrophobicContact CD1-CB 4.28Å; L147-F162 HydrophobicContact CD1-CD2 3.59Å; L147-F162 HydrophobicContact CD1-CE2 3.25Å; L147-F162 HydrophobicContact CD1-CZ 4.02Å; L147-M204 HydrophobicContact CD2-CE 3.79Å; L147-M204 HydrophobicContact CG-CE 4.09Å; L147-F243 HydrophobicContact CB-CE1 4.43Å; L147-F243 HydrophobicContact CD2-CD1 4.13Å; L147-F243 HydrophobicContact CD2-CE1 3.88Å; L147-I244 HydrophobicContact CD1-CG1 4.47Å; L147-I244 HydrophobicContact CD2-CB 4.24Å; L147-I244 HydrophobicContact CD2-CG1 3.86Å; L147-I244 HydrophobicContact CD2-CG2 4.37Å; L147-A247 HydrophobicContact CD2-CB 3.83Å
148	F	75.1	Confident	80.3	Confident	155 Å²	155	60.9 Å²	60.9	68%	0.68	31%	0.305	S	S	*	.			trans	-64.5	112.3	-179.1	-179.6	-95.1	0	0	0	111.5	K144 K145 E146	K144-F148 PolarHBondContact O-N 2.81Å; K145-F148 WeakPolarHBondContact O-CB 3.41Å; K145-F148 PolarHBondContact O-N 2.88Å; E146-F148 PolarHBondContact O-N 3.03Å
149	V	66.9	Low	79.9	Confident	25 Å²	25	60.1 Å²	60.1	15%	0.152	30%	0.298	C	S	.	.			trans	-114.3	135.4	175.7	-154.2	0	0	0	0	110.2	L147 K151 L154 F243	L147-V149 VanDerWaalsContact O-CG2 3.23Å; L147-V149 WeakPolarHBondContact O-CG2 3.38Å; L147-V149 PolarHBondContact O-N 3.49Å; L147-V149 VanDerWaalsContact O-N 3.07Å; V149-K151 HydrophobicContact CG1-CB 4.16Å; V149-K151 PolarHBondContact O-N 3.02Å; V149-L154 HydrophobicContact CB-CB 4.49Å; V149-L154 HydrophobicContact CG1-CB 4.24Å; V149-L154 HydrophobicContact CG1-CD2 3.96Å; V149-L154 HydrophobicContact CG1-CG 4.44Å; V149-L154 HydrophobicContact CG2-CB 4.26Å; V149-L154 HydrophobicContact CG2-CD2 4.17Å; V149-L154 HydrophobicContact CG2-CG 4.06Å; V149-F243 HydrophobicContact CG2-CD1 4.33Å; V149-F243 HydrophobicContact CG2-CE1 3.51Å; V149-F243 HydrophobicContact CG2-CE2 4.26Å; V149-F243 HydrophobicContact CG2-CZ 3.48Å; V149-F243 VanDerWaalsContact CG2-CZ 3.48Å
150	A	60.2	Low	79.3	Confident	101 Å²	101	62.5 Å²	62.5	84%	0.835	31%	0.307	S	S	*	.	S	Bend	trans	-63.2	-22	168.8	0	0	0	0	0	113.3
151	K	73	Confident	78.7	Confident	121 Å²	121	61.7 Å²	61.7	53%	0.526	30%	0.303	S	S	.	.	S	Bend	trans	-92.7	108.8	177.9	-169	-175	178.3	-162	0	110.9	V149 E153 L154 K155	V149-K151 HydrophobicContact CG1-CB 4.16Å; V149-K151 PolarHBondContact O-N 3.02Å; K151-E153 VanDerWaalsContact C-N 3.27Å; K151-E153 WeakPolarHBondContact CE-OE2 3.45Å; K151-E153 HydrophobicContact CG-CB 4.44Å; K151-E153 IonicContact NZ-OE2 2.64Å; K151-E153 PolarHBondContact NZ-OE2 3.42Å; K151-E153 PolarHBondContact O-N 3.34Å; K151-E153 VanDerWaalsContact O-N 3.17Å; K151-L154 PolarHBondContact O-N 3.38Å; K151-L154 VanDerWaalsContact O-N 3.08Å; K151-K155 PolarHBondContact O-N 3.09Å
152	T	75	Confident	78.2	Confident	88 Å²	88	57.8 Å²	57.8	54%	0.54	28%	0.283	S	S	.	.	H	α-helix	trans	-54.3	-37.1	-176	-27.7	0	0	0	0	114.1	L154 K155 Y156	T152-L154 PolarHBondContact O-N 2.9Å; T152-K155 WeakPolarHBondContact O-CB 3.21Å; T152-K155 PolarHBondContact O-N 3.29Å; T152-Y156 HydrophobicContact CG2-CD2 4.2Å; T152-Y156 HydrophobicContact CG2-CE2 3.69Å; T152-Y156 WeakPolarHBondContact O-CD2 3.46Å; T152-Y156 PolarHBondContact O-N 2.76Å; T152-Y156 VanDerWaalsContact O-N 3.13Å
153	E	75.6	Confident	77.2	Confident	77 Å²	77	58.9 Å²	58.9	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-43.6	178.2	-175.1	-178.2	-154	0	0	112.5	K151 Y156 L157 K236	K151-E153 VanDerWaalsContact C-N 3.27Å; K151-E153 WeakPolarHBondContact CE-OE2 3.45Å; K151-E153 HydrophobicContact CG-CB 4.44Å; K151-E153 IonicContact NZ-OE2 2.64Å; K151-E153 PolarHBondContact NZ-OE2 3.42Å; K151-E153 PolarHBondContact O-N 3.34Å; K151-E153 VanDerWaalsContact O-N 3.17Å; E153-Y156 PolarHBondContact O-N 2.93Å; E153-L157 WeakPolarHBondContact O-CG 3.3Å; E153-L157 PolarHBondContact O-N 2.69Å; E153-K236 WeakPolarHBondContact OE1-CE 3.49Å; E153-K236 IonicContact OE1-NZ 2.69Å; E153-K236 PolarHBondContact OE1-NZ 3.22Å
154	L	74.8	Confident	75.9	Confident	35 Å²	35	60.7 Å²	60.7	18%	0.183	31%	0.307	C	S	.	.	H	α-helix	trans	-72	-35	179.8	-172.9	56.1	0	0	0	111.1	V149 K151 T152 Y156 L157 C158 A240 F243	V149-L154 HydrophobicContact CB-CB 4.49Å; V149-L154 HydrophobicContact CG1-CB 4.24Å; V149-L154 HydrophobicContact CG1-CD2 3.96Å; V149-L154 HydrophobicContact CG1-CG 4.44Å; V149-L154 HydrophobicContact CG2-CB 4.26Å; V149-L154 HydrophobicContact CG2-CD2 4.17Å; V149-L154 HydrophobicContact CG2-CG 4.06Å; K151-L154 PolarHBondContact O-N 3.38Å; K151-L154 VanDerWaalsContact O-N 3.08Å; T152-L154 PolarHBondContact O-N 2.9Å; L154-Y156 PolarHBondContact O-N 3.49Å; L154-L157 HydrophobicContact CD1-CD1 4.46Å; L154-L157 PolarHBondContact O-N 3.36Å; L154-C158 PolarHBondContact O-N 3.45Å; L154-C158 PolarHBondContact O-SG 2.62Å; L154-A240 HydrophobicContact CD1-CB 4.48Å; L154-F243 HydrophobicContact CD1-CB 4.26Å; L154-F243 HydrophobicContact CD1-CG 4.46Å; L154-F243 HydrophobicContact CD2-CB 4.11Å; L154-F243 HydrophobicContact CD2-CD1 4.15Å; L154-F243 HydrophobicContact CD2-CD2 3.71Å; L154-F243 HydrophobicContact CD2-CE2 4.21Å; L154-F243 HydrophobicContact CD2-CG 3.68Å; L154-F243 HydrophobicContact CG-CD1 4.29Å; L154-F243 HydrophobicContact CG-CG 4.22Å
155	K	78.2	Confident	74.8	Confident	73 Å²	73	66.9 Å²	66.9	32%	0.317	33%	0.329	S	S	.	.	H	α-helix	trans	-57.5	-48	174	-171.6	-174	-175.8	-61	0	111.9	K151 T152 L157 C158 D159	K151-K155 PolarHBondContact O-N 3.09Å; T152-K155 WeakPolarHBondContact O-CB 3.21Å; T152-K155 PolarHBondContact O-N 3.29Å; K155-L157 PolarHBondContact O-N 2.96Å; K155-C158 PolarHBondContact O-N 3.3Å; K155-D159 IonicContact NZ-OD1 3.98Å; K155-D159 IonicContact NZ-OD2 2.6Å; K155-D159 PolarHBondContact NZ-OD2 3.16Å; K155-D159 WeakPolarHBondContact O-CB 3.36Å; K155-D159 VanDerWaalsContact O-CG 3.28Å; K155-D159 PolarHBondContact O-N 3Å
156	Y	78.8	Confident	73.7	Confident	155 Å²	155	61.8 Å²	61.8	61%	0.608	31%	0.313	S	S	*	.	H	α-helix	trans	-61.8	-40.7	178.8	-77.5	-61.9	0	0	0	113.2	T152 E153 L154 Y160	T152-Y156 HydrophobicContact CG2-CD2 4.2Å; T152-Y156 HydrophobicContact CG2-CE2 3.69Å; T152-Y156 WeakPolarHBondContact O-CD2 3.46Å; T152-Y156 PolarHBondContact O-N 2.76Å; T152-Y156 VanDerWaalsContact O-N 3.13Å; E153-Y156 PolarHBondContact O-N 2.93Å; L154-Y156 PolarHBondContact O-N 3.49Å; Y156-Y160 PolarHBondContact O-N 3.47Å
157	L	77.8	Confident	72.9	Confident	9 Å²	9	64.1 Å²	64.1	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-44.8	176.3	-68	165.9	0	0	0	111.4	E153 L154 K155 Y160 I228 W232 K236 A240	E153-L157 WeakPolarHBondContact O-CG 3.3Å; E153-L157 PolarHBondContact O-N 2.69Å; L154-L157 HydrophobicContact CD1-CD1 4.46Å; L154-L157 PolarHBondContact O-N 3.36Å; K155-L157 PolarHBondContact O-N 2.96Å; L157-Y160 WeakPolarHBondContact O-CB 3.13Å; L157-I228 HydrophobicContact CD2-CG2 3.75Å; L157-W232 HydrophobicContact CD2-CB 3.74Å; L157-W232 HydrophobicContact CD2-CD2 3.52Å; L157-W232 HydrophobicContact CD2-CE3 3.7Å; L157-W232 HydrophobicContact CD2-CG 3.56Å; L157-K236 HydrophobicContact CD1-CB 4.02Å; L157-K236 HydrophobicContact CD2-CB 4.45Å; L157-A240 HydrophobicContact CB-CB 3.89Å
158	C	75.1	Confident	72.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-68.7	-45.6	-178.8	-62.4	0	0	0	0	111.8	L147 L154 K155 Y160 F162 F243 I244	L147-C158 HydrophobicContact CB-CB 4.49Å; L147-C158 HydrophobicContact CD1-CB 4.28Å; L154-C158 PolarHBondContact O-N 3.45Å; L154-C158 PolarHBondContact O-SG 2.62Å; K155-C158 PolarHBondContact O-N 3.3Å; C158-Y160 PolarHBondContact O-N 2.89Å; C158-F162 WeakPolarHBondContact O-CD2 3.38Å; C158-F162 WeakPolarHBondContact O-CE2 3.32Å; C158-F243 VanDerWaalsContact SG-CD1 3.54Å; C158-I244 HydrophobicContact CB-CG1 4.37Å
159	D	78.2	Confident	73.2	Confident	32 Å²	32	58.7 Å²	58.7	17%	0.171	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-23.7	-179	-73.7	-13.5	0	0	0	113.4	K155 Y161 F162	K155-D159 IonicContact NZ-OD1 3.98Å; K155-D159 IonicContact NZ-OD2 2.6Å; K155-D159 PolarHBondContact NZ-OD2 3.16Å; K155-D159 WeakPolarHBondContact O-CB 3.36Å; K155-D159 VanDerWaalsContact O-CG 3.28Å; K155-D159 PolarHBondContact O-N 3Å; D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 2.83Å; D159-Y161 VanDerWaalsContact O-N 3.11Å; D159-F162 PolarHBondContact O-N 3.48Å
160	Y	77.3	Confident	74.4	Confident	51 Å²	51	59.8 Å²	59.8	20%	0.2	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.5	-167.7	-168.4	-106.8	0	0	0	114.6	Y156 L157 C158 K225 K226 I228 W232	Y156-Y160 PolarHBondContact O-N 3.47Å; L157-Y160 WeakPolarHBondContact O-CB 3.13Å; C158-Y160 PolarHBondContact O-N 2.89Å; Y160-K225 HydrophobicContact CE1-CB 4.33Å; Y160-K225 HydrophobicContact CE1-CD 3.75Å; Y160-K225 HydrophobicContact CE2-CD 4.28Å; Y160-K225 PolarHBondContact O-NZ 2.95Å; Y160-K225 WeakPolarHBondContact OH-CB 3.45Å; Y160-K226 WeakPolarHBondContact CE1-O 3.38Å; Y160-K226 PolarHBondContact OH-O 3.28Å; Y160-K226 VanDerWaalsContact OH-O 3.13Å; Y160-I228 HydrophobicContact CD1-CD1 4.2Å; Y160-I228 HydrophobicContact CD1-CG1 3.8Å; Y160-I228 HydrophobicContact CE1-CG1 4.39Å; Y160-I228 HydrophobicContact CG-CG1 4.46Å; Y160-W232 HydrophobicContact CD1-CZ3 4.27Å; Y160-W232 AromaticContact CD2-CH2 3.53Å; Y160-W232 HydrophobicContact CD2-CH2 3.53Å; Y160-W232 AromaticContact CD2-CZ3 3.81Å; Y160-W232 HydrophobicContact CD2-CZ3 3.81Å; Y160-W232 HydrophobicContact CE1-CZ3 4.36Å; Y160-W232 AromaticContact CE2-CH2 3.62Å; Y160-W232 HydrophobicContact CE2-CH2 3.62Å; Y160-W232 AromaticContact CE2-CZ3 3.89Å; Y160-W232 HydrophobicContact CE2-CZ3 3.89Å; Y160-W232 HydrophobicContact CG-CH2 4.15Å; Y160-W232 AromaticContact CG-CZ3 3.98Å; Y160-W232 HydrophobicContact CG-CZ3 3.98Å
161	Y	73.8	Confident	75.9	Confident	7 Å²	7	55 Å²	55	3%	0.027	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.3	179.4	-68.5	-38.8	0	0	0	114.4	D159 T207 V211 D214 R222 I228	D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 2.83Å; D159-Y161 VanDerWaalsContact O-N 3.11Å; Y161-T207 HydrophobicContact CD2-CG2 4.19Å; Y161-T207 HydrophobicContact CG-CG2 4.43Å; Y161-V211 HydrophobicContact CD2-CG2 3.58Å; Y161-V211 HydrophobicContact CE2-CG2 3.69Å; Y161-D214 PolarHBondContact OH-OD2 3.38Å; Y161-R222 HydrophobicContact CE1-CB 4.23Å; Y161-R222 HydrophobicContact CE1-CG 4.13Å; Y161-R222 WeakPolarHBondContact OH-CB 3.36Å; Y161-I228 HydrophobicContact CD2-CD1 3.83Å; Y161-I228 HydrophobicContact CD2-CG1 4.41Å; Y161-I228 HydrophobicContact CE2-CD1 3.6Å; Y161-I228 HydrophobicContact CE2-CG1 3.74Å
162	F	77.6	Confident	76.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.			trans	-99.4	39.7	175.9	-59.9	-68.2	0	0	0	112.7	Y140 I143 K144 L147 C158 D159 G164 E203 M204 T207 I244	Y140-F162 HydrophobicContact CD1-CB 4.19Å; Y140-F162 HydrophobicContact CD1-CD1 4.02Å; Y140-F162 HydrophobicContact CE1-CD1 4.24Å; I143-F162 HydrophobicContact CD1-CD1 4.46Å; I143-F162 HydrophobicContact CD1-CE1 4.46Å; I143-F162 HydrophobicContact CG2-CD1 3.8Å; I143-F162 HydrophobicContact CG2-CD2 4.1Å; I143-F162 HydrophobicContact CG2-CE1 3.75Å; I143-F162 HydrophobicContact CG2-CE2 4.11Å; I143-F162 HydrophobicContact CG2-CG 3.98Å; I143-F162 HydrophobicContact CG2-CZ 3.91Å; K144-F162 WeakPolarHBondContact CE-O 3.39Å; K144-F162 PolarHBondContact NZ-O 3.34Å; L147-F162 HydrophobicContact CD1-CD2 3.59Å; L147-F162 HydrophobicContact CD1-CE2 3.25Å; L147-F162 HydrophobicContact CD1-CZ 4.02Å; C158-F162 WeakPolarHBondContact O-CD2 3.38Å; C158-F162 WeakPolarHBondContact O-CE2 3.32Å; D159-F162 PolarHBondContact O-N 3.48Å; F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 3.11Å; F162-E203 HydrophobicContact CE1-CG 4.26Å; F162-M204 HydrophobicContact CZ-CG 4.38Å; F162-T207 HydrophobicContact CE1-CG2 3.95Å; F162-T207 VanDerWaalsContact CE1-OG1 3.23Å; F162-T207 WeakPolarHBondContact CE1-OG1 3.2Å; F162-T207 HydrophobicContact CE2-CG2 3.84Å; F162-T207 VanDerWaalsContact CZ-CB 3.43Å; F162-T207 HydrophobicContact CZ-CG2 3.51Å; F162-I244 HydrophobicContact CE2-CD1 4.09Å; F162-I244 HydrophobicContact CE2-CG1 4.41Å; F162-I244 HydrophobicContact CE2-CG2 4.49Å; F162-I244 HydrophobicContact CZ-CG2 4.16Å
163	D	68.1	Low	78	Confident	55 Å²	55	45.1 Å²	45.1	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	-87.5	6.1	179.3	72.3	0	0	0	0	114.5	R165 K225	D163-R165 VanDerWaalsContact C-N 3.26Å; D163-R165 PolarHBondContact O-N 3.05Å; D163-R165 WeakPolarHBondContact OD1-CB 3.49Å; D163-R165 PolarHBondContact OD1-N 2.71Å; D163-R165 VanDerWaalsContact OD1-N 3.15Å; D163-R165 IonicContact OD1-NE 2.73Å; D163-R165 IonicContact OD2-CZ 3.82Å; D163-R165 IonicContact OD2-NE 3.22Å; D163-R165 PolarHBondContact OD2-NE 3.08Å; D163-R165 IonicContact OD2-NH2 2.72Å; D163-R165 PolarHBondContact OD2-NH2 3.37Å; D163-K225 WeakPolarHBondContact OD2-CE 3.28Å; D163-K225 IonicContact OD2-NZ 3.41Å; D163-K225 PolarHBondContact OD2-NZ 2.96Å
164	G	61.9	Low	79	Confident	37 Å²	37	41.5 Å²	41.5	38%	0.381	20%	0.197	S	C	.	.	S	Bend	trans	73.8	3.9	176.7	0	0	0	0	0	115.6	F162 G166	F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 3.11Å; G164-G166 VanDerWaalsContact C-N 3.29Å; G164-G166 PolarHBondContact O-N 3.14Å
165	R	64.1	Low	80.1	Confident	191 Å²	191	39.8 Å²	39.8	72%	0.721	19%	0.188	S	C	*	.			trans	-80.1	0	-179	-70.7	-169.3	-80.3	-164.3	-20.9	115.4	D163	D163-R165 VanDerWaalsContact C-N 3.26Å; D163-R165 PolarHBondContact O-N 3.05Å; D163-R165 WeakPolarHBondContact OD1-CB 3.49Å; D163-R165 PolarHBondContact OD1-N 2.71Å; D163-R165 VanDerWaalsContact OD1-N 3.15Å; D163-R165 IonicContact OD1-NE 2.73Å; D163-R165 IonicContact OD2-CZ 3.82Å; D163-R165 IonicContact OD2-NE 3.22Å; D163-R165 PolarHBondContact OD2-NE 3.08Å; D163-R165 IonicContact OD2-NH2 2.72Å; D163-R165 PolarHBondContact OD2-NH2 3.37Å
166	G	64.8	Low	81	Confident	24 Å²	24	36.3 Å²	36.3	25%	0.247	17%	0.173	C	C	.	.	S	Bend	trans	-80.9	154.6	174.7	0	0	0	0	0	112.5	G164 A168	G164-G166 VanDerWaalsContact C-N 3.29Å; G164-G166 PolarHBondContact O-N 3.14Å; G166-A168 PolarHBondContact O-N 3.26Å
167	K	70.3	Confident	82	Confident	109 Å²	109	29 Å²	29	47%	0.474	14%	0.144	S	C	.	.			trans	-64.1	-2.2	175.6	-60.7	-176.3	-176.6	178.4	0	114.7	I169 K448	K167-I169 HydrophobicContact CB-CD1 4.07Å; K167-I169 HydrophobicContact CB-CG1 3.93Å; K167-I169 HydrophobicContact CD-CD1 4.33Å; K167-I169 PolarHBondContact O-N 3.37Å; K167-K448 PolarHBondContact NZ-O 2.64Å; K167-K448 PolarHBondContact NZ-OXT 3.27Å
168	A	80.1	Confident	83	Confident	16 Å²	16	28.5 Å²	28.5	13%	0.132	14%	0.142	C	C	.	.			trans	49.9	21.8	176.9	0	0	0	0	0	116.9	L136 G166 R170 P171 I172	L136-A168 HydrophobicContact CD2-CB 4.41Å; G166-A168 PolarHBondContact O-N 3.26Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 2.91Å; A168-P171 VanDerWaalsContact O-CD 3.25Å; A168-P171 WeakPolarHBondContact O-CD 3.46Å; A168-I172 HydrophobicContact CB-CD1 4.25Å; A168-I172 HydrophobicContact CB-CG1 4.46Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.42Å; A168-I172 PolarHBondContact O-N 3.44Å
169	I	86.7	Confident	84	Confident	26 Å²	26	30 Å²	30	13%	0.133	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-41.5	-172.1	-62.2	174.9	0	0	0	112.1	K167 I172 I173 F336	K167-I169 HydrophobicContact CB-CD1 4.07Å; K167-I169 HydrophobicContact CB-CG1 3.93Å; K167-I169 HydrophobicContact CD-CD1 4.33Å; K167-I169 PolarHBondContact O-N 3.37Å; I169-I172 PolarHBondContact O-N 2.89Å; I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.38Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.23Å; I169-F336 HydrophobicContact CD1-CE2 3.75Å; I169-F336 HydrophobicContact CD1-CZ 4.3Å; I169-F336 HydrophobicContact CG2-CE2 4.35Å
170	R	90.8	Very high	85	Confident	47 Å²	47	28.5 Å²	28.5	18%	0.177	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-59.2	175.7	-88	176.5	-80.7	-81.8	-4.8	111.8	A168 I172 I173 V174 H206 M304	A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 2.91Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.88Å; R170-I173 PolarHBondContact O-N 3.43Å; R170-V174 WeakPolarHBondContact O-CG2 3.41Å; R170-V174 PolarHBondContact O-N 3.02Å; R170-V174 VanDerWaalsContact O-N 3.15Å; R170-H206 PolarHBondContact NE-CD2 2.72Å; R170-H206 PolarHBondContact NH2-CD2 3.17Å; R170-H206 PolarHBondContact NH2-CE1 3.22Å; R170-H206 PolarHBondContact NH2-NE2 3.39Å; R170-M304 HydrophobicContact CG-CE 3.48Å; R170-M304 VanDerWaalsContact CG-CE 3.48Å; R170-M304 HydrophobicContact CG-CG 4Å
171	P	92.4	Very high	85.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-50.7	-44.5	172.4	-32.7	35.4	0	0	0	115	L136 L139 A168 I173 V174 I175 E203	L136-P171 HydrophobicContact CD2-CB 3.83Å; L139-P171 HydrophobicContact CD2-CB 3.6Å; L139-P171 HydrophobicContact CD2-CG 3.92Å; A168-P171 VanDerWaalsContact O-CD 3.25Å; A168-P171 WeakPolarHBondContact O-CD 3.46Å; P171-I173 PolarHBondContact O-N 3.18Å; P171-V174 PolarHBondContact O-N 3.32Å; P171-I175 WeakPolarHBondContact O-CB 3.47Å; P171-I175 WeakPolarHBondContact O-CD1 3.46Å; P171-I175 VanDerWaalsContact O-CG1 3.27Å; P171-I175 WeakPolarHBondContact O-CG1 3.33Å; P171-I175 PolarHBondContact O-N 3.01Å; P171-E203 WeakPolarHBondContact CD-OE2 3.44Å; P171-E203 HydrophobicContact CG-CB 4.06Å; P171-E203 HydrophobicContact CG-CG 4.24Å
172	I	94.6	Very high	87.1	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-48.1	-179.4	-68.4	167	0	0	0	111	F129 A132 L136 A168 I169 R170 V174 I175 L176 L439	F129-I172 HydrophobicContact CD1-CD1 3.28Å; F129-I172 HydrophobicContact CE1-CD1 3.44Å; F129-I172 VanDerWaalsContact CE1-CD1 3.44Å; F129-I172 HydrophobicContact CG-CD1 4.21Å; F129-I172 HydrophobicContact CZ-CD1 4.47Å; A132-I172 HydrophobicContact CB-CG1 4.37Å; A132-I172 HydrophobicContact CB-CG2 4.17Å; L136-I172 HydrophobicContact CD1-CD1 3.83Å; L136-I172 HydrophobicContact CD1-CG1 3.42Å; L136-I172 VanDerWaalsContact CD1-CG1 3.42Å; L136-I172 HydrophobicContact CD2-CG1 3.94Å; L136-I172 HydrophobicContact CG-CG1 4.17Å; A168-I172 HydrophobicContact CB-CD1 4.25Å; A168-I172 HydrophobicContact CB-CG1 4.46Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.42Å; A168-I172 PolarHBondContact O-N 3.44Å; I169-I172 PolarHBondContact O-N 2.89Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.88Å; I172-V174 VanDerWaalsContact C-N 3.32Å; I172-V174 PolarHBondContact O-N 3.45Å; I172-I175 PolarHBondContact O-N 3.01Å; I172-L176 HydrophobicContact CG2-CD1 3.67Å; I172-L176 HydrophobicContact CG2-CG 4.28Å; I172-L176 WeakPolarHBondContact O-CB 3.46Å; I172-L176 WeakPolarHBondContact O-CG 3.37Å; I172-L176 PolarHBondContact O-N 3.01Å; I172-L439 HydrophobicContact CG2-CD1 3.61Å; I172-L439 HydrophobicContact CG2-CD2 4.4Å
173	I	96.9	Very high	88	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-46.7	177.2	-77	168.2	0	0	0	110.8	I169 R170 P171 M177 M304 Y328 V332 L439	I169-I173 HydrophobicContact CG2-CD1 3.84Å; I169-I173 WeakPolarHBondContact O-CB 3.38Å; I169-I173 WeakPolarHBondContact O-CG1 3.37Å; I169-I173 PolarHBondContact O-N 3.23Å; R170-I173 PolarHBondContact O-N 3.43Å; P171-I173 PolarHBondContact O-N 3.18Å; I173-M177 WeakPolarHBondContact O-CB 3.48Å; I173-M177 PolarHBondContact O-N 3.06Å; I173-M304 HydrophobicContact CD1-CE 4.14Å; I173-M304 HydrophobicContact CD1-SD 4.15Å; I173-Y328 HydrophobicContact CG2-CE1 3.93Å; I173-V332 HydrophobicContact CD1-CG1 4.13Å; I173-L439 HydrophobicContact CG1-CD1 4.25Å
174	V	97.9	Very high	89.4	Confident	1 Å²	1	27 Å²	27	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-41.1	-178.6	178.1	0	0	0	0	111.8	R170 P171 I172 A178 I198 A199 V311	R170-V174 WeakPolarHBondContact O-CG2 3.41Å; R170-V174 PolarHBondContact O-N 3.02Å; R170-V174 VanDerWaalsContact O-N 3.15Å; P171-V174 PolarHBondContact O-N 3.32Å; I172-V174 VanDerWaalsContact C-N 3.32Å; I172-V174 PolarHBondContact O-N 3.45Å; V174-A178 WeakPolarHBondContact O-CB 3.42Å; V174-A178 PolarHBondContact O-N 3.45Å; V174-I198 HydrophobicContact CG1-CG2 4.09Å; V174-A199 HydrophobicContact CB-CB 4.33Å; V174-A199 HydrophobicContact CG1-CB 3.94Å; V174-V311 HydrophobicContact CG1-CG1 3.62Å
175	I	97.4	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-48.5	178.2	-72.8	165.2	0	0	0	111.4	A132 D135 L136 P171 I172 M177 A178 R179 L191 A199	A132-I175 HydrophobicContact CB-CG2 4.21Å; D135-I175 HydrophobicContact CB-CD1 4.03Å; D135-I175 HydrophobicContact CB-CG2 3.76Å; L136-I175 HydrophobicContact CD2-CD1 3.69Å; L136-I175 HydrophobicContact CG-CD1 4.25Å; P171-I175 WeakPolarHBondContact O-CB 3.47Å; P171-I175 WeakPolarHBondContact O-CD1 3.46Å; P171-I175 VanDerWaalsContact O-CG1 3.27Å; P171-I175 WeakPolarHBondContact O-CG1 3.33Å; P171-I175 PolarHBondContact O-N 3.01Å; I172-I175 PolarHBondContact O-N 3.01Å; I175-M177 VanDerWaalsContact C-N 3.35Å; I175-A178 WeakPolarHBondContact O-CB 3.37Å; I175-A178 PolarHBondContact O-N 2.8Å; I175-R179 WeakPolarHBondContact O-CG 3.42Å; I175-R179 PolarHBondContact O-N 3.42Å; I175-L191 HydrophobicContact CG1-CD2 4.29Å; I175-L191 HydrophobicContact CG2-CD2 4.48Å; I175-A199 HydrophobicContact CD1-CB 4.36Å; I175-A199 HydrophobicContact CG1-CB 3.88Å
176	L	97.6	Very high	92.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-38	179.2	-68.4	173.8	0	0	0	111.3	P128 L131 A132 I172 R179 A180 E432 A435 L436 L439	P128-L176 HydrophobicContact CB-CD1 3.98Å; L131-L176 HydrophobicContact CB-CD2 4.23Å; L131-L176 HydrophobicContact CD2-CD2 3.89Å; L131-L176 HydrophobicContact CG-CD2 3.97Å; A132-L176 HydrophobicContact CB-CD2 4.25Å; A132-L176 HydrophobicContact CB-CG 4.28Å; I172-L176 HydrophobicContact CG2-CD1 3.67Å; I172-L176 HydrophobicContact CG2-CG 4.28Å; I172-L176 WeakPolarHBondContact O-CB 3.46Å; I172-L176 WeakPolarHBondContact O-CG 3.37Å; I172-L176 PolarHBondContact O-N 3.01Å; L176-R179 PolarHBondContact O-N 2.96Å; L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.32Å; L176-A180 PolarHBondContact O-N 3.01Å; L176-E432 HydrophobicContact CD2-CB 4.46Å; L176-E432 HydrophobicContact CD2-CG 4.2Å; L176-A435 HydrophobicContact CD1-CB 3.95Å; L176-A435 HydrophobicContact CD2-CB 4.38Å; L176-L436 HydrophobicContact CB-CD1 4.35Å; L176-L436 HydrophobicContact CB-CD2 3.74Å; L176-L436 HydrophobicContact CB-CG 3.87Å; L176-L439 HydrophobicContact CD1-CD1 3.52Å
177	M	98.6	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-49	172	-179.2	63.5	72.6	0	0	111.2	I173 I175 R179 A180 M181 C308 V311 A325 Y328 I424 L436	I173-M177 WeakPolarHBondContact O-CB 3.48Å; I173-M177 PolarHBondContact O-N 3.06Å; I175-M177 VanDerWaalsContact C-N 3.35Å; M177-R179 PolarHBondContact O-N 3.39Å; M177-A180 PolarHBondContact O-N 3.32Å; M177-M181 HydrophobicContact CG-CG 4.43Å; M177-M181 WeakPolarHBondContact O-CB 3.46Å; M177-M181 WeakPolarHBondContact O-CG 3.5Å; M177-M181 PolarHBondContact O-N 3.46Å; M177-M181 HydrophobicContact SD-CE 3.38Å; M177-M181 WeakPolarHBondContact SD-CE 3.38Å; M177-M181 HydrophobicContact SD-CG 4.21Å; M177-C308 HydrophobicContact CE-CB 4.1Å; M177-C308 HydrophobicContact CG-CB 3.94Å; M177-V311 HydrophobicContact CB-CG2 4.16Å; M177-V311 HydrophobicContact CG-CG2 3.78Å; M177-A325 HydrophobicContact CE-CB 4.35Å; M177-A325 HydrophobicContact CG-CB 4.42Å; M177-A325 HydrophobicContact SD-CB 3.92Å; M177-Y328 HydrophobicContact CE-CD1 3.26Å; M177-Y328 HydrophobicContact CE-CE1 4.07Å; M177-Y328 HydrophobicContact CE-CG 3.69Å; M177-I424 HydrophobicContact CE-CD1 3.46Å; M177-I424 VanDerWaalsContact CE-CD1 3.46Å; M177-I424 HydrophobicContact SD-CD1 3.94Å; M177-L436 HydrophobicContact CB-CD1 4.41Å; M177-L436 HydrophobicContact CE-CD1 4.33Å
178	A	98.2	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-48.1	178.4	0	0	0	0	0	112.1	V174 I175 M181 N182 L191 Q195 V311	V174-A178 WeakPolarHBondContact O-CB 3.42Å; V174-A178 PolarHBondContact O-N 3.45Å; I175-A178 WeakPolarHBondContact O-CB 3.37Å; I175-A178 PolarHBondContact O-N 2.8Å; A178-M181 WeakPolarHBondContact O-CB 3.3Å; A178-M181 PolarHBondContact O-N 3.46Å; A178-N182 PolarHBondContact O-N 3.14Å; A178-N182 PolarHBondContact O-ND2 3.48Å; A178-N182 PolarHBondContact O-OD1 3.21Å; A178-N182 VanDerWaalsContact O-OD1 3.06Å; A178-L191 HydrophobicContact CB-CD1 3.43Å; A178-L191 VanDerWaalsContact CB-CD1 3.43Å; A178-Q195 HydrophobicContact CB-CB 3.81Å; A178-Q195 HydrophobicContact CB-CG 4.08Å; A178-V311 HydrophobicContact CB-CB 3.76Å; A178-V311 HydrophobicContact CB-CG1 4.08Å; A178-V311 HydrophobicContact CB-CG2 3.96Å
179	R	97.4	Very high	94.8	Very high	31 Å²	31	27.5 Å²	27.5	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-40.9	-179.8	-66.7	175.8	50.5	-178.9	-15.5	112.3	L131 D135 I175 L176 M177 M181 N182 I183 G189 L191 E432	L131-R179 PolarHBondContact O-NH1 3.23Å; D135-R179 WeakPolarHBondContact OD2-CD 3.31Å; D135-R179 IonicContact OD2-CZ 3.74Å; D135-R179 IonicContact OD2-NE 2.65Å; D135-R179 IonicContact OD2-NH1 3.78Å; D135-R179 PolarHBondContact OD2-NH1 2.96Å; I175-R179 WeakPolarHBondContact O-CG 3.42Å; I175-R179 PolarHBondContact O-N 3.42Å; L176-R179 PolarHBondContact O-N 2.96Å; M177-R179 PolarHBondContact O-N 3.39Å; R179-M181 VanDerWaalsContact C-N 3.33Å; R179-M181 PolarHBondContact O-N 2.97Å; R179-N182 WeakPolarHBondContact O-CB 3.44Å; R179-N182 PolarHBondContact O-N 2.89Å; R179-I183 WeakPolarHBondContact O-CG1 3.47Å; R179-I183 PolarHBondContact O-N 3.11Å; R179-G189 WeakPolarHBondContact CB-O 3.25Å; R179-G189 VanDerWaalsContact CG-O 3.23Å; R179-G189 WeakPolarHBondContact CG-O 3.27Å; R179-L191 HydrophobicContact CG-CB 4.31Å; R179-L191 HydrophobicContact CG-CD1 4.4Å; R179-E432 HydrophobicContact CB-CB 4.44Å; R179-E432 HydrophobicContact CB-CG 3.74Å; R179-E432 IonicContact CZ-OE1 2.68Å; R179-E432 IonicContact NE-OE1 3.29Å; R179-E432 IonicContact NH2-OE1 3.95Å; R179-E432 PolarHBondContact NH2-OE1 2.9Å
180	A	97.8	Very high	95.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-40.8	172.7	0	0	0	0	0	112	L176 M177 N182 I183 H184 E432 L436	L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.32Å; L176-A180 PolarHBondContact O-N 3.01Å; M177-A180 PolarHBondContact O-N 3.32Å; A180-N182 VanDerWaalsContact C-N 3.34Å; A180-N182 PolarHBondContact O-N 3.47Å; A180-I183 PolarHBondContact O-N 3.4Å; A180-H184 WeakPolarHBondContact O-CB 3.17Å; A180-H184 PolarHBondContact O-N 2.64Å; A180-E432 HydrophobicContact CB-CB 3.94Å; A180-L436 HydrophobicContact CB-CD1 4.32Å
181	M	98	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-37	174.5	-70.4	-67	160.3	0	0	112.5	M177 A178 R179 H184 S185 V315 V321 A325 L427	M177-M181 HydrophobicContact CG-CG 4.43Å; M177-M181 WeakPolarHBondContact O-CB 3.46Å; M177-M181 WeakPolarHBondContact O-CG 3.5Å; M177-M181 PolarHBondContact O-N 3.46Å; M177-M181 HydrophobicContact SD-CE 3.38Å; M177-M181 WeakPolarHBondContact SD-CE 3.38Å; M177-M181 HydrophobicContact SD-CG 4.21Å; A178-M181 WeakPolarHBondContact O-CB 3.3Å; A178-M181 PolarHBondContact O-N 3.46Å; R179-M181 VanDerWaalsContact C-N 3.33Å; R179-M181 PolarHBondContact O-N 2.97Å; M181-H184 PolarHBondContact O-N 2.83Å; M181-S185 VanDerWaalsContact O-CB 3.3Å; M181-S185 WeakPolarHBondContact O-CB 3.33Å; M181-S185 PolarHBondContact O-N 3.46Å; M181-S185 PolarHBondContact O-OG 2.87Å; M181-V315 HydrophobicContact CB-CG1 3.7Å; M181-V321 HydrophobicContact CE-CG1 4.14Å; M181-V321 HydrophobicContact SD-CG1 3.34Å; M181-V321 WeakPolarHBondContact SD-CG1 3.44Å; M181-A325 HydrophobicContact CE-CB 3.64Å; M181-L427 HydrophobicContact CE-CD1 3.56Å; M181-L427 HydrophobicContact CE-CD2 3.75Å; M181-L427 HydrophobicContact CE-CG 4.29Å; M181-L427 HydrophobicContact SD-CD2 4.28Å
182	N	97.4	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.3	-62.2	-11.2	0	0	0	110.7	A178 R179 A180 S185 R187 D190 Q195 V315	A178-N182 PolarHBondContact O-N 3.14Å; A178-N182 PolarHBondContact O-ND2 3.48Å; A178-N182 PolarHBondContact O-OD1 3.21Å; A178-N182 VanDerWaalsContact O-OD1 3.06Å; R179-N182 WeakPolarHBondContact O-CB 3.44Å; R179-N182 PolarHBondContact O-N 2.89Å; A180-N182 VanDerWaalsContact C-N 3.34Å; A180-N182 PolarHBondContact O-N 3.47Å; N182-S185 CarbonylContact O-C 3.58Å; N182-S185 PolarHBondContact O-N 3.42Å; N182-R187 HydrophobicContact CB-CB 4.33Å; N182-R187 WeakPolarHBondContact O-CA 3.32Å; N182-R187 WeakPolarHBondContact O-CB 3.39Å; N182-R187 PolarHBondContact O-N 3.42Å; N182-D190 PolarHBondContact ND2-O 2.86Å; N182-Q195 PolarHBondContact ND2-OE1 3.1Å; N182-Q195 PolarHBondContact OD1-NE2 3.07Å; N182-Q195 PolarHBondContact OD1-OE1 3.38Å; N182-V315 WeakPolarHBondContact OD1-CB 3.35Å; N182-V315 WeakPolarHBondContact OD1-CG1 3.27Å; N182-V315 VanDerWaalsContact OD1-CG2 3.3Å; N182-V315 WeakPolarHBondContact OD1-CG2 3.43Å
183	I	96.9	Very high	95.5	Very high	35 Å²	35	37.1 Å²	37.1	18%	0.179	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-40.4	176.3	-62.7	167.7	0	0	0	111.9	R179 A180 S185 N186 R428 E432	R179-I183 WeakPolarHBondContact O-CG1 3.47Å; R179-I183 PolarHBondContact O-N 3.11Å; A180-I183 PolarHBondContact O-N 3.4Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 2.64Å; I183-N186 PolarHBondContact O-N 3.47Å; I183-R428 PolarHBondContact O-NH1 2.78Å; I183-E432 WeakPolarHBondContact CD1-OE2 3.47Å
184	H	96.7	Very high	95.5	Very high	46 Å²	46	38 Å²	38	21%	0.213	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-39.5	175.3	-173.8	55.3	0	0	0	111.4	A180 M181 N186 R428	A180-H184 WeakPolarHBondContact O-CB 3.17Å; A180-H184 PolarHBondContact O-N 2.64Å; M181-H184 PolarHBondContact O-N 2.83Å; H184-N186 PolarHBondContact O-N 3.27Å; H184-R428 HydrophobicContact CB-CB 4.44Å; H184-R428 PolarHBondContact ND1-N 3.35Å
185	S	95.9	Very high	95.5	Very high	24 Å²	24	38 Å²	38	17%	0.168	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	24.8	177.6	-46.3	0	0	0	0	114.1	M181 N182 I183 R187 N316	M181-S185 VanDerWaalsContact O-CB 3.3Å; M181-S185 WeakPolarHBondContact O-CB 3.33Å; M181-S185 PolarHBondContact O-N 3.46Å; M181-S185 PolarHBondContact O-OG 2.87Å; N182-S185 CarbonylContact O-C 3.58Å; N182-S185 PolarHBondContact O-N 3.42Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 2.64Å; S185-R187 VanDerWaalsContact C-N 3.33Å; S185-R187 PolarHBondContact O-N 2.89Å; S185-N316 PolarHBondContact OG-ND2 3.21Å
186	N	94	Very high	95.5	Very high	128 Å²	128	40.1 Å²	40.1	68%	0.684	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.2	178.8	-58.9	-50.5	0	0	0	116.1	I183 H184 R428	I183-N186 PolarHBondContact O-N 3.47Å; H184-N186 PolarHBondContact O-N 3.27Å; N186-R428 PolarHBondContact OD1-NH1 2.61Å; N186-R428 PolarHBondContact OD1-NH2 2.92Å
187	R	93.4	Very high	95.5	Very high	135 Å²	135	41.5 Å²	41.5	51%	0.509	23%	0.232	S	C	.	.	S	Bend	trans	-103.8	166.9	174.9	-50.3	-178.1	77.7	147.9	0.1	111.1	N182 S185 G189 V315	N182-R187 HydrophobicContact CB-CB 4.33Å; N182-R187 WeakPolarHBondContact O-CA 3.32Å; N182-R187 WeakPolarHBondContact O-CB 3.39Å; N182-R187 PolarHBondContact O-N 3.42Å; S185-R187 VanDerWaalsContact C-N 3.33Å; S185-R187 PolarHBondContact O-N 2.89Å; R187-G189 PolarHBondContact O-N 3.37Å; R187-V315 HydrophobicContact CG-CG2 4.44Å
188	A	85.8	Confident	95.4	Very high	95 Å²	95	41.5 Å²	41.5	79%	0.785	23%	0.232	S	C	*	.			trans	-63.4	-5.8	-175.8	0	0	0	0	0	115.9	D190	A188-D190 VanDerWaalsContact C-N 3.35Å; A188-D190 PolarHBondContact O-N 2.84Å
189	G	87.2	Confident	95.4	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	23%	0.232	C	C	.	.			trans	88.1	-12	179.1	0	0	0	0	0	115.6	R179 R187	R179-G189 WeakPolarHBondContact CB-O 3.25Å; R179-G189 VanDerWaalsContact CG-O 3.23Å; R179-G189 WeakPolarHBondContact CG-O 3.27Å; R187-G189 PolarHBondContact O-N 3.37Å
190	D	92.8	Very high	95.3	Very high	103 Å²	103	40.6 Å²	40.6	55%	0.551	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-59.2	143.6	173.8	-70.4	-64.2	0	0	0	112.6	N182 A188 L192	N182-D190 PolarHBondContact ND2-O 2.86Å; A188-D190 VanDerWaalsContact C-N 3.35Å; A188-D190 PolarHBondContact O-N 2.84Å; D190-L192 PolarHBondContact O-N 3.17Å
191	L	94.7	Very high	95.2	Very high	28 Å²	28	40.6 Å²	40.6	15%	0.147	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.1	124.8	-178.8	-173.3	66.3	0	0	0	111.4	D135 I175 A178 R179 Q195 R196	D135-L191 HydrophobicContact CB-CD2 4.08Å; I175-L191 HydrophobicContact CG1-CD2 4.29Å; I175-L191 HydrophobicContact CG2-CD2 4.48Å; A178-L191 HydrophobicContact CB-CD1 3.43Å; A178-L191 VanDerWaalsContact CB-CD1 3.43Å; R179-L191 HydrophobicContact CG-CB 4.31Å; R179-L191 HydrophobicContact CG-CD1 4.4Å; L191-Q195 HydrophobicContact CD1-CB 3.67Å; L191-Q195 HydrophobicContact CG-CB 4.42Å; L191-R196 HydrophobicContact CD2-CB 3.78Å; L191-R196 HydrophobicContact CD2-CG 4.18Å; L191-R196 HydrophobicContact CG-CB 4.19Å
192	L	95.9	Very high	95.1	Very high	39 Å²	39	40.6 Å²	40.6	20%	0.204	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74.8	149.7	177.6	-58.3	175.4	0	0	0	111	D190 G194 Q195 R196 V315	D190-L192 PolarHBondContact O-N 3.17Å; L192-G194 PolarHBondContact O-N 2.72Å; L192-Q195 HydrophobicContact CB-CB 4.38Å; L192-Q195 HydrophobicContact CB-CG 4.05Å; L192-Q195 VanDerWaalsContact CB-OE1 3.32Å; L192-Q195 WeakPolarHBondContact O-CA 3.37Å; L192-Q195 WeakPolarHBondContact O-CB 3.36Å; L192-Q195 PolarHBondContact O-N 2.97Å; L192-R196 PolarHBondContact O-N 3.46Å; L192-V315 HydrophobicContact CD1-CB 4.11Å; L192-V315 HydrophobicContact CD1-CG2 4.15Å
193	P	95.6	Very high	94.9	Very high	106 Å²	106	40.8 Å²	40.8	69%	0.688	23%	0.23	S	C	*	.	H	α-helix	trans	-52.1	-48.8	-179.4	-29.2	35.8	0	0	0	113.6	Q195 R196 T197	P193-Q195 VanDerWaalsContact C-N 3.3Å; P193-Q195 PolarHBondContact O-N 3.49Å; P193-R196 WeakPolarHBondContact O-CB 3.48Å; P193-R196 PolarHBondContact O-N 3.03Å; P193-T197 PolarHBondContact O-N 2.74Å; P193-T197 PolarHBondContact O-OG1 3.02Å
194	G	97.1	Very high	94.8	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-31.8	177.2	0	0	0	0	0	113.8	L192 T197 I198	L192-G194 PolarHBondContact O-N 2.72Å; G194-T197 PolarHBondContact O-N 3.04Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.78Å
195	Q	97.8	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.9	-38.1	175.9	-66	171.8	-36.5	0	0	111.2	A178 N182 L191 L192 P193 T197 I198 A199 V311 L314	A178-Q195 HydrophobicContact CB-CB 3.81Å; A178-Q195 HydrophobicContact CB-CG 4.08Å; N182-Q195 PolarHBondContact ND2-OE1 3.1Å; N182-Q195 PolarHBondContact OD1-NE2 3.07Å; N182-Q195 PolarHBondContact OD1-OE1 3.38Å; L191-Q195 HydrophobicContact CD1-CB 3.67Å; L191-Q195 HydrophobicContact CG-CB 4.42Å; L192-Q195 HydrophobicContact CB-CB 4.38Å; L192-Q195 HydrophobicContact CB-CG 4.05Å; L192-Q195 VanDerWaalsContact CB-OE1 3.32Å; L192-Q195 WeakPolarHBondContact O-CA 3.37Å; L192-Q195 WeakPolarHBondContact O-CB 3.36Å; L192-Q195 PolarHBondContact O-N 2.97Å; P193-Q195 VanDerWaalsContact C-N 3.3Å; P193-Q195 PolarHBondContact O-N 3.49Å; Q195-T197 VanDerWaalsContact C-N 3.35Å; Q195-I198 PolarHBondContact O-N 2.97Å; Q195-A199 PolarHBondContact O-N 3.34Å; Q195-A199 VanDerWaalsContact O-N 3.1Å; Q195-V311 HydrophobicContact CB-CB 4.32Å; Q195-V311 HydrophobicContact CB-CG1 4.06Å; Q195-V311 HydrophobicContact CG-CB 4.01Å; Q195-V311 HydrophobicContact CG-CG1 4.24Å; Q195-V311 PolarHBondContact NE2-O 3.34Å; Q195-L314 HydrophobicContact CG-CB 4.04Å; Q195-L314 HydrophobicContact CG-CD1 3.93Å
196	R	96.6	Very high	94.7	Very high	45 Å²	45	36.9 Å²	36.9	17%	0.17	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-45.2	169.5	-174.8	-179.4	-175.5	69.1	10.9	111.1	D135 S138 D142 L191 L192 P193 I198 A199 M200	D135-R196 PolarHBondContact O-NH1 3.49Å; D135-R196 PolarHBondContact O-NH2 3.35Å; S138-R196 PolarHBondContact OG-NH2 2.96Å; D142-R196 IonicContact OD2-CZ 3.2Å; D142-R196 IonicContact OD2-NE 3.12Å; D142-R196 PolarHBondContact OD2-NE 3.24Å; D142-R196 IonicContact OD2-NH2 2.71Å; D142-R196 PolarHBondContact OD2-NH2 3.23Å; L191-R196 HydrophobicContact CD2-CB 3.78Å; L191-R196 HydrophobicContact CD2-CG 4.18Å; L191-R196 HydrophobicContact CG-CB 4.19Å; L192-R196 PolarHBondContact O-N 3.46Å; P193-R196 WeakPolarHBondContact O-CB 3.48Å; P193-R196 PolarHBondContact O-N 3.03Å; R196-I198 VanDerWaalsContact C-N 3.29Å; R196-I198 PolarHBondContact O-N 2.94Å; R196-A199 WeakPolarHBondContact O-CB 3.4Å; R196-A199 PolarHBondContact O-N 3.41Å; R196-A199 VanDerWaalsContact O-N 3.12Å; R196-M200 HydrophobicContact CG-SD 4.17Å; R196-M200 WeakPolarHBondContact O-CG 3.36Å; R196-M200 PolarHBondContact O-N 3.38Å
197	T	96.8	Very high	94.6	Very high	30 Å²	30	30.8 Å²	30.8	18%	0.184	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-38.9	175.9	-48.6	0	0	0	0	111.7	P193 G194 Q195 M200 I201 A251 I255	P193-T197 PolarHBondContact O-N 2.74Å; P193-T197 PolarHBondContact O-OG1 3.02Å; G194-T197 PolarHBondContact O-N 3.04Å; Q195-T197 VanDerWaalsContact C-N 3.35Å; T197-M200 WeakPolarHBondContact O-CB 3.46Å; T197-M200 PolarHBondContact O-N 3.32Å; T197-I201 HydrophobicContact CG2-CD1 3.81Å; T197-I201 HydrophobicContact CG2-CG1 4.38Å; T197-I201 WeakPolarHBondContact O-CB 3.32Å; T197-I201 WeakPolarHBondContact O-CD1 3.25Å; T197-I201 WeakPolarHBondContact O-CG1 3.46Å; T197-I201 PolarHBondContact O-N 3.47Å; T197-A251 HydrophobicContact CG2-CB 4.02Å; T197-I255 HydrophobicContact CG2-CD1 3.98Å; T197-I255 HydrophobicContact CG2-CG1 4.1Å
198	I	98.1	Very high	94.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-38.6	174.3	-66.9	-68	0	0	0	112.5	V174 G194 Q195 R196 M200 I201 S202 L252 I255 V260 V264 A310 V311 L314	V174-I198 HydrophobicContact CG1-CG2 4.09Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.78Å; Q195-I198 PolarHBondContact O-N 2.97Å; R196-I198 VanDerWaalsContact C-N 3.29Å; R196-I198 PolarHBondContact O-N 2.94Å; I198-M200 VanDerWaalsContact C-N 3.34Å; I198-M200 PolarHBondContact O-N 3Å; I198-I201 HydrophobicContact CD1-CD1 4.22Å; I198-I201 PolarHBondContact O-N 3.06Å; I198-S202 WeakPolarHBondContact O-CB 3.36Å; I198-S202 PolarHBondContact O-N 3.27Å; I198-L252 HydrophobicContact CD1-CD1 4.05Å; I198-I255 HydrophobicContact CD1-CD1 3.6Å; I198-I255 HydrophobicContact CG1-CD1 3.82Å; I198-V260 HydrophobicContact CD1-CG1 3.57Å; I198-V260 HydrophobicContact CG1-CG1 4.33Å; I198-V264 HydrophobicContact CD1-CG2 3.9Å; I198-A310 HydrophobicContact CD1-CB 4.04Å; I198-A310 HydrophobicContact CG1-CB 4.28Å; I198-A310 HydrophobicContact CG2-CB 4.01Å; I198-V311 HydrophobicContact CB-CG1 3.87Å; I198-V311 HydrophobicContact CG2-CG1 3.66Å; I198-L314 HydrophobicContact CG1-CD1 4.13Å
199	A	96.6	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-39.6	173.6	0	0	0	0	0	112.2	L139 V174 I175 Q195 R196 S202 E203	L139-A199 HydrophobicContact CD1-CB 4.4Å; V174-A199 HydrophobicContact CB-CB 4.33Å; V174-A199 HydrophobicContact CG1-CB 3.94Å; I175-A199 HydrophobicContact CD1-CB 4.36Å; I175-A199 HydrophobicContact CG1-CB 3.88Å; Q195-A199 PolarHBondContact O-N 3.34Å; Q195-A199 VanDerWaalsContact O-N 3.1Å; R196-A199 WeakPolarHBondContact O-CB 3.4Å; R196-A199 PolarHBondContact O-N 3.41Å; R196-A199 VanDerWaalsContact O-N 3.12Å; A199-S202 PolarHBondContact O-N 3.46Å; A199-E203 PolarHBondContact O-N 2.73Å
200	M	95.6	Very high	94.9	Very high	11 Å²	11	21.9 Å²	21.9	5%	0.054	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-51.7	173.9	-66.2	161.2	46.2	0	0	111.7	L139 D142 I143 E146 R196 T197 I198 S202 E203 M204	L139-M200 HydrophobicContact CD1-CG 3.49Å; L139-M200 VanDerWaalsContact CD1-CG 3.49Å; L139-M200 HydrophobicContact CG-CG 4.31Å; D142-M200 HydrophobicContact CB-CE 4.29Å; D142-M200 HydrophobicContact CB-SD 4.17Å; I143-M200 HydrophobicContact CD1-CB 4.44Å; I143-M200 HydrophobicContact CG1-CB 3.9Å; I143-M200 HydrophobicContact CG1-CG 4Å; E146-M200 HydrophobicContact CG-CE 3.48Å; E146-M200 VanDerWaalsContact CG-CE 3.48Å; R196-M200 HydrophobicContact CG-SD 4.17Å; R196-M200 WeakPolarHBondContact O-CG 3.36Å; R196-M200 PolarHBondContact O-N 3.38Å; T197-M200 WeakPolarHBondContact O-CB 3.46Å; T197-M200 PolarHBondContact O-N 3.32Å; I198-M200 VanDerWaalsContact C-N 3.34Å; I198-M200 PolarHBondContact O-N 3Å; M200-S202 PolarHBondContact O-N 2.8Å; M200-E203 PolarHBondContact O-N 2.73Å; M200-E203 VanDerWaalsContact O-N 3.11Å; M200-M204 VanDerWaalsContact O-CG 3.3Å; M200-M204 WeakPolarHBondContact O-CG 3.46Å; M200-M204 PolarHBondContact O-N 3.46Å
201	I	96	Very high	94.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-54.7	-40.8	176.5	-71.7	160.2	0	0	0	110.7	T197 I198 E203 M204 I205 A248 A251 L252 I255 V264	T197-I201 HydrophobicContact CG2-CD1 3.81Å; T197-I201 HydrophobicContact CG2-CG1 4.38Å; T197-I201 WeakPolarHBondContact O-CB 3.32Å; T197-I201 WeakPolarHBondContact O-CD1 3.25Å; T197-I201 WeakPolarHBondContact O-CG1 3.46Å; T197-I201 PolarHBondContact O-N 3.47Å; I198-I201 HydrophobicContact CD1-CD1 4.22Å; I198-I201 PolarHBondContact O-N 3.06Å; I201-E203 PolarHBondContact O-N 2.87Å; I201-M204 PolarHBondContact O-N 2.53Å; I201-I205 HydrophobicContact CG2-CD1 3.62Å; I201-I205 HydrophobicContact CG2-CG1 4.23Å; I201-I205 WeakPolarHBondContact O-CB 3.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.11Å; I201-I205 PolarHBondContact O-N 3.28Å; I201-A248 HydrophobicContact CG2-CB 4.4Å; I201-A251 HydrophobicContact CD1-CB 4.1Å; I201-A251 HydrophobicContact CG1-CB 3.96Å; I201-L252 HydrophobicContact CD1-CB 3.84Å; I201-L252 HydrophobicContact CD1-CD1 4.22Å; I201-I255 HydrophobicContact CD1-CD1 3.97Å; I201-V264 HydrophobicContact CG2-CG1 3.96Å
202	S	96.1	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-41.3	179.4	-169.1	0	0	0	0	112.8	I198 A199 M200 H206 L303 S307	I198-S202 WeakPolarHBondContact O-CB 3.36Å; I198-S202 PolarHBondContact O-N 3.27Å; A199-S202 PolarHBondContact O-N 3.46Å; M200-S202 PolarHBondContact O-N 2.8Å; S202-H206 WeakPolarHBondContact O-CB 3.26Å; S202-H206 PolarHBondContact O-N 2.86Å; S202-L303 WeakPolarHBondContact OG-CD1 3.2Å; S202-S307 WeakPolarHBondContact CB-OG 3.5Å; S202-S307 PolarHBondContact OG-OG 3.19Å
203	E	94.1	Very high	94.2	Very high	4 Å²	4	17 Å²	17	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-76.1	-33.9	177.4	-168.8	72.4	162.4	0	0	111.4	Y140 I143 F162 P171 A199 M200 I201 H206 T207	Y140-E203 HydrophobicContact CE1-CG 3.81Å; Y140-E203 WeakPolarHBondContact CE1-OE1 3.38Å; Y140-E203 PolarHBondContact OH-OE1 2.9Å; I143-E203 HydrophobicContact CD1-CB 4Å; I143-E203 HydrophobicContact CD1-CG 4.21Å; F162-E203 HydrophobicContact CE1-CG 4.26Å; P171-E203 WeakPolarHBondContact CD-OE2 3.44Å; P171-E203 HydrophobicContact CG-CB 4.06Å; P171-E203 HydrophobicContact CG-CG 4.24Å; A199-E203 PolarHBondContact O-N 2.73Å; M200-E203 PolarHBondContact O-N 2.73Å; M200-E203 VanDerWaalsContact O-N 3.11Å; I201-E203 PolarHBondContact O-N 2.87Å; E203-H206 PolarHBondContact O-N 3.22Å; E203-H206 IonicContact OE2-CD2 3.38Å; E203-T207 WeakPolarHBondContact O-CB 3.37Å; E203-T207 PolarHBondContact O-N 3.46Å; E203-T207 PolarHBondContact O-OG1 3.48Å; E203-T207 VanDerWaalsContact O-OG1 3.13Å
204	M	94.8	Very high	93.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-47.7	174.4	-68.2	170	77	0	0	111.9	I143 E146 L147 F162 M200 I201 H206 T207 A208 I244 A247 A248	I143-M204 HydrophobicContact CG1-CG 4.28Å; I143-M204 HydrophobicContact CG2-CG 3.79Å; I143-M204 HydrophobicContact CG2-SD 4.34Å; E146-M204 HydrophobicContact CB-CE 4.42Å; L147-M204 HydrophobicContact CD2-CE 3.79Å; L147-M204 HydrophobicContact CG-CE 4.09Å; F162-M204 HydrophobicContact CZ-CG 4.38Å; M200-M204 VanDerWaalsContact O-CG 3.3Å; M200-M204 WeakPolarHBondContact O-CG 3.46Å; M200-M204 PolarHBondContact O-N 3.46Å; I201-M204 PolarHBondContact O-N 2.53Å; M204-H206 VanDerWaalsContact C-N 3.34Å; M204-H206 PolarHBondContact O-N 3.35Å; M204-T207 PolarHBondContact O-N 3.48Å; M204-A208 WeakPolarHBondContact O-CB 3.26Å; M204-A208 PolarHBondContact O-N 3.41Å; M204-I244 HydrophobicContact CB-CG2 3.88Å; M204-I244 HydrophobicContact CG-CG2 4.48Å; M204-I244 WeakPolarHBondContact O-CG2 3.49Å; M204-A247 HydrophobicContact CE-CB 3.62Å; M204-A248 HydrophobicContact CB-CB 3.88Å; M204-A248 HydrophobicContact CE-CB 4.13Å; M204-A248 HydrophobicContact SD-CB 4.36Å
205	I	95.8	Very high	93.2	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-43.5	175.8	-69.4	171.9	0	0	0	110.6	I201 A208 S209 L245 A248 V264 V267 L271 L303	I201-I205 HydrophobicContact CG2-CD1 3.62Å; I201-I205 HydrophobicContact CG2-CG1 4.23Å; I201-I205 WeakPolarHBondContact O-CB 3.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.11Å; I201-I205 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 3.49Å; I205-S209 PolarHBondContact O-N 3.12Å; I205-L245 HydrophobicContact CG1-CD1 4.13Å; I205-A248 HydrophobicContact CG1-CB 4.24Å; I205-V264 HydrophobicContact CD1-CG1 3.9Å; I205-V267 HydrophobicContact CG2-CG1 4.32Å; I205-L271 HydrophobicContact CG2-CD1 3.59Å; I205-L303 HydrophobicContact CB-CD1 4.32Å; I205-L303 HydrophobicContact CG2-CD1 4.15Å
206	H	93.7	Very high	92.6	Very high	18 Å²	18	17.1 Å²	17.1	8%	0.083	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.3	172.5	45.1	0	0	0	112.9	R170 S202 E203 M204 S209 L210 R223 L303	R170-H206 PolarHBondContact NE-CD2 2.72Å; R170-H206 PolarHBondContact NH2-CD2 3.17Å; R170-H206 PolarHBondContact NH2-CE1 3.22Å; R170-H206 PolarHBondContact NH2-NE2 3.39Å; S202-H206 WeakPolarHBondContact O-CB 3.26Å; S202-H206 PolarHBondContact O-N 2.86Å; E203-H206 PolarHBondContact O-N 3.22Å; E203-H206 IonicContact OE2-CD2 3.38Å; M204-H206 VanDerWaalsContact C-N 3.34Å; M204-H206 PolarHBondContact O-N 3.35Å; H206-S209 PolarHBondContact O-N 3.48Å; H206-S209 PolarHBondContact O-OG 3.17Å; H206-L210 VanDerWaalsContact CE1-CD1 3.44Å; H206-L210 WeakPolarHBondContact CE1-CD1 3.18Å; H206-L210 WeakPolarHBondContact NE2-CD1 3.35Å; H206-L210 PolarHBondContact O-N 3.42Å; H206-R223 PolarHBondContact NE2-NH2 3.44Å; H206-L303 HydrophobicContact CB-CD2 3.83Å
207	T	91.4	Very high	92	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-39.8	178.1	-64.7	0	0	0	0	111.1	Y161 F162 E203 M204 S209 L210 V211 I244	Y161-T207 HydrophobicContact CD2-CG2 4.19Å; Y161-T207 HydrophobicContact CG-CG2 4.43Å; F162-T207 HydrophobicContact CE1-CG2 3.95Å; F162-T207 VanDerWaalsContact CE1-OG1 3.23Å; F162-T207 WeakPolarHBondContact CE1-OG1 3.2Å; F162-T207 HydrophobicContact CE2-CG2 3.84Å; F162-T207 VanDerWaalsContact CZ-CB 3.43Å; F162-T207 HydrophobicContact CZ-CG2 3.51Å; E203-T207 WeakPolarHBondContact O-CB 3.37Å; E203-T207 PolarHBondContact O-N 3.46Å; E203-T207 PolarHBondContact O-OG1 3.48Å; E203-T207 VanDerWaalsContact O-OG1 3.13Å; M204-T207 PolarHBondContact O-N 3.48Å; T207-S209 VanDerWaalsContact C-N 3.33Å; T207-S209 PolarHBondContact O-N 3.06Å; T207-L210 PolarHBondContact O-N 3.06Å; T207-V211 HydrophobicContact CG2-CG2 4.42Å; T207-V211 VanDerWaalsContact O-CG2 3.25Å; T207-V211 WeakPolarHBondContact O-CG2 3.4Å; T207-V211 PolarHBondContact O-N 2.95Å; T207-I244 HydrophobicContact CG2-CD1 4.28Å
208	A	92.9	Very high	91	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-44.5	173.7	0	0	0	0	0	111.7	M204 I205 L210 V211 H212 I244 L245	M204-A208 WeakPolarHBondContact O-CB 3.26Å; M204-A208 PolarHBondContact O-N 3.41Å; I205-A208 PolarHBondContact O-N 3.49Å; A208-L210 PolarHBondContact O-N 3.32Å; A208-V211 PolarHBondContact O-N 2.83Å; A208-H212 PolarHBondContact O-N 3.09Å; A208-H212 VanDerWaalsContact O-N 3.08Å; A208-I244 HydrophobicContact CB-CB 4.12Å; A208-I244 HydrophobicContact CB-CG2 3.97Å; A208-L245 HydrophobicContact CB-CB 4.34Å
209	S	93	Very high	89.8	Confident	26 Å²	26	20.3 Å²	20.3	18%	0.182	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-40.4	177.1	85.3	0	0	0	0	112	I205 H206 T207 V211 H212 D213	I205-S209 PolarHBondContact O-N 3.12Å; H206-S209 PolarHBondContact O-N 3.48Å; H206-S209 PolarHBondContact O-OG 3.17Å; T207-S209 VanDerWaalsContact C-N 3.33Å; T207-S209 PolarHBondContact O-N 3.06Å; S209-V211 PolarHBondContact O-N 2.84Å; S209-H212 PolarHBondContact O-N 3.3Å; S209-D213 WeakPolarHBondContact O-CB 3.17Å; S209-D213 PolarHBondContact O-N 3.16Å
210	L	88.7	Confident	88.6	Confident	20 Å²	20	25.5 Å²	25.5	11%	0.105	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-40.5	174.5	-72.5	-179.7	0	0	0	113	H206 T207 A208 H212 D213 D214	H206-L210 VanDerWaalsContact CE1-CD1 3.44Å; H206-L210 WeakPolarHBondContact CE1-CD1 3.18Å; H206-L210 WeakPolarHBondContact NE2-CD1 3.35Å; H206-L210 PolarHBondContact O-N 3.42Å; T207-L210 PolarHBondContact O-N 3.06Å; A208-L210 PolarHBondContact O-N 3.32Å; L210-H212 VanDerWaalsContact C-N 3.29Å; L210-H212 PolarHBondContact O-N 3.12Å; L210-D213 PolarHBondContact O-N 2.87Å; L210-D214 WeakPolarHBondContact O-CB 3.32Å; L210-D214 PolarHBondContact O-N 3.23Å
211	V	88.4	Confident	87.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-35.5	178.4	176.9	0	0	0	0	111.3	Y161 T207 A208 S209 I228 A237 A240	Y161-V211 HydrophobicContact CD2-CG2 3.58Å; Y161-V211 HydrophobicContact CE2-CG2 3.69Å; T207-V211 HydrophobicContact CG2-CG2 4.42Å; T207-V211 VanDerWaalsContact O-CG2 3.25Å; T207-V211 WeakPolarHBondContact O-CG2 3.4Å; T207-V211 PolarHBondContact O-N 2.95Å; A208-V211 PolarHBondContact O-N 2.83Å; S209-V211 PolarHBondContact O-N 2.84Å; V211-I228 HydrophobicContact CG1-CD1 4.37Å; V211-I228 HydrophobicContact CG2-CD1 4.04Å; V211-A237 HydrophobicContact CG1-CB 4.17Å; V211-A237 WeakPolarHBondContact CG1-O 3.44Å; V211-A240 HydrophobicContact CG1-CB 4.44Å
212	H	91.6	Very high	86.3	Confident	46 Å²	46	34.4 Å²	34.4	21%	0.213	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-43.4	174.8	-69.1	164.5	0	0	0	112.1	A208 S209 L210 D214 V215 I216 I238 D242	A208-H212 PolarHBondContact O-N 3.09Å; A208-H212 VanDerWaalsContact O-N 3.08Å; S209-H212 PolarHBondContact O-N 3.3Å; L210-H212 VanDerWaalsContact C-N 3.29Å; L210-H212 PolarHBondContact O-N 3.12Å; H212-D214 VanDerWaalsContact C-N 3.32Å; H212-D214 PolarHBondContact O-N 2.75Å; H212-V215 WeakPolarHBondContact O-CB 3.4Å; H212-V215 PolarHBondContact O-N 3.28Å; H212-V215 VanDerWaalsContact O-N 3.13Å; H212-I216 WeakPolarHBondContact O-CG1 3.46Å; H212-I216 PolarHBondContact O-N 2.67Å; H212-I216 VanDerWaalsContact O-N 3.09Å; H212-I238 PolarHBondContact NE2-O 3.08Å; H212-D242 IonicContact CE1-OD1 2.61Å; H212-D242 PolarHBondContact CE1-OD1 3.46Å; H212-D242 IonicContact NE2-OD1 2.78Å; H212-D242 PolarHBondContact NE2-OD1 2.97Å; H212-D242 VanDerWaalsContact NE2-OD1 3.12Å
213	D	88.7	Confident	84.9	Confident	20 Å²	20	39.6 Å²	39.6	11%	0.107	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-43.7	175.1	-76.1	-20.7	0	0	0	111.2	S209 L210 V215 I216 D217 K299	S209-D213 WeakPolarHBondContact O-CB 3.17Å; S209-D213 PolarHBondContact O-N 3.16Å; L210-D213 PolarHBondContact O-N 2.87Å; D213-V215 PolarHBondContact O-N 3.47Å; D213-I216 PolarHBondContact O-N 2.69Å; D213-I216 VanDerWaalsContact O-N 3.09Å; D213-D217 WeakPolarHBondContact O-CB 3.42Å; D213-D217 PolarHBondContact O-N 3.38Å; D213-K299 VanDerWaalsContact CG-NZ 3.33Å; D213-K299 IonicContact OD1-NZ 3.56Å; D213-K299 PolarHBondContact OD1-NZ 2.97Å; D213-K299 WeakPolarHBondContact OD2-CE 3.29Å; D213-K299 IonicContact OD2-NZ 3.31Å; D213-K299 PolarHBondContact OD2-NZ 2.84Å
214	D	84.4	Confident	83.6	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-36.2	177.7	-72.7	-20.5	0	0	0	112.9	Y161 L210 H212 G218 S219 R222 N229	Y161-D214 PolarHBondContact OH-OD2 3.38Å; L210-D214 WeakPolarHBondContact O-CB 3.32Å; L210-D214 PolarHBondContact O-N 3.23Å; H212-D214 VanDerWaalsContact C-N 3.32Å; H212-D214 PolarHBondContact O-N 2.75Å; D214-G218 PolarHBondContact O-N 3.05Å; D214-S219 PolarHBondContact O-N 3.17Å; D214-R222 IonicContact OD1-CZ 2.65Å; D214-R222 IonicContact OD1-NE 2.83Å; D214-R222 PolarHBondContact OD1-NE 3.24Å; D214-R222 IonicContact OD1-NH2 3.35Å; D214-R222 PolarHBondContact OD1-NH2 3Å; D214-N229 WeakPolarHBondContact CB-OD1 3.42Å
215	V	86.9	Confident	82.3	Confident	29 Å²	29	44.7 Å²	44.7	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-76.8	-41.2	177.2	179.2	0	0	0	0	111.6	H212 D213 N229 E234 A237 I238	H212-V215 WeakPolarHBondContact O-CB 3.4Å; H212-V215 PolarHBondContact O-N 3.28Å; H212-V215 VanDerWaalsContact O-N 3.13Å; D213-V215 PolarHBondContact O-N 3.47Å; V215-N229 HydrophobicContact CG2-CB 4.1Å; V215-E234 HydrophobicContact CG1-CB 4.03Å; V215-E234 HydrophobicContact CG1-CG 4.17Å; V215-A237 HydrophobicContact CG2-CB 3.45Å; V215-A237 VanDerWaalsContact CG2-CB 3.45Å; V215-I238 HydrophobicContact CG1-CD1 4.25Å; V215-I238 HydrophobicContact CG1-CG1 4.21Å; V215-I238 HydrophobicContact CG2-CG1 4.35Å
216	I	85.6	Confident	81.5	Confident	101 Å²	101	49.5 Å²	49.5	52%	0.518	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-44.6	-177.4	-66.7	166.5	0	0	0	110.9	H212 D213 G218 E275	H212-I216 WeakPolarHBondContact O-CG1 3.46Å; H212-I216 PolarHBondContact O-N 2.67Å; H212-I216 VanDerWaalsContact O-N 3.09Å; D213-I216 PolarHBondContact O-N 2.69Å; D213-I216 VanDerWaalsContact O-N 3.09Å; I216-G218 VanDerWaalsContact C-N 3.31Å; I216-E275 HydrophobicContact CD1-CG 4.2Å
217	D	81.9	Confident	80.7	Confident	59 Å²	59	48.6 Å²	48.6	32%	0.316	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.4	-179.5	-68.5	-29.5	0	0	0	112.8	D213	D213-D217 WeakPolarHBondContact O-CB 3.42Å; D213-D217 PolarHBondContact O-N 3.38Å
218	G	75.9	Confident	80	Confident	51 Å²	51	48.6 Å²	48.6	53%	0.526	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	38	-175.3	0	0	0	0	0	112.9	D214 I216	D214-G218 PolarHBondContact O-N 3.05Å; I216-G218 VanDerWaalsContact C-N 3.31Å
219	S	72.9	Confident	79.3	Confident	31 Å²	31	49.4 Å²	49.4	22%	0.217	27%	0.273	C	S	.	.			trans	-77.5	131.1	-175.4	-68.1	0	0	0	0	111.7	D214 S227 N229	D214-S219 PolarHBondContact O-N 3.17Å; S219-S227 WeakPolarHBondContact O-CB 3.49Å; S219-S227 PolarHBondContact O-OG 3.05Å; S219-N229 PolarHBondContact O-ND2 3.01Å
220	D	72.9	Confident	78.7	Confident	109 Å²	109	51.2 Å²	51.2	58%	0.583	28%	0.28	S	S	*	.	S	Bend	trans	-84.2	-25.4	175.1	-67.6	-29.3	0	0	0	113	K226 S227	D220-K226 CarbonylContact O-C 3.59Å; D220-K226 WeakPolarHBondContact O-CA 3.35Å; D220-S227 PolarHBondContact O-N 3.3Å; D220-S227 PolarHBondContact O-OG 3.47Å
221	E	69.5	Low	78.2	Confident	136 Å²	136	53.1 Å²	53.1	64%	0.636	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	144.1	-177	-67.5	-167.8	173.8	0	0	113.6	K225	E221-K225 CarbonylContact C-O 3.49Å; E221-K225 WeakPolarHBondContact CA-O 3.37Å; E221-K225 WeakPolarHBondContact CB-O 3.32Å
222	R	72.2	Confident	77.9	Confident	64 Å²	64	57.1 Å²	57.1	24%	0.242	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	128.3	174.7	-173.8	63.4	69.4	-175.8	3.1	110.7	Y161 D214 G224 K225	Y161-R222 HydrophobicContact CE1-CB 4.23Å; Y161-R222 HydrophobicContact CE1-CG 4.13Å; Y161-R222 WeakPolarHBondContact OH-CB 3.36Å; D214-R222 IonicContact OD1-CZ 2.65Å; D214-R222 IonicContact OD1-NE 2.83Å; D214-R222 PolarHBondContact OD1-NE 3.24Å; D214-R222 IonicContact OD1-NH2 3.35Å; D214-R222 PolarHBondContact OD1-NH2 3Å; R222-G224 VanDerWaalsContact C-N 3.27Å; R222-G224 PolarHBondContact O-N 2.67Å; R222-K225 PolarHBondContact N-O 3.44Å; R222-K225 PolarHBondContact O-N 3.41Å
223	R	67.9	Low	77.6	Confident	109 Å²	109	56.4 Å²	56.4	41%	0.411	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.8	-180	-60.7	-179.2	-178.4	178.8	2.8	114	H206 K225	H206-R223 PolarHBondContact NE2-NH2 3.44Å; R223-K225 VanDerWaalsContact C-N 3.29Å; R223-K225 PolarHBondContact O-N 3.28Å
224	G	65.7	Low	77.7	Confident	75 Å²	75	61.4 Å²	61.4	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	21.1	-178.8	0	0	0	0	0	114.5	R222	R222-G224 VanDerWaalsContact C-N 3.27Å; R222-G224 PolarHBondContact O-N 2.67Å
225	K	68.9	Low	77.9	Confident	35 Å²	35	71.5 Å²	71.5	15%	0.152	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	165.3	167.9	-52	-176.2	-171.6	-176.8	0	109.2	Y160 D163 E221 R222 R223	Y160-K225 HydrophobicContact CE1-CB 4.33Å; Y160-K225 HydrophobicContact CE1-CD 3.75Å; Y160-K225 HydrophobicContact CE2-CD 4.28Å; Y160-K225 PolarHBondContact O-NZ 2.95Å; Y160-K225 WeakPolarHBondContact OH-CB 3.45Å; D163-K225 WeakPolarHBondContact OD2-CE 3.28Å; D163-K225 IonicContact OD2-NZ 3.41Å; D163-K225 PolarHBondContact OD2-NZ 2.96Å; E221-K225 CarbonylContact C-O 3.49Å; E221-K225 WeakPolarHBondContact CA-O 3.37Å; E221-K225 WeakPolarHBondContact CB-O 3.32Å; R222-K225 PolarHBondContact N-O 3.44Å; R222-K225 PolarHBondContact O-N 3.41Å; R223-K225 VanDerWaalsContact C-N 3.29Å; R223-K225 PolarHBondContact O-N 3.28Å
226	K	78.6	Confident	78	Confident	106 Å²	106	73.9 Å²	73.9	46%	0.461	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	148.4	160.8	-74.2	172	150.4	-67.7	0	111.3	Y160 D220 D230 V231	Y160-K226 WeakPolarHBondContact CE1-O 3.38Å; Y160-K226 PolarHBondContact OH-O 3.28Å; Y160-K226 VanDerWaalsContact OH-O 3.13Å; D220-K226 CarbonylContact O-C 3.59Å; D220-K226 WeakPolarHBondContact O-CA 3.35Å; K226-D230 WeakPolarHBondContact CB-OD2 3.37Å; K226-D230 WeakPolarHBondContact CD-OD2 3.42Å; K226-D230 WeakPolarHBondContact CE-OD2 3.32Å; K226-D230 WeakPolarHBondContact CG-OD2 3.25Å; K226-D230 IonicContact NZ-OD1 3.6Å; K226-D230 PolarHBondContact NZ-OD1 3.29Å; K226-D230 IonicContact NZ-OD2 2.71Å; K226-D230 PolarHBondContact NZ-OD2 3.18Å; K226-V231 HydrophobicContact CB-CG2 3.49Å; K226-V231 VanDerWaalsContact CB-CG2 3.49Å; K226-V231 HydrophobicContact CD-CG2 4.18Å; K226-V231 HydrophobicContact CG-CG2 4.46Å
227	S	77.1	Confident	78.1	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.			trans	-73.2	162.8	176.3	64.8	0	0	0	0	112.2	S219 D220 N229 D230 V231	S219-S227 WeakPolarHBondContact O-CB 3.49Å; S219-S227 PolarHBondContact O-OG 3.05Å; D220-S227 PolarHBondContact O-N 3.3Å; D220-S227 PolarHBondContact O-OG 3.47Å; S227-N229 VanDerWaalsContact C-N 3.3Å; S227-N229 WeakPolarHBondContact CB-OD1 3.24Å; S227-N229 PolarHBondContact O-N 3.41Å; S227-N229 PolarHBondContact OG-ND2 3.27Å; S227-N229 PolarHBondContact OG-OD1 3.08Å; S227-D230 PolarHBondContact O-N 3.03Å; S227-D230 WeakPolarHBondContact OG-CB 3.48Å; S227-D230 PolarHBondContact OG-N 3.18Å; S227-V231 WeakPolarHBondContact O-CG2 3.34Å; S227-V231 PolarHBondContact O-N 3.12Å
228	I	77.1	Confident	78.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.1	-33.4	179	-64.7	-173.7	0	0	0	111.5	L157 Y160 Y161 V211 W232 A237	L157-I228 HydrophobicContact CD2-CG2 3.75Å; Y160-I228 HydrophobicContact CD1-CD1 4.2Å; Y160-I228 HydrophobicContact CD1-CG1 3.8Å; Y160-I228 HydrophobicContact CE1-CG1 4.39Å; Y160-I228 HydrophobicContact CG-CG1 4.46Å; Y161-I228 HydrophobicContact CD2-CD1 3.83Å; Y161-I228 HydrophobicContact CD2-CG1 4.41Å; Y161-I228 HydrophobicContact CE2-CD1 3.6Å; Y161-I228 HydrophobicContact CE2-CG1 3.74Å; V211-I228 HydrophobicContact CG1-CD1 4.37Å; V211-I228 HydrophobicContact CG2-CD1 4.04Å; I228-W232 HydrophobicContact CB-CE3 4.31Å; I228-W232 HydrophobicContact CG1-CE3 4.37Å; I228-W232 HydrophobicContact CG1-CZ3 4.32Å; I228-W232 HydrophobicContact CG2-CE3 3.93Å; I228-W232 WeakPolarHBondContact O-CB 3.34Å; I228-W232 PolarHBondContact O-N 3.19Å; I228-A237 HydrophobicContact CB-CB 4.21Å; I228-A237 HydrophobicContact CG2-CB 3.77Å
229	N	78.1	Confident	79.4	Confident	21 Å²	21	72.4 Å²	72.4	11%	0.112	36%	0.362	C	S	.	.	H	α-helix	trans	-68.8	-38.6	176.1	51.1	-66.7	0	0	0	112.9	D214 V215 S219 S227 G233 E234 A237	D214-N229 WeakPolarHBondContact CB-OD1 3.42Å; V215-N229 HydrophobicContact CG2-CB 4.1Å; S219-N229 PolarHBondContact O-ND2 3.01Å; S227-N229 VanDerWaalsContact C-N 3.3Å; S227-N229 WeakPolarHBondContact CB-OD1 3.24Å; S227-N229 PolarHBondContact O-N 3.41Å; S227-N229 PolarHBondContact OG-ND2 3.27Å; S227-N229 PolarHBondContact OG-OD1 3.08Å; N229-G233 WeakPolarHBondContact O-CA 3.26Å; N229-G233 PolarHBondContact O-N 3.13Å; N229-E234 HydrophobicContact CB-CG 4.44Å; N229-A237 HydrophobicContact CB-CB 4.35Å
230	D	79.4	Confident	80.2	Confident	63 Å²	63	71 Å²	71	34%	0.337	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-45.6	173.2	164.5	86.2	0	0	0	111.6	K226 S227	K226-D230 WeakPolarHBondContact CB-OD2 3.37Å; K226-D230 WeakPolarHBondContact CD-OD2 3.42Å; K226-D230 WeakPolarHBondContact CE-OD2 3.32Å; K226-D230 WeakPolarHBondContact CG-OD2 3.25Å; K226-D230 IonicContact NZ-OD1 3.6Å; K226-D230 PolarHBondContact NZ-OD1 3.29Å; K226-D230 IonicContact NZ-OD2 2.71Å; K226-D230 PolarHBondContact NZ-OD2 3.18Å; S227-D230 PolarHBondContact O-N 3.03Å; S227-D230 WeakPolarHBondContact OG-CB 3.48Å; S227-D230 PolarHBondContact OG-N 3.18Å
231	V	79.4	Confident	81.1	Confident	60 Å²	60	65.8 Å²	65.8	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-78.6	-35.2	-174.2	-176.5	0	0	0	0	113.2	K226 S227	K226-V231 HydrophobicContact CB-CG2 3.49Å; K226-V231 VanDerWaalsContact CB-CG2 3.49Å; K226-V231 HydrophobicContact CD-CG2 4.18Å; K226-V231 HydrophobicContact CG-CG2 4.46Å; S227-V231 WeakPolarHBondContact O-CG2 3.34Å; S227-V231 PolarHBondContact O-N 3.12Å
232	W	80.8	Confident	82.3	Confident	84 Å²	84	62.8 Å²	62.8	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-128.5	-3.2	-169.9	-69.1	-70.7	0	0	0	115.3	L157 Y160 I228 K236	L157-W232 HydrophobicContact CD2-CB 3.74Å; L157-W232 HydrophobicContact CD2-CD2 3.52Å; L157-W232 HydrophobicContact CD2-CE3 3.7Å; L157-W232 HydrophobicContact CD2-CG 3.56Å; Y160-W232 HydrophobicContact CD1-CZ3 4.27Å; Y160-W232 AromaticContact CD2-CH2 3.53Å; Y160-W232 HydrophobicContact CD2-CH2 3.53Å; Y160-W232 AromaticContact CD2-CZ3 3.81Å; Y160-W232 HydrophobicContact CD2-CZ3 3.81Å; Y160-W232 HydrophobicContact CE1-CZ3 4.36Å; Y160-W232 AromaticContact CE2-CH2 3.62Å; Y160-W232 HydrophobicContact CE2-CH2 3.62Å; Y160-W232 AromaticContact CE2-CZ3 3.89Å; Y160-W232 HydrophobicContact CE2-CZ3 3.89Å; Y160-W232 HydrophobicContact CG-CH2 4.15Å; Y160-W232 AromaticContact CG-CZ3 3.98Å; Y160-W232 HydrophobicContact CG-CZ3 3.98Å; I228-W232 HydrophobicContact CB-CE3 4.31Å; I228-W232 HydrophobicContact CG1-CE3 4.37Å; I228-W232 HydrophobicContact CG1-CZ3 4.32Å; I228-W232 HydrophobicContact CG2-CE3 3.93Å; I228-W232 WeakPolarHBondContact O-CB 3.34Å; I228-W232 PolarHBondContact O-N 3.19Å; W232-K236 HydrophobicContact CB-CB 4.21Å; W232-K236 HydrophobicContact CB-CD 4.2Å; W232-K236 WeakPolarHBondContact O-CD 3.29Å
233	G	86.5	Confident	83.3	Confident	32 Å²	32	62.3 Å²	62.3	33%	0.33	31%	0.312	S	S	.	.			trans	85.3	144.5	179.8	0	0	0	0	0	114	N229 R235 K236 A237	N229-G233 WeakPolarHBondContact O-CA 3.26Å; N229-G233 PolarHBondContact O-N 3.13Å; G233-R235 VanDerWaalsContact C-N 3.28Å; G233-R235 PolarHBondContact O-N 3.38Å; G233-R235 VanDerWaalsContact O-N 3.11Å; G233-K236 PolarHBondContact O-N 2.93Å; G233-A237 PolarHBondContact O-N 2.7Å
234	E	89.3	Confident	84.5	Confident	124 Å²	124	57.1 Å²	57.1	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-43.5	-47.2	-177.9	-59.5	168.3	179.9	0	0	113.7	V215 N229 K236 A237 I238	V215-E234 HydrophobicContact CG1-CB 4.03Å; V215-E234 HydrophobicContact CG1-CG 4.17Å; N229-E234 HydrophobicContact CB-CG 4.44Å; E234-K236 VanDerWaalsContact C-N 3.28Å; E234-K236 PolarHBondContact O-N 3.01Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.98Å; E234-A237 VanDerWaalsContact O-N 3.16Å; E234-I238 WeakPolarHBondContact O-CG1 3.46Å; E234-I238 PolarHBondContact O-N 3.27Å
235	R	90	Very high	85.9	Confident	213 Å²	213	55.6 Å²	55.6	80%	0.804	27%	0.266	S	S	*	.	H	α-helix	trans	-60.1	-35.4	-178.5	-65.1	-172.3	-176.2	-164.5	1.5	113.1	G233 L239	G233-R235 VanDerWaalsContact C-N 3.28Å; G233-R235 PolarHBondContact O-N 3.38Å; G233-R235 VanDerWaalsContact O-N 3.11Å; R235-L239 VanDerWaalsContact O-CG 3.3Å; R235-L239 WeakPolarHBondContact O-CG 3.28Å; R235-L239 PolarHBondContact O-N 2.85Å
236	K	88.6	Confident	87.1	Confident	78 Å²	78	56.9 Å²	56.9	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-79.3	-34	178.5	-63.9	-166.2	-167.8	-179.3	0	111.3	E153 L157 W232 G233 E234 A240	E153-K236 WeakPolarHBondContact OE1-CE 3.49Å; E153-K236 IonicContact OE1-NZ 2.69Å; E153-K236 PolarHBondContact OE1-NZ 3.22Å; L157-K236 HydrophobicContact CD1-CB 4.02Å; L157-K236 HydrophobicContact CD2-CB 4.45Å; W232-K236 HydrophobicContact CB-CB 4.21Å; W232-K236 HydrophobicContact CB-CD 4.2Å; W232-K236 WeakPolarHBondContact O-CD 3.29Å; G233-K236 PolarHBondContact O-N 2.93Å; E234-K236 VanDerWaalsContact C-N 3.28Å; E234-K236 PolarHBondContact O-N 3.01Å; K236-A240 WeakPolarHBondContact O-CB 3.44Å; K236-A240 PolarHBondContact O-N 3.49Å
237	A	88.4	Confident	87.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-52.4	171.9	0	0	0	0	0	111.3	V211 V215 I228 N229 G233 E234 L239 A240 G241	V211-A237 HydrophobicContact CG1-CB 4.17Å; V211-A237 WeakPolarHBondContact CG1-O 3.44Å; V215-A237 HydrophobicContact CG2-CB 3.45Å; V215-A237 VanDerWaalsContact CG2-CB 3.45Å; I228-A237 HydrophobicContact CB-CB 4.21Å; I228-A237 HydrophobicContact CG2-CB 3.77Å; N229-A237 HydrophobicContact CB-CB 4.35Å; G233-A237 PolarHBondContact O-N 2.7Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.98Å; E234-A237 VanDerWaalsContact O-N 3.16Å; A237-L239 PolarHBondContact O-N 3.16Å; A237-A240 WeakPolarHBondContact O-CB 3.43Å; A237-A240 PolarHBondContact O-N 3.16Å; A237-G241 PolarHBondContact O-N 2.9Å
238	I	91.8	Very high	88.7	Confident	72 Å²	72	52.2 Å²	52.2	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-52.6	-53	177.8	-65.4	164.2	0	0	0	111	H212 V215 E234 A240 G241 D242	H212-I238 PolarHBondContact NE2-O 3.08Å; V215-I238 HydrophobicContact CG1-CD1 4.25Å; V215-I238 HydrophobicContact CG1-CG1 4.21Å; V215-I238 HydrophobicContact CG2-CG1 4.35Å; E234-I238 WeakPolarHBondContact O-CG1 3.46Å; E234-I238 PolarHBondContact O-N 3.27Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.02Å; I238-G241 PolarHBondContact O-N 3.46Å; I238-D242 PolarHBondContact O-N 3.14Å
239	L	91.5	Very high	89.6	Confident	109 Å²	109	55.3 Å²	55.3	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-28.9	-179.7	-68.6	173.4	0	0	0	113.7	R235 A237 F243	R235-L239 VanDerWaalsContact O-CG 3.3Å; R235-L239 WeakPolarHBondContact O-CG 3.28Å; R235-L239 PolarHBondContact O-N 2.85Å; A237-L239 PolarHBondContact O-N 3.16Å; L239-F243 WeakPolarHBondContact O-CB 3.37Å; L239-F243 PolarHBondContact O-N 3.49Å
240	A	90.2	Very high	90.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-43.7	174.1	0	0	0	0	0	111.4	L154 L157 V211 K236 A237 I238 F243 I244	L154-A240 HydrophobicContact CD1-CB 4.48Å; L157-A240 HydrophobicContact CB-CB 3.89Å; V211-A240 HydrophobicContact CG1-CB 4.44Å; K236-A240 WeakPolarHBondContact O-CB 3.44Å; K236-A240 PolarHBondContact O-N 3.49Å; A237-A240 WeakPolarHBondContact O-CB 3.43Å; A237-A240 PolarHBondContact O-N 3.16Å; I238-A240 VanDerWaalsContact C-N 3.29Å; I238-A240 PolarHBondContact O-N 3.02Å; A240-F243 PolarHBondContact O-N 3.43Å; A240-I244 VanDerWaalsContact O-CG1 3.27Å; A240-I244 WeakPolarHBondContact O-CG1 3.18Å; A240-I244 PolarHBondContact O-N 3.39Å
241	G	92.5	Very high	91.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-45.1	172.8	0	0	0	0	0	112.2	A237 I238 F243 I244 L245	A237-G241 PolarHBondContact O-N 2.9Å; I238-G241 PolarHBondContact O-N 3.46Å; G241-F243 VanDerWaalsContact C-N 3.33Å; G241-F243 PolarHBondContact O-N 2.85Å; G241-I244 PolarHBondContact O-N 3.12Å; G241-L245 WeakPolarHBondContact O-CB 3.43Å; G241-L245 PolarHBondContact O-N 3.48Å
242	D	94.1	Very high	92	Very high	74 Å²	74	54 Å²	54	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-42.1	176.7	-64.2	-14.2	0	0	0	111.8	H212 I238 L245 S246	H212-D242 IonicContact CE1-OD1 2.61Å; H212-D242 PolarHBondContact CE1-OD1 3.46Å; H212-D242 IonicContact NE2-OD1 2.78Å; H212-D242 PolarHBondContact NE2-OD1 2.97Å; H212-D242 VanDerWaalsContact NE2-OD1 3.12Å; I238-D242 PolarHBondContact O-N 3.14Å; D242-L245 PolarHBondContact O-N 2.95Å; D242-S246 VanDerWaalsContact O-CB 3.32Å; D242-S246 WeakPolarHBondContact O-CB 3.39Å; D242-S246 PolarHBondContact O-N 3Å
243	F	92.5	Very high	92.8	Very high	53 Å²	53	53 Å²	53	23%	0.232	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-44.3	177.2	179.8	-96.4	0	0	0	112.4	L147 V149 L154 C158 L239 A240 G241 L245 S246 A247	L147-F243 HydrophobicContact CB-CE1 4.43Å; L147-F243 HydrophobicContact CD2-CD1 4.13Å; L147-F243 HydrophobicContact CD2-CE1 3.88Å; V149-F243 HydrophobicContact CG2-CD1 4.33Å; V149-F243 HydrophobicContact CG2-CE1 3.51Å; V149-F243 HydrophobicContact CG2-CE2 4.26Å; V149-F243 HydrophobicContact CG2-CZ 3.48Å; V149-F243 VanDerWaalsContact CG2-CZ 3.48Å; L154-F243 HydrophobicContact CD1-CB 4.26Å; L154-F243 HydrophobicContact CD1-CG 4.46Å; L154-F243 HydrophobicContact CD2-CB 4.11Å; L154-F243 HydrophobicContact CD2-CD1 4.15Å; L154-F243 HydrophobicContact CD2-CD2 3.71Å; L154-F243 HydrophobicContact CD2-CE2 4.21Å; L154-F243 HydrophobicContact CD2-CG 3.68Å; L154-F243 HydrophobicContact CG-CD1 4.29Å; L154-F243 HydrophobicContact CG-CG 4.22Å; C158-F243 VanDerWaalsContact SG-CD1 3.54Å; L239-F243 WeakPolarHBondContact O-CB 3.37Å; L239-F243 PolarHBondContact O-N 3.49Å; A240-F243 PolarHBondContact O-N 3.43Å; G241-F243 VanDerWaalsContact C-N 3.33Å; G241-F243 PolarHBondContact O-N 2.85Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.48Å; F243-S246 WeakPolarHBondContact O-CB 3.46Å; F243-S246 PolarHBondContact O-N 2.96Å; F243-A247 WeakPolarHBondContact O-CB 3.36Å; F243-A247 PolarHBondContact O-N 2.97Å
244	I	93.4	Very high	93.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-42.5	177.1	-65.4	162.8	0	0	0	110.3	L147 C158 F162 M204 T207 A208 A240 G241 A247 A248	L147-I244 HydrophobicContact CD1-CG1 4.47Å; L147-I244 HydrophobicContact CD2-CB 4.24Å; L147-I244 HydrophobicContact CD2-CG1 3.86Å; L147-I244 HydrophobicContact CD2-CG2 4.37Å; C158-I244 HydrophobicContact CB-CG1 4.37Å; F162-I244 HydrophobicContact CE2-CD1 4.09Å; F162-I244 HydrophobicContact CE2-CG1 4.41Å; F162-I244 HydrophobicContact CE2-CG2 4.49Å; F162-I244 HydrophobicContact CZ-CG2 4.16Å; M204-I244 HydrophobicContact CB-CG2 3.88Å; M204-I244 HydrophobicContact CG-CG2 4.48Å; M204-I244 WeakPolarHBondContact O-CG2 3.49Å; T207-I244 HydrophobicContact CG2-CD1 4.28Å; A208-I244 HydrophobicContact CB-CB 4.12Å; A208-I244 HydrophobicContact CB-CG2 3.97Å; A240-I244 VanDerWaalsContact O-CG1 3.27Å; A240-I244 WeakPolarHBondContact O-CG1 3.18Å; A240-I244 PolarHBondContact O-N 3.39Å; G241-I244 PolarHBondContact O-N 3.12Å; I244-A247 PolarHBondContact O-N 3.27Å; I244-A248 WeakPolarHBondContact O-CB 3.4Å; I244-A248 PolarHBondContact O-N 3.45Å
245	L	94.9	Very high	93.7	Very high	43 Å²	43	53.8 Å²	53.8	23%	0.225	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-38.3	177.3	-173	61.4	0	0	0	112.4	I205 A208 G241 D242 F243 A248 T249 I268	I205-L245 HydrophobicContact CG1-CD1 4.13Å; A208-L245 HydrophobicContact CB-CB 4.34Å; G241-L245 WeakPolarHBondContact O-CB 3.43Å; G241-L245 PolarHBondContact O-N 3.48Å; D242-L245 PolarHBondContact O-N 2.95Å; F243-L245 VanDerWaalsContact C-N 3.31Å; F243-L245 PolarHBondContact O-N 3.48Å; L245-A248 PolarHBondContact O-N 3.28Å; L245-T249 WeakPolarHBondContact O-CB 3.35Å; L245-T249 PolarHBondContact O-N 3.34Å; L245-T249 PolarHBondContact O-OG1 2.86Å; L245-I268 HydrophobicContact CD1-CD1 3.87Å; L245-I268 HydrophobicContact CD1-CG1 4.1Å; L245-I268 HydrophobicContact CD2-CG2 4.23Å
246	S	94.7	Very high	93.9	Very high	61 Å²	61	47.1 Å²	47.1	43%	0.427	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-47.9	173.4	-176.8	0	0	0	0	111.8	D242 F243 A248 T249 M250	D242-S246 VanDerWaalsContact O-CB 3.32Å; D242-S246 WeakPolarHBondContact O-CB 3.39Å; D242-S246 PolarHBondContact O-N 3Å; F243-S246 WeakPolarHBondContact O-CB 3.46Å; F243-S246 PolarHBondContact O-N 2.96Å; S246-A248 PolarHBondContact O-N 3.04Å; S246-T249 WeakPolarHBondContact O-CB 3.32Å; S246-T249 PolarHBondContact O-N 2.85Å; S246-T249 VanDerWaalsContact O-N 3.13Å; S246-M250 PolarHBondContact O-N 3.48Å
247	A	94.2	Very high	94.4	Very high	7 Å²	7	45.6 Å²	45.6	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-41.4	176.3	0	0	0	0	0	112.1	L147 M204 F243 I244 T249 M250 A251	L147-A247 HydrophobicContact CD2-CB 3.83Å; M204-A247 HydrophobicContact CE-CB 3.62Å; F243-A247 WeakPolarHBondContact O-CB 3.36Å; F243-A247 PolarHBondContact O-N 2.97Å; I244-A247 PolarHBondContact O-N 3.27Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 3.05Å; A247-M250 PolarHBondContact O-N 3.4Å; A247-A251 WeakPolarHBondContact O-CB 3.37Å; A247-A251 PolarHBondContact O-N 3.3Å
248	A	95.8	Very high	94.8	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-39.7	173.7	0	0	0	0	0	112.1	I201 M204 I205 I244 L245 S246 A251 L252	I201-A248 HydrophobicContact CG2-CB 4.4Å; M204-A248 HydrophobicContact CB-CB 3.88Å; M204-A248 HydrophobicContact CE-CB 4.13Å; M204-A248 HydrophobicContact SD-CB 4.36Å; I205-A248 HydrophobicContact CG1-CB 4.24Å; I244-A248 WeakPolarHBondContact O-CB 3.4Å; I244-A248 PolarHBondContact O-N 3.45Å; L245-A248 PolarHBondContact O-N 3.28Å; S246-A248 PolarHBondContact O-N 3.04Å; A248-A251 PolarHBondContact O-N 3.42Å; A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.88Å
249	T	95.4	Very high	95.1	Very high	65 Å²	65	49.1 Å²	49.1	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-39.2	176.7	-57.1	0	0	0	0	111.8	L245 S246 A247 L252 A253	L245-T249 WeakPolarHBondContact O-CB 3.35Å; L245-T249 PolarHBondContact O-N 3.34Å; L245-T249 PolarHBondContact O-OG1 2.86Å; S246-T249 WeakPolarHBondContact O-CB 3.32Å; S246-T249 PolarHBondContact O-N 2.85Å; S246-T249 VanDerWaalsContact O-N 3.13Å; A247-T249 VanDerWaalsContact C-N 3.33Å; A247-T249 PolarHBondContact O-N 3.05Å; T249-L252 PolarHBondContact O-N 3.06Å; T249-A253 WeakPolarHBondContact O-CB 3.29Å; T249-A253 PolarHBondContact O-N 3.04Å
250	M	95.6	Very high	95.4	Very high	110 Å²	110	43.9 Å²	43.9	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-43.7	172.2	-74.3	-179.2	57.5	0	0	112	S246 A247 L252 A253 R254	S246-M250 PolarHBondContact O-N 3.48Å; A247-M250 PolarHBondContact O-N 3.4Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 2.74Å; M250-A253 PolarHBondContact O-N 3.32Å; M250-R254 WeakPolarHBondContact O-CG 3.36Å; M250-R254 PolarHBondContact O-N 3.08Å; M250-R254 VanDerWaalsContact O-N 3.1Å
251	A	95.9	Very high	95.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-41.6	175	0	0	0	0	0	111.7	T197 I201 A247 A248 R254 I255	T197-A251 HydrophobicContact CG2-CB 4.02Å; I201-A251 HydrophobicContact CD1-CB 4.1Å; I201-A251 HydrophobicContact CG1-CB 3.96Å; A247-A251 WeakPolarHBondContact O-CB 3.37Å; A247-A251 PolarHBondContact O-N 3.3Å; A248-A251 PolarHBondContact O-N 3.42Å; A251-R254 PolarHBondContact O-N 2.9Å; A251-I255 PolarHBondContact O-N 2.98Å
252	L	96.8	Very high	96	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-44.1	175.9	-178.1	62.3	0	0	0	111.9	I198 I201 A248 T249 M250 R254 I255 V260 V261 V264	I198-L252 HydrophobicContact CD1-CD1 4.05Å; I201-L252 HydrophobicContact CD1-CB 3.84Å; I201-L252 HydrophobicContact CD1-CD1 4.22Å; A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.88Å; T249-L252 PolarHBondContact O-N 3.06Å; M250-L252 VanDerWaalsContact C-N 3.33Å; M250-L252 PolarHBondContact O-N 2.74Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 3.07Å; L252-I255 HydrophobicContact CD1-CD1 4.38Å; L252-I255 WeakPolarHBondContact O-CB 3.5Å; L252-I255 PolarHBondContact O-N 2.69Å; L252-V260 HydrophobicContact CD1-CG1 4Å; L252-V261 HydrophobicContact CD2-CG1 4.48Å; L252-V261 HydrophobicContact CG-CG2 4.16Å; L252-V264 HydrophobicContact CD1-CB 3.83Å; L252-V264 HydrophobicContact CD1-CG1 4.15Å; L252-V264 HydrophobicContact CD1-CG2 3.93Å; L252-V264 HydrophobicContact CD2-CB 3.78Å; L252-V264 HydrophobicContact CD2-CG1 3.78Å; L252-V264 HydrophobicContact CG-CB 4.48Å
253	A	96.9	Very high	96.2	Very high	64 Å²	64	51.7 Å²	51.7	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-38.8	177.4	0	0	0	0	0	112.3	T249 M250 I255 G256	T249-A253 WeakPolarHBondContact O-CB 3.29Å; T249-A253 PolarHBondContact O-N 3.04Å; M250-A253 PolarHBondContact O-N 3.32Å; A253-I255 PolarHBondContact O-N 2.97Å; A253-G256 PolarHBondContact O-N 3.25Å
254	R	96.6	Very high	96.4	Very high	139 Å²	139	49.2 Å²	49.2	53%	0.525	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-15.8	177.4	-71.1	-172.3	-55.2	-106.6	2.2	114.4	E146 M250 A251 L252 G256	E146-R254 IonicContact OE1-CZ 2.81Å; E146-R254 IonicContact OE1-NH2 3.85Å; E146-R254 PolarHBondContact OE1-NH2 3.36Å; E146-R254 IonicContact OE2-CZ 2.9Å; E146-R254 IonicContact OE2-NH1 2.7Å; E146-R254 IonicContact OE2-NH2 3.12Å; E146-R254 PolarHBondContact OE2-NH2 3.45Å; M250-R254 WeakPolarHBondContact O-CG 3.36Å; M250-R254 PolarHBondContact O-N 3.08Å; M250-R254 VanDerWaalsContact O-N 3.1Å; A251-R254 PolarHBondContact O-N 2.9Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 3.07Å; R254-G256 PolarHBondContact O-N 3.39Å
255	I	96.9	Very high	96.5	Very high	33 Å²	33	51.6 Å²	51.6	17%	0.169	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25	171.9	-62.6	174.7	0	0	0	111.1	T197 I198 I201 A251 L252 A253 N257 V260 L314	T197-I255 HydrophobicContact CG2-CD1 3.98Å; T197-I255 HydrophobicContact CG2-CG1 4.1Å; I198-I255 HydrophobicContact CD1-CD1 3.6Å; I198-I255 HydrophobicContact CG1-CD1 3.82Å; I201-I255 HydrophobicContact CD1-CD1 3.97Å; A251-I255 PolarHBondContact O-N 2.98Å; L252-I255 HydrophobicContact CD1-CD1 4.38Å; L252-I255 WeakPolarHBondContact O-CB 3.5Å; L252-I255 PolarHBondContact O-N 2.69Å; A253-I255 PolarHBondContact O-N 2.97Å; I255-N257 HydrophobicContact CG2-CB 4.23Å; I255-N257 PolarHBondContact O-N 3.02Å; I255-V260 HydrophobicContact CG2-CG1 4.45Å; I255-L314 HydrophobicContact CG2-CD2 3.77Å
256	G	95.6	Very high	96.7	Very high	72 Å²	72	52.6 Å²	52.6	74%	0.742	31%	0.313	S	S	*	.			trans	70.5	7.1	173.9	0	0	0	0	0	115.8	A253 R254	A253-G256 PolarHBondContact O-N 3.25Å; R254-G256 PolarHBondContact O-N 3.39Å
257	N	97.8	Very high	96.8	Very high	47 Å²	47	49.7 Å²	49.7	25%	0.251	29%	0.293	S	S	.	.			trans	-106.7	108.7	179.7	-177.2	-45.8	0	0	0	110.7	I255 A259 V260 V261 L314	I255-N257 HydrophobicContact CG2-CB 4.23Å; I255-N257 PolarHBondContact O-N 3.02Å; N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 2.75Å; N257-A259 WeakPolarHBondContact OD1-CB 3.37Å; N257-A259 PolarHBondContact OD1-N 2.9Å; N257-A259 VanDerWaalsContact OD1-N 3.07Å; N257-V260 HydrophobicContact CB-CB 4.07Å; N257-V260 HydrophobicContact CB-CG2 4.08Å; N257-V260 WeakPolarHBondContact O-CB 3.47Å; N257-V260 PolarHBondContact O-N 3.21Å; N257-V260 PolarHBondContact OD1-N 2.65Å; N257-V261 WeakPolarHBondContact O-CG2 3.33Å; N257-V261 PolarHBondContact O-N 3.4Å; N257-L314 HydrophobicContact CB-CD2 4.33Å
258	S	97.6	Very high	96.9	Very high	102 Å²	102	51.6 Å²	51.6	71%	0.713	30%	0.302	S	S	*	.	H	α-helix	trans	-65	-29.8	-175.5	57.5	0	0	0	0	114.2	K262	S258-K262 WeakPolarHBondContact O-CB 3.37Å; S258-K262 PolarHBondContact O-N 3.02Å
259	A	97.7	Very high	96.9	Very high	43 Å²	43	55.5 Å²	55.5	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-41.1	174.8	0	0	0	0	0	111	N257 K262 V263 I313	N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 2.75Å; N257-A259 WeakPolarHBondContact OD1-CB 3.37Å; N257-A259 PolarHBondContact OD1-N 2.9Å; N257-A259 VanDerWaalsContact OD1-N 3.07Å; A259-K262 PolarHBondContact O-N 3.2Å; A259-V263 WeakPolarHBondContact O-CB 3.34Å; A259-V263 VanDerWaalsContact O-CG2 3.28Å; A259-V263 WeakPolarHBondContact O-CG2 3.39Å; A259-V263 PolarHBondContact O-N 3.02Å; A259-I313 HydrophobicContact CB-CG2 4.16Å
260	V	98	Very high	97	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-45.4	173.2	170.4	0	0	0	0	111.3	I198 L252 I255 N257 K262 V263 V264 A310 I313 L314	I198-V260 HydrophobicContact CD1-CG1 3.57Å; I198-V260 HydrophobicContact CG1-CG1 4.33Å; L252-V260 HydrophobicContact CD1-CG1 4Å; I255-V260 HydrophobicContact CG2-CG1 4.45Å; N257-V260 HydrophobicContact CB-CB 4.07Å; N257-V260 HydrophobicContact CB-CG2 4.08Å; N257-V260 WeakPolarHBondContact O-CB 3.47Å; N257-V260 PolarHBondContact O-N 3.21Å; N257-V260 PolarHBondContact OD1-N 2.65Å; V260-K262 PolarHBondContact O-N 2.78Å; V260-V263 PolarHBondContact O-N 3.12Å; V260-V264 HydrophobicContact CG1-CG2 4.43Å; V260-V264 WeakPolarHBondContact O-CG2 3.05Å; V260-V264 PolarHBondContact O-N 3.43Å; V260-A310 HydrophobicContact CG1-CB 4.08Å; V260-I313 HydrophobicContact CG2-CB 3.94Å; V260-I313 HydrophobicContact CG2-CG2 3.66Å; V260-L314 HydrophobicContact CG2-CD2 3.87Å; V260-L314 HydrophobicContact CG2-CG 4Å
261	V	97.9	Very high	97	Very high	47 Å²	47	48.8 Å²	48.8	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-54.2	-53.5	174.3	174.2	0	0	0	0	110.1	L252 N257 V263 V264 S265	L252-V261 HydrophobicContact CD2-CG1 4.48Å; L252-V261 HydrophobicContact CG-CG2 4.16Å; N257-V261 WeakPolarHBondContact O-CG2 3.33Å; N257-V261 PolarHBondContact O-N 3.4Å; V261-V263 VanDerWaalsContact C-N 3.33Å; V261-V263 PolarHBondContact O-N 3.19Å; V261-V264 PolarHBondContact O-N 3.49Å; V261-S265 WeakPolarHBondContact O-CB 3.4Å; V261-S265 PolarHBondContact O-N 2.73Å; V261-S265 PolarHBondContact O-OG 3.28Å; V261-S265 VanDerWaalsContact O-OG 3.07Å
262	K	97.8	Very high	96.9	Very high	167 Å²	167	52.6 Å²	52.6	73%	0.726	31%	0.306	S	S	*	.	H	α-helix	trans	-57.8	-43.1	179.5	-175.5	176.5	-179.1	178.4	0	112.7	S258 A259 V260 Q266	S258-K262 WeakPolarHBondContact O-CB 3.37Å; S258-K262 PolarHBondContact O-N 3.02Å; A259-K262 PolarHBondContact O-N 3.2Å; V260-K262 PolarHBondContact O-N 2.78Å; K262-Q266 PolarHBondContact O-N 3.35Å
263	V	97.5	Very high	96.8	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-40.4	-179.8	164.9	0	0	0	0	111.8	A259 V260 V261 H306 K309 A310 I313	A259-V263 WeakPolarHBondContact O-CB 3.34Å; A259-V263 VanDerWaalsContact O-CG2 3.28Å; A259-V263 WeakPolarHBondContact O-CG2 3.39Å; A259-V263 PolarHBondContact O-N 3.02Å; V260-V263 PolarHBondContact O-N 3.12Å; V261-V263 VanDerWaalsContact C-N 3.33Å; V261-V263 PolarHBondContact O-N 3.19Å; V263-H306 HydrophobicContact CG1-CB 3.99Å; V263-H306 WeakPolarHBondContact CG1-O 3.33Å; V263-H306 WeakPolarHBondContact O-CB 3.42Å; V263-H306 PolarHBondContact O-ND1 2.95Å; V263-K309 HydrophobicContact CG1-CB 4.03Å; V263-K309 HydrophobicContact CG1-CD 4.4Å; V263-K309 HydrophobicContact CG1-CG 4.34Å; V263-K309 HydrophobicContact CG2-CD 4.44Å; V263-A310 HydrophobicContact CG1-CB 4.35Å; V263-I313 HydrophobicContact CG2-CD1 3.93Å
264	V	97.1	Very high	96.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-79.6	-35.8	-179.9	178.2	0	0	0	0	112	I198 I201 I205 L252 V260 V261 Q266 V267 A310	I198-V264 HydrophobicContact CD1-CG2 3.9Å; I201-V264 HydrophobicContact CG2-CG1 3.96Å; I205-V264 HydrophobicContact CD1-CG1 3.9Å; L252-V264 HydrophobicContact CD1-CB 3.83Å; L252-V264 HydrophobicContact CD1-CG1 4.15Å; L252-V264 HydrophobicContact CD1-CG2 3.93Å; L252-V264 HydrophobicContact CD2-CB 3.78Å; L252-V264 HydrophobicContact CD2-CG1 3.78Å; L252-V264 HydrophobicContact CG-CB 4.48Å; V260-V264 HydrophobicContact CG1-CG2 4.43Å; V260-V264 WeakPolarHBondContact O-CG2 3.05Å; V260-V264 PolarHBondContact O-N 3.43Å; V261-V264 PolarHBondContact O-N 3.49Å; V264-Q266 PolarHBondContact O-N 2.83Å; V264-V267 VanDerWaalsContact O-CB 3.29Å; V264-V267 WeakPolarHBondContact O-CB 3.49Å; V264-V267 WeakPolarHBondContact O-CG2 3.49Å; V264-V267 PolarHBondContact O-N 2.85Å; V264-A310 HydrophobicContact CG2-CB 3.92Å
265	S	96.4	Very high	96.4	Very high	52 Å²	52	49.3 Å²	49.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-29.4	174.7	-65.9	0	0	0	0	113.1	V261 V267 I268 E269	V261-S265 WeakPolarHBondContact O-CB 3.4Å; V261-S265 PolarHBondContact O-N 2.73Å; V261-S265 PolarHBondContact O-OG 3.28Å; V261-S265 VanDerWaalsContact O-OG 3.07Å; S265-V267 PolarHBondContact O-N 3.31Å; S265-I268 PolarHBondContact O-N 2.8Å; S265-E269 PolarHBondContact O-N 3.32Å
266	Q	97.9	Very high	96	Very high	64 Å²	64	54.6 Å²	54.6	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-57.3	-33.5	172.8	-171.7	59.7	57.8	0	0	112.3	K262 V264 I268 E269 D270	K262-Q266 PolarHBondContact O-N 3.35Å; V264-Q266 PolarHBondContact O-N 2.83Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 2.65Å; Q266-E269 PolarHBondContact NE2-OE2 2.92Å; Q266-E269 PolarHBondContact O-N 3.33Å; Q266-D270 PolarHBondContact NE2-OD1 3.14Å; Q266-D270 WeakPolarHBondContact O-CB 3.44Å; Q266-D270 PolarHBondContact O-N 2.78Å
267	V	97.7	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-39	179.6	-176.3	0	0	0	0	111.5	I205 V264 S265 E269 D270 L271 L303 H306	I205-V267 HydrophobicContact CG2-CG1 4.32Å; V264-V267 VanDerWaalsContact O-CB 3.29Å; V264-V267 WeakPolarHBondContact O-CB 3.49Å; V264-V267 WeakPolarHBondContact O-CG2 3.49Å; V264-V267 PolarHBondContact O-N 2.85Å; S265-V267 PolarHBondContact O-N 3.31Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.43Å; V267-D270 PolarHBondContact O-N 3.43Å; V267-L271 HydrophobicContact CG1-CD1 4.03Å; V267-L271 HydrophobicContact CG1-CG 4.18Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.25Å; V267-L271 WeakPolarHBondContact O-CG 3.45Å; V267-L271 PolarHBondContact O-N 3.3Å; V267-L303 HydrophobicContact CG1-CB 3.71Å; V267-L303 HydrophobicContact CG1-CD1 3.82Å; V267-L303 HydrophobicContact CG1-CG 4.33Å; V267-H306 HydrophobicContact CG2-CB 3.38Å
268	I	95.1	Very high	94.9	Very high	46 Å²	46	51.3 Å²	51.3	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-42.6	-179.8	-54.4	174.1	0	0	0	109.6	L245 S265 Q266 V272	L245-I268 HydrophobicContact CD1-CD1 3.87Å; L245-I268 HydrophobicContact CD1-CG1 4.1Å; L245-I268 HydrophobicContact CD2-CG2 4.23Å; S265-I268 PolarHBondContact O-N 2.8Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 2.65Å; I268-V272 WeakPolarHBondContact O-CG2 3.27Å; I268-V272 PolarHBondContact O-N 2.96Å
269	E	96.3	Very high	93.9	Very high	85 Å²	85	52.3 Å²	52.3	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-41.5	175.1	-167.6	-172.9	-142.8	0	0	112.1	S265 Q266 V267 R273	S265-E269 PolarHBondContact O-N 3.32Å; Q266-E269 PolarHBondContact NE2-OE2 2.92Å; Q266-E269 PolarHBondContact O-N 3.33Å; V267-E269 VanDerWaalsContact C-N 3.33Å; V267-E269 PolarHBondContact O-N 3.43Å; E269-R273 WeakPolarHBondContact O-CB 3.35Å; E269-R273 WeakPolarHBondContact O-CG 3.37Å; E269-R273 PolarHBondContact O-N 3.44Å; E269-R273 IonicContact OE1-CZ 3.92Å; E269-R273 VanDerWaalsContact OE1-CZ 3.23Å; E269-R273 IonicContact OE1-NH1 3.02Å; E269-R273 PolarHBondContact OE1-NH1 3.25Å; E269-R273 IonicContact OE1-NH2 2.71Å; E269-R273 PolarHBondContact OE1-NH2 3.15Å; E269-R273 IonicContact OE2-CZ 2.62Å; E269-R273 IonicContact OE2-NH1 2.64Å; E269-R273 PolarHBondContact OE2-NH1 3.08Å; E269-R273 IonicContact OE2-NH2 3.05Å
270	D	97.9	Very high	92.5	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-45.3	177.9	-79.8	3.5	0	0	0	111.5	Q266 V267 R273 G274 Y297 K298 S302	Q266-D270 PolarHBondContact NE2-OD1 3.14Å; Q266-D270 WeakPolarHBondContact O-CB 3.44Å; Q266-D270 PolarHBondContact O-N 2.78Å; V267-D270 PolarHBondContact O-N 3.43Å; D270-R273 PolarHBondContact O-N 3.25Å; D270-G274 PolarHBondContact O-N 2.91Å; D270-Y297 WeakPolarHBondContact OD2-CE1 3.28Å; D270-Y297 PolarHBondContact OD2-OH 3.45Å; D270-K298 HydrophobicContact CB-CB 4.44Å; D270-K298 HydrophobicContact CB-CG 4.15Å; D270-K298 WeakPolarHBondContact O-CB 3.47Å; D270-S302 WeakPolarHBondContact OD2-CB 3.37Å
271	L	95.6	Very high	91.2	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-51.7	176.8	-74.3	171.5	0	0	0	111.3	I205 V267 R273 G274 E275 K299	I205-L271 HydrophobicContact CG2-CD1 3.59Å; V267-L271 HydrophobicContact CG1-CD1 4.03Å; V267-L271 HydrophobicContact CG1-CG 4.18Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.25Å; V267-L271 WeakPolarHBondContact O-CG 3.45Å; V267-L271 PolarHBondContact O-N 3.3Å; L271-R273 PolarHBondContact O-N 2.85Å; L271-G274 PolarHBondContact O-N 3.15Å; L271-G274 VanDerWaalsContact O-N 3.14Å; L271-E275 PolarHBondContact O-N 3.36Å; L271-K299 WeakPolarHBondContact CD2-O 3.28Å
272	V	94.1	Very high	90.3	Very high	80 Å²	80	56.8 Å²	56.8	49%	0.485	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-44.3	178.4	174.8	0	0	0	0	110.9	I268 G274 E275 F276	I268-V272 WeakPolarHBondContact O-CG2 3.27Å; I268-V272 PolarHBondContact O-N 2.96Å; V272-G274 VanDerWaalsContact C-N 3.31Å; V272-G274 PolarHBondContact O-N 2.71Å; V272-E275 PolarHBondContact O-N 3.29Å; V272-F276 HydrophobicContact CG1-CD2 3.98Å; V272-F276 HydrophobicContact CG1-CE2 3.99Å; V272-F276 WeakPolarHBondContact O-CD2 3.23Å; V272-F276 PolarHBondContact O-N 3.29Å; V272-F276 VanDerWaalsContact O-N 3.08Å
273	R	94.8	Very high	89.1	Confident	111 Å²	111	55.8 Å²	55.8	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-37.5	175.1	-77.9	179.2	173.5	138.9	10.6	112.7	E269 D270 L271 E275 F276 M277 K298	E269-R273 WeakPolarHBondContact O-CB 3.35Å; E269-R273 WeakPolarHBondContact O-CG 3.37Å; E269-R273 PolarHBondContact O-N 3.44Å; E269-R273 IonicContact OE1-CZ 3.92Å; E269-R273 VanDerWaalsContact OE1-CZ 3.23Å; E269-R273 IonicContact OE1-NH1 3.02Å; E269-R273 PolarHBondContact OE1-NH1 3.25Å; E269-R273 IonicContact OE1-NH2 2.71Å; E269-R273 PolarHBondContact OE1-NH2 3.15Å; E269-R273 IonicContact OE2-CZ 2.62Å; E269-R273 IonicContact OE2-NH1 2.64Å; E269-R273 PolarHBondContact OE2-NH1 3.08Å; E269-R273 IonicContact OE2-NH2 3.05Å; D270-R273 PolarHBondContact O-N 3.25Å; L271-R273 PolarHBondContact O-N 2.85Å; R273-E275 VanDerWaalsContact C-N 3.3Å; R273-F276 PolarHBondContact O-N 3.02Å; R273-M277 VanDerWaalsContact O-CG 3.25Å; R273-M277 WeakPolarHBondContact O-CG 3.39Å; R273-M277 PolarHBondContact O-N 3.03Å; R273-M277 VanDerWaalsContact O-N 3.08Å; R273-K298 HydrophobicContact CB-CD 3.99Å
274	G	93.6	Very high	88.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-40.3	176	0	0	0	0	0	111.7	D270 L271 V272 M277	D270-G274 PolarHBondContact O-N 2.91Å; L271-G274 PolarHBondContact O-N 3.15Å; L271-G274 VanDerWaalsContact O-N 3.14Å; V272-G274 VanDerWaalsContact C-N 3.31Å; V272-G274 PolarHBondContact O-N 2.71Å; G274-M277 WeakPolarHBondContact O-CB 3.34Å; G274-M277 PolarHBondContact O-N 3.41Å
275	E	90.4	Very high	87.8	Confident	29 Å²	29	62.2 Å²	62.2	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-47.6	176.4	-165.8	50.8	-129.9	0	0	112.3	I216 L271 V272 R273 M277 Q278 K299	I216-E275 HydrophobicContact CD1-CG 4.2Å; L271-E275 PolarHBondContact O-N 3.36Å; V272-E275 PolarHBondContact O-N 3.29Å; R273-E275 VanDerWaalsContact C-N 3.3Å; E275-M277 PolarHBondContact O-N 3.08Å; E275-M277 VanDerWaalsContact O-N 3.12Å; E275-Q278 WeakPolarHBondContact O-CB 3.33Å; E275-Q278 PolarHBondContact O-N 3.28Å; E275-Q278 PolarHBondContact OE2-OE1 3.49Å; E275-K299 IonicContact OE2-NZ 2.72Å; E275-K299 PolarHBondContact OE2-NZ 3.22Å
276	F	89.9	Confident	87.2	Confident	143 Å²	143	65.7 Å²	65.7	63%	0.627	33%	0.333	S	S	*	.	H	α-helix	trans	-58.4	-28.5	173.9	-87.5	-84.6	0	0	0	113	V272 R273 Q278 L279	V272-F276 HydrophobicContact CG1-CD2 3.98Å; V272-F276 HydrophobicContact CG1-CE2 3.99Å; V272-F276 WeakPolarHBondContact O-CD2 3.23Å; V272-F276 PolarHBondContact O-N 3.29Å; V272-F276 VanDerWaalsContact O-N 3.08Å; R273-F276 PolarHBondContact O-N 3.02Å; F276-Q278 PolarHBondContact O-N 2.95Å; F276-L279 HydrophobicContact CD1-CD1 3.82Å; F276-L279 HydrophobicContact CE1-CD1 4.21Å; F276-L279 WeakPolarHBondContact O-CB 3.48Å; F276-L279 PolarHBondContact O-N 3.06Å
277	M	89.6	Confident	86.8	Confident	26 Å²	26	67.7 Å²	67.7	13%	0.128	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-71.2	-13.9	174.1	-73.2	173.1	68.4	0	0	113.8	R273 G274 E275 L279 H291 E294 K295 K298	R273-M277 VanDerWaalsContact O-CG 3.25Å; R273-M277 WeakPolarHBondContact O-CG 3.39Å; R273-M277 PolarHBondContact O-N 3.03Å; R273-M277 VanDerWaalsContact O-N 3.08Å; G274-M277 WeakPolarHBondContact O-CB 3.34Å; G274-M277 PolarHBondContact O-N 3.41Å; E275-M277 PolarHBondContact O-N 3.08Å; E275-M277 VanDerWaalsContact O-N 3.12Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-H291 WeakPolarHBondContact CE-O 3.25Å; M277-H291 PolarHBondContact O-CE1 2.96Å; M277-H291 PolarHBondContact O-NE2 3.46Å; M277-E294 HydrophobicContact CE-CB 3.87Å; M277-E294 HydrophobicContact CE-CG 3.83Å; M277-E294 HydrophobicContact SD-CG 4.33Å; M277-K295 HydrophobicContact CB-CG 4.43Å; M277-K295 HydrophobicContact CE-CB 4.23Å; M277-K298 HydrophobicContact SD-CD 3.59Å; M277-K298 VanDerWaalsContact SD-CD 3.59Å; M277-K298 PolarHBondContact SD-NZ 2.99Å
278	Q	81.1	Confident	86.4	Confident	24 Å²	24	68.3 Å²	68.3	11%	0.112	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-78.6	-15.2	170.7	-68.8	178.3	-145.9	0	0	113.2	E275 F276 G280 K295 R386	E275-Q278 WeakPolarHBondContact O-CB 3.33Å; E275-Q278 PolarHBondContact O-N 3.28Å; E275-Q278 PolarHBondContact OE2-OE1 3.49Å; F276-Q278 PolarHBondContact O-N 2.95Å; Q278-G280 VanDerWaalsContact C-N 3.32Å; Q278-G280 PolarHBondContact O-N 3.04Å; Q278-K295 HydrophobicContact CG-CD 3.77Å; Q278-K295 HydrophobicContact CG-CG 4.5Å; Q278-R386 PolarHBondContact O-NH1 3.19Å
279	L	75.9	Confident	86.2	Confident	124 Å²	124	67.9 Å²	67.9	65%	0.649	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-79.8	-8.1	-175.4	-59.8	178.3	0	0	0	114.1	F276 M277	F276-L279 HydrophobicContact CD1-CD1 3.82Å; F276-L279 HydrophobicContact CE1-CD1 4.21Å; F276-L279 WeakPolarHBondContact O-CB 3.48Å; F276-L279 PolarHBondContact O-N 3.06Å; M277-L279 VanDerWaalsContact C-N 3.33Å
280	G	68.9	Low	86.1	Confident	40 Å²	40	70.9 Å²	70.9	41%	0.412	35%	0.353	S	S	.	.			trans	-150.4	144.2	-179.1	0	0	0	0	0	114.7	Q278	Q278-G280 VanDerWaalsContact C-N 3.32Å; Q278-G280 PolarHBondContact O-N 3.04Å
281	S	69.3	Low	85.8	Confident	52 Å²	52	72.1 Å²	72.1	36%	0.364	36%	0.358	S	S	.	.			trans	-92.7	148.8	172.4	-64.7	0	0	0	0	111.3
282	K	80.3	Confident	85.8	Confident	92 Å²	92	71.2 Å²	71.2	40%	0.4	35%	0.353	S	S	.	.			trans	-90.3	140.6	167.9	-62.6	-62.5	-176.5	177.8	0	110.6	E287 R288 H291	K282-E287 HydrophobicContact CB-CB 4.11Å; K282-E287 HydrophobicContact CG-CB 4.33Å; K282-R288 HydrophobicContact CB-CB 4.23Å; K282-R288 VanDerWaalsContact O-CZ 3.31Å; K282-R288 PolarHBondContact O-NE 3.17Å; K282-R288 PolarHBondContact O-NH2 3Å; K282-H291 HydrophobicContact CG-CB 3.97Å
283	E	72.8	Confident	85.9	Confident	145 Å²	145	69.1 Å²	69.1	68%	0.678	34%	0.339	S	S	*	.	S	Bend	trans	-70	-57.3	176.8	-68.1	-178.4	174.3	0	0	110.9	R288 H380 M384	E283-R288 PolarHBondContact O-NH2 3.5Å; E283-R288 VanDerWaalsContact O-NH2 3.15Å; E283-H380 PolarHBondContact O-CE1 3.4Å; E283-M384 HydrophobicContact CG-CE 3.68Å; E283-M384 HydrophobicContact CG-SD 4.28Å
284	N	84.9	Confident	86	Confident	83 Å²	83	67.5 Å²	67.5	44%	0.444	34%	0.336	S	S	.	.	S	Bend	trans	-65.2	135.9	-178.8	-173.2	-66	0	0	0	112.1	N286 E287 R288	N284-N286 PolarHBondContact OD1-N 3.37Å; N284-E287 HydrophobicContact CB-CB 4.07Å; N284-E287 HydrophobicContact CB-CG 3.88Å; N284-E287 PolarHBondContact O-N 3.1Å; N284-E287 PolarHBondContact OD1-N 2.88Å; N284-R288 WeakPolarHBondContact O-CB 3.38Å; N284-R288 PolarHBondContact O-N 3.36Å
285	E	81.1	Confident	86.1	Confident	76 Å²	76	69 Å²	69	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-47.3	-177.4	-168.6	-159.1	127.5	0	0	113.3	E287 R288 F289 Q374	E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.86Å; E285-R288 WeakPolarHBondContact O-CB 3.16Å; E285-R288 PolarHBondContact O-N 3.49Å; E285-R288 VanDerWaalsContact O-N 3.09Å; E285-F289 PolarHBondContact O-N 3.34Å; E285-Q374 VanDerWaalsContact OE1-CG 3.29Å; E285-Q374 WeakPolarHBondContact OE1-CG 3.27Å; E285-Q374 PolarHBondContact OE1-NE2 2.96Å
286	N	83.6	Confident	86.4	Confident	125 Å²	125	67.8 Å²	67.8	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-63.5	-38.8	178.7	-73.9	-45.2	0	0	0	111.2	N284 R288 K290	N284-N286 PolarHBondContact OD1-N 3.37Å; N286-R288 VanDerWaalsContact C-N 3.35Å; N286-K290 WeakPolarHBondContact O-CB 3.04Å; N286-K290 PolarHBondContact O-N 3.24Å
287	E	89.1	Confident	86.8	Confident	106 Å²	106	62.4 Å²	62.4	50%	0.495	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-37.3	173.9	-63.5	-171.3	165.6	0	0	111.9	K282 N284 E285 K290 H291	K282-E287 HydrophobicContact CB-CB 4.11Å; K282-E287 HydrophobicContact CG-CB 4.33Å; N284-E287 HydrophobicContact CB-CB 4.07Å; N284-E287 HydrophobicContact CB-CG 3.88Å; N284-E287 PolarHBondContact O-N 3.1Å; N284-E287 PolarHBondContact OD1-N 2.88Å; E285-E287 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 2.86Å; E287-K290 PolarHBondContact O-N 2.77Å; E287-H291 WeakPolarHBondContact O-CB 3.33Å; E287-H291 PolarHBondContact O-N 3Å
288	R	89.9	Confident	87.2	Confident	14 Å²	14	62.4 Å²	62.4	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-44	177	-170	-177.6	-65.2	170.5	3.5	111.6	K282 E283 N284 E285 N286 H291 Y292 L370 H380 M384	K282-R288 HydrophobicContact CB-CB 4.23Å; K282-R288 VanDerWaalsContact O-CZ 3.31Å; K282-R288 PolarHBondContact O-NE 3.17Å; K282-R288 PolarHBondContact O-NH2 3Å; E283-R288 PolarHBondContact O-NH2 3.5Å; E283-R288 VanDerWaalsContact O-NH2 3.15Å; N284-R288 WeakPolarHBondContact O-CB 3.38Å; N284-R288 PolarHBondContact O-N 3.36Å; E285-R288 WeakPolarHBondContact O-CB 3.16Å; E285-R288 PolarHBondContact O-N 3.49Å; E285-R288 VanDerWaalsContact O-N 3.09Å; N286-R288 VanDerWaalsContact C-N 3.35Å; R288-H291 PolarHBondContact O-N 3.35Å; R288-Y292 WeakPolarHBondContact O-CB 3.38Å; R288-Y292 PolarHBondContact O-N 2.9Å; R288-L370 VanDerWaalsContact CD-CD2 3.44Å; R288-L370 HydrophobicContact CG-CD2 3.71Å; R288-H380 PolarHBondContact NH2-CE1 3.25Å; R288-M384 PolarHBondContact NH2-SD 3.42Å; R288-M384 VanDerWaalsContact NH2-SD 3.36Å
289	F	91.7	Very high	87.8	Confident	37 Å²	37	63.5 Å²	63.5	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-40.7	176.6	-156	-85.2	0	0	0	112	E285 Y292 L293 L370 F371 L412	E285-F289 PolarHBondContact O-N 3.34Å; F289-Y292 WeakPolarHBondContact O-CB 3.43Å; F289-Y292 PolarHBondContact O-N 3.17Å; F289-L293 HydrophobicContact CD1-CD1 4Å; F289-L293 HydrophobicContact CD1-CG 4.19Å; F289-L293 HydrophobicContact CE1-CD1 3.78Å; F289-L293 HydrophobicContact CE1-CD2 4.44Å; F289-L293 HydrophobicContact CE1-CG 3.97Å; F289-L293 PolarHBondContact O-N 3.15Å; F289-L370 HydrophobicContact CD2-CB 3.91Å; F289-L370 HydrophobicContact CD2-CD1 4.21Å; F289-L370 HydrophobicContact CE2-CB 4.15Å; F289-F371 HydrophobicContact CE1-CZ 4.39Å; F289-F371 HydrophobicContact CE2-CD1 4.3Å; F289-F371 HydrophobicContact CE2-CD2 4.01Å; F289-F371 AromaticContact CE2-CE1 3.96Å; F289-F371 HydrophobicContact CE2-CE1 3.96Å; F289-F371 AromaticContact CE2-CE2 3.66Å; F289-F371 HydrophobicContact CE2-CE2 3.66Å; F289-F371 HydrophobicContact CE2-CG 4.33Å; F289-F371 AromaticContact CE2-CZ 3.64Å; F289-F371 HydrophobicContact CE2-CZ 3.64Å; F289-F371 HydrophobicContact CZ-CD2 4.36Å; F289-F371 HydrophobicContact CZ-CE1 4.05Å; F289-F371 AromaticContact CZ-CE2 3.55Å; F289-F371 HydrophobicContact CZ-CE2 3.55Å; F289-F371 AromaticContact CZ-CZ 3.37Å; F289-F371 HydrophobicContact CZ-CZ 3.37Å; F289-L412 HydrophobicContact CE1-CD2 3.86Å; F289-L412 HydrophobicContact CZ-CD2 3.67Å
290	K	93	Very high	88.6	Confident	147 Å²	147	58.5 Å²	58.5	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-46.2	172.7	-177.7	-177.4	174.5	-174.2	0	111.9	N286 E287 Y292 L293 E294	N286-K290 WeakPolarHBondContact O-CB 3.04Å; N286-K290 PolarHBondContact O-N 3.24Å; E287-K290 PolarHBondContact O-N 2.77Å; K290-Y292 VanDerWaalsContact C-N 3.32Å; K290-Y292 PolarHBondContact O-N 2.73Å; K290-L293 PolarHBondContact O-N 3.41Å; K290-E294 WeakPolarHBondContact O-CB 3.24Å; K290-E294 PolarHBondContact O-N 3.39Å
291	H	93.2	Very high	90	Very high	36 Å²	36	56.6 Å²	56.6	17%	0.167	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-40.2	177.5	-179	96.1	0	0	0	111.5	M277 K282 E287 R288 E294 K295	M277-H291 WeakPolarHBondContact CE-O 3.25Å; M277-H291 PolarHBondContact O-CE1 2.96Å; M277-H291 PolarHBondContact O-NE2 3.46Å; K282-H291 HydrophobicContact CG-CB 3.97Å; E287-H291 WeakPolarHBondContact O-CB 3.33Å; E287-H291 PolarHBondContact O-N 3Å; R288-H291 PolarHBondContact O-N 3.35Å; H291-E294 PolarHBondContact O-N 3.26Å; H291-K295 WeakPolarHBondContact O-CB 3.42Å; H291-K295 PolarHBondContact O-N 2.87Å
292	Y	94.7	Very high	91.4	Very high	6 Å²	6	54.1 Å²	54.1	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-53.9	172.1	163.2	-102.9	0	0	0	111.9	R288 F289 K290 E294 K295 T296 L338 D341 T366 L370	R288-Y292 WeakPolarHBondContact O-CB 3.38Å; R288-Y292 PolarHBondContact O-N 2.9Å; F289-Y292 WeakPolarHBondContact O-CB 3.43Å; F289-Y292 PolarHBondContact O-N 3.17Å; K290-Y292 VanDerWaalsContact C-N 3.32Å; K290-Y292 PolarHBondContact O-N 2.73Å; Y292-E294 VanDerWaalsContact C-N 3.3Å; Y292-E294 PolarHBondContact O-N 3.13Å; Y292-K295 WeakPolarHBondContact O-CB 3.43Å; Y292-K295 PolarHBondContact O-N 2.81Å; Y292-T296 WeakPolarHBondContact O-CB 3.28Å; Y292-T296 PolarHBondContact O-N 2.9Å; Y292-T296 PolarHBondContact O-OG1 3.12Å; Y292-T296 VanDerWaalsContact O-OG1 3.12Å; Y292-L338 HydrophobicContact CE1-CD2 4.03Å; Y292-L338 VanDerWaalsContact OH-CD2 3.26Å; Y292-L338 WeakPolarHBondContact OH-CD2 3.38Å; Y292-D341 WeakPolarHBondContact CE2-OD2 3.36Å; Y292-D341 VanDerWaalsContact CZ-OD2 3.25Å; Y292-D341 PolarHBondContact OH-OD2 3.42Å; Y292-T366 HydrophobicContact CE2-CG2 4.42Å; Y292-L370 VanDerWaalsContact CB-CD1 3.47Å; Y292-L370 HydrophobicContact CD1-CD1 3.91Å; Y292-L370 HydrophobicContact CD2-CD1 4.06Å; Y292-L370 HydrophobicContact CG-CD1 3.53Å
293	L	96.8	Very high	92.2	Very high	35 Å²	35	50 Å²	50	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-36	178.7	-73	-179.7	0	0	0	112.9	F289 K290 T296 Y297 I334 L412 Y416	F289-L293 HydrophobicContact CD1-CD1 4Å; F289-L293 HydrophobicContact CD1-CG 4.19Å; F289-L293 HydrophobicContact CE1-CD1 3.78Å; F289-L293 HydrophobicContact CE1-CD2 4.44Å; F289-L293 HydrophobicContact CE1-CG 3.97Å; F289-L293 PolarHBondContact O-N 3.15Å; K290-L293 PolarHBondContact O-N 3.41Å; L293-T296 PolarHBondContact O-N 2.89Å; L293-Y297 WeakPolarHBondContact O-CB 3.34Å; L293-Y297 PolarHBondContact O-N 3.4Å; L293-I334 HydrophobicContact CD2-CG2 4.38Å; L293-L412 HydrophobicContact CD2-CD2 4.31Å; L293-Y416 HydrophobicContact CD2-CE2 4.35Å
294	E	96.6	Very high	93.4	Very high	78 Å²	78	43.2 Å²	43.2	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-70.3	-38.2	176.5	-175.2	-178.3	162.5	0	0	112	M277 K290 H291 Y292 Y297 K298	M277-E294 HydrophobicContact CE-CB 3.87Å; M277-E294 HydrophobicContact CE-CG 3.83Å; M277-E294 HydrophobicContact SD-CG 4.33Å; K290-E294 WeakPolarHBondContact O-CB 3.24Å; K290-E294 PolarHBondContact O-N 3.39Å; H291-E294 PolarHBondContact O-N 3.26Å; Y292-E294 VanDerWaalsContact C-N 3.3Å; Y292-E294 PolarHBondContact O-N 3.13Å; E294-Y297 PolarHBondContact O-N 2.94Å; E294-K298 HydrophobicContact CG-CD 4.27Å; E294-K298 WeakPolarHBondContact O-CB 3.34Å; E294-K298 WeakPolarHBondContact O-CG 3.47Å; E294-K298 PolarHBondContact O-N 2.67Å; E294-K298 IonicContact OE1-NZ 3.19Å; E294-K298 PolarHBondContact OE1-NZ 3.38Å
295	K	95.3	Very high	94.1	Very high	32 Å²	32	39.3 Å²	39.3	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-49.9	169.8	-173.7	-157.2	69	161.6	0	110.7	M277 Q278 H291 Y292 Y297 K298 K299	M277-K295 HydrophobicContact CB-CG 4.43Å; M277-K295 HydrophobicContact CE-CB 4.23Å; Q278-K295 HydrophobicContact CG-CD 3.77Å; Q278-K295 HydrophobicContact CG-CG 4.5Å; H291-K295 WeakPolarHBondContact O-CB 3.42Å; H291-K295 PolarHBondContact O-N 2.87Å; Y292-K295 WeakPolarHBondContact O-CB 3.43Å; Y292-K295 PolarHBondContact O-N 2.81Å; K295-Y297 VanDerWaalsContact C-N 3.31Å; K295-Y297 PolarHBondContact O-N 3.35Å; K295-K298 PolarHBondContact O-N 2.83Å; K295-K298 VanDerWaalsContact O-N 3.09Å; K295-K299 PolarHBondContact O-N 3.15Å
296	T	96.4	Very high	94.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-40.5	178.6	-68.7	0	0	0	0	112	Y292 L293 T300 A301 I334 Q337	Y292-T296 WeakPolarHBondContact O-CB 3.28Å; Y292-T296 PolarHBondContact O-N 2.9Å; Y292-T296 PolarHBondContact O-OG1 3.12Å; Y292-T296 VanDerWaalsContact O-OG1 3.12Å; L293-T296 PolarHBondContact O-N 2.89Å; T296-T300 WeakPolarHBondContact O-CB 3.42Å; T296-T300 PolarHBondContact O-N 3.43Å; T296-A301 PolarHBondContact O-N 3.41Å; T296-I334 HydrophobicContact CG2-CG1 4.47Å; T296-I334 HydrophobicContact CG2-CG2 4.2Å; T296-Q337 HydrophobicContact CG2-CB 3.59Å; T296-Q337 HydrophobicContact CG2-CG 3.72Å
297	Y	98.4	Very high	95.6	Very high	31 Å²	31	30.6 Å²	30.6	12%	0.122	14%	0.139	C	C	.	.	I	π-helix	trans	-60.3	-54.6	169.7	171.2	-98.3	0	0	0	111.1	D270 L293 E294 K295 A301 S302 A305 H306 Y326 K330	D270-Y297 WeakPolarHBondContact OD2-CE1 3.28Å; D270-Y297 PolarHBondContact OD2-OH 3.45Å; L293-Y297 WeakPolarHBondContact O-CB 3.34Å; L293-Y297 PolarHBondContact O-N 3.4Å; E294-Y297 PolarHBondContact O-N 2.94Å; K295-Y297 VanDerWaalsContact C-N 3.31Å; K295-Y297 PolarHBondContact O-N 3.35Å; Y297-A301 HydrophobicContact CD2-CB 4.09Å; Y297-A301 CarbonylContact O-C 3.56Å; Y297-A301 PolarHBondContact O-N 3.19Å; Y297-S302 WeakPolarHBondContact O-CB 3.45Å; Y297-S302 PolarHBondContact O-N 3.34Å; Y297-A305 HydrophobicContact CE2-CB 4.5Å; Y297-H306 PolarHBondContact OH-CD2 2.87Å; Y297-H306 PolarHBondContact OH-NE2 3.5Å; Y297-H306 VanDerWaalsContact OH-NE2 3.12Å; Y297-Y326 PolarHBondContact OH-OH 3.28Å; Y297-Y326 VanDerWaalsContact OH-OH 3.06Å; Y297-K330 HydrophobicContact CD2-CD 4.19Å; Y297-K330 HydrophobicContact CD2-CG 3.9Å; Y297-K330 HydrophobicContact CE2-CD 4.07Å; Y297-K330 HydrophobicContact CE2-CG 3.96Å
298	K	97.7	Very high	96.1	Very high	26 Å²	26	25.5 Å²	25.5	11%	0.113	12%	0.115	C	C	.	.	I	π-helix	trans	-63.5	-46.8	-173.8	-84.8	169.7	177.7	167.4	0	114.5	D270 R273 M277 E294 K295 S302	D270-K298 HydrophobicContact CB-CB 4.44Å; D270-K298 HydrophobicContact CB-CG 4.15Å; D270-K298 WeakPolarHBondContact O-CB 3.47Å; R273-K298 HydrophobicContact CB-CD 3.99Å; M277-K298 HydrophobicContact SD-CD 3.59Å; M277-K298 VanDerWaalsContact SD-CD 3.59Å; M277-K298 PolarHBondContact SD-NZ 2.99Å; E294-K298 HydrophobicContact CG-CD 4.27Å; E294-K298 WeakPolarHBondContact O-CB 3.34Å; E294-K298 WeakPolarHBondContact O-CG 3.47Å; E294-K298 PolarHBondContact O-N 2.67Å; E294-K298 IonicContact OE1-NZ 3.19Å; E294-K298 PolarHBondContact OE1-NZ 3.38Å; K295-K298 PolarHBondContact O-N 2.83Å; K295-K298 VanDerWaalsContact O-N 3.09Å; K298-S302 PolarHBondContact O-OG 3.47Å
299	K	93.6	Very high	96.5	Very high	46 Å²	46	26.9 Å²	26.9	20%	0.2	12%	0.122	C	C	.	.	I	π-helix	trans	-79.6	-30.4	-176.5	-170.3	158.8	-175.6	159.1	0	113.4	D213 L271 E275 K295	D213-K299 VanDerWaalsContact CG-NZ 3.33Å; D213-K299 IonicContact OD1-NZ 3.56Å; D213-K299 PolarHBondContact OD1-NZ 2.97Å; D213-K299 WeakPolarHBondContact OD2-CE 3.29Å; D213-K299 IonicContact OD2-NZ 3.31Å; D213-K299 PolarHBondContact OD2-NZ 2.84Å; L271-K299 WeakPolarHBondContact CD2-O 3.28Å; E275-K299 IonicContact OE2-NZ 2.72Å; E275-K299 PolarHBondContact OE2-NZ 3.22Å; K295-K299 PolarHBondContact O-N 3.15Å
300	T	93.1	Very high	96.8	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.117	11%	0.114	C	C	.	.	I	π-helix	trans	-120.7	-51.3	-172.5	-52.7	0	0	0	0	114.1	T296 Q337	T296-T300 WeakPolarHBondContact O-CB 3.42Å; T296-T300 PolarHBondContact O-N 3.43Å; T300-Q337 HydrophobicContact CG2-CB 4.21Å; T300-Q337 PolarHBondContact OG1-OE1 3.32Å
301	A	97.9	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-85.7	-25.7	-168.8	0	0	0	0	0	115	T296 Y297 L303 M304 A305 I334	T296-A301 PolarHBondContact O-N 3.41Å; Y297-A301 HydrophobicContact CD2-CB 4.09Å; Y297-A301 CarbonylContact O-C 3.56Å; Y297-A301 PolarHBondContact O-N 3.19Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.81Å; A301-M304 PolarHBondContact O-N 2.99Å; A301-A305 WeakPolarHBondContact O-CB 3.25Å; A301-A305 PolarHBondContact O-N 3.26Å; A301-I334 HydrophobicContact CB-CG1 3.69Å
302	S	98.6	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-53.4	-50.8	-179.7	61.1	0	0	0	0	110.7	D270 Y297 K298 M304 A305 H306	D270-S302 WeakPolarHBondContact OD2-CB 3.37Å; Y297-S302 WeakPolarHBondContact O-CB 3.45Å; Y297-S302 PolarHBondContact O-N 3.34Å; K298-S302 PolarHBondContact O-OG 3.47Å; S302-M304 PolarHBondContact O-N 2.96Å; S302-A305 PolarHBondContact O-N 3.35Å; S302-H306 WeakPolarHBondContact O-CB 3.41Å; S302-H306 PolarHBondContact O-CD2 3.26Å; S302-H306 PolarHBondContact O-N 3.24Å
303	L	98.1	Very high	97.5	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	8%	0.082	C	C	.	.	H	α-helix	trans	-56.5	-48.1	177.8	177.7	61.3	0	0	0	112.5	S202 I205 H206 V267 A301 S307	S202-L303 WeakPolarHBondContact OG-CD1 3.2Å; I205-L303 HydrophobicContact CB-CD1 4.32Å; I205-L303 HydrophobicContact CG2-CD1 4.15Å; H206-L303 HydrophobicContact CB-CD2 3.83Å; V267-L303 HydrophobicContact CG1-CB 3.71Å; V267-L303 HydrophobicContact CG1-CD1 3.82Å; V267-L303 HydrophobicContact CG1-CG 4.33Å; A301-L303 VanDerWaalsContact C-N 3.34Å; A301-L303 PolarHBondContact O-N 2.81Å; L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.4Å; L303-S307 PolarHBondContact O-N 3.47Å; L303-S307 PolarHBondContact O-OG 3.45Å
304	M	98.1	Very high	97.6	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177	-71.7	-174.1	176.9	0	0	111.7	R170 I173 A301 S302 C308 G329 V332 G333	R170-M304 HydrophobicContact CG-CE 3.48Å; R170-M304 VanDerWaalsContact CG-CE 3.48Å; R170-M304 HydrophobicContact CG-CG 4Å; I173-M304 HydrophobicContact CD1-CE 4.14Å; I173-M304 HydrophobicContact CD1-SD 4.15Å; A301-M304 PolarHBondContact O-N 2.99Å; S302-M304 PolarHBondContact O-N 2.96Å; M304-C308 WeakPolarHBondContact O-CB 3.25Å; M304-C308 PolarHBondContact O-N 3.26Å; M304-C308 PolarHBondContact O-SG 2.85Å; M304-G329 WeakPolarHBondContact CB-O 3.5Å; M304-V332 HydrophobicContact SD-CG1 4.17Å; M304-G333 VanDerWaalsContact SD-CA 3.55Å
305	A	98.8	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-51	-179	0	0	0	0	0	112	Y297 A301 S302 C308 K309 Y326 K330	Y297-A305 HydrophobicContact CE2-CB 4.5Å; A301-A305 WeakPolarHBondContact O-CB 3.25Å; A301-A305 PolarHBondContact O-N 3.26Å; S302-A305 PolarHBondContact O-N 3.35Å; A305-C308 PolarHBondContact O-N 3Å; A305-K309 WeakPolarHBondContact O-CB 3.35Å; A305-K309 PolarHBondContact O-N 3.09Å; A305-Y326 HydrophobicContact CB-CD2 3.58Å; A305-Y326 HydrophobicContact CB-CE2 3.52Å; A305-Y326 HydrophobicContact CB-CG 4.38Å; A305-K330 HydrophobicContact CB-CB 3.77Å
306	H	98.7	Very high	97.5	Very high	18 Å²	18	15.2 Å²	15.2	8%	0.083	7%	0.074	C	C	.	.	H	α-helix	trans	-71.2	-37.2	-178.2	-77.3	-87.9	0	0	0	112.4	V263 V267 Y297 S302 K309 A310 Y326	V263-H306 HydrophobicContact CG1-CB 3.99Å; V263-H306 WeakPolarHBondContact CG1-O 3.33Å; V263-H306 WeakPolarHBondContact O-CB 3.42Å; V263-H306 PolarHBondContact O-ND1 2.95Å; V267-H306 HydrophobicContact CG2-CB 3.38Å; Y297-H306 PolarHBondContact OH-CD2 2.87Å; Y297-H306 PolarHBondContact OH-NE2 3.5Å; Y297-H306 VanDerWaalsContact OH-NE2 3.12Å; S302-H306 WeakPolarHBondContact O-CB 3.41Å; S302-H306 PolarHBondContact O-CD2 3.26Å; S302-H306 PolarHBondContact O-N 3.24Å; H306-K309 PolarHBondContact O-N 3.09Å; H306-A310 VanDerWaalsContact O-CB 3.28Å; H306-A310 WeakPolarHBondContact O-CB 3.42Å; H306-A310 PolarHBondContact O-N 2.97Å; H306-Y326 AromaticContact CD2-CE2 3.96Å; H306-Y326 AromaticContact NE2-CE2 3.74Å
307	S	98.6	Very high	97.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-38.9	172.9	-70.9	0	0	0	0	112.3	S202 L303 A310 V311	S202-S307 WeakPolarHBondContact CB-OG 3.5Å; S202-S307 PolarHBondContact OG-OG 3.19Å; L303-S307 VanDerWaalsContact O-CB 3.24Å; L303-S307 WeakPolarHBondContact O-CB 3.4Å; L303-S307 PolarHBondContact O-N 3.47Å; L303-S307 PolarHBondContact O-OG 3.45Å; S307-A310 PolarHBondContact O-N 2.78Å; S307-V311 PolarHBondContact O-N 2.75Å; S307-V311 VanDerWaalsContact O-N 3.1Å
308	C	98.8	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-43.3	171.9	-70.8	0	0	0	0	111.7	M177 M304 A305 V311 S312 A325	M177-C308 HydrophobicContact CE-CB 4.1Å; M177-C308 HydrophobicContact CG-CB 3.94Å; M304-C308 WeakPolarHBondContact O-CB 3.25Å; M304-C308 PolarHBondContact O-N 3.26Å; M304-C308 PolarHBondContact O-SG 2.85Å; A305-C308 PolarHBondContact O-N 3Å; C308-V311 VanDerWaalsContact O-CG2 3.25Å; C308-V311 WeakPolarHBondContact O-CG2 3.44Å; C308-S312 PolarHBondContact O-N 3.31Å; C308-A325 HydrophobicContact CB-CB 4.33Å; C308-A325 WeakPolarHBondContact CB-O 3.45Å; C308-A325 WeakPolarHBondContact O-CB 3.49Å
309	K	98.8	Very high	97.1	Very high	43 Å²	43	25.8 Å²	25.8	19%	0.187	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-48.3	174.5	-162.1	169.6	-157.1	148	0	111.3	V263 A305 H306 V311 S312 I313 H322 E323 Y326	V263-K309 HydrophobicContact CG1-CB 4.03Å; V263-K309 HydrophobicContact CG1-CD 4.4Å; V263-K309 HydrophobicContact CG1-CG 4.34Å; V263-K309 HydrophobicContact CG2-CD 4.44Å; A305-K309 WeakPolarHBondContact O-CB 3.35Å; A305-K309 PolarHBondContact O-N 3.09Å; H306-K309 PolarHBondContact O-N 3.09Å; K309-V311 PolarHBondContact O-N 3.18Å; K309-S312 PolarHBondContact O-N 3Å; K309-S312 VanDerWaalsContact O-N 3.15Å; K309-S312 PolarHBondContact O-OG 3.31Å; K309-I313 HydrophobicContact CG-CD1 4.14Å; K309-I313 WeakPolarHBondContact O-CG1 3.32Å; K309-I313 PolarHBondContact O-N 2.63Å; K309-I313 VanDerWaalsContact O-N 3.12Å; K309-H322 HydrophobicContact CG-CB 4.14Å; K309-E323 IonicContact NZ-OE2 2.71Å; K309-E323 PolarHBondContact NZ-OE2 2.91Å; K309-Y326 HydrophobicContact CB-CD2 4.39Å; K309-Y326 HydrophobicContact CD-CD2 4.03Å; K309-Y326 HydrophobicContact CD-CG 4.13Å
310	A	98.6	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-45.3	-179.5	0	0	0	0	0	113.3	I198 V260 V263 V264 H306 S307 S312 I313 L314	I198-A310 HydrophobicContact CD1-CB 4.04Å; I198-A310 HydrophobicContact CG1-CB 4.28Å; I198-A310 HydrophobicContact CG2-CB 4.01Å; V260-A310 HydrophobicContact CG1-CB 4.08Å; V263-A310 HydrophobicContact CG1-CB 4.35Å; V264-A310 HydrophobicContact CG2-CB 3.92Å; H306-A310 VanDerWaalsContact O-CB 3.28Å; H306-A310 WeakPolarHBondContact O-CB 3.42Å; H306-A310 PolarHBondContact O-N 2.97Å; S307-A310 PolarHBondContact O-N 2.78Å; A310-S312 VanDerWaalsContact C-N 3.26Å; A310-S312 PolarHBondContact O-N 2.91Å; A310-I313 PolarHBondContact O-N 3.03Å; A310-L314 PolarHBondContact O-N 3.13Å
311	V	98.6	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-26.5	178.6	-63	0	0	0	0	113.5	V174 M177 A178 Q195 I198 S307 C308 K309	V174-V311 HydrophobicContact CG1-CG1 3.62Å; M177-V311 HydrophobicContact CB-CG2 4.16Å; M177-V311 HydrophobicContact CG-CG2 3.78Å; A178-V311 HydrophobicContact CB-CB 3.76Å; A178-V311 HydrophobicContact CB-CG1 4.08Å; A178-V311 HydrophobicContact CB-CG2 3.96Å; Q195-V311 HydrophobicContact CB-CB 4.32Å; Q195-V311 HydrophobicContact CB-CG1 4.06Å; Q195-V311 HydrophobicContact CG-CB 4.01Å; Q195-V311 HydrophobicContact CG-CG1 4.24Å; Q195-V311 PolarHBondContact NE2-O 3.34Å; I198-V311 HydrophobicContact CB-CG1 3.87Å; I198-V311 HydrophobicContact CG2-CG1 3.66Å; S307-V311 PolarHBondContact O-N 2.75Å; S307-V311 VanDerWaalsContact O-N 3.1Å; C308-V311 VanDerWaalsContact O-CG2 3.25Å; C308-V311 WeakPolarHBondContact O-CG2 3.44Å; K309-V311 PolarHBondContact O-N 3.18Å
312	S	98.4	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-74.8	-37.4	174.2	75.9	0	0	0	0	112.8	C308 K309 A310 L314 V315 N316 H322	C308-S312 PolarHBondContact O-N 3.31Å; K309-S312 PolarHBondContact O-N 3Å; K309-S312 VanDerWaalsContact O-N 3.15Å; K309-S312 PolarHBondContact O-OG 3.31Å; A310-S312 VanDerWaalsContact C-N 3.26Å; A310-S312 PolarHBondContact O-N 2.91Å; S312-L314 PolarHBondContact O-N 3.16Å; S312-V315 PolarHBondContact O-N 3.05Å; S312-V315 VanDerWaalsContact O-N 3.14Å; S312-N316 PolarHBondContact O-N 2.88Å; S312-H322 PolarHBondContact O-CE1 3.36Å; S312-H322 WeakPolarHBondContact OG-CA 3.48Å; S312-H322 PolarHBondContact OG-ND1 2.9Å
313	I	98.4	Very high	97.5	Very high	29 Å²	29	32.6 Å²	32.6	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-27.1	175.9	-66.8	165	0	0	0	111.8	A259 V260 V263 K309 A310 V315 H322	A259-I313 HydrophobicContact CB-CG2 4.16Å; V260-I313 HydrophobicContact CG2-CB 3.94Å; V260-I313 HydrophobicContact CG2-CG2 3.66Å; V263-I313 HydrophobicContact CG2-CD1 3.93Å; K309-I313 HydrophobicContact CG-CD1 4.14Å; K309-I313 WeakPolarHBondContact O-CG1 3.32Å; K309-I313 PolarHBondContact O-N 2.63Å; K309-I313 VanDerWaalsContact O-N 3.12Å; A310-I313 PolarHBondContact O-N 3.03Å; I313-V315 VanDerWaalsContact C-N 3.26Å; I313-V315 PolarHBondContact O-N 3.42Å; I313-H322 VanDerWaalsContact CA-CE1 3.42Å; I313-H322 WeakPolarHBondContact CA-CE1 3.17Å; I313-H322 HydrophobicContact CG1-CB 4.49Å
314	L	97.9	Very high	97.5	Very high	39 Å²	39	32.6 Å²	32.6	20%	0.204	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.6	177.9	-68	175.8	0	0	0	114.7	Q195 I198 I255 N257 V260 A310 S312	Q195-L314 HydrophobicContact CG-CB 4.04Å; Q195-L314 HydrophobicContact CG-CD1 3.93Å; I198-L314 HydrophobicContact CG1-CD1 4.13Å; I255-L314 HydrophobicContact CG2-CD2 3.77Å; N257-L314 HydrophobicContact CB-CD2 4.33Å; V260-L314 HydrophobicContact CG2-CD2 3.87Å; V260-L314 HydrophobicContact CG2-CG 4Å; A310-L314 PolarHBondContact O-N 3.13Å; S312-L314 PolarHBondContact O-N 3.16Å
315	V	97.1	Very high	97.5	Very high	23 Å²	23	32.5 Å²	32.5	14%	0.139	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-20.3	-176	71.2	0	0	0	0	115.3	M181 N182 R187 L192 S312 I313	M181-V315 HydrophobicContact CB-CG1 3.7Å; N182-V315 WeakPolarHBondContact OD1-CB 3.35Å; N182-V315 WeakPolarHBondContact OD1-CG1 3.27Å; N182-V315 VanDerWaalsContact OD1-CG2 3.3Å; N182-V315 WeakPolarHBondContact OD1-CG2 3.43Å; R187-V315 HydrophobicContact CG-CG2 4.44Å; L192-V315 HydrophobicContact CD1-CB 4.11Å; L192-V315 HydrophobicContact CD1-CG2 4.15Å; S312-V315 PolarHBondContact O-N 3.05Å; S312-V315 VanDerWaalsContact O-N 3.14Å; I313-V315 VanDerWaalsContact C-N 3.26Å; I313-V315 PolarHBondContact O-N 3.42Å
316	N	92.6	Very high	97.5	Very high	35 Å²	35	34 Å²	34	19%	0.187	19%	0.185	C	C	.	.			trans	-124	158.3	179.4	-154.5	-60.2	0	0	0	109.8	S185 S312 D318 V321 H322	S185-N316 PolarHBondContact OG-ND2 3.21Å; S312-N316 PolarHBondContact O-N 2.88Å; N316-D318 VanDerWaalsContact OD1-CB 3.23Å; N316-D318 WeakPolarHBondContact OD1-CB 3.38Å; N316-D318 PolarHBondContact OD1-N 3.25Å; N316-V321 HydrophobicContact CB-CG1 4.18Å; N316-H322 PolarHBondContact O-CE1 3.35Å; N316-H322 PolarHBondContact O-NE2 2.88Å
317	S	92.3	Very high	97.6	Very high	114 Å²	114	35 Å²	35	80%	0.797	19%	0.19	S	C	*	.			trans	-113.9	-4.8	176.1	59	0	0	0	0	113.4	P319	S317-P319 WeakPolarHBondContact O-CD 3.41Å
318	D	96.1	Very high	97.6	Very high	70 Å²	70	35 Å²	35	37%	0.374	19%	0.19	S	C	.	.			trans	-79.5	116.4	-179.9	-176.3	-8.2	0	0	0	111	N316 E320 V321 H322	N316-D318 VanDerWaalsContact OD1-CB 3.23Å; N316-D318 WeakPolarHBondContact OD1-CB 3.38Å; N316-D318 PolarHBondContact OD1-N 3.25Å; D318-E320 PolarHBondContact O-N 2.93Å; D318-E320 WeakPolarHBondContact OD1-CB 3.3Å; D318-E320 PolarHBondContact OD1-N 3.31Å; D318-V321 HydrophobicContact CB-CB 4.17Å; D318-V321 HydrophobicContact CB-CG2 3.85Å; D318-V321 PolarHBondContact O-N 2.98Å; D318-V321 VanDerWaalsContact O-N 3.16Å; D318-H322 PolarHBondContact O-CD2 3.31Å; D318-H322 PolarHBondContact O-N 3.44Å
319	P	96.6	Very high	97.6	Very high	96 Å²	96	35 Å²	35	62%	0.623	19%	0.19	S	C	*	.	H	α-helix	trans	-58.7	-29.4	176.2	-23.5	35.4	0	0	0	114.1	S317 H322 E323	S317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-H322 PolarHBondContact O-N 3.43Å; P319-E323 PolarHBondContact O-N 3.34Å
320	E	96.9	Very high	97.6	Very high	119 Å²	119	35.8 Å²	35.8	56%	0.556	19%	0.193	S	C	*	.	H	α-helix	trans	-68	-38.6	177.3	-70.5	-156.2	-159.9	0	0	111.9	D318 H322 E323 I324 R426	D318-E320 PolarHBondContact O-N 2.93Å; D318-E320 WeakPolarHBondContact OD1-CB 3.3Å; D318-E320 PolarHBondContact OD1-N 3.31Å; E320-H322 VanDerWaalsContact C-N 3.31Å; E320-H322 PolarHBondContact O-N 3.44Å; E320-E323 PolarHBondContact O-N 2.89Å; E320-E323 VanDerWaalsContact O-N 3.16Å; E320-I324 WeakPolarHBondContact O-CG1 3.19Å; E320-I324 PolarHBondContact O-N 3.18Å; E320-R426 IonicContact OE2-NH2 2.76Å; E320-R426 PolarHBondContact OE2-NH2 3.18Å
321	V	96.9	Very high	97.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-39.1	175.8	175.5	0	0	0	0	110.6	M181 N316 D318 E323 I324 A325	M181-V321 HydrophobicContact CE-CG1 4.14Å; M181-V321 HydrophobicContact SD-CG1 3.34Å; M181-V321 WeakPolarHBondContact SD-CG1 3.44Å; N316-V321 HydrophobicContact CB-CG1 4.18Å; D318-V321 HydrophobicContact CB-CB 4.17Å; D318-V321 HydrophobicContact CB-CG2 3.85Å; D318-V321 PolarHBondContact O-N 2.98Å; D318-V321 VanDerWaalsContact O-N 3.16Å; V321-E323 VanDerWaalsContact C-N 3.3Å; V321-E323 PolarHBondContact O-N 3.5Å; V321-I324 PolarHBondContact O-N 3.34Å; V321-A325 PolarHBondContact O-N 2.95Å; V321-A325 VanDerWaalsContact O-N 3.14Å
322	H	98.3	Very high	97.6	Very high	21 Å²	21	36.3 Å²	36.3	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-36.4	173.2	-55.4	-28.5	0	0	0	112.6	K309 S312 I313 N316 D318 P319 E320 A325 Y326	K309-H322 HydrophobicContact CG-CB 4.14Å; S312-H322 PolarHBondContact O-CE1 3.36Å; S312-H322 WeakPolarHBondContact OG-CA 3.48Å; S312-H322 PolarHBondContact OG-ND1 2.9Å; I313-H322 VanDerWaalsContact CA-CE1 3.42Å; I313-H322 WeakPolarHBondContact CA-CE1 3.17Å; I313-H322 HydrophobicContact CG1-CB 4.49Å; N316-H322 PolarHBondContact O-CE1 3.35Å; N316-H322 PolarHBondContact O-NE2 2.88Å; D318-H322 PolarHBondContact O-CD2 3.31Å; D318-H322 PolarHBondContact O-N 3.44Å; P319-H322 PolarHBondContact O-N 3.43Å; E320-H322 VanDerWaalsContact C-N 3.31Å; E320-H322 PolarHBondContact O-N 3.44Å; H322-A325 PolarHBondContact O-N 3.3Å; H322-Y326 WeakPolarHBondContact O-CB 3.25Å; H322-Y326 PolarHBondContact O-N 3.27Å
323	E	98.6	Very high	97.5	Very high	63 Å²	63	36.3 Å²	36.3	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-74.8	-34.8	178.8	-164.9	57	-159.3	0	0	112.5	K309 P319 E320 V321 A325 Y326 Q327	K309-E323 IonicContact NZ-OE2 2.71Å; K309-E323 PolarHBondContact NZ-OE2 2.91Å; P319-E323 PolarHBondContact O-N 3.34Å; E320-E323 PolarHBondContact O-N 2.89Å; E320-E323 VanDerWaalsContact O-N 3.16Å; V321-E323 VanDerWaalsContact C-N 3.3Å; V321-E323 PolarHBondContact O-N 3.5Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.15Å; E323-Y326 PolarHBondContact O-N 2.93Å; E323-Y326 WeakPolarHBondContact OE1-CD1 3.35Å; E323-Q327 HydrophobicContact CG-CG 4.21Å; E323-Q327 WeakPolarHBondContact O-CB 3.5Å; E323-Q327 VanDerWaalsContact O-CG 3.25Å; E323-Q327 WeakPolarHBondContact O-CG 3.35Å; E323-Q327 PolarHBondContact O-N 3.43Å; E323-Q327 PolarHBondContact OE1-NE2 3.41Å
324	I	98.8	Very high	97.5	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-48.4	168.3	-70.1	162.4	0	0	0	110.5	E320 V321 Q327 Y328 Q423 R426 L427	E320-I324 WeakPolarHBondContact O-CG1 3.19Å; E320-I324 PolarHBondContact O-N 3.18Å; V321-I324 PolarHBondContact O-N 3.34Å; I324-Q327 PolarHBondContact O-N 2.67Å; I324-Y328 WeakPolarHBondContact O-CB 3.36Å; I324-Y328 PolarHBondContact O-N 2.76Å; I324-Q423 VanDerWaalsContact CG2-O 3.29Å; I324-Q423 WeakPolarHBondContact CG2-O 3.49Å; I324-R426 HydrophobicContact CD1-CB 3.71Å; I324-R426 HydrophobicContact CG1-CB 4.27Å; I324-L427 HydrophobicContact CB-CD2 4.46Å; I324-L427 HydrophobicContact CD1-CD2 4.26Å; I324-L427 HydrophobicContact CG2-CD1 4.4Å; I324-L427 HydrophobicContact CG2-CD2 3.79Å; I324-L427 HydrophobicContact CG2-CG 3.92Å
325	A	98.8	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-46.7	179.9	0	0	0	0	0	112	M177 M181 C308 V321 H322 E323 G329	M177-A325 HydrophobicContact CE-CB 4.35Å; M177-A325 HydrophobicContact CG-CB 4.42Å; M177-A325 HydrophobicContact SD-CB 3.92Å; M181-A325 HydrophobicContact CE-CB 3.64Å; C308-A325 HydrophobicContact CB-CB 4.33Å; C308-A325 WeakPolarHBondContact CB-O 3.45Å; C308-A325 WeakPolarHBondContact O-CB 3.49Å; V321-A325 PolarHBondContact O-N 2.95Å; V321-A325 VanDerWaalsContact O-N 3.14Å; H322-A325 PolarHBondContact O-N 3.3Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.15Å; A325-G329 PolarHBondContact O-N 3.25Å; A325-G329 VanDerWaalsContact O-N 3.12Å
326	Y	98.9	Very high	97.5	Very high	32 Å²	32	33.2 Å²	33.2	13%	0.125	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-49.5	178	175.7	-101.7	0	0	0	112.3	Y297 A305 H306 K309 H322 E323 Y328 G329 K330	Y297-Y326 PolarHBondContact OH-OH 3.28Å; Y297-Y326 VanDerWaalsContact OH-OH 3.06Å; A305-Y326 HydrophobicContact CB-CD2 3.58Å; A305-Y326 HydrophobicContact CB-CE2 3.52Å; A305-Y326 HydrophobicContact CB-CG 4.38Å; H306-Y326 AromaticContact CD2-CE2 3.96Å; H306-Y326 AromaticContact NE2-CE2 3.74Å; K309-Y326 HydrophobicContact CB-CD2 4.39Å; K309-Y326 HydrophobicContact CD-CD2 4.03Å; K309-Y326 HydrophobicContact CD-CG 4.13Å; H322-Y326 WeakPolarHBondContact O-CB 3.25Å; H322-Y326 PolarHBondContact O-N 3.27Å; E323-Y326 PolarHBondContact O-N 2.93Å; E323-Y326 WeakPolarHBondContact OE1-CD1 3.35Å; Y326-Y328 PolarHBondContact O-N 3.32Å; Y326-G329 PolarHBondContact O-N 3.44Å; Y326-K330 HydrophobicContact CE1-CD 4.12Å; Y326-K330 VanDerWaalsContact O-CB 3.29Å; Y326-K330 WeakPolarHBondContact O-CB 3.46Å; Y326-K330 PolarHBondContact O-N 3.38Å
327	Q	98.9	Very high	97.6	Very high	39 Å²	39	33.6 Å²	33.6	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-37.7	-179	-67.2	-66.3	-20.1	0	0	111.5	E323 I324 K330 N331 Q423	E323-Q327 HydrophobicContact CG-CG 4.21Å; E323-Q327 WeakPolarHBondContact O-CB 3.5Å; E323-Q327 VanDerWaalsContact O-CG 3.25Å; E323-Q327 WeakPolarHBondContact O-CG 3.35Å; E323-Q327 PolarHBondContact O-N 3.43Å; E323-Q327 PolarHBondContact OE1-NE2 3.41Å; I324-Q327 PolarHBondContact O-N 2.67Å; Q327-K330 PolarHBondContact O-N 3.49Å; Q327-N331 WeakPolarHBondContact O-CB 3.44Å; Q327-N331 PolarHBondContact O-N 3.01Å; Q327-N331 PolarHBondContact O-ND2 3.39Å; Q327-N331 PolarHBondContact OE1-ND2 2.86Å; Q327-Q423 HydrophobicContact CB-CB 4.41Å; Q327-Q423 HydrophobicContact CB-CG 3.79Å
328	Y	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-55.6	170.6	172.7	-91	0	0	0	111.2	I173 M177 I324 Y326 K330 N331 V332 A420 I424 L436 T440	I173-Y328 HydrophobicContact CG2-CE1 3.93Å; M177-Y328 HydrophobicContact CE-CD1 3.26Å; M177-Y328 HydrophobicContact CE-CE1 4.07Å; M177-Y328 HydrophobicContact CE-CG 3.69Å; I324-Y328 WeakPolarHBondContact O-CB 3.36Å; I324-Y328 PolarHBondContact O-N 2.76Å; Y326-Y328 PolarHBondContact O-N 3.32Å; Y328-K330 VanDerWaalsContact C-N 3.31Å; Y328-K330 PolarHBondContact O-N 3.14Å; Y328-N331 PolarHBondContact O-N 3.27Å; Y328-V332 HydrophobicContact CD1-CG1 4.39Å; Y328-V332 HydrophobicContact CE1-CG1 3.97Å; Y328-V332 WeakPolarHBondContact O-CG1 3.47Å; Y328-V332 PolarHBondContact O-N 3.45Å; Y328-A420 HydrophobicContact CD2-CB 3.97Å; Y328-A420 WeakPolarHBondContact CD2-O 2.94Å; Y328-A420 HydrophobicContact CE2-CB 4.28Å; Y328-I424 HydrophobicContact CD1-CD1 4.5Å; Y328-I424 HydrophobicContact CD2-CB 3.65Å; Y328-I424 HydrophobicContact CD2-CD1 4.06Å; Y328-I424 HydrophobicContact CD2-CG1 4.15Å; Y328-I424 HydrophobicContact CD2-CG2 4.06Å; Y328-I424 HydrophobicContact CE2-CB 4.2Å; Y328-I424 HydrophobicContact CE2-CG1 4.47Å; Y328-I424 HydrophobicContact CE2-CG2 4.22Å; Y328-I424 HydrophobicContact CG-CB 4.32Å; Y328-I424 HydrophobicContact CG-CD1 3.99Å; Y328-L436 HydrophobicContact CE1-CD2 3.78Å; Y328-L436 HydrophobicContact CE2-CB 4.09Å; Y328-L436 WeakPolarHBondContact OH-CD2 3.39Å; Y328-L436 PolarHBondContact OH-O 2.69Å; Y328-T440 WeakPolarHBondContact CE2-OG1 3.44Å; Y328-T440 PolarHBondContact OH-OG1 2.6Å
329	G	98.6	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-37.1	-177.7	0	0	0	0	0	113.3	M304 A325 Y326 G333	M304-G329 WeakPolarHBondContact CB-O 3.5Å; A325-G329 PolarHBondContact O-N 3.25Å; A325-G329 VanDerWaalsContact O-N 3.12Å; Y326-G329 PolarHBondContact O-N 3.44Å; G329-G333 PolarHBondContact O-N 2.92Å
330	K	98.8	Very high	97.6	Very high	59 Å²	59	23.2 Å²	23.2	26%	0.257	11%	0.11	S	C	.	.	H	α-helix	trans	-63.8	-52.3	174.8	176.2	176.4	178	-174.4	0	111.9	Y297 A305 Y326 Q327 Y328 G333 I334	Y297-K330 HydrophobicContact CD2-CD 4.19Å; Y297-K330 HydrophobicContact CD2-CG 3.9Å; Y297-K330 HydrophobicContact CE2-CD 4.07Å; Y297-K330 HydrophobicContact CE2-CG 3.96Å; A305-K330 HydrophobicContact CB-CB 3.77Å; Y326-K330 HydrophobicContact CE1-CD 4.12Å; Y326-K330 VanDerWaalsContact O-CB 3.29Å; Y326-K330 WeakPolarHBondContact O-CB 3.46Å; Y326-K330 PolarHBondContact O-N 3.38Å; Q327-K330 PolarHBondContact O-N 3.49Å; Y328-K330 VanDerWaalsContact C-N 3.31Å; Y328-K330 PolarHBondContact O-N 3.14Å; K330-G333 PolarHBondContact O-N 3.26Å; K330-I334 HydrophobicContact CG-CD1 4.03Å; K330-I334 WeakPolarHBondContact O-CG1 3.45Å; K330-I334 PolarHBondContact O-N 3.37Å
331	N	98.8	Very high	97.5	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.059	8%	0.084	C	C	.	.	H	α-helix	trans	-71.4	-41.2	-173.4	-72.6	-74.6	0	0	0	111	Q327 Y328 G333 I334 A335 Y416 E419 A420	Q327-N331 WeakPolarHBondContact O-CB 3.44Å; Q327-N331 PolarHBondContact O-N 3.01Å; Q327-N331 PolarHBondContact O-ND2 3.39Å; Q327-N331 PolarHBondContact OE1-ND2 2.86Å; Y328-N331 PolarHBondContact O-N 3.27Å; N331-G333 VanDerWaalsContact C-N 3.34Å; N331-G333 PolarHBondContact O-N 3.33Å; N331-I334 PolarHBondContact O-N 3.1Å; N331-A335 WeakPolarHBondContact O-CB 3.5Å; N331-A335 PolarHBondContact O-N 3.33Å; N331-Y416 HydrophobicContact CB-CD1 4.21Å; N331-Y416 WeakPolarHBondContact CB-O 3.46Å; N331-Y416 WeakPolarHBondContact OD1-CD1 3.21Å; N331-E419 HydrophobicContact CB-CG 4.42Å; N331-A420 HydrophobicContact CB-CB 3.85Å
332	V	98.1	Very high	97.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-35.5	174.4	77	0	0	0	0	112.2	I173 M304 Y328 A335 F336 A420 T440 V443	I173-V332 HydrophobicContact CD1-CG1 4.13Å; M304-V332 HydrophobicContact SD-CG1 4.17Å; Y328-V332 HydrophobicContact CD1-CG1 4.39Å; Y328-V332 HydrophobicContact CE1-CG1 3.97Å; Y328-V332 WeakPolarHBondContact O-CG1 3.47Å; Y328-V332 PolarHBondContact O-N 3.45Å; V332-A335 PolarHBondContact O-N 3.43Å; V332-F336 WeakPolarHBondContact O-CB 3.37Å; V332-F336 PolarHBondContact O-N 2.98Å; V332-A420 HydrophobicContact CB-CB 4.31Å; V332-T440 HydrophobicContact CG2-CG2 4.34Å; V332-V443 HydrophobicContact CG2-CG2 4.24Å
333	G	97.6	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.6	-36.6	176.6	0	0	0	0	0	114	M304 G329 K330 N331 Q337	M304-G333 VanDerWaalsContact SD-CA 3.55Å; G329-G333 PolarHBondContact O-N 2.92Å; K330-G333 PolarHBondContact O-N 3.26Å; N331-G333 VanDerWaalsContact C-N 3.34Å; N331-G333 PolarHBondContact O-N 3.33Å; G333-Q337 PolarHBondContact O-N 3.09Å
334	I	98.5	Very high	96.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-70.3	-44.6	173.3	-65.8	167.9	0	0	0	110.3	L293 T296 A301 K330 N331 F336 Q337 L338 Y416	L293-I334 HydrophobicContact CD2-CG2 4.38Å; T296-I334 HydrophobicContact CG2-CG1 4.47Å; T296-I334 HydrophobicContact CG2-CG2 4.2Å; A301-I334 HydrophobicContact CB-CG1 3.69Å; K330-I334 HydrophobicContact CG-CD1 4.03Å; K330-I334 WeakPolarHBondContact O-CG1 3.45Å; K330-I334 PolarHBondContact O-N 3.37Å; N331-I334 PolarHBondContact O-N 3.1Å; I334-F336 VanDerWaalsContact C-N 3.28Å; I334-F336 PolarHBondContact O-N 3.44Å; I334-Q337 PolarHBondContact O-N 3.2Å; I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.35Å; I334-L338 WeakPolarHBondContact O-CG 3.48Å; I334-L338 PolarHBondContact O-N 3.47Å; I334-Y416 HydrophobicContact CB-CD1 3.99Å; I334-Y416 HydrophobicContact CB-CE1 4.1Å; I334-Y416 HydrophobicContact CB-CG 4.22Å; I334-Y416 HydrophobicContact CD1-CD1 4.27Å; I334-Y416 HydrophobicContact CD1-CE1 3.68Å; I334-Y416 HydrophobicContact CG1-CE1 4.5Å; I334-Y416 HydrophobicContact CG2-CD1 3.92Å; I334-Y416 HydrophobicContact CG2-CD2 3.66Å; I334-Y416 HydrophobicContact CG2-CE1 3.82Å; I334-Y416 HydrophobicContact CG2-CE2 3.53Å; I334-Y416 HydrophobicContact CG2-CG 3.87Å
335	A	98.1	Very high	95.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-40.4	174.8	0	0	0	0	0	112.1	N331 V332 L338 V339 C417	N331-A335 WeakPolarHBondContact O-CB 3.5Å; N331-A335 PolarHBondContact O-N 3.33Å; V332-A335 PolarHBondContact O-N 3.43Å; A335-L338 PolarHBondContact O-N 3.42Å; A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 2.7Å; A335-V339 VanDerWaalsContact O-N 3.08Å; A335-C417 WeakPolarHBondContact CB-SG 3.37Å
336	F	95.7	Very high	95.3	Very high	22 Å²	22	18.9 Å²	18.9	10%	0.096	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-55.1	176.3	-169.2	-87.9	0	0	0	111.1	I169 V332 I334 L338 V339 D340 V443 R446	I169-F336 HydrophobicContact CD1-CE2 3.75Å; I169-F336 HydrophobicContact CD1-CZ 4.3Å; I169-F336 HydrophobicContact CG2-CE2 4.35Å; V332-F336 WeakPolarHBondContact O-CB 3.37Å; V332-F336 PolarHBondContact O-N 2.98Å; I334-F336 VanDerWaalsContact C-N 3.28Å; I334-F336 PolarHBondContact O-N 3.44Å; F336-L338 PolarHBondContact O-N 2.86Å; F336-V339 PolarHBondContact O-N 2.69Å; F336-V339 VanDerWaalsContact O-N 3.13Å; F336-D340 VanDerWaalsContact CD1-OD2 3.25Å; F336-D340 WeakPolarHBondContact CD1-OD2 3.47Å; F336-D340 WeakPolarHBondContact CE1-OD2 3.5Å; F336-D340 PolarHBondContact O-N 3.06Å; F336-V443 HydrophobicContact CB-CG1 4.06Å; F336-V443 HydrophobicContact CD2-CG1 3.99Å; F336-V443 HydrophobicContact CD2-CG2 3.96Å; F336-V443 HydrophobicContact CG-CG1 4.48Å; F336-R446 PolarHBondContact O-NH2 3.25Å
337	Q	96.1	Very high	94	Very high	43 Å²	43	20.2 Å²	20.2	20%	0.201	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-42	179.8	-170.6	63.5	57.2	0	0	112.4	T296 T300 G333 I334 V339 D340 D341	T296-Q337 HydrophobicContact CG2-CB 3.59Å; T296-Q337 HydrophobicContact CG2-CG 3.72Å; T300-Q337 HydrophobicContact CG2-CB 4.21Å; T300-Q337 PolarHBondContact OG1-OE1 3.32Å; G333-Q337 PolarHBondContact O-N 3.09Å; I334-Q337 PolarHBondContact O-N 3.2Å; Q337-V339 PolarHBondContact O-N 2.56Å; Q337-D340 PolarHBondContact O-N 3.45Å; Q337-D341 PolarHBondContact NE2-OD1 3.03Å; Q337-D341 VanDerWaalsContact O-CG 3.3Å; Q337-D341 PolarHBondContact O-N 3.02Å
338	L	97.3	Very high	91.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-30.9	176.4	-74.1	162.3	0	0	0	112.6	Y292 I334 A335 F336 V342 T409 L412 A413 Y416	Y292-L338 HydrophobicContact CE1-CD2 4.03Å; Y292-L338 VanDerWaalsContact OH-CD2 3.26Å; Y292-L338 WeakPolarHBondContact OH-CD2 3.38Å; I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.35Å; I334-L338 WeakPolarHBondContact O-CG 3.48Å; I334-L338 PolarHBondContact O-N 3.47Å; A335-L338 PolarHBondContact O-N 3.42Å; F336-L338 PolarHBondContact O-N 2.86Å; L338-V342 WeakPolarHBondContact O-CG2 3.11Å; L338-V342 PolarHBondContact O-N 3.36Å; L338-T409 HydrophobicContact CB-CG2 4.3Å; L338-T409 HydrophobicContact CD2-CG2 3.75Å; L338-L412 HydrophobicContact CD1-CB 4.46Å; L338-L412 HydrophobicContact CD1-CD2 4.25Å; L338-L412 HydrophobicContact CD1-CG 3.92Å; L338-L412 HydrophobicContact CD2-CD2 4.05Å; L338-L412 HydrophobicContact CD2-CG 4.46Å; L338-A413 HydrophobicContact CB-CB 3.74Å; L338-A413 HydrophobicContact CD1-CB 4.32Å; L338-Y416 HydrophobicContact CD1-CD2 3.53Å; L338-Y416 HydrophobicContact CD1-CE2 3.95Å; L338-Y416 HydrophobicContact CD1-CG 4.47Å
339	V	95.3	Very high	89.7	Confident	12 Å²	12	21.4 Å²	21.4	7%	0.073	13%	0.126	C	C	.	.	H	α-helix	trans	-78.5	-37.3	174.3	176.2	0	0	0	0	112	A335 F336 Q337 D341 V342 L343 A413 L444 R446	A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 2.7Å; A335-V339 VanDerWaalsContact O-N 3.08Å; F336-V339 PolarHBondContact O-N 2.69Å; F336-V339 VanDerWaalsContact O-N 3.13Å; Q337-V339 PolarHBondContact O-N 2.56Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-V342 PolarHBondContact O-N 3.07Å; V339-L343 HydrophobicContact CG1-CD1 4.07Å; V339-L343 HydrophobicContact CG1-CG 4.33Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.48Å; V339-L343 PolarHBondContact O-N 2.79Å; V339-A413 HydrophobicContact CG2-CB 3.93Å; V339-L444 HydrophobicContact CG2-CD1 4.34Å; V339-R446 HydrophobicContact CG1-CG 3.77Å
340	D	92.3	Very high	87.4	Confident	50 Å²	50	30.2 Å²	30.2	27%	0.267	17%	0.168	S	C	.	.	H	α-helix	trans	-59.9	-45.6	170.9	-74.4	-46.9	0	0	0	110.9	F336 Q337 V342 L343 D344 R446	F336-D340 VanDerWaalsContact CD1-OD2 3.25Å; F336-D340 WeakPolarHBondContact CD1-OD2 3.47Å; F336-D340 WeakPolarHBondContact CE1-OD2 3.5Å; F336-D340 PolarHBondContact O-N 3.06Å; Q337-D340 PolarHBondContact O-N 3.45Å; D340-V342 PolarHBondContact O-N 2.95Å; D340-L343 PolarHBondContact O-N 3.29Å; D340-D344 PolarHBondContact O-N 3.35Å; D340-R446 IonicContact OD1-CZ 3.39Å; D340-R446 IonicContact OD1-NH1 3.23Å; D340-R446 PolarHBondContact OD1-NH1 3.17Å; D340-R446 IonicContact OD1-NH2 2.69Å; D340-R446 PolarHBondContact OD1-NH2 3.08Å; D340-R446 IonicContact OD2-CZ 3.69Å; D340-R446 IonicContact OD2-NH1 3.52Å; D340-R446 IonicContact OD2-NH2 2.67Å; D340-R446 PolarHBondContact OD2-NH2 3.47Å
341	D	94.4	Very high	84.8	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-30.9	177.1	-68.8	20.7	0	0	0	112.1	Y292 Q337 V339 F345 T366 P368	Y292-D341 WeakPolarHBondContact CE2-OD2 3.36Å; Y292-D341 VanDerWaalsContact CZ-OD2 3.25Å; Y292-D341 PolarHBondContact OH-OD2 3.42Å; Q337-D341 PolarHBondContact NE2-OD1 3.03Å; Q337-D341 VanDerWaalsContact O-CG 3.3Å; Q337-D341 PolarHBondContact O-N 3.02Å; V339-D341 VanDerWaalsContact C-N 3.33Å; D341-F345 WeakPolarHBondContact O-CD2 3.33Å; D341-T366 HydrophobicContact CB-CG2 4.45Å; D341-T366 VanDerWaalsContact OD2-CB 3.26Å; D341-T366 WeakPolarHBondContact OD2-CB 3.45Å; D341-T366 WeakPolarHBondContact OD2-CG2 3.47Å; D341-P368 WeakPolarHBondContact O-CG 3.46Å
342	V	93.8	Very high	82.1	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.085	22%	0.224	C	C	.	.	H	α-helix	trans	-73.7	-41.7	171.3	160.6	0	0	0	0	111.3	L338 V339 D340 D344 F345 T346 P368 V406 T409	L338-V342 WeakPolarHBondContact O-CG2 3.11Å; L338-V342 PolarHBondContact O-N 3.36Å; V339-V342 PolarHBondContact O-N 3.07Å; D340-V342 PolarHBondContact O-N 2.95Å; V342-D344 VanDerWaalsContact C-N 3.32Å; V342-D344 PolarHBondContact O-N 3.19Å; V342-F345 PolarHBondContact O-N 2.95Å; V342-T346 HydrophobicContact CG1-CG2 4.11Å; V342-T346 PolarHBondContact O-N 3.13Å; V342-T346 PolarHBondContact O-OG1 3.07Å; V342-P368 HydrophobicContact CG2-CG 4.37Å; V342-V406 HydrophobicContact CG1-CG1 4Å; V342-V406 HydrophobicContact CG2-CG1 4.45Å; V342-T409 HydrophobicContact CG2-CG2 3.66Å
343	L	90.1	Very high	79.6	Confident	22 Å²	22	45 Å²	45	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-28.2	-177.7	-72.1	172.4	0	0	0	113.1	V339 D340 F345 T346 S347 R446	V339-L343 HydrophobicContact CG1-CD1 4.07Å; V339-L343 HydrophobicContact CG1-CG 4.33Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.48Å; V339-L343 PolarHBondContact O-N 2.79Å; D340-L343 PolarHBondContact O-N 3.29Å; L343-F345 PolarHBondContact O-N 3.43Å; L343-T346 PolarHBondContact O-N 3.46Å; L343-S347 WeakPolarHBondContact O-CB 3.49Å; L343-S347 PolarHBondContact O-N 3.37Å; L343-S347 PolarHBondContact O-OG 2.64Å; L343-R446 HydrophobicContact CD1-CG 4.27Å
344	D	88.6	Confident	77.4	Confident	27 Å²	27	52.6 Å²	52.6	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-25.8	171.3	-169.5	52	0	0	0	112.4	D340 V342 A357 A358 D359 W397	D340-D344 PolarHBondContact O-N 3.35Å; V342-D344 VanDerWaalsContact C-N 3.32Å; V342-D344 PolarHBondContact O-N 3.19Å; D344-A357 PolarHBondContact O-N 2.71Å; D344-A357 PolarHBondContact OD1-N 3.47Å; D344-A357 WeakPolarHBondContact OD2-CA 3.27Å; D344-A358 PolarHBondContact OD1-N 3.08Å; D344-A358 PolarHBondContact OD2-N 3.23Å; D344-A358 VanDerWaalsContact OD2-N 3.08Å; D344-D359 PolarHBondContact OD2-N 3.39Å; D344-W397 WeakPolarHBondContact O-CZ3 3.36Å
345	F	87.1	Confident	75.3	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-93.9	-37.4	176.7	-71.2	-92.2	0	0	0	113.9	D341 V342 L343 L360 P368 V369 W397 V400 V406	D341-F345 WeakPolarHBondContact O-CD2 3.33Å; V342-F345 PolarHBondContact O-N 2.95Å; L343-F345 PolarHBondContact O-N 3.43Å; F345-L360 HydrophobicContact CE1-CD1 3.99Å; F345-L360 HydrophobicContact CZ-CD1 4.01Å; F345-L360 HydrophobicContact CZ-CG 4.14Å; F345-P368 HydrophobicContact CD2-CB 4.05Å; F345-P368 HydrophobicContact CD2-CG 3.93Å; F345-P368 HydrophobicContact CE2-CB 4.18Å; F345-P368 HydrophobicContact CE2-CG 4.23Å; F345-P368 HydrophobicContact CG-CB 4.46Å; F345-V369 HydrophobicContact CE1-CG2 4.34Å; F345-V369 HydrophobicContact CE2-CG2 4.1Å; F345-V369 HydrophobicContact CZ-CG2 3.48Å; F345-V369 VanDerWaalsContact CZ-CG2 3.48Å; F345-W397 HydrophobicContact CB-CH2 4.39Å; F345-W397 HydrophobicContact CB-CZ3 4.22Å; F345-W397 HydrophobicContact CD1-CD2 4.19Å; F345-W397 AromaticContact CD1-CE3 3.4Å; F345-W397 HydrophobicContact CD1-CE3 3.4Å; F345-W397 VanDerWaalsContact CD1-CE3 3.4Å; F345-W397 HydrophobicContact CD1-CH2 4.33Å; F345-W397 AromaticContact CD1-CZ3 3.51Å; F345-W397 HydrophobicContact CD1-CZ3 3.51Å; F345-W397 HydrophobicContact CE1-CD2 4.46Å; F345-W397 AromaticContact CE1-CE3 3.59Å; F345-W397 HydrophobicContact CE1-CE3 3.59Å; F345-W397 HydrophobicContact CE1-CZ3 4.03Å; F345-W397 HydrophobicContact CG-CE3 4.34Å; F345-W397 AromaticContact CG-CZ3 4Å; F345-W397 HydrophobicContact CG-CZ3 4Å; F345-W397 WeakPolarHBondContact O-CH2 3.41Å; F345-W397 WeakPolarHBondContact O-CZ2 3.33Å; F345-V400 HydrophobicContact CD1-CB 4.02Å; F345-V400 HydrophobicContact CD1-CG1 3.59Å; F345-V400 HydrophobicContact CD1-CG2 4.36Å; F345-V400 HydrophobicContact CE1-CB 3.91Å; F345-V400 HydrophobicContact CE1-CG1 3.88Å; F345-V400 HydrophobicContact CE1-CG2 3.79Å; F345-V400 HydrophobicContact CG-CG1 4.12Å; F345-V400 HydrophobicContact CZ-CG2 4.28Å; F345-V406 HydrophobicContact CB-CG2 4.32Å
346	T	84.4	Confident	73.6	Confident	56 Å²	56	55.7 Å²	55.7	34%	0.344	32%	0.318	S	S	.	.	H	α-helix	trans	-87.2	-38.1	-175.5	58	0	0	0	0	113.6	V342 L343 G348 A349 V406	V342-T346 HydrophobicContact CG1-CG2 4.11Å; V342-T346 PolarHBondContact O-N 3.13Å; V342-T346 PolarHBondContact O-OG1 3.07Å; L343-T346 PolarHBondContact O-N 3.46Å; T346-G348 VanDerWaalsContact C-N 3.28Å; T346-G348 PolarHBondContact O-N 2.96Å; T346-A349 PolarHBondContact O-N 3Å; T346-A349 VanDerWaalsContact O-N 3.12Å; T346-V406 HydrophobicContact CG2-CG1 4.01Å
347	S	72.8	Confident	72.6	Confident	61 Å²	61	54.7 Å²	54.7	43%	0.427	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.7	-169.1	-48.8	0	0	0	0	114.3	L343	L343-S347 WeakPolarHBondContact O-CB 3.49Å; L343-S347 PolarHBondContact O-N 3.37Å; L343-S347 PolarHBondContact O-OG 2.64Å
348	G	54.3	Low	72	Confident	9 Å²	9	55 Å²	55	9%	0.093	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.4	176.6	0	0	0	0	0	114.5	T346 L352	T346-G348 VanDerWaalsContact C-N 3.28Å; T346-G348 PolarHBondContact O-N 2.96Å; G348-L352 PolarHBondContact O-N 3.12Å
349	A	52.2	Low	71.6	Confident	54 Å²	54	56.4 Å²	56.4	45%	0.446	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.6	-172.3	0	0	0	0	0	112.6	T346	T346-A349 PolarHBondContact O-N 3Å; T346-A349 VanDerWaalsContact O-N 3.12Å
350	E	51.4	Low	71.3	Confident	186 Å²	186	55.9 Å²	55.9	87%	0.869	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.4	-177.2	-64.6	-168.3	156	0	0	114.4
351	Q	43.6	Very low	71.1	Confident	165 Å²	165	59.6 Å²	59.6	77%	0.771	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-28.2	-169.3	-68.5	-168	-6.6	0	0	115.9
352	L	42.3	Very low	70.8	Confident	138 Å²	138	63.3 Å²	63.3	72%	0.723	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-8.1	-164.7	-75.3	171.3	0	0	0	116.5	G348 K354	G348-L352 PolarHBondContact O-N 3.12Å; L352-K354 PolarHBondContact O-N 3.2Å
353	G	46.6	Very low	70.6	Confident	77 Å²	77	63.1 Å²	63.1	79%	0.794	36%	0.362	S	S	*	.	S	Bend	trans	58.4	18.6	-178.2	0	0	0	0	0	114.2
354	K	50.2	Low	70.5	Confident	160 Å²	160	63.1 Å²	63.1	70%	0.696	36%	0.362	S	S	*	.	S	Bend	trans	-131.7	145	-179.4	-75.9	-175.5	178.5	178.5	0	110	L352 A356	L352-K354 PolarHBondContact O-N 3.2Å; K354-A356 PolarHBondContact O-N 3.07Å
355	P	53.9	Low	70.8	Confident	31 Å²	31	62.9 Å²	62.9	20%	0.201	36%	0.364	C	S	.	.			trans	-67.5	119.4	-178.6	27.4	-34.7	0	0	0	111.5	A357 K361 W397	P355-A357 HydrophobicContact CB-CB 3.69Å; P355-K361 PolarHBondContact O-NZ 2.89Å; P355-W397 HydrophobicContact CB-CB 4.49Å; P355-W397 HydrophobicContact CB-CD2 3.57Å; P355-W397 HydrophobicContact CB-CE3 3.75Å; P355-W397 HydrophobicContact CB-CG 3.92Å; P355-W397 HydrophobicContact CB-CH2 4.34Å; P355-W397 HydrophobicContact CB-CZ2 4.23Å; P355-W397 HydrophobicContact CB-CZ3 4.12Å
356	A	63.3	Low	71.1	Confident	39 Å²	39	62.9 Å²	62.9	32%	0.322	36%	0.364	S	S	.	.			trans	-61.8	-60.1	167	0	0	0	0	0	108.4	K354 A358 K361	K354-A356 PolarHBondContact O-N 3.07Å; A356-A358 PolarHBondContact O-N 3.04Å; A356-K361 PolarHBondContact O-NZ 3.42Å
357	A	75.4	Confident	71.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.348	C	S	.	.			trans	44.7	42.2	156.7	0	0	0	0	0	114.1	D344 P355 D359 L360 K361 V393 W397	D344-A357 PolarHBondContact O-N 2.71Å; D344-A357 PolarHBondContact OD1-N 3.47Å; D344-A357 WeakPolarHBondContact OD2-CA 3.27Å; P355-A357 HydrophobicContact CB-CB 3.69Å; A357-D359 VanDerWaalsContact C-N 3.28Å; A357-D359 PolarHBondContact O-N 3.43Å; A357-L360 HydrophobicContact CB-CB 4.28Å; A357-L360 HydrophobicContact CB-CD1 4.22Å; A357-L360 PolarHBondContact O-N 2.8Å; A357-K361 WeakPolarHBondContact O-CD 3.32Å; A357-K361 VanDerWaalsContact O-CG 3.32Å; A357-K361 WeakPolarHBondContact O-CG 3.43Å; A357-K361 PolarHBondContact O-N 3.29Å; A357-K361 VanDerWaalsContact O-N 3.17Å; A357-V393 HydrophobicContact CB-CG1 4.28Å; A357-W397 HydrophobicContact CB-CE3 3.66Å; A357-W397 HydrophobicContact CB-CZ3 3.75Å
358	A	82.6	Confident	72.8	Confident	49 Å²	49	57.3 Å²	57.3	41%	0.405	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-41.5	-177.5	0	0	0	0	0	109.7	D344 A356 L360 K361 L362	D344-A358 PolarHBondContact OD1-N 3.08Å; D344-A358 PolarHBondContact OD2-N 3.23Å; D344-A358 VanDerWaalsContact OD2-N 3.08Å; A356-A358 PolarHBondContact O-N 3.04Å; A358-L360 PolarHBondContact O-N 3.14Å; A358-K361 PolarHBondContact O-N 2.85Å; A358-L362 WeakPolarHBondContact O-CG 3.46Å; A358-L362 PolarHBondContact O-N 2.96Å
359	D	88.6	Confident	74.8	Confident	31 Å²	31	56.9 Å²	56.9	17%	0.166	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-46.3	178.6	-74.7	-26.2	0	0	0	112.1	D344 A357 K361 L362 G363 L364 T366	D344-D359 PolarHBondContact OD2-N 3.39Å; A357-D359 VanDerWaalsContact C-N 3.28Å; A357-D359 PolarHBondContact O-N 3.43Å; D359-K361 VanDerWaalsContact C-N 3.3Å; D359-K361 PolarHBondContact O-N 2.98Å; D359-L362 CarbonylContact O-C 3.56Å; D359-L362 PolarHBondContact O-N 3.32Å; D359-L362 VanDerWaalsContact O-N 3.17Å; D359-G363 PolarHBondContact O-N 3.26Å; D359-G363 VanDerWaalsContact O-N 3.16Å; D359-L364 HydrophobicContact CB-CB 4.19Å; D359-L364 WeakPolarHBondContact O-CB 3.23Å; D359-L364 PolarHBondContact O-N 2.92Å; D359-T366 HydrophobicContact CB-CG2 4.21Å; D359-T366 WeakPolarHBondContact OD2-CG2 3.36Å; D359-T366 PolarHBondContact OD2-OG1 3.32Å
360	L	90.6	Very high	76.9	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-37.1	178.4	-69.5	178.8	0	0	0	111.8	F345 A357 A358 L362 G363 V369 F387 V393 A396 W397	F345-L360 HydrophobicContact CE1-CD1 3.99Å; F345-L360 HydrophobicContact CZ-CD1 4.01Å; F345-L360 HydrophobicContact CZ-CG 4.14Å; A357-L360 HydrophobicContact CB-CB 4.28Å; A357-L360 HydrophobicContact CB-CD1 4.22Å; A357-L360 PolarHBondContact O-N 2.8Å; A358-L360 PolarHBondContact O-N 3.14Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L360-G363 PolarHBondContact O-N 3.41Å; L360-V369 HydrophobicContact CD2-CG1 4.46Å; L360-V369 HydrophobicContact CD2-CG2 3.85Å; L360-F387 HydrophobicContact CD2-CD1 4.11Å; L360-F387 HydrophobicContact CD2-CD2 3.89Å; L360-F387 HydrophobicContact CD2-CE1 3.83Å; L360-F387 HydrophobicContact CD2-CE2 3.58Å; L360-F387 HydrophobicContact CD2-CG 4.17Å; L360-F387 HydrophobicContact CD2-CZ 3.56Å; L360-V393 HydrophobicContact CB-CG1 3.91Å; L360-V393 HydrophobicContact CB-CG2 4.26Å; L360-V393 HydrophobicContact CD1-CG1 4.35Å; L360-A396 HydrophobicContact CD1-CB 4.16Å; L360-A396 HydrophobicContact CD2-CB 4.26Å; L360-W397 HydrophobicContact CD1-CB 4.37Å
361	K	88	Confident	79.1	Confident	127 Å²	127	47.1 Å²	47.1	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-68.8	-31.2	176.3	-68.7	162.6	-170.7	161	0	112.4	P355 A356 A357 A358 D359 G363 V393	P355-K361 PolarHBondContact O-NZ 2.89Å; A356-K361 PolarHBondContact O-NZ 3.42Å; A357-K361 WeakPolarHBondContact O-CD 3.32Å; A357-K361 VanDerWaalsContact O-CG 3.32Å; A357-K361 WeakPolarHBondContact O-CG 3.43Å; A357-K361 PolarHBondContact O-N 3.29Å; A357-K361 VanDerWaalsContact O-N 3.17Å; A358-K361 PolarHBondContact O-N 2.85Å; D359-K361 VanDerWaalsContact C-N 3.3Å; D359-K361 PolarHBondContact O-N 2.98Å; K361-G363 PolarHBondContact O-N 3.03Å; K361-V393 HydrophobicContact CG-CG1 4.32Å
362	L	86.3	Confident	81.6	Confident	81 Å²	81	39.2 Å²	39.2	42%	0.424	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2	170.4	-64	171.2	0	0	0	113	A358 D359 L360 L364 R386	A358-L362 WeakPolarHBondContact O-CG 3.46Å; A358-L362 PolarHBondContact O-N 2.96Å; D359-L362 CarbonylContact O-C 3.56Å; D359-L362 PolarHBondContact O-N 3.32Å; D359-L362 VanDerWaalsContact O-N 3.17Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L362-L364 HydrophobicContact CB-CD1 4.09Å; L362-L364 HydrophobicContact CB-CG 4Å; L362-L364 HydrophobicContact CD1-CD1 4.49Å; L362-R386 PolarHBondContact O-NH2 3.06Å
363	G	89.4	Confident	84.1	Confident	10 Å²	10	33 Å²	33	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	23.1	179	0	0	0	0	0	113.8	D359 L360 K361 R386	D359-G363 PolarHBondContact O-N 3.26Å; D359-G363 VanDerWaalsContact O-N 3.16Å; L360-G363 PolarHBondContact O-N 3.41Å; K361-G363 PolarHBondContact O-N 3.03Å; G363-R386 VanDerWaalsContact CA-O 3.25Å; G363-R386 WeakPolarHBondContact CA-O 3.42Å
364	L	89.9	Confident	86.3	Confident	23 Å²	23	34.3 Å²	34.3	12%	0.12	19%	0.185	C	C	.	.			trans	-98.1	138.3	-176.6	-55	178.3	0	0	0	111.1	D359 L362	D359-L364 HydrophobicContact CB-CB 4.19Å; D359-L364 WeakPolarHBondContact O-CB 3.23Å; D359-L364 PolarHBondContact O-N 2.92Å; L362-L364 VanDerWaalsContact C-N 3.33Å; L362-L364 HydrophobicContact CB-CD1 4.09Å; L362-L364 HydrophobicContact CB-CG 4Å; L362-L364 HydrophobicContact CD1-CD1 4.49Å
365	A	93.1	Very high	88.5	Confident	22 Å²	22	31.1 Å²	31.1	18%	0.182	17%	0.172	C	C	.	.			trans	-107.2	107	171.8	0	0	0	0	0	109.2	V369 L370 I383 F387	A365-V369 HydrophobicContact CB-CB 4.47Å; A365-V369 HydrophobicContact CB-CG1 4.28Å; A365-L370 HydrophobicContact CB-CD2 3.96Å; A365-L370 HydrophobicContact CB-CG 4.47Å; A365-I383 HydrophobicContact CB-CB 4.48Å; A365-I383 HydrophobicContact CB-CD1 4.26Å; A365-I383 HydrophobicContact CB-CG1 3.88Å; A365-I383 HydrophobicContact CB-CG2 3.85Å; A365-F387 HydrophobicContact CB-CE2 4.27Å; A365-F387 HydrophobicContact CB-CZ 4.33Å
366	T	94.8	Very high	90.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.171	C	C	.	.			trans	-97.8	177.3	179.9	45.9	0	0	0	0	112.1	Y292 D341 D359 P368 V369 L370	Y292-T366 HydrophobicContact CE2-CG2 4.42Å; D341-T366 HydrophobicContact CB-CG2 4.45Å; D341-T366 VanDerWaalsContact OD2-CB 3.26Å; D341-T366 WeakPolarHBondContact OD2-CB 3.45Å; D341-T366 WeakPolarHBondContact OD2-CG2 3.47Å; D359-T366 HydrophobicContact CB-CG2 4.21Å; D359-T366 WeakPolarHBondContact OD2-CG2 3.36Å; D359-T366 PolarHBondContact OD2-OG1 3.32Å; T366-P368 VanDerWaalsContact O-N 3.17Å; T366-V369 WeakPolarHBondContact O-CB 3.32Å; T366-V369 PolarHBondContact O-N 3.06Å; T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.84Å
367	G	96.3	Very high	92	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-41.2	-52.9	-174.4	0	0	0	0	0	114.8	V369 L370 F371 T409	G367-V369 VanDerWaalsContact C-N 3.31Å; G367-V369 PolarHBondContact O-N 2.83Å; G367-L370 PolarHBondContact O-N 2.91Å; G367-F371 WeakPolarHBondContact O-CD2 3.47Å; G367-F371 PolarHBondContact O-N 2.74Å; G367-T409 PolarHBondContact O-OG1 3.07Å
368	P	96.6	Very high	92.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-37.6	-177.1	-25.3	36.2	0	0	0	113.2	D341 V342 F345 T366 A372 V400 V406 T409	D341-P368 WeakPolarHBondContact O-CG 3.46Å; V342-P368 HydrophobicContact CG2-CG 4.37Å; F345-P368 HydrophobicContact CD2-CB 4.05Å; F345-P368 HydrophobicContact CD2-CG 3.93Å; F345-P368 HydrophobicContact CE2-CB 4.18Å; F345-P368 HydrophobicContact CE2-CG 4.23Å; F345-P368 HydrophobicContact CG-CB 4.46Å; T366-P368 VanDerWaalsContact O-N 3.17Å; P368-A372 WeakPolarHBondContact O-CB 3.39Å; P368-A372 PolarHBondContact O-N 2.98Å; P368-V400 HydrophobicContact CB-CG1 3.8Å; P368-V406 HydrophobicContact CB-CG2 4.16Å; P368-T409 WeakPolarHBondContact CA-OG1 3.44Å; P368-T409 WeakPolarHBondContact CD-OG1 3.37Å; P368-T409 HydrophobicContact CG-CG2 4.26Å
369	V	96.2	Very high	93.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-38.8	178.2	-171	0	0	0	0	111.3	F345 L360 A365 T366 G367 A372 C373 L379 I383 F387 V400	F345-V369 HydrophobicContact CE1-CG2 4.34Å; F345-V369 HydrophobicContact CE2-CG2 4.1Å; F345-V369 HydrophobicContact CZ-CG2 3.48Å; F345-V369 VanDerWaalsContact CZ-CG2 3.48Å; L360-V369 HydrophobicContact CD2-CG1 4.46Å; L360-V369 HydrophobicContact CD2-CG2 3.85Å; A365-V369 HydrophobicContact CB-CB 4.47Å; A365-V369 HydrophobicContact CB-CG1 4.28Å; T366-V369 WeakPolarHBondContact O-CB 3.32Å; T366-V369 PolarHBondContact O-N 3.06Å; G367-V369 VanDerWaalsContact C-N 3.31Å; G367-V369 PolarHBondContact O-N 2.83Å; V369-A372 PolarHBondContact O-N 2.97Å; V369-C373 WeakPolarHBondContact O-CB 3.24Å; V369-C373 PolarHBondContact O-N 3.37Å; V369-L379 HydrophobicContact CG1-CD2 4.25Å; V369-I383 HydrophobicContact CG1-CD1 4.26Å; V369-I383 HydrophobicContact CG1-CG1 4.37Å; V369-F387 HydrophobicContact CG1-CE1 4.48Å; V369-F387 HydrophobicContact CG1-CZ 3.92Å; V369-V400 HydrophobicContact CB-CG2 4.41Å; V369-V400 HydrophobicContact CG2-CG2 4.05Å
370	L	95.8	Very high	93.6	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-70.1	-40.7	-179.2	-64.6	177.6	0	0	0	111.9	R288 F289 Y292 A365 T366 G367 C373 I383	R288-L370 VanDerWaalsContact CD-CD2 3.44Å; R288-L370 HydrophobicContact CG-CD2 3.71Å; F289-L370 HydrophobicContact CD2-CB 3.91Å; F289-L370 HydrophobicContact CD2-CD1 4.21Å; F289-L370 HydrophobicContact CE2-CB 4.15Å; Y292-L370 VanDerWaalsContact CB-CD1 3.47Å; Y292-L370 HydrophobicContact CD1-CD1 3.91Å; Y292-L370 HydrophobicContact CD2-CD1 4.06Å; Y292-L370 HydrophobicContact CG-CD1 3.53Å; A365-L370 HydrophobicContact CB-CD2 3.96Å; A365-L370 HydrophobicContact CB-CG 4.47Å; T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.84Å; G367-L370 PolarHBondContact O-N 2.91Å; L370-C373 WeakPolarHBondContact O-CB 3.3Å; L370-C373 PolarHBondContact O-N 3.38Å; L370-I383 HydrophobicContact CD2-CD1 4.42Å
371	F	97	Very high	93.7	Very high	26 Å²	26	40.9 Å²	40.9	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-41.7	171.2	-75.4	-65.4	0	0	0	112	F289 G367 C373 Q374 Q408 T409 L412	F289-F371 HydrophobicContact CE1-CZ 4.39Å; F289-F371 HydrophobicContact CE2-CD1 4.3Å; F289-F371 HydrophobicContact CE2-CD2 4.01Å; F289-F371 AromaticContact CE2-CE1 3.96Å; F289-F371 HydrophobicContact CE2-CE1 3.96Å; F289-F371 AromaticContact CE2-CE2 3.66Å; F289-F371 HydrophobicContact CE2-CE2 3.66Å; F289-F371 HydrophobicContact CE2-CG 4.33Å; F289-F371 AromaticContact CE2-CZ 3.64Å; F289-F371 HydrophobicContact CE2-CZ 3.64Å; F289-F371 HydrophobicContact CZ-CD2 4.36Å; F289-F371 HydrophobicContact CZ-CE1 4.05Å; F289-F371 AromaticContact CZ-CE2 3.55Å; F289-F371 HydrophobicContact CZ-CE2 3.55Å; F289-F371 AromaticContact CZ-CZ 3.37Å; F289-F371 HydrophobicContact CZ-CZ 3.37Å; G367-F371 WeakPolarHBondContact O-CD2 3.47Å; G367-F371 PolarHBondContact O-N 2.74Å; F371-C373 PolarHBondContact O-N 2.89Å; F371-Q374 VanDerWaalsContact O-CB 3.3Å; F371-Q374 WeakPolarHBondContact O-CB 3.5Å; F371-Q374 PolarHBondContact O-N 2.64Å; F371-Q408 HydrophobicContact CB-CB 3.99Å; F371-Q408 HydrophobicContact CB-CG 4.5Å; F371-Q408 HydrophobicContact CD1-CB 3.7Å; F371-Q408 HydrophobicContact CD1-CG 4.22Å; F371-Q408 HydrophobicContact CD2-CB 3.63Å; F371-Q408 HydrophobicContact CE1-CB 3.98Å; F371-Q408 HydrophobicContact CE2-CB 3.9Å; F371-Q408 HydrophobicContact CG-CB 3.51Å; F371-Q408 HydrophobicContact CG-CG 4.31Å; F371-Q408 HydrophobicContact CZ-CB 4.06Å; F371-T409 WeakPolarHBondContact CD2-OG1 3.48Å; F371-L412 HydrophobicContact CE2-CD2 4.26Å; F371-L412 HydrophobicContact CZ-CD2 4.19Å
372	A	96.7	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-32.8	175.2	0	0	0	0	0	112.6	P368 V369 Q374 Q375 F376 L379 V400 S403	P368-A372 WeakPolarHBondContact O-CB 3.39Å; P368-A372 PolarHBondContact O-N 2.98Å; V369-A372 PolarHBondContact O-N 2.97Å; A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.16Å; A372-Q375 PolarHBondContact O-N 3.1Å; A372-F376 PolarHBondContact O-N 3.27Å; A372-L379 HydrophobicContact CB-CD1 3.6Å; A372-V400 HydrophobicContact CB-CB 4.47Å; A372-V400 HydrophobicContact CB-CG2 3.87Å; A372-S403 VanDerWaalsContact CB-OG 3.27Å; A372-S403 WeakPolarHBondContact CB-OG 3.42Å
373	C	95.1	Very high	94.4	Very high	8 Å²	8	32 Å²	32	5%	0.054	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-18.9	177.1	-165.8	0	0	0	0	113.8	V369 L370 F371 L379 I383	V369-C373 WeakPolarHBondContact O-CB 3.24Å; V369-C373 PolarHBondContact O-N 3.37Å; L370-C373 WeakPolarHBondContact O-CB 3.3Å; L370-C373 PolarHBondContact O-N 3.38Å; F371-C373 PolarHBondContact O-N 2.89Å; C373-L379 HydrophobicContact CB-CB 4Å; C373-L379 HydrophobicContact CB-CD1 4.22Å; C373-I383 HydrophobicContact CB-CD1 4.32Å
374	Q	93.3	Very high	94.5	Very high	104 Å²	104	34.9 Å²	34.9	49%	0.486	19%	0.185	S	C	.	.	H	α-helix	trans	-75.5	-28.6	174.6	-60.2	-175.2	-30.9	0	0	112.2	E285 F371 A372	E285-Q374 VanDerWaalsContact OE1-CG 3.29Å; E285-Q374 WeakPolarHBondContact OE1-CG 3.27Å; E285-Q374 PolarHBondContact OE1-NE2 2.96Å; F371-Q374 VanDerWaalsContact O-CB 3.3Å; F371-Q374 WeakPolarHBondContact O-CB 3.5Å; F371-Q374 PolarHBondContact O-N 2.64Å; A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.16Å
375	Q	95.8	Very high	94.6	Very high	93 Å²	93	38 Å²	38	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-94.6	-31.5	176.2	-55.8	-163.6	21.4	0	0	112.5	A372 P377 D404	A372-Q375 PolarHBondContact O-N 3.1Å; Q375-P377 WeakPolarHBondContact O-CD 3.49Å; Q375-D404 PolarHBondContact NE2-OD1 3.12Å
376	F	96.6	Very high	94.6	Very high	42 Å²	42	41.3 Å²	41.3	18%	0.184	20%	0.203	C	C	.	.			trans	-123.9	82.7	-177.8	-61.2	-74.4	0	0	0	111	A372 E378 L379 Y399 Q402	A372-F376 PolarHBondContact O-N 3.27Å; F376-E378 VanDerWaalsContact C-OE2 3.31Å; F376-E378 PolarHBondContact O-N 3.49Å; F376-L379 HydrophobicContact CB-CD1 4.19Å; F376-L379 HydrophobicContact CB-CG 4.44Å; F376-L379 WeakPolarHBondContact O-CB 3.25Å; F376-L379 PolarHBondContact O-N 3.01Å; F376-Y399 HydrophobicContact CB-CD1 3.94Å; F376-Y399 HydrophobicContact CB-CD2 4.2Å; F376-Y399 HydrophobicContact CB-CE1 4.4Å; F376-Y399 HydrophobicContact CB-CG 3.84Å; F376-Y399 AromaticContact CD1-CD1 3.39Å; F376-Y399 HydrophobicContact CD1-CD1 3.39Å; F376-Y399 AromaticContact CD1-CE1 3.62Å; F376-Y399 HydrophobicContact CD1-CE1 3.62Å; F376-Y399 HydrophobicContact CD1-CG 4.17Å; F376-Y399 HydrophobicContact CD2-CD1 4Å; F376-Y399 HydrophobicContact CD2-CG 4.18Å; F376-Y399 AromaticContact CE1-CD1 3.83Å; F376-Y399 HydrophobicContact CE1-CD1 3.83Å; F376-Y399 HydrophobicContact CE1-CE1 4.12Å; F376-Y399 HydrophobicContact CE2-CD1 4.38Å; F376-Y399 WeakPolarHBondContact CE2-O 3.41Å; F376-Y399 AromaticContact CG-CD1 3.49Å; F376-Y399 HydrophobicContact CG-CD1 3.49Å; F376-Y399 VanDerWaalsContact CG-CD1 3.49Å; F376-Y399 HydrophobicContact CG-CE1 4.1Å; F376-Y399 AromaticContact CG-CG 3.79Å; F376-Y399 HydrophobicContact CG-CG 3.79Å; F376-Y399 HydrophobicContact CZ-CD1 4.3Å; F376-Q402 HydrophobicContact CE2-CB 3.96Å; F376-Q402 HydrophobicContact CZ-CB 3.75Å
377	P	93.8	Very high	94.6	Very high	89 Å²	89	41.7 Å²	41.7	58%	0.578	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.8	-178.1	-26.3	36.1	0	0	0	114.7	Q375 L379 H380	Q375-P377 WeakPolarHBondContact O-CD 3.49Å; P377-L379 PolarHBondContact O-N 3.28Å; P377-H380 WeakPolarHBondContact O-CB 3.42Å; P377-H380 PolarHBondContact O-N 3.44Å
378	E	93.7	Very high	94.4	Very high	101 Å²	101	46.2 Å²	46.2	47%	0.472	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-28.6	173.8	-59.9	91.5	151.9	0	0	112.8	F376 H380 A381 Y399	F376-E378 VanDerWaalsContact C-OE2 3.31Å; F376-E378 PolarHBondContact O-N 3.49Å; E378-H380 PolarHBondContact O-N 3.11Å; E378-A381 PolarHBondContact O-N 3.47Å; E378-Y399 HydrophobicContact CB-CE2 3.96Å
379	L	94.9	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-30.2	172	-78.5	169.4	0	0	0	112.1	V369 A372 C373 F376 P377 A381 M382 I383 A396 Y399	V369-L379 HydrophobicContact CG1-CD2 4.25Å; A372-L379 HydrophobicContact CB-CD1 3.6Å; C373-L379 HydrophobicContact CB-CB 4Å; C373-L379 HydrophobicContact CB-CD1 4.22Å; F376-L379 HydrophobicContact CB-CD1 4.19Å; F376-L379 HydrophobicContact CB-CG 4.44Å; F376-L379 WeakPolarHBondContact O-CB 3.25Å; F376-L379 PolarHBondContact O-N 3.01Å; P377-L379 PolarHBondContact O-N 3.28Å; L379-A381 VanDerWaalsContact C-N 3.32Å; L379-A381 PolarHBondContact O-N 3.32Å; L379-M382 HydrophobicContact CD2-SD 4.15Å; L379-M382 WeakPolarHBondContact O-CB 3.48Å; L379-M382 PolarHBondContact O-N 2.9Å; L379-M382 VanDerWaalsContact O-N 3.1Å; L379-I383 HydrophobicContact CB-CD1 4.27Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 WeakPolarHBondContact O-CG1 3.38Å; L379-I383 PolarHBondContact O-N 3.46Å; L379-A396 HydrophobicContact CD2-CB 3.57Å; L379-Y399 HydrophobicContact CD2-CD2 4.01Å; L379-Y399 HydrophobicContact CG-CD2 3.86Å; L379-Y399 HydrophobicContact CG-CG 4.43Å
380	H	92.7	Very high	94.3	Very high	73 Å²	73	59.3 Å²	59.3	34%	0.338	30%	0.3	S	S	.	.	H	α-helix	trans	-56.6	-47.5	-179.7	-175	112.4	0	0	0	111.7	E283 R288 P377 E378 M382 I383 M384	E283-H380 PolarHBondContact O-CE1 3.4Å; R288-H380 PolarHBondContact NH2-CE1 3.25Å; P377-H380 WeakPolarHBondContact O-CB 3.42Å; P377-H380 PolarHBondContact O-N 3.44Å; E378-H380 PolarHBondContact O-N 3.11Å; H380-M382 VanDerWaalsContact C-N 3.28Å; H380-M382 PolarHBondContact O-N 3.46Å; H380-I383 PolarHBondContact O-N 3.05Å; H380-M384 WeakPolarHBondContact O-CG 3.46Å; H380-M384 PolarHBondContact O-N 2.92Å
381	A	92.9	Very high	94.1	Very high	51 Å²	51	60.5 Å²	60.5	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-69	-27.9	-179.4	0	0	0	0	0	112.3	E378 L379 R385	E378-A381 PolarHBondContact O-N 3.47Å; L379-A381 VanDerWaalsContact C-N 3.32Å; L379-A381 PolarHBondContact O-N 3.32Å; A381-R385 WeakPolarHBondContact O-CG 3.15Å; A381-R385 PolarHBondContact O-NH1 2.77Å
382	M	95.1	Very high	94	Very high	17 Å²	17	59.6 Å²	59.6	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-72.9	-44.6	174.5	-61.1	173.1	-176.9	0	0	111.3	L379 H380 M384 R385 R386 F387 R395 A396 Y399	L379-M382 HydrophobicContact CD2-SD 4.15Å; L379-M382 WeakPolarHBondContact O-CB 3.48Å; L379-M382 PolarHBondContact O-N 2.9Å; L379-M382 VanDerWaalsContact O-N 3.1Å; H380-M382 VanDerWaalsContact C-N 3.28Å; H380-M382 PolarHBondContact O-N 3.46Å; M382-M384 PolarHBondContact O-N 2.87Å; M382-R385 CarbonylContact O-C 3.46Å; M382-R385 WeakPolarHBondContact O-CG 3.38Å; M382-R385 PolarHBondContact O-N 2.99Å; M382-R386 PolarHBondContact O-N 2.85Å; M382-R386 VanDerWaalsContact O-N 3.09Å; M382-F387 HydrophobicContact CB-CD1 3.71Å; M382-F387 HydrophobicContact CB-CE1 3.69Å; M382-F387 PolarHBondContact O-N 3.26Å; M382-R395 HydrophobicContact CE-CB 4.1Å; M382-R395 HydrophobicContact CE-CG 3.75Å; M382-A396 HydrophobicContact SD-CB 4.27Å; M382-Y399 HydrophobicContact CE-CE2 4.04Å
383	I	93.6	Very high	93.9	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-42.5	177.7	-64.6	160.4	0	0	0	111.1	A365 V369 L370 C373 L379 H380 R385 R386 F387	A365-I383 HydrophobicContact CB-CB 4.48Å; A365-I383 HydrophobicContact CB-CD1 4.26Å; A365-I383 HydrophobicContact CB-CG1 3.88Å; A365-I383 HydrophobicContact CB-CG2 3.85Å; V369-I383 HydrophobicContact CG1-CD1 4.26Å; V369-I383 HydrophobicContact CG1-CG1 4.37Å; L370-I383 HydrophobicContact CD2-CD1 4.42Å; C373-I383 HydrophobicContact CB-CD1 4.32Å; L379-I383 HydrophobicContact CB-CD1 4.27Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 WeakPolarHBondContact O-CG1 3.38Å; L379-I383 PolarHBondContact O-N 3.46Å; H380-I383 PolarHBondContact O-N 3.05Å; I383-R385 VanDerWaalsContact C-N 3.26Å; I383-R385 PolarHBondContact O-N 2.87Å; I383-R386 PolarHBondContact O-N 3.29Å; I383-F387 HydrophobicContact CB-CZ 4.38Å; I383-F387 HydrophobicContact CG1-CE1 4.17Å; I383-F387 HydrophobicContact CG1-CE2 4.37Å; I383-F387 HydrophobicContact CG1-CZ 3.56Å
384	M	91.4	Very high	93.8	Very high	71 Å²	71	64.6 Å²	64.6	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-29.5	179.6	-72.6	-56.3	-61.9	0	0	113	E283 R288 H380 M382	E283-M384 HydrophobicContact CG-CE 3.68Å; E283-M384 HydrophobicContact CG-SD 4.28Å; R288-M384 PolarHBondContact NH2-SD 3.42Å; R288-M384 VanDerWaalsContact NH2-SD 3.36Å; H380-M384 WeakPolarHBondContact O-CG 3.46Å; H380-M384 PolarHBondContact O-N 2.92Å; M382-M384 PolarHBondContact O-N 2.87Å
385	R	92.6	Very high	93.8	Very high	90 Å²	90	64 Å²	64	34%	0.34	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	14.4	171.9	73.4	-168.7	173.4	-117.8	11.7	113.8	A381 M382 I383 F387 S388 S389 D392	A381-R385 WeakPolarHBondContact O-CG 3.15Å; A381-R385 PolarHBondContact O-NH1 2.77Å; M382-R385 CarbonylContact O-C 3.46Å; M382-R385 WeakPolarHBondContact O-CG 3.38Å; M382-R385 PolarHBondContact O-N 2.99Å; I383-R385 VanDerWaalsContact C-N 3.26Å; I383-R385 PolarHBondContact O-N 2.87Å; R385-F387 VanDerWaalsContact C-N 3.25Å; R385-F387 PolarHBondContact O-N 3.13Å; R385-S388 VanDerWaalsContact O-CB 3.25Å; R385-S388 WeakPolarHBondContact O-CB 3.21Å; R385-S388 PolarHBondContact O-N 2.89Å; R385-S388 VanDerWaalsContact O-N 3.11Å; R385-S388 PolarHBondContact O-OG 3.13Å; R385-S389 WeakPolarHBondContact CD-OG 3.35Å; R385-S389 PolarHBondContact NE-OG 3.45Å; R385-D392 IonicContact CZ-OD1 2.93Å; R385-D392 IonicContact CZ-OD2 3.53Å; R385-D392 IonicContact NE-OD1 3.78Å; R385-D392 PolarHBondContact NE-OD1 3.18Å; R385-D392 IonicContact NE-OD2 4Å; R385-D392 PolarHBondContact NE-OD2 3.06Å; R385-D392 IonicContact NH2-OD1 2.63Å; R385-D392 PolarHBondContact NH2-OD1 3.43Å; R385-D392 IonicContact NH2-OD2 3.55Å
386	R	92.4	Very high	93.8	Very high	90 Å²	90	59.6 Å²	59.6	34%	0.34	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	40.9	179.3	-60.6	-175.4	64.9	135.2	2.5	113.9	Q278 L362 G363 M382 I383 S388	Q278-R386 PolarHBondContact O-NH1 3.19Å; L362-R386 PolarHBondContact O-NH2 3.06Å; G363-R386 VanDerWaalsContact CA-O 3.25Å; G363-R386 WeakPolarHBondContact CA-O 3.42Å; M382-R386 PolarHBondContact O-N 2.85Å; M382-R386 VanDerWaalsContact O-N 3.09Å; I383-R386 PolarHBondContact O-N 3.29Å; R386-S388 PolarHBondContact O-N 3.02Å
387	F	94	Very high	93.6	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.039	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	25	-179.5	-48	-79.9	0	0	0	115	L360 A365 V369 M382 I383 R385 S389 D392 V393 A396	L360-F387 HydrophobicContact CD2-CD1 4.11Å; L360-F387 HydrophobicContact CD2-CD2 3.89Å; L360-F387 HydrophobicContact CD2-CE1 3.83Å; L360-F387 HydrophobicContact CD2-CE2 3.58Å; L360-F387 HydrophobicContact CD2-CG 4.17Å; L360-F387 HydrophobicContact CD2-CZ 3.56Å; A365-F387 HydrophobicContact CB-CE2 4.27Å; A365-F387 HydrophobicContact CB-CZ 4.33Å; V369-F387 HydrophobicContact CG1-CE1 4.48Å; V369-F387 HydrophobicContact CG1-CZ 3.92Å; M382-F387 HydrophobicContact CB-CD1 3.71Å; M382-F387 HydrophobicContact CB-CE1 3.69Å; M382-F387 PolarHBondContact O-N 3.26Å; I383-F387 HydrophobicContact CB-CZ 4.38Å; I383-F387 HydrophobicContact CG1-CE1 4.17Å; I383-F387 HydrophobicContact CG1-CE2 4.37Å; I383-F387 HydrophobicContact CG1-CZ 3.56Å; R385-F387 VanDerWaalsContact C-N 3.25Å; R385-F387 PolarHBondContact O-N 3.13Å; F387-S389 VanDerWaalsContact C-N 3.33Å; F387-S389 PolarHBondContact O-N 3.43Å; F387-D392 VanDerWaalsContact C-OD2 3.28Å; F387-D392 WeakPolarHBondContact CA-OD2 3.39Å; F387-D392 HydrophobicContact CB-CB 3.89Å; F387-D392 HydrophobicContact CD1-CB 4.31Å; F387-D392 WeakPolarHBondContact O-CB 3.3Å; F387-V393 HydrophobicContact CB-CG2 4.08Å; F387-A396 HydrophobicContact CD1-CB 3.85Å; F387-A396 HydrophobicContact CE1-CB 3.62Å
388	S	93.3	Very high	93.6	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	30%	0.297	S	S	*	.			trans	-75.6	-11.7	-173.8	58	0	0	0	0	115.3	R385 R386 D392	R385-S388 VanDerWaalsContact O-CB 3.25Å; R385-S388 WeakPolarHBondContact O-CB 3.21Å; R385-S388 PolarHBondContact O-N 2.89Å; R385-S388 VanDerWaalsContact O-N 3.11Å; R385-S388 PolarHBondContact O-OG 3.13Å; R386-S388 PolarHBondContact O-N 3.02Å; S388-D392 PolarHBondContact N-OD2 3.22Å
389	S	95.3	Very high	93.7	Very high	56 Å²	56	54.5 Å²	54.5	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	-87	147.9	178.9	-59.9	0	0	0	0	111.9	R385 F387 G391 D392	R385-S389 WeakPolarHBondContact CD-OG 3.35Å; R385-S389 PolarHBondContact NE-OG 3.45Å; F387-S389 VanDerWaalsContact C-N 3.33Å; F387-S389 PolarHBondContact O-N 3.43Å; S389-G391 PolarHBondContact O-N 2.93Å; S389-G391 VanDerWaalsContact O-N 3.14Å; S389-D392 WeakPolarHBondContact CA-OD2 3.44Å; S389-D392 VanDerWaalsContact CB-OD2 3.28Å; S389-D392 WeakPolarHBondContact CB-OD2 3.23Å; S389-D392 PolarHBondContact N-OD2 3.22Å; S389-D392 VanDerWaalsContact O-CB 3.27Å; S389-D392 WeakPolarHBondContact O-CB 3.19Å; S389-D392 VanDerWaalsContact O-CG 3.28Å; S389-D392 PolarHBondContact O-N 2.63Å
390	K	94	Very high	93.7	Very high	219 Å²	219	54.5 Å²	54.5	95%	0.952	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	119.8	-177.8	-175	-179.3	179.4	-178.1	0	110.9
391	G	92.9	Very high	93.6	Very high	33 Å²	33	55.9 Å²	55.9	34%	0.34	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-2.5	-179	0	0	0	0	0	115.1	S389 V393 D394 R395	S389-G391 PolarHBondContact O-N 2.93Å; S389-G391 VanDerWaalsContact O-N 3.14Å; G391-V393 PolarHBondContact O-N 3.49Å; G391-D394 PolarHBondContact O-N 3.45Å; G391-R395 VanDerWaalsContact O-CB 3.3Å; G391-R395 WeakPolarHBondContact O-CB 3.25Å; G391-R395 PolarHBondContact O-N 3.34Å
392	D	95.1	Very high	93.7	Very high	7 Å²	7	59 Å²	59	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-46	176.6	-79.4	-9.3	0	0	0	111.9	R385 F387 S388 S389 R395 A396	R385-D392 IonicContact CZ-OD1 2.93Å; R385-D392 IonicContact CZ-OD2 3.53Å; R385-D392 IonicContact NE-OD1 3.78Å; R385-D392 PolarHBondContact NE-OD1 3.18Å; R385-D392 IonicContact NE-OD2 4Å; R385-D392 PolarHBondContact NE-OD2 3.06Å; R385-D392 IonicContact NH2-OD1 2.63Å; R385-D392 PolarHBondContact NH2-OD1 3.43Å; R385-D392 IonicContact NH2-OD2 3.55Å; F387-D392 VanDerWaalsContact C-OD2 3.28Å; F387-D392 WeakPolarHBondContact CA-OD2 3.39Å; F387-D392 HydrophobicContact CB-CB 3.89Å; F387-D392 HydrophobicContact CD1-CB 4.31Å; F387-D392 WeakPolarHBondContact O-CB 3.3Å; S388-D392 PolarHBondContact N-OD2 3.22Å; S389-D392 WeakPolarHBondContact CA-OD2 3.44Å; S389-D392 VanDerWaalsContact CB-OD2 3.28Å; S389-D392 WeakPolarHBondContact CB-OD2 3.23Å; S389-D392 PolarHBondContact N-OD2 3.22Å; S389-D392 VanDerWaalsContact O-CB 3.27Å; S389-D392 WeakPolarHBondContact O-CB 3.19Å; S389-D392 VanDerWaalsContact O-CG 3.28Å; S389-D392 PolarHBondContact O-N 2.63Å; D392-R395 PolarHBondContact O-N 2.94Å; D392-A396 WeakPolarHBondContact O-CB 3.21Å; D392-A396 PolarHBondContact O-N 2.9Å
393	V	93.8	Very high	93.8	Very high	26 Å²	26	58.7 Å²	58.7	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-50.1	-179.9	174.9	0	0	0	0	111	A357 L360 K361 F387 G391 R395 A396 W397	A357-V393 HydrophobicContact CB-CG1 4.28Å; L360-V393 HydrophobicContact CB-CG1 3.91Å; L360-V393 HydrophobicContact CB-CG2 4.26Å; L360-V393 HydrophobicContact CD1-CG1 4.35Å; K361-V393 HydrophobicContact CG-CG1 4.32Å; F387-V393 HydrophobicContact CB-CG2 4.08Å; G391-V393 PolarHBondContact O-N 3.49Å; V393-R395 VanDerWaalsContact C-N 3.32Å; V393-R395 PolarHBondContact O-N 3.48Å; V393-A396 PolarHBondContact O-N 3.46Å; V393-W397 VanDerWaalsContact O-CB 3.3Å; V393-W397 WeakPolarHBondContact O-CB 3.16Å; V393-W397 PolarHBondContact O-N 3.13Å
394	D	92.5	Very high	93.9	Very high	88 Å²	88	61 Å²	61	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-39.3	179.9	-58.6	-52.8	0	0	0	111.6	G391 Q398	G391-D394 PolarHBondContact O-N 3.45Å; D394-Q398 VanDerWaalsContact O-CG 3.31Å; D394-Q398 WeakPolarHBondContact O-CG 3.39Å; D394-Q398 PolarHBondContact O-N 3.44Å
395	R	94.6	Very high	94.2	Very high	92 Å²	92	57.6 Å²	57.6	35%	0.347	29%	0.288	S	S	.	.	H	α-helix	trans	-75.2	-38.5	-179.5	-170.7	57.7	177.4	170.9	4.1	112.5	M382 G391 D392 V393 W397 Q398 Y399	M382-R395 HydrophobicContact CE-CB 4.1Å; M382-R395 HydrophobicContact CE-CG 3.75Å; G391-R395 VanDerWaalsContact O-CB 3.3Å; G391-R395 WeakPolarHBondContact O-CB 3.25Å; G391-R395 PolarHBondContact O-N 3.34Å; D392-R395 PolarHBondContact O-N 2.94Å; V393-R395 VanDerWaalsContact C-N 3.32Å; V393-R395 PolarHBondContact O-N 3.48Å; R395-W397 VanDerWaalsContact C-N 3.34Å; R395-Q398 WeakPolarHBondContact O-CB 3.33Å; R395-Q398 PolarHBondContact O-N 3.37Å; R395-Y399 HydrophobicContact CG-CD2 4.23Å; R395-Y399 HydrophobicContact CG-CE2 3.77Å; R395-Y399 PolarHBondContact NE-OH 3.47Å; R395-Y399 VanDerWaalsContact NE-OH 3.11Å; R395-Y399 PolarHBondContact NH2-OH 2.95Å; R395-Y399 WeakPolarHBondContact O-CD2 3.35Å; R395-Y399 PolarHBondContact O-N 2.94Å
396	A	95.2	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-41.5	174.5	0	0	0	0	0	111.3	L360 L379 M382 F387 D392 V393 Y399 V400	L360-A396 HydrophobicContact CD1-CB 4.16Å; L360-A396 HydrophobicContact CD2-CB 4.26Å; L379-A396 HydrophobicContact CD2-CB 3.57Å; M382-A396 HydrophobicContact SD-CB 4.27Å; F387-A396 HydrophobicContact CD1-CB 3.85Å; F387-A396 HydrophobicContact CE1-CB 3.62Å; D392-A396 WeakPolarHBondContact O-CB 3.21Å; D392-A396 PolarHBondContact O-N 2.9Å; V393-A396 PolarHBondContact O-N 3.46Å; A396-Y399 PolarHBondContact O-N 3.44Å; A396-V400 WeakPolarHBondContact O-CG2 3.39Å; A396-V400 PolarHBondContact O-N 3.43Å
397	W	92.9	Very high	94.5	Very high	23 Å²	23	55.6 Å²	55.6	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-46.7	171.6	179.7	-88.6	0	0	0	112.5	D344 F345 P355 A357 L360 V393 R395 Y399 V400 L401	D344-W397 WeakPolarHBondContact O-CZ3 3.36Å; F345-W397 HydrophobicContact CB-CH2 4.39Å; F345-W397 HydrophobicContact CB-CZ3 4.22Å; F345-W397 HydrophobicContact CD1-CD2 4.19Å; F345-W397 AromaticContact CD1-CE3 3.4Å; F345-W397 HydrophobicContact CD1-CE3 3.4Å; F345-W397 VanDerWaalsContact CD1-CE3 3.4Å; F345-W397 HydrophobicContact CD1-CH2 4.33Å; F345-W397 AromaticContact CD1-CZ3 3.51Å; F345-W397 HydrophobicContact CD1-CZ3 3.51Å; F345-W397 HydrophobicContact CE1-CD2 4.46Å; F345-W397 AromaticContact CE1-CE3 3.59Å; F345-W397 HydrophobicContact CE1-CE3 3.59Å; F345-W397 HydrophobicContact CE1-CZ3 4.03Å; F345-W397 HydrophobicContact CG-CE3 4.34Å; F345-W397 AromaticContact CG-CZ3 4Å; F345-W397 HydrophobicContact CG-CZ3 4Å; F345-W397 WeakPolarHBondContact O-CH2 3.41Å; F345-W397 WeakPolarHBondContact O-CZ2 3.33Å; P355-W397 HydrophobicContact CB-CB 4.49Å; P355-W397 HydrophobicContact CB-CD2 3.57Å; P355-W397 HydrophobicContact CB-CE3 3.75Å; P355-W397 HydrophobicContact CB-CG 3.92Å; P355-W397 HydrophobicContact CB-CH2 4.34Å; P355-W397 HydrophobicContact CB-CZ2 4.23Å; P355-W397 HydrophobicContact CB-CZ3 4.12Å; A357-W397 HydrophobicContact CB-CE3 3.66Å; A357-W397 HydrophobicContact CB-CZ3 3.75Å; L360-W397 HydrophobicContact CD1-CB 4.37Å; V393-W397 VanDerWaalsContact O-CB 3.3Å; V393-W397 WeakPolarHBondContact O-CB 3.16Å; V393-W397 PolarHBondContact O-N 3.13Å; R395-W397 VanDerWaalsContact C-N 3.34Å; W397-Y399 VanDerWaalsContact C-N 3.34Å; W397-Y399 PolarHBondContact O-N 2.93Å; W397-V400 PolarHBondContact O-N 3.38Å; W397-L401 VanDerWaalsContact NE1-CD1 3.35Å; W397-L401 PolarHBondContact O-N 3.44Å
398	Q	92.6	Very high	94.7	Very high	84 Å²	84	58.3 Å²	58.3	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-43.9	174.8	-75	171	7.1	0	0	112.3	D394 R395 L401 Q402	D394-Q398 VanDerWaalsContact O-CG 3.31Å; D394-Q398 WeakPolarHBondContact O-CG 3.39Å; D394-Q398 PolarHBondContact O-N 3.44Å; R395-Q398 WeakPolarHBondContact O-CB 3.33Å; R395-Q398 PolarHBondContact O-N 3.37Å; Q398-L401 PolarHBondContact O-N 3.46Å; Q398-Q402 WeakPolarHBondContact O-CB 3.08Å; Q398-Q402 VanDerWaalsContact O-CG 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.48Å; Q398-Q402 PolarHBondContact O-N 2.9Å
399	Y	95.9	Very high	94.9	Very high	17 Å²	17	53.8 Å²	53.8	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-38	177	-70.2	-39.8	0	0	0	112.7	F376 E378 L379 M382 R395 A396 W397 Q402 S403	F376-Y399 HydrophobicContact CB-CD1 3.94Å; F376-Y399 HydrophobicContact CB-CD2 4.2Å; F376-Y399 HydrophobicContact CB-CE1 4.4Å; F376-Y399 HydrophobicContact CB-CG 3.84Å; F376-Y399 AromaticContact CD1-CD1 3.39Å; F376-Y399 HydrophobicContact CD1-CD1 3.39Å; F376-Y399 AromaticContact CD1-CE1 3.62Å; F376-Y399 HydrophobicContact CD1-CE1 3.62Å; F376-Y399 HydrophobicContact CD1-CG 4.17Å; F376-Y399 HydrophobicContact CD2-CD1 4Å; F376-Y399 HydrophobicContact CD2-CG 4.18Å; F376-Y399 AromaticContact CE1-CD1 3.83Å; F376-Y399 HydrophobicContact CE1-CD1 3.83Å; F376-Y399 HydrophobicContact CE1-CE1 4.12Å; F376-Y399 HydrophobicContact CE2-CD1 4.38Å; F376-Y399 WeakPolarHBondContact CE2-O 3.41Å; F376-Y399 AromaticContact CG-CD1 3.49Å; F376-Y399 HydrophobicContact CG-CD1 3.49Å; F376-Y399 VanDerWaalsContact CG-CD1 3.49Å; F376-Y399 HydrophobicContact CG-CE1 4.1Å; F376-Y399 AromaticContact CG-CG 3.79Å; F376-Y399 HydrophobicContact CG-CG 3.79Å; F376-Y399 HydrophobicContact CZ-CD1 4.3Å; E378-Y399 HydrophobicContact CB-CE2 3.96Å; L379-Y399 HydrophobicContact CD2-CD2 4.01Å; L379-Y399 HydrophobicContact CG-CD2 3.86Å; L379-Y399 HydrophobicContact CG-CG 4.43Å; M382-Y399 HydrophobicContact CE-CE2 4.04Å; R395-Y399 HydrophobicContact CG-CD2 4.23Å; R395-Y399 HydrophobicContact CG-CE2 3.77Å; R395-Y399 PolarHBondContact NE-OH 3.47Å; R395-Y399 VanDerWaalsContact NE-OH 3.11Å; R395-Y399 PolarHBondContact NH2-OH 2.95Å; R395-Y399 WeakPolarHBondContact O-CD2 3.35Å; R395-Y399 PolarHBondContact O-N 2.94Å; A396-Y399 PolarHBondContact O-N 3.44Å; W397-Y399 VanDerWaalsContact C-N 3.34Å; W397-Y399 PolarHBondContact O-N 2.93Å; Y399-Q402 PolarHBondContact O-N 3.18Å; Y399-S403 VanDerWaalsContact O-CB 3.25Å; Y399-S403 WeakPolarHBondContact O-CB 3.4Å; Y399-S403 PolarHBondContact O-N 3.25Å; Y399-S403 PolarHBondContact O-OG 2.78Å
400	V	95.1	Very high	95	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-47.3	173	174.3	0	0	0	0	110.8	F345 P368 V369 A372 A396 W397 Q402 S403 V406	F345-V400 HydrophobicContact CD1-CB 4.02Å; F345-V400 HydrophobicContact CD1-CG1 3.59Å; F345-V400 HydrophobicContact CD1-CG2 4.36Å; F345-V400 HydrophobicContact CE1-CB 3.91Å; F345-V400 HydrophobicContact CE1-CG1 3.88Å; F345-V400 HydrophobicContact CE1-CG2 3.79Å; F345-V400 HydrophobicContact CG-CG1 4.12Å; F345-V400 HydrophobicContact CZ-CG2 4.28Å; P368-V400 HydrophobicContact CB-CG1 3.8Å; V369-V400 HydrophobicContact CB-CG2 4.41Å; V369-V400 HydrophobicContact CG2-CG2 4.05Å; A372-V400 HydrophobicContact CB-CB 4.47Å; A372-V400 HydrophobicContact CB-CG2 3.87Å; A396-V400 WeakPolarHBondContact O-CG2 3.39Å; A396-V400 PolarHBondContact O-N 3.43Å; W397-V400 PolarHBondContact O-N 3.38Å; V400-Q402 VanDerWaalsContact C-N 3.29Å; V400-Q402 PolarHBondContact O-N 3.42Å; V400-S403 PolarHBondContact O-N 2.88Å; V400-S403 PolarHBondContact O-OG 2.9Å; V400-V406 HydrophobicContact CG1-CG2 3.73Å
401	L	91.1	Very high	95.2	Very high	102 Å²	102	49.1 Å²	49.1	53%	0.534	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-27.3	177.4	-69	-176	0	0	0	114.4	W397 Q398	W397-L401 VanDerWaalsContact NE1-CD1 3.35Å; W397-L401 PolarHBondContact O-N 3.44Å; Q398-L401 PolarHBondContact O-N 3.46Å
402	Q	94.7	Very high	95.5	Very high	117 Å²	117	49.1 Å²	49.1	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-88.8	-7.5	177.7	-71	177.3	-14.9	0	0	113.4	F376 Q398 Y399 V400	F376-Q402 HydrophobicContact CE2-CB 3.96Å; F376-Q402 HydrophobicContact CZ-CB 3.75Å; Q398-Q402 WeakPolarHBondContact O-CB 3.08Å; Q398-Q402 VanDerWaalsContact O-CG 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.48Å; Q398-Q402 PolarHBondContact O-N 2.9Å; Y399-Q402 PolarHBondContact O-N 3.18Å; V400-Q402 VanDerWaalsContact C-N 3.29Å; V400-Q402 PolarHBondContact O-N 3.42Å
403	S	96.8	Very high	95.6	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.07	23%	0.234	C	C	.	.	S	Bend	trans	-102.1	-179.5	179.6	74.7	0	0	0	0	112.2	A372 Y399 V400 G405	A372-S403 VanDerWaalsContact CB-OG 3.27Å; A372-S403 WeakPolarHBondContact CB-OG 3.42Å; Y399-S403 VanDerWaalsContact O-CB 3.25Å; Y399-S403 WeakPolarHBondContact O-CB 3.4Å; Y399-S403 PolarHBondContact O-N 3.25Å; Y399-S403 PolarHBondContact O-OG 2.78Å; V400-S403 PolarHBondContact O-N 2.88Å; V400-S403 PolarHBondContact O-OG 2.9Å; S403-G405 PolarHBondContact OG-N 3Å
404	D	96.8	Very high	95.9	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-92.4	12.5	164.8	73.8	-13.3	0	0	0	113.7	Q375 V406 Q407 Q408	Q375-D404 PolarHBondContact NE2-OD1 3.12Å; D404-V406 VanDerWaalsContact C-N 3.32Å; D404-V406 PolarHBondContact O-N 3.26Å; D404-Q407 VanDerWaalsContact CA-OE1 3.28Å; D404-Q407 HydrophobicContact CB-CB 4.49Å; D404-Q407 CarbonylContact O-C 3.43Å; D404-Q407 WeakPolarHBondContact O-CA 3.46Å; D404-Q407 WeakPolarHBondContact O-CB 3.42Å; D404-Q407 PolarHBondContact O-N 3.4Å; D404-Q407 PolarHBondContact O-OE1 3.04Å; D404-Q407 VanDerWaalsContact O-OE1 3.11Å; D404-Q408 HydrophobicContact CB-CG 4.38Å; D404-Q408 VanDerWaalsContact CG-CG 3.49Å; D404-Q408 WeakPolarHBondContact O-CG 3.32Å; D404-Q408 PolarHBondContact O-N 3.28Å; D404-Q408 WeakPolarHBondContact OD2-CG 3.49Å; D404-Q408 PolarHBondContact OD2-NE2 2.93Å
405	G	97	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-34.9	-168.8	0	0	0	0	0	114.8	S403 T409	S403-G405 PolarHBondContact OG-N 3Å; G405-T409 WeakPolarHBondContact O-CB 3.48Å; G405-T409 PolarHBondContact O-N 3.2Å; G405-T409 PolarHBondContact O-OG1 3Å
406	V	95.4	Very high	96.3	Very high	23 Å²	23	52.6 Å²	52.6	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-42.6	173.3	176.4	0	0	0	0	110.6	V342 F345 T346 P368 V400 D404 T409 T410	V342-V406 HydrophobicContact CG1-CG1 4Å; V342-V406 HydrophobicContact CG2-CG1 4.45Å; F345-V406 HydrophobicContact CB-CG2 4.32Å; T346-V406 HydrophobicContact CG2-CG1 4.01Å; P368-V406 HydrophobicContact CB-CG2 4.16Å; V400-V406 HydrophobicContact CG1-CG2 3.73Å; D404-V406 VanDerWaalsContact C-N 3.32Å; D404-V406 PolarHBondContact O-N 3.26Å; V406-T409 PolarHBondContact O-N 2.99Å; V406-T410 WeakPolarHBondContact O-CB 3.32Å; V406-T410 PolarHBondContact O-N 3.34Å; V406-T410 PolarHBondContact O-OG1 3.16Å
407	Q	96.6	Very high	96.5	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-42.7	-179.7	-61.6	82.5	-21.3	0	0	110.8	D404 T410 Y411	D404-Q407 VanDerWaalsContact CA-OE1 3.28Å; D404-Q407 HydrophobicContact CB-CB 4.49Å; D404-Q407 CarbonylContact O-C 3.43Å; D404-Q407 WeakPolarHBondContact O-CA 3.46Å; D404-Q407 WeakPolarHBondContact O-CB 3.42Å; D404-Q407 PolarHBondContact O-N 3.4Å; D404-Q407 PolarHBondContact O-OE1 3.04Å; D404-Q407 VanDerWaalsContact O-OE1 3.11Å; Q407-T410 PolarHBondContact O-N 3.33Å; Q407-Y411 WeakPolarHBondContact O-CB 3.46Å; Q407-Y411 PolarHBondContact O-N 3.22Å
408	Q	98	Very high	96.8	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-40.7	175.4	-65.7	-63.4	-11.8	0	0	112.1	F371 D404 Y411 L412	F371-Q408 HydrophobicContact CB-CB 3.99Å; F371-Q408 HydrophobicContact CB-CG 4.5Å; F371-Q408 HydrophobicContact CD1-CB 3.7Å; F371-Q408 HydrophobicContact CD1-CG 4.22Å; F371-Q408 HydrophobicContact CD2-CB 3.63Å; F371-Q408 HydrophobicContact CE1-CB 3.98Å; F371-Q408 HydrophobicContact CE2-CB 3.9Å; F371-Q408 HydrophobicContact CG-CB 3.51Å; F371-Q408 HydrophobicContact CG-CG 4.31Å; F371-Q408 HydrophobicContact CZ-CB 4.06Å; D404-Q408 HydrophobicContact CB-CG 4.38Å; D404-Q408 VanDerWaalsContact CG-CG 3.49Å; D404-Q408 WeakPolarHBondContact O-CG 3.32Å; D404-Q408 PolarHBondContact O-N 3.28Å; D404-Q408 WeakPolarHBondContact OD2-CG 3.49Å; D404-Q408 PolarHBondContact OD2-NE2 2.93Å; Q408-Y411 PolarHBondContact O-N 3.27Å; Q408-L412 WeakPolarHBondContact O-CB 3.4Å; Q408-L412 PolarHBondContact O-N 2.81Å
409	T	97.8	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-43.3	174.3	-51.9	0	0	0	0	111.4	L338 V342 G367 P368 F371 G405 V406 Y411 L412 A413	L338-T409 HydrophobicContact CB-CG2 4.3Å; L338-T409 HydrophobicContact CD2-CG2 3.75Å; V342-T409 HydrophobicContact CG2-CG2 3.66Å; G367-T409 PolarHBondContact O-OG1 3.07Å; P368-T409 WeakPolarHBondContact CA-OG1 3.44Å; P368-T409 WeakPolarHBondContact CD-OG1 3.37Å; P368-T409 HydrophobicContact CG-CG2 4.26Å; F371-T409 WeakPolarHBondContact CD2-OG1 3.48Å; G405-T409 WeakPolarHBondContact O-CB 3.48Å; G405-T409 PolarHBondContact O-N 3.2Å; G405-T409 PolarHBondContact O-OG1 3Å; V406-T409 PolarHBondContact O-N 2.99Å; T409-Y411 VanDerWaalsContact C-N 3.34Å; T409-Y411 PolarHBondContact O-N 2.93Å; T409-L412 PolarHBondContact O-N 3.36Å; T409-A413 PolarHBondContact O-N 3.32Å
410	T	97.1	Very high	97.2	Very high	49 Å²	49	53 Å²	53	30%	0.301	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-40.3	175.5	-56.7	0	0	0	0	111.8	V406 Q407 A413 R414	V406-T410 WeakPolarHBondContact O-CB 3.32Å; V406-T410 PolarHBondContact O-N 3.34Å; V406-T410 PolarHBondContact O-OG1 3.16Å; Q407-T410 PolarHBondContact O-N 3.33Å; T410-A413 PolarHBondContact O-N 3.37Å; T410-R414 PolarHBondContact O-N 2.92Å
411	Y	98	Very high	97.3	Very high	127 Å²	127	55.2 Å²	55.2	50%	0.498	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-46.1	174.1	177	-102.1	0	0	0	111.2	Q407 Q408 T409 A413 R414 R415	Q407-Y411 WeakPolarHBondContact O-CB 3.46Å; Q407-Y411 PolarHBondContact O-N 3.22Å; Q408-Y411 PolarHBondContact O-N 3.27Å; T409-Y411 VanDerWaalsContact C-N 3.34Å; T409-Y411 PolarHBondContact O-N 2.93Å; Y411-A413 PolarHBondContact O-N 3.11Å; Y411-R414 WeakPolarHBondContact O-CB 3.11Å; Y411-R414 PolarHBondContact O-N 2.92Å; Y411-R414 VanDerWaalsContact O-N 3.16Å; Y411-R415 HydrophobicContact CD1-CG 4.3Å; Y411-R415 HydrophobicContact CE1-CG 3.91Å; Y411-R415 WeakPolarHBondContact O-CG 3.3Å; Y411-R415 PolarHBondContact O-N 2.63Å
412	L	98.4	Very high	97.7	Very high	33 Å²	33	56.9 Å²	56.9	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.6	-175.5	59.1	0	0	0	111.8	F289 L293 L338 F371 Q408 T409 R414 R415 Y416	F289-L412 HydrophobicContact CE1-CD2 3.86Å; F289-L412 HydrophobicContact CZ-CD2 3.67Å; L293-L412 HydrophobicContact CD2-CD2 4.31Å; L338-L412 HydrophobicContact CD1-CB 4.46Å; L338-L412 HydrophobicContact CD1-CD2 4.25Å; L338-L412 HydrophobicContact CD1-CG 3.92Å; L338-L412 HydrophobicContact CD2-CD2 4.05Å; L338-L412 HydrophobicContact CD2-CG 4.46Å; F371-L412 HydrophobicContact CE2-CD2 4.26Å; F371-L412 HydrophobicContact CZ-CD2 4.19Å; Q408-L412 WeakPolarHBondContact O-CB 3.4Å; Q408-L412 PolarHBondContact O-N 2.81Å; T409-L412 PolarHBondContact O-N 3.36Å; L412-R414 VanDerWaalsContact C-N 3.28Å; L412-R414 PolarHBondContact O-N 2.85Å; L412-R415 WeakPolarHBondContact O-CB 3.48Å; L412-R415 PolarHBondContact O-N 3.22Å; L412-R415 VanDerWaalsContact O-N 3.14Å; L412-Y416 HydrophobicContact CD1-CD2 4.04Å; L412-Y416 HydrophobicContact CD1-CE2 3.71Å; L412-Y416 HydrophobicContact CD2-CE2 4.41Å; L412-Y416 HydrophobicContact CG-CD2 4.03Å; L412-Y416 HydrophobicContact CG-CE2 3.87Å; L412-Y416 WeakPolarHBondContact O-CD2 3.44Å; L412-Y416 PolarHBondContact O-N 3.49Å; L412-Y416 VanDerWaalsContact O-N 3.08Å
413	A	98.3	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-43.3	173.9	0	0	0	0	0	111.5	L338 V339 T409 T410 Y411 R415 Y416 C417 L444	L338-A413 HydrophobicContact CB-CB 3.74Å; L338-A413 HydrophobicContact CD1-CB 4.32Å; V339-A413 HydrophobicContact CG2-CB 3.93Å; T409-A413 PolarHBondContact O-N 3.32Å; T410-A413 PolarHBondContact O-N 3.37Å; Y411-A413 PolarHBondContact O-N 3.11Å; A413-R415 PolarHBondContact O-N 2.96Å; A413-Y416 PolarHBondContact O-N 3.18Å; A413-C417 PolarHBondContact O-N 2.95Å; A413-L444 HydrophobicContact CB-CD1 3.83Å
414	R	98.3	Very high	98	Very high	121 Å²	121	51.5 Å²	51.5	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-44.1	175.4	-174.5	-180	-63.1	165.7	3.4	112	T410 Y411 L412 Y416 C417 E418 L444	T410-R414 PolarHBondContact O-N 2.92Å; Y411-R414 WeakPolarHBondContact O-CB 3.11Å; Y411-R414 PolarHBondContact O-N 2.92Å; Y411-R414 VanDerWaalsContact O-N 3.16Å; L412-R414 VanDerWaalsContact C-N 3.28Å; L412-R414 PolarHBondContact O-N 2.85Å; R414-Y416 VanDerWaalsContact C-N 3.29Å; R414-Y416 PolarHBondContact O-N 2.79Å; R414-C417 PolarHBondContact O-N 3.33Å; R414-C417 VanDerWaalsContact O-N 3.17Å; R414-E418 HydrophobicContact CG-CG 4.39Å; R414-E418 WeakPolarHBondContact CG-OE1 3.34Å; R414-E418 WeakPolarHBondContact O-CG 3.43Å; R414-E418 PolarHBondContact O-N 3.49Å; R414-L444 HydrophobicContact CB-CD1 4.2Å; R414-L444 HydrophobicContact CB-CD2 3.89Å; R414-L444 HydrophobicContact CG-CD2 3.83Å
415	R	98.6	Very high	98	Very high	122 Å²	122	51.7 Å²	51.7	46%	0.46	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-39.1	176.5	-62.7	-58.4	-62.3	159.8	11.2	112.1	Y411 L412 A413 E418 E419	Y411-R415 HydrophobicContact CD1-CG 4.3Å; Y411-R415 HydrophobicContact CE1-CG 3.91Å; Y411-R415 WeakPolarHBondContact O-CG 3.3Å; Y411-R415 PolarHBondContact O-N 2.63Å; L412-R415 WeakPolarHBondContact O-CB 3.48Å; L412-R415 PolarHBondContact O-N 3.22Å; L412-R415 VanDerWaalsContact O-N 3.14Å; A413-R415 PolarHBondContact O-N 2.96Å; R415-E418 IonicContact CZ-OE2 2.79Å; R415-E418 IonicContact NE-OE2 3.77Å; R415-E418 IonicContact NH1-OE2 2.8Å; R415-E418 PolarHBondContact NH1-OE2 3.31Å; R415-E419 PolarHBondContact O-N 2.88Å; R415-E419 VanDerWaalsContact O-N 3.1Å
416	Y	98.7	Very high	98.1	Very high	43 Å²	43	57 Å²	57	17%	0.169	25%	0.252	C	S	.	.	H	α-helix	trans	-67.9	-42.5	173.8	-82.7	-72.8	0	0	0	112.4	L293 N331 I334 L338 L412 A413 R414 E419 A420	L293-Y416 HydrophobicContact CD2-CE2 4.35Å; N331-Y416 HydrophobicContact CB-CD1 4.21Å; N331-Y416 WeakPolarHBondContact CB-O 3.46Å; N331-Y416 WeakPolarHBondContact OD1-CD1 3.21Å; I334-Y416 HydrophobicContact CB-CD1 3.99Å; I334-Y416 HydrophobicContact CB-CE1 4.1Å; I334-Y416 HydrophobicContact CB-CG 4.22Å; I334-Y416 HydrophobicContact CD1-CD1 4.27Å; I334-Y416 HydrophobicContact CD1-CE1 3.68Å; I334-Y416 HydrophobicContact CG1-CE1 4.5Å; I334-Y416 HydrophobicContact CG2-CD1 3.92Å; I334-Y416 HydrophobicContact CG2-CD2 3.66Å; I334-Y416 HydrophobicContact CG2-CE1 3.82Å; I334-Y416 HydrophobicContact CG2-CE2 3.53Å; I334-Y416 HydrophobicContact CG2-CG 3.87Å; L338-Y416 HydrophobicContact CD1-CD2 3.53Å; L338-Y416 HydrophobicContact CD1-CE2 3.95Å; L338-Y416 HydrophobicContact CD1-CG 4.47Å; L412-Y416 HydrophobicContact CD1-CD2 4.04Å; L412-Y416 HydrophobicContact CD1-CE2 3.71Å; L412-Y416 HydrophobicContact CD2-CE2 4.41Å; L412-Y416 HydrophobicContact CG-CD2 4.03Å; L412-Y416 HydrophobicContact CG-CE2 3.87Å; L412-Y416 WeakPolarHBondContact O-CD2 3.44Å; L412-Y416 PolarHBondContact O-N 3.49Å; L412-Y416 VanDerWaalsContact O-N 3.08Å; A413-Y416 PolarHBondContact O-N 3.18Å; R414-Y416 VanDerWaalsContact C-N 3.29Å; R414-Y416 PolarHBondContact O-N 2.79Å; Y416-E419 PolarHBondContact O-N 3.14Å; Y416-A420 PolarHBondContact O-N 3.27Å
417	C	98.5	Very high	98.1	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-44.1	172.8	-79.8	0	0	0	0	112.8	A335 A413 R414 E419 A420 I421 T440	A335-C417 WeakPolarHBondContact CB-SG 3.37Å; A413-C417 PolarHBondContact O-N 2.95Å; R414-C417 PolarHBondContact O-N 3.33Å; R414-C417 VanDerWaalsContact O-N 3.17Å; C417-E419 VanDerWaalsContact C-N 3.34Å; C417-E419 PolarHBondContact O-N 3.29Å; C417-A420 PolarHBondContact O-N 2.65Å; C417-I421 WeakPolarHBondContact O-CG1 3.22Å; C417-I421 PolarHBondContact O-N 2.99Å; C417-T440 HydrophobicContact CB-CG2 3.61Å; C417-T440 WeakPolarHBondContact O-CG2 3.43Å; C417-T440 PolarHBondContact SG-O 3.13Å
418	E	98.4	Very high	98.1	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-43	175.7	-74	171.6	-161.6	0	0	111.9	R414 R415 I421 R422	R414-E418 HydrophobicContact CG-CG 4.39Å; R414-E418 WeakPolarHBondContact CG-OE1 3.34Å; R414-E418 WeakPolarHBondContact O-CG 3.43Å; R414-E418 PolarHBondContact O-N 3.49Å; R415-E418 IonicContact CZ-OE2 2.79Å; R415-E418 IonicContact NE-OE2 3.77Å; R415-E418 IonicContact NH1-OE2 2.8Å; R415-E418 PolarHBondContact NH1-OE2 3.31Å; E418-I421 PolarHBondContact O-N 2.75Å; E418-R422 WeakPolarHBondContact O-CB 3.48Å; E418-R422 PolarHBondContact O-N 2.94Å
419	E	98.8	Very high	98.1	Very high	50 Å²	50	56 Å²	56	23%	0.234	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-40.6	176.8	177.5	57.9	-159.7	0	0	112.1	N331 R415 Y416 C417 I421 R422 Q423	N331-E419 HydrophobicContact CB-CG 4.42Å; R415-E419 PolarHBondContact O-N 2.88Å; R415-E419 VanDerWaalsContact O-N 3.1Å; Y416-E419 PolarHBondContact O-N 3.14Å; C417-E419 VanDerWaalsContact C-N 3.34Å; C417-E419 PolarHBondContact O-N 3.29Å; E419-I421 PolarHBondContact O-N 2.8Å; E419-R422 VanDerWaalsContact CD-NH2 3.29Å; E419-R422 PolarHBondContact O-N 3.18Å; E419-R422 IonicContact OE1-CZ 2.69Å; E419-R422 IonicContact OE1-NE 3.34Å; E419-R422 IonicContact OE1-NH2 3.63Å; E419-R422 PolarHBondContact OE1-NH2 3.37Å; E419-R422 IonicContact OE2-CZ 3.43Å; E419-R422 VanDerWaalsContact OE2-CZ 3.31Å; E419-R422 IonicContact OE2-NE 3.36Å; E419-R422 PolarHBondContact OE2-NE 3.35Å; E419-R422 IonicContact OE2-NH2 3.59Å; E419-R422 PolarHBondContact OE2-NH2 3.41Å; E419-Q423 VanDerWaalsContact O-CG 3.32Å; E419-Q423 WeakPolarHBondContact O-CG 3.11Å; E419-Q423 PolarHBondContact O-N 3.28Å; E419-Q423 WeakPolarHBondContact OE1-CG 3.47Å; E419-Q423 PolarHBondContact OE1-NE2 3.15Å
420	A	98.6	Very high	98	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-46.7	173.5	0	0	0	0	0	111.4	Y328 N331 V332 Y416 C417 R422 Q423 I424 T440	Y328-A420 HydrophobicContact CD2-CB 3.97Å; Y328-A420 WeakPolarHBondContact CD2-O 2.94Å; Y328-A420 HydrophobicContact CE2-CB 4.28Å; N331-A420 HydrophobicContact CB-CB 3.85Å; V332-A420 HydrophobicContact CB-CB 4.31Å; Y416-A420 PolarHBondContact O-N 3.27Å; C417-A420 PolarHBondContact O-N 2.65Å; A420-R422 VanDerWaalsContact C-N 3.35Å; A420-R422 PolarHBondContact O-N 2.99Å; A420-Q423 PolarHBondContact O-N 3.3Å; A420-I424 PolarHBondContact O-N 3.46Å; A420-T440 HydrophobicContact CB-CG2 4.03Å
421	I	98.5	Very high	97.9	Very high	46 Å²	46	56.8 Å²	56.8	24%	0.236	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-42.8	175.7	-68.4	168.9	0	0	0	110.9	C417 E418 E419 Q423 S425 I437 T440 E441	C417-I421 WeakPolarHBondContact O-CG1 3.22Å; C417-I421 PolarHBondContact O-N 2.99Å; E418-I421 PolarHBondContact O-N 2.75Å; E419-I421 PolarHBondContact O-N 2.8Å; I421-Q423 VanDerWaalsContact C-N 3.32Å; I421-Q423 PolarHBondContact O-N 3Å; I421-S425 VanDerWaalsContact O-CB 3.24Å; I421-S425 WeakPolarHBondContact O-CB 3.4Å; I421-S425 PolarHBondContact O-N 3.5Å; I421-S425 PolarHBondContact O-OG 2.73Å; I421-I437 HydrophobicContact CD1-CG2 4.26Å; I421-I437 HydrophobicContact CG1-CG2 4.16Å; I421-I437 HydrophobicContact CG2-CG1 4.36Å; I421-I437 HydrophobicContact CG2-CG2 4.18Å; I421-T440 HydrophobicContact CD1-CG2 4.06Å; I421-T440 HydrophobicContact CG1-CG2 3.82Å; I421-E441 HydrophobicContact CD1-CG 4.46Å
422	R	98.6	Very high	97.8	Very high	138 Å²	138	51.4 Å²	51.4	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-40.6	177.2	-168.2	-174.7	71	83.4	-1.2	112.2	E418 E419 A420	E418-R422 WeakPolarHBondContact O-CB 3.48Å; E418-R422 PolarHBondContact O-N 2.94Å; E419-R422 VanDerWaalsContact CD-NH2 3.29Å; E419-R422 PolarHBondContact O-N 3.18Å; E419-R422 IonicContact OE1-CZ 2.69Å; E419-R422 IonicContact OE1-NE 3.34Å; E419-R422 IonicContact OE1-NH2 3.63Å; E419-R422 PolarHBondContact OE1-NH2 3.37Å; E419-R422 IonicContact OE2-CZ 3.43Å; E419-R422 VanDerWaalsContact OE2-CZ 3.31Å; E419-R422 IonicContact OE2-NE 3.36Å; E419-R422 PolarHBondContact OE2-NE 3.35Å; E419-R422 IonicContact OE2-NH2 3.59Å; E419-R422 PolarHBondContact OE2-NH2 3.41Å; A420-R422 VanDerWaalsContact C-N 3.35Å; A420-R422 PolarHBondContact O-N 2.99Å
423	Q	98.6	Very high	97.8	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.065	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-52.6	178.3	-66.5	-72	-2.6	0	0	111.5	I324 Q327 E419 A420 I421 S425 R426	I324-Q423 VanDerWaalsContact CG2-O 3.29Å; I324-Q423 WeakPolarHBondContact CG2-O 3.49Å; Q327-Q423 HydrophobicContact CB-CB 4.41Å; Q327-Q423 HydrophobicContact CB-CG 3.79Å; E419-Q423 VanDerWaalsContact O-CG 3.32Å; E419-Q423 WeakPolarHBondContact O-CG 3.11Å; E419-Q423 PolarHBondContact O-N 3.28Å; E419-Q423 WeakPolarHBondContact OE1-CG 3.47Å; E419-Q423 PolarHBondContact OE1-NE2 3.15Å; A420-Q423 PolarHBondContact O-N 3.3Å; I421-Q423 VanDerWaalsContact C-N 3.32Å; I421-Q423 PolarHBondContact O-N 3Å; Q423-S425 PolarHBondContact O-N 3.34Å; Q423-R426 VanDerWaalsContact O-CB 3.26Å; Q423-R426 WeakPolarHBondContact O-CB 3.42Å; Q423-R426 WeakPolarHBondContact O-CG 3.49Å; Q423-R426 PolarHBondContact O-N 2.72Å; Q423-R426 VanDerWaalsContact OE1-NH1 3.13Å
424	I	98.2	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-27.8	-177.2	-157.9	78.2	0	0	0	112.6	M177 Y328 A420 R426 L427 R433 L436 I437	M177-I424 HydrophobicContact CE-CD1 3.46Å; M177-I424 VanDerWaalsContact CE-CD1 3.46Å; M177-I424 HydrophobicContact SD-CD1 3.94Å; Y328-I424 HydrophobicContact CD1-CD1 4.5Å; Y328-I424 HydrophobicContact CD2-CB 3.65Å; Y328-I424 HydrophobicContact CD2-CD1 4.06Å; Y328-I424 HydrophobicContact CD2-CG1 4.15Å; Y328-I424 HydrophobicContact CD2-CG2 4.06Å; Y328-I424 HydrophobicContact CE2-CB 4.2Å; Y328-I424 HydrophobicContact CE2-CG1 4.47Å; Y328-I424 HydrophobicContact CE2-CG2 4.22Å; Y328-I424 HydrophobicContact CG-CB 4.32Å; Y328-I424 HydrophobicContact CG-CD1 3.99Å; A420-I424 PolarHBondContact O-N 3.46Å; I424-R426 PolarHBondContact O-N 3.04Å; I424-L427 HydrophobicContact CD1-CD1 3.47Å; I424-L427 VanDerWaalsContact CD1-CD1 3.47Å; I424-L427 HydrophobicContact CD1-CG 4.43Å; I424-L427 HydrophobicContact CG1-CD1 4.05Å; I424-L427 WeakPolarHBondContact O-CB 3.12Å; I424-L427 PolarHBondContact O-N 2.92Å; I424-R433 HydrophobicContact CG1-CG 3.96Å; I424-R433 WeakPolarHBondContact O-CD 3.3Å; I424-R433 WeakPolarHBondContact O-CG 3.46Å; I424-L436 HydrophobicContact CD1-CD1 3.66Å; I424-L436 HydrophobicContact CG1-CB 4.15Å; I424-L436 HydrophobicContact CG1-CD1 4.02Å; I424-I437 HydrophobicContact CG2-CD1 4.22Å; I424-I437 HydrophobicContact CG2-CG1 3.52Å
425	S	98.1	Very high	97.6	Very high	54 Å²	54	48.5 Å²	48.5	38%	0.378	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	174.8	-63.6	0	0	0	0	114	I421 Q423 L427	I421-S425 VanDerWaalsContact O-CB 3.24Å; I421-S425 WeakPolarHBondContact O-CB 3.4Å; I421-S425 PolarHBondContact O-N 3.5Å; I421-S425 PolarHBondContact O-OG 2.73Å; Q423-S425 PolarHBondContact O-N 3.34Å; S425-L427 PolarHBondContact O-N 2.71Å
426	R	97.7	Very high	97.5	Very high	112 Å²	112	42.7 Å²	42.7	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.5	172.9	-62.2	170.4	63.7	-166.2	-0.6	112.7	E320 I324 Q423 I424	E320-R426 IonicContact OE2-NH2 2.76Å; E320-R426 PolarHBondContact OE2-NH2 3.18Å; I324-R426 HydrophobicContact CD1-CB 3.71Å; I324-R426 HydrophobicContact CG1-CB 4.27Å; Q423-R426 VanDerWaalsContact O-CB 3.26Å; Q423-R426 WeakPolarHBondContact O-CB 3.42Å; Q423-R426 WeakPolarHBondContact O-CG 3.49Å; Q423-R426 PolarHBondContact O-N 2.72Å; Q423-R426 VanDerWaalsContact OE1-NH1 3.13Å; I424-R426 PolarHBondContact O-N 3.04Å
427	L	97.4	Very high	97.5	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	-76.1	157.4	175.5	-55.9	179.1	0	0	0	111.5	M181 I324 I424 S425 R433	M181-L427 HydrophobicContact CE-CD1 3.56Å; M181-L427 HydrophobicContact CE-CD2 3.75Å; M181-L427 HydrophobicContact CE-CG 4.29Å; M181-L427 HydrophobicContact SD-CD2 4.28Å; I324-L427 HydrophobicContact CB-CD2 4.46Å; I324-L427 HydrophobicContact CD1-CD2 4.26Å; I324-L427 HydrophobicContact CG2-CD1 4.4Å; I324-L427 HydrophobicContact CG2-CD2 3.79Å; I324-L427 HydrophobicContact CG2-CG 3.92Å; I424-L427 HydrophobicContact CD1-CD1 3.47Å; I424-L427 VanDerWaalsContact CD1-CD1 3.47Å; I424-L427 HydrophobicContact CD1-CG 4.43Å; I424-L427 HydrophobicContact CG1-CD1 4.05Å; I424-L427 WeakPolarHBondContact O-CB 3.12Å; I424-L427 PolarHBondContact O-N 2.92Å; S425-L427 PolarHBondContact O-N 2.71Å; L427-R433 HydrophobicContact CB-CG 4.35Å; L427-R433 WeakPolarHBondContact O-CD 3.48Å; L427-R433 PolarHBondContact O-NH1 3.11Å
428	R	96.2	Very high	97.3	Very high	105 Å²	105	47.1 Å²	47.1	40%	0.396	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-54.2	134.7	174.7	-179.9	-178.5	-72.2	168.2	-9.4	110.5	I183 H184 N186 S430	I183-R428 PolarHBondContact O-NH1 2.78Å; H184-R428 HydrophobicContact CB-CB 4.44Å; H184-R428 PolarHBondContact ND1-N 3.35Å; N186-R428 PolarHBondContact OD1-NH1 2.61Å; N186-R428 PolarHBondContact OD1-NH2 2.92Å; R428-S430 PolarHBondContact O-N 3.1Å; R428-S430 PolarHBondContact O-OG 3.34Å
429	P	96.7	Very high	97.1	Very high	75 Å²	75	43.5 Å²	43.5	49%	0.487	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-49.3	127.7	171.7	-27	33.7	0	0	0	112.7
430	S	96.1	Very high	96.9	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	19%	0.192	C	C	.	.			trans	-161.6	151.3	179.7	50.8	0	0	0	0	109.9	R428 E432 R433 D434	R428-S430 PolarHBondContact O-N 3.1Å; R428-S430 PolarHBondContact O-OG 3.34Å; S430-E432 PolarHBondContact O-N 3.32Å; S430-E432 VanDerWaalsContact O-N 3.16Å; S430-R433 PolarHBondContact O-N 3.12Å; S430-R433 VanDerWaalsContact O-N 3.13Å; S430-R433 VanDerWaalsContact OG-CB 3.27Å; S430-R433 WeakPolarHBondContact OG-CB 3.4Å; S430-R433 PolarHBondContact OG-N 3.01Å; S430-D434 VanDerWaalsContact O-CG 3.31Å; S430-D434 PolarHBondContact O-N 3.3Å
431	P	95.6	Very high	96.7	Very high	56 Å²	56	44.9 Å²	44.9	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-53.7	-34.3	175.5	-26	34.8	0	0	0	113.3	L131 A435	L131-P431 HydrophobicContact CD2-CB 4.1Å; P431-A435 VanDerWaalsContact O-CB 3.25Å; P431-A435 WeakPolarHBondContact O-CB 3.48Å; P431-A435 PolarHBondContact O-N 3.01Å
432	E	96.2	Very high	96.4	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-72.3	-40.7	179.6	-68.6	77	-175.5	0	0	112.5	L131 L176 R179 A180 I183 S430 D434 A435 L436	L131-E432 HydrophobicContact CD2-CB 4.48Å; L131-E432 HydrophobicContact CD2-CG 3.93Å; L176-E432 HydrophobicContact CD2-CB 4.46Å; L176-E432 HydrophobicContact CD2-CG 4.2Å; R179-E432 HydrophobicContact CB-CB 4.44Å; R179-E432 HydrophobicContact CB-CG 3.74Å; R179-E432 IonicContact CZ-OE1 2.68Å; R179-E432 IonicContact NE-OE1 3.29Å; R179-E432 IonicContact NH2-OE1 3.95Å; R179-E432 PolarHBondContact NH2-OE1 2.9Å; A180-E432 HydrophobicContact CB-CB 3.94Å; I183-E432 WeakPolarHBondContact CD1-OE2 3.47Å; S430-E432 PolarHBondContact O-N 3.32Å; S430-E432 VanDerWaalsContact O-N 3.16Å; E432-D434 VanDerWaalsContact C-N 3.33Å; E432-A435 PolarHBondContact O-N 3.29Å; E432-L436 WeakPolarHBondContact O-CG 3.27Å; E432-L436 PolarHBondContact O-N 2.72Å
433	R	96.8	Very high	96.1	Very high	39 Å²	39	38.8 Å²	38.8	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-44.5	171.2	-174.7	-156.8	69.1	169.5	0.6	110.8	I424 L427 S430 A435 L436 I437	I424-R433 HydrophobicContact CG1-CG 3.96Å; I424-R433 WeakPolarHBondContact O-CD 3.3Å; I424-R433 WeakPolarHBondContact O-CG 3.46Å; L427-R433 HydrophobicContact CB-CG 4.35Å; L427-R433 WeakPolarHBondContact O-CD 3.48Å; L427-R433 PolarHBondContact O-NH1 3.11Å; S430-R433 PolarHBondContact O-N 3.12Å; S430-R433 VanDerWaalsContact O-N 3.13Å; S430-R433 VanDerWaalsContact OG-CB 3.27Å; S430-R433 WeakPolarHBondContact OG-CB 3.4Å; S430-R433 PolarHBondContact OG-N 3.01Å; R433-A435 VanDerWaalsContact C-N 3.32Å; R433-A435 PolarHBondContact O-N 2.68Å; R433-L436 WeakPolarHBondContact O-CB 3.38Å; R433-L436 PolarHBondContact O-N 3.05Å; R433-I437 PolarHBondContact O-N 3.2Å; R433-I437 VanDerWaalsContact O-N 3.08Å
434	D	96.9	Very high	95.6	Very high	52 Å²	52	40.5 Å²	40.5	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-71.4	-31.3	-177.5	-59.7	-14.6	0	0	0	111.1	L125 S430 E432 I437 R438	L125-D434 HydrophobicContact CD2-CB 4.3Å; S430-D434 VanDerWaalsContact O-CG 3.31Å; S430-D434 PolarHBondContact O-N 3.3Å; E432-D434 VanDerWaalsContact C-N 3.33Å; D434-I437 PolarHBondContact O-N 2.87Å; D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 PolarHBondContact O-N 2.9Å
435	A	96.3	Very high	95	Very high	2 Å²	2	45 Å²	45	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-34.1	169.6	0	0	0	0	0	113.3	P128 L131 L176 P431 E432 R433 R438 L439	P128-A435 HydrophobicContact CB-CB 4Å; P128-A435 HydrophobicContact CG-CB 4.03Å; P128-A435 WeakPolarHBondContact CG-O 3.36Å; L131-A435 HydrophobicContact CD2-CB 3.84Å; L176-A435 HydrophobicContact CD1-CB 3.95Å; L176-A435 HydrophobicContact CD2-CB 4.38Å; P431-A435 VanDerWaalsContact O-CB 3.25Å; P431-A435 WeakPolarHBondContact O-CB 3.48Å; P431-A435 PolarHBondContact O-N 3.01Å; E432-A435 PolarHBondContact O-N 3.29Å; R433-A435 VanDerWaalsContact C-N 3.32Å; R433-A435 PolarHBondContact O-N 2.68Å; A435-R438 PolarHBondContact O-N 3.48Å; A435-L439 WeakPolarHBondContact O-CG 3.5Å; A435-L439 PolarHBondContact O-N 3.24Å
436	L	97.5	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-40.6	172.6	-71.1	164.9	0	0	0	112	L176 M177 A180 Y328 I424 E432 R433 R438 L439 T440	L176-L436 HydrophobicContact CB-CD1 4.35Å; L176-L436 HydrophobicContact CB-CD2 3.74Å; L176-L436 HydrophobicContact CB-CG 3.87Å; M177-L436 HydrophobicContact CB-CD1 4.41Å; M177-L436 HydrophobicContact CE-CD1 4.33Å; A180-L436 HydrophobicContact CB-CD1 4.32Å; Y328-L436 HydrophobicContact CE1-CD2 3.78Å; Y328-L436 HydrophobicContact CE2-CB 4.09Å; Y328-L436 WeakPolarHBondContact OH-CD2 3.39Å; Y328-L436 PolarHBondContact OH-O 2.69Å; I424-L436 HydrophobicContact CD1-CD1 3.66Å; I424-L436 HydrophobicContact CG1-CB 4.15Å; I424-L436 HydrophobicContact CG1-CD1 4.02Å; E432-L436 WeakPolarHBondContact O-CG 3.27Å; E432-L436 PolarHBondContact O-N 2.72Å; R433-L436 WeakPolarHBondContact O-CB 3.38Å; R433-L436 PolarHBondContact O-N 3.05Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.03Å; L436-L439 PolarHBondContact O-N 3.35Å; L436-T440 PolarHBondContact O-N 3.46Å; L436-T440 PolarHBondContact O-OG1 2.85Å
437	I	97.1	Very high	93	Very high	30 Å²	30	43.7 Å²	43.7	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-49.2	170.2	-65.6	171.6	0	0	0	109.4	I421 I424 R433 D434 L439 T440 E441	I421-I437 HydrophobicContact CD1-CG2 4.26Å; I421-I437 HydrophobicContact CG1-CG2 4.16Å; I421-I437 HydrophobicContact CG2-CG1 4.36Å; I421-I437 HydrophobicContact CG2-CG2 4.18Å; I424-I437 HydrophobicContact CG2-CD1 4.22Å; I424-I437 HydrophobicContact CG2-CG1 3.52Å; R433-I437 PolarHBondContact O-N 3.2Å; R433-I437 VanDerWaalsContact O-N 3.08Å; D434-I437 PolarHBondContact O-N 2.87Å; I437-L439 PolarHBondContact O-N 3.09Å; I437-T440 WeakPolarHBondContact O-CB 3.41Å; I437-T440 PolarHBondContact O-N 3.41Å; I437-E441 PolarHBondContact O-N 3.02Å; I437-E441 VanDerWaalsContact O-N 3.1Å
438	R	94.9	Very high	91.1	Very high	112 Å²	112	51.4 Å²	51.4	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-36.6	179.6	-172.9	53.7	172.6	-171.5	1.7	113.6	P128 D434 A435 L436 T440 E441 I442	P128-R438 HydrophobicContact CG-CB 3.99Å; P128-R438 HydrophobicContact CG-CG 4.04Å; D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 PolarHBondContact O-N 2.9Å; A435-R438 PolarHBondContact O-N 3.48Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.03Å; R438-T440 VanDerWaalsContact C-N 3.31Å; R438-T440 PolarHBondContact O-N 2.91Å; R438-E441 WeakPolarHBondContact CD-OE2 3.23Å; R438-E441 IonicContact CZ-OE2 2.73Å; R438-E441 IonicContact NE-OE2 3.64Å; R438-E441 IonicContact NH1-OE2 3.93Å; R438-E441 PolarHBondContact NH1-OE2 3.07Å; R438-E441 WeakPolarHBondContact O-CB 3.19Å; R438-E441 PolarHBondContact O-N 3.3Å; R438-I442 HydrophobicContact CG-CD1 4.14Å; R438-I442 VanDerWaalsContact O-CG1 3.28Å; R438-I442 WeakPolarHBondContact O-CG1 3.46Å; R438-I442 PolarHBondContact O-N 2.92Å
439	L	94.1	Very high	90.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-40	171.7	-80.9	164.3	0	0	0	111.9	P128 F129 I172 I173 L176 A435 L436 I437 E441 I442 V443	P128-L439 HydrophobicContact CB-CD1 3.75Å; P128-L439 HydrophobicContact CB-CD2 3.87Å; P128-L439 HydrophobicContact CB-CG 3.51Å; P128-L439 HydrophobicContact CG-CD1 4.49Å; P128-L439 HydrophobicContact CG-CD2 4.29Å; P128-L439 HydrophobicContact CG-CG 3.81Å; F129-L439 HydrophobicContact CE2-CD2 4.25Å; F129-L439 HydrophobicContact CZ-CD2 4.32Å; I172-L439 HydrophobicContact CG2-CD1 3.61Å; I172-L439 HydrophobicContact CG2-CD2 4.4Å; I173-L439 HydrophobicContact CG1-CD1 4.25Å; L176-L439 HydrophobicContact CD1-CD1 3.52Å; A435-L439 WeakPolarHBondContact O-CG 3.5Å; A435-L439 PolarHBondContact O-N 3.24Å; L436-L439 PolarHBondContact O-N 3.35Å; I437-L439 PolarHBondContact O-N 3.09Å; L439-E441 VanDerWaalsContact C-N 3.28Å; L439-E441 PolarHBondContact O-N 3.27Å; L439-I442 PolarHBondContact O-N 3.45Å; L439-V443 WeakPolarHBondContact O-CG2 3.3Å; L439-V443 PolarHBondContact O-N 3.38Å
440	T	95.8	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-34.2	178.7	-54.5	0	0	0	0	111.8	Y328 V332 C417 A420 I421 L436 I437 R438	Y328-T440 WeakPolarHBondContact CE2-OG1 3.44Å; Y328-T440 PolarHBondContact OH-OG1 2.6Å; V332-T440 HydrophobicContact CG2-CG2 4.34Å; C417-T440 HydrophobicContact CB-CG2 3.61Å; C417-T440 WeakPolarHBondContact O-CG2 3.43Å; C417-T440 PolarHBondContact SG-O 3.13Å; A420-T440 HydrophobicContact CB-CG2 4.03Å; I421-T440 HydrophobicContact CD1-CG2 4.06Å; I421-T440 HydrophobicContact CG1-CG2 3.82Å; L436-T440 PolarHBondContact O-N 3.46Å; L436-T440 PolarHBondContact O-OG1 2.85Å; I437-T440 WeakPolarHBondContact O-CB 3.41Å; I437-T440 PolarHBondContact O-N 3.41Å; R438-T440 VanDerWaalsContact C-N 3.31Å; R438-T440 PolarHBondContact O-N 2.91Å
441	E	93.4	Very high	90.2	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-47	169.6	-62.8	172.9	167.2	0	0	111.8	I421 I437 R438 L439 V443 L444 S445	I421-E441 HydrophobicContact CD1-CG 4.46Å; I437-E441 PolarHBondContact O-N 3.02Å; I437-E441 VanDerWaalsContact O-N 3.1Å; R438-E441 WeakPolarHBondContact CD-OE2 3.23Å; R438-E441 IonicContact CZ-OE2 2.73Å; R438-E441 IonicContact NE-OE2 3.64Å; R438-E441 IonicContact NH1-OE2 3.93Å; R438-E441 PolarHBondContact NH1-OE2 3.07Å; R438-E441 WeakPolarHBondContact O-CB 3.19Å; R438-E441 PolarHBondContact O-N 3.3Å; L439-E441 VanDerWaalsContact C-N 3.28Å; L439-E441 PolarHBondContact O-N 3.27Å; E441-V443 VanDerWaalsContact C-N 3.29Å; E441-V443 PolarHBondContact O-N 3.33Å; E441-L444 WeakPolarHBondContact O-CB 3.2Å; E441-L444 PolarHBondContact O-N 3.13Å; E441-S445 PolarHBondContact O-N 3.49Å
442	I	92	Very high	89.9	Confident	52 Å²	52	49.2 Å²	49.2	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-38.2	179.1	-70.1	163.7	0	0	0	111.6	P128 F129 R438 L439 L444 S445 R446	P128-I442 HydrophobicContact CG-CD1 4.49Å; F129-I442 HydrophobicContact CE2-CD1 4.42Å; R438-I442 HydrophobicContact CG-CD1 4.14Å; R438-I442 VanDerWaalsContact O-CG1 3.28Å; R438-I442 WeakPolarHBondContact O-CG1 3.46Å; R438-I442 PolarHBondContact O-N 2.92Å; L439-I442 PolarHBondContact O-N 3.45Å; I442-L444 PolarHBondContact O-N 3.5Å; I442-S445 PolarHBondContact O-N 3.29Å; I442-R446 PolarHBondContact O-N 3.32Å
443	V	91.6	Very high	89.5	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-34.1	175.5	167.5	0	0	0	0	111.9	V332 F336 L439 E441 R446	V332-V443 HydrophobicContact CG2-CG2 4.24Å; F336-V443 HydrophobicContact CB-CG1 4.06Å; F336-V443 HydrophobicContact CD2-CG1 3.99Å; F336-V443 HydrophobicContact CD2-CG2 3.96Å; F336-V443 HydrophobicContact CG-CG1 4.48Å; L439-V443 WeakPolarHBondContact O-CG2 3.3Å; L439-V443 PolarHBondContact O-N 3.38Å; E441-V443 VanDerWaalsContact C-N 3.29Å; E441-V443 PolarHBondContact O-N 3.33Å; V443-R446 WeakPolarHBondContact O-CG 3.12Å
444	L	88.5	Confident	89.1	Confident	50 Å²	50	52.2 Å²	52.2	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-84	-23.9	-178.1	-159.2	72.9	0	0	0	113.2	V339 A413 R414 E441 I442	V339-L444 HydrophobicContact CG2-CD1 4.34Å; A413-L444 HydrophobicContact CB-CD1 3.83Å; R414-L444 HydrophobicContact CB-CD1 4.2Å; R414-L444 HydrophobicContact CB-CD2 3.89Å; R414-L444 HydrophobicContact CG-CD2 3.83Å; E441-L444 WeakPolarHBondContact O-CB 3.2Å; E441-L444 PolarHBondContact O-N 3.13Å; I442-L444 PolarHBondContact O-N 3.5Å
445	S	86.9	Confident	88.5	Confident	95 Å²	95	52.2 Å²	52.2	66%	0.664	26%	0.258	S	S	*	.	S	Bend	trans	-105.7	12.2	-177.9	75.2	0	0	0	0	114.2	E441 I442	E441-S445 PolarHBondContact O-N 3.49Å; I442-S445 PolarHBondContact O-N 3.29Å
446	R	82.4	Confident	87.9	Confident	31 Å²	31	56.1 Å²	56.1	12%	0.117	28%	0.276	C	S	.	.			trans	-77.7	144.9	-177.8	69.3	-173.4	176.3	118.1	-12.3	112.1	F336 V339 D340 L343 I442 V443	F336-R446 PolarHBondContact O-NH2 3.25Å; V339-R446 HydrophobicContact CG1-CG 3.77Å; D340-R446 IonicContact OD1-CZ 3.39Å; D340-R446 IonicContact OD1-NH1 3.23Å; D340-R446 PolarHBondContact OD1-NH1 3.17Å; D340-R446 IonicContact OD1-NH2 2.69Å; D340-R446 PolarHBondContact OD1-NH2 3.08Å; D340-R446 IonicContact OD2-CZ 3.69Å; D340-R446 IonicContact OD2-NH1 3.52Å; D340-R446 IonicContact OD2-NH2 2.67Å; D340-R446 PolarHBondContact OD2-NH2 3.47Å; L343-R446 HydrophobicContact CD1-CG 4.27Å; I442-R446 PolarHBondContact O-N 3.32Å; V443-R446 WeakPolarHBondContact O-CG 3.12Å
447	D	70.6	Confident	87.1	Confident	107 Å²	107	60.8 Å²	60.8	57%	0.572	30%	0.299	S	S	*	.			trans	-98.4	-15.8	177.4	64.3	-33.8	0	0	0	112.9
448	K	57.9	Low	86.2	Confident	166 Å²	166	63.5 Å²	63.5	72%	0.722	31%	0.312	S	S	*	.			trans	-154.9	0	-171	-61.7	177.9	-172.1	161.6	0	112.2	K167	K167-K448 PolarHBondContact NZ-O 2.64Å; K167-K448 PolarHBondContact NZ-OXT 3.27Å

Retrieved 448 of 448 residues in 147.7 ms (Link to these results)

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