A0A087XNY8_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XNY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	36.9	Very low	243 Å²	243	153.4 Å²	153.4	100%	1.197	84%	0.844	S	S	*	*				0	113	0	-94.1	175	160.2	0	0	107
2	E	32.3	Very low	36.1	Very low	194 Å²	194	149.6 Å²	149.6	91%	0.907	84%	0.837	S	S	*	*			trans	45.5	150.3	160.4	-76.7	-168.1	145.6	0	0	123
3	P	44.3	Very low	35.5	Very low	115 Å²	115	151.8 Å²	151.8	75%	0.747	84%	0.844	S	S	*	*			trans	-120.2	-175.5	-141.1	36	-14.6	0	0	0	113.7
4	P	63.1	Low	35	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	84%	0.84	S	S	*	*			trans	-95.6	-174.1	-164.2	43.7	-35.3	0	0	0	111.6
5	P	50.7	Low	34.6	Very low	123 Å²	123	150.1 Å²	150.1	80%	0.799	84%	0.842	S	S	*	*				-165.4	-179.3	78.4	41.6	-16.8	0	0	0	119.2
6	C	32.5	Very low	34.4	Very low	118 Å²	118	148.5 Å²	148.5	80%	0.797	84%	0.84	S	S	*	*			trans	-42.3	154.5	160.2	-162.3	0	0	0	0	117.8
7	S	29.1	Very low	34.2	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	84%	0.84	S	S	*	*				166.5	149	116.8	61	0	0	0	0	115.8
8	K	36.7	Very low	34.4	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.857	84%	0.835	S	S	*	*			trans	-69.9	151.8	166.7	-61.5	172.1	174.2	178.5	0	111.4
9	K	30.1	Very low	34.1	Very low	212 Å²	212	151.6 Å²	151.6	92%	0.922	84%	0.841	S	S	*	*			trans	-178.9	137.1	130.9	-102.2	170.2	-174.3	-176.9	0	115.5
10	S	28	Very low	33.9	Very low	99 Å²	99	154.2 Å²	154.2	69%	0.692	85%	0.846	S	S	*	*			trans	-23.2	151.5	155.6	-165.3	0	0	0	0	121.1
11	L	27.9	Very low	33.6	Very low	157 Å²	157	150.3 Å²	150.3	82%	0.822	84%	0.842	S	S	*	*				139.9	125.6	124.9	-78.2	167.6	0	0	0	113.4
12	S	26.9	Very low	33.6	Very low	108 Å²	108	148.6 Å²	148.6	76%	0.755	83%	0.831	S	S	*	*				149.3	127.8	102.3	68.4	0	0	0	0	113.8
13	L	28.2	Very low	33.4	Very low	179 Å²	179	143.5 Å²	143.5	94%	0.937	82%	0.822	S	S	*	*			trans	-60.8	141.9	163.1	-77.9	138	0	0	0	112.1
14	S	28.6	Very low	32.8	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	83%	0.827	S	S	*	*			trans	-143.4	116.8	157.6	43.6	0	0	0	0	111.2
15	L	29.1	Very low	31.2	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	84%	0.835	S	S	*	*			trans	-71.2	154.9	164.9	-77.7	153.8	0	0	0	110.8
16	P	31.8	Very low	30.2	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	84%	0.837	S	S	*	*			trans	-114.3	136.2	145.9	3.9	17.2	0	0	0	112.6
17	V	31.1	Very low	30.2	Very low	139 Å²	139	150.4 Å²	150.4	84%	0.842	83%	0.832	S	S	*	*			trans	-80	160.7	175.6	159.5	0	0	0	0	110.4
18	P	36.9	Very low	30.2	Very low	115 Å²	115	150.6 Å²	150.6	75%	0.747	83%	0.831	S	S	*	*			trans	-93.6	158.8	-143.5	36.5	-32.6	0	0	0	114.4
19	R	28.6	Very low	30	Very low	251 Å²	251	149.5 Å²	149.5	95%	0.947	83%	0.829	S	S	*	*			trans	-109.3	119.7	163.1	-93.2	-175.7	171.5	174.4	-2.2	109.8
20	E	30.1	Very low	30	Very low	202 Å²	202	147.3 Å²	147.3	94%	0.944	82%	0.822	S	S	*	*			trans	-61.8	139.4	163.3	-68.9	175.5	143	0	0	110.5
21	G	28.6	Very low	30.1	Very low	74 Å²	74	150.3 Å²	150.3	76%	0.763	83%	0.829	S	S	*	*			trans	171	88.3	175.1	0	0	0	0	0	110.8	A23	G21-A23 PolarHBondContact O-N 3.46Å
22	Q	31.5	Very low	30.2	Very low	207 Å²	207	154.8 Å²	154.8	97%	0.967	84%	0.835	S	S	*	*			trans	-58.3	118.7	170.5	-77.5	173.1	-27.2	0	0	110.4
23	A	28.1	Very low	30.3	Very low	86 Å²	86	161.1 Å²	161.1	71%	0.711	84%	0.843	S	S	*	*			trans	-131.3	103.2	159.8	0	0	0	0	0	108	G21 L25	G21-A23 PolarHBondContact O-N 3.46Å; A23-L25 PolarHBondContact O-N 2.71Å; A23-L25 VanDerWaalsContact O-N 3.14Å
24	T	31.2	Very low	30.5	Very low	140 Å²	140	161.7 Å²	161.7	86%	0.859	84%	0.84	S	S	*	*			trans	-66.1	99.8	172.1	35.4	0	0	0	0	109.6	K26	T24-K26 PolarHBondContact O-N 2.69Å
25	L	29.2	Very low	30.7	Very low	171 Å²	171	161.4 Å²	161.4	90%	0.895	84%	0.836	S	S	*	*			trans	-83.2	112.5	169.2	-75.5	167.4	0	0	0	109.1	A23	A23-L25 PolarHBondContact O-N 2.71Å; A23-L25 VanDerWaalsContact O-N 3.14Å
26	K	30.7	Very low	30.9	Very low	194 Å²	194	165.5 Å²	165.5	84%	0.843	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-65.4	147	175.3	-68.9	177.4	174.8	-179.4	0	111	T24	T24-K26 PolarHBondContact O-N 2.69Å
27	P	31.2	Very low	30.8	Very low	109 Å²	109	165.6 Å²	165.6	71%	0.708	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71	146.1	170	30.1	-32.5	0	0	0	110.7	Q29	P27-Q29 PolarHBondContact O-N 3.37Å
28	P	29.6	Very low	30.7	Very low	120 Å²	120	164.7 Å²	164.7	78%	0.779	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-73.5	118.7	179.4	27.7	-30.1	0	0	0	111
29	Q	32.3	Very low	30.4	Very low	174 Å²	174	167 Å²	167	81%	0.813	84%	0.84	S	S	*	*			trans	-97.2	68	175.6	-80.2	-172.5	-35	0	0	111.7	P27	P27-Q29 PolarHBondContact O-N 3.37Å
30	H	30.9	Very low	30.3	Very low	167 Å²	167	164.2 Å²	164.2	77%	0.773	84%	0.835	S	S	*	*			trans	-147.9	71.3	173.2	-35	-69.2	0	0	0	113.2
31	L	30	Very low	30.2	Very low	162 Å²	162	161.8 Å²	161.8	85%	0.848	83%	0.827	S	S	*	*			trans	-136.1	44.3	165.6	-86.6	175.7	0	0	0	112
32	W	30.5	Very low	30.2	Very low	250 Å²	250	167.9 Å²	167.9	95%	0.947	83%	0.832	S	S	*	*			trans	-151.5	99.9	164.2	-66.8	106.4	0	0	0	110
33	R	28.8	Very low	30	Very low	242 Å²	242	166.9 Å²	166.9	91%	0.913	83%	0.827	S	S	*	*			trans	-177.3	94.3	152.1	-102.4	173.2	-150.6	-92	2.2	109.6	P35	R33-P35 WeakPolarHBondContact O-CD 3.32Å
34	Q	32.6	Very low	30.1	Very low	190 Å²	190	174.9 Å²	174.9	89%	0.888	84%	0.839	S	S	*	*			trans	-66.2	127.6	159.4	-77.8	-112.7	-10.7	0	0	109.6
35	P	31.3	Very low	29.9	Very low	108 Å²	108	171.5 Å²	171.5	70%	0.701	83%	0.832	S	S	*	*			trans	-88.8	114.5	166.9	2.7	16.2	0	0	0	110.2	R33 T37	R33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-T37 PolarHBondContact O-N 3.36Å
36	R	33.1	Very low	29.7	Very low	250 Å²	250	174.1 Å²	174.1	94%	0.943	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-60.2	116.4	165.1	-70.6	178.9	169.5	179.4	-3.8	109.6
37	T	31.6	Very low	29.6	Very low	127 Å²	127	170.6 Å²	170.6	78%	0.779	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-98.9	128.1	170.4	44.1	0	0	0	0	110.6	P35	P35-T37 PolarHBondContact O-N 3.36Å
38	P	28.8	Very low	29.4	Very low	120 Å²	120	171.8 Å²	171.8	78%	0.779	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-84	127.6	175.2	29.9	-29.8	0	0	0	111.3	K40	P38-K40 PolarHBondContact O-N 3.07Å
39	I	29.1	Very low	29.5	Very low	163 Å²	163	172.6 Å²	172.6	84%	0.836	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.1	176.1	-64.8	168.5	0	0	0	109.8
40	K	27.2	Very low	29.3	Very low	193 Å²	193	170.9 Å²	170.9	84%	0.839	83%	0.831	S	S	*	*			trans	-90.7	111.6	171.7	-77.2	-178.6	177	175.7	0	110.1	P38 K42	P38-K40 PolarHBondContact O-N 3.07Å; K40-K42 PolarHBondContact O-N 3.07Å
41	I	28.2	Very low	29.1	Very low	151 Å²	151	174.5 Å²	174.5	77%	0.774	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.1	121.5	171.1	-61.4	170.6	0	0	0	109
42	K	28.7	Very low	28.9	Very low	202 Å²	202	174.3 Å²	174.3	88%	0.878	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-97.7	119.7	170.2	-85.9	-175.5	177	176	0	110.3	K40	K40-K42 PolarHBondContact O-N 3.07Å
43	H	27.5	Very low	28.8	Very low	186 Å²	186	171.7 Å²	171.7	86%	0.861	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-68.4	133.4	165.2	-94.8	-84.5	0	0	0	112.1
44	R	28.8	Very low	28.6	Very low	253 Å²	253	168 Å²	168	96%	0.955	82%	0.823	S	S	*	*			trans	-167.9	134.9	155.7	-119.4	179.3	174.8	-179.6	-2.6	105.2
45	G	27	Very low	28.4	Very low	70 Å²	70	169.3 Å²	169.3	72%	0.722	82%	0.82	S	S	*	*			cis	145.2	107.2	16.6	0	0	0	0	0	104.1
46	Y	25.2	Very low	28.1	Very low	225 Å²	225	171.3 Å²	171.3	88%	0.882	82%	0.82	S	S	*	*			trans	-69.8	143.7	-175.4	-89.4	-96.3	0	0	0	112.4
47	S	29.9	Very low	27.7	Very low	120 Å²	120	166.6 Å²	166.6	84%	0.839	81%	0.81	S	S	*	*			trans	-156.8	111	147.2	57.3	0	0	0	0	110.6
48	D	27	Very low	27.6	Very low	135 Å²	135	169.5 Å²	169.5	72%	0.722	82%	0.815	S	S	*	*			trans	-65.2	158.3	170.7	-86.3	-46	0	0	0	113.8
49	T	30.4	Very low	27.7	Very low	136 Å²	136	174.6 Å²	174.6	83%	0.834	82%	0.819	S	S	*	*				-171	106.2	123	21.2	0	0	0	0	112
50	D	28.1	Very low	27.6	Very low	139 Å²	139	171.8 Å²	171.8	74%	0.743	81%	0.814	S	S	*	*			trans	28.6	130.3	133.4	-75.9	-24.4	0	0	0	121.7
51	R	27.4	Very low	27.7	Very low	243 Å²	243	169.7 Å²	169.7	92%	0.917	81%	0.811	S	S	*	*				176	144.2	85.3	-126.1	166.8	-176.9	-174.5	-0.2	114.4
52	H	25.7	Very low	27.8	Very low	157 Å²	157	166.9 Å²	166.9	73%	0.727	81%	0.811	S	S	*	*			trans	-64.1	161	-178.4	-61.4	-22.9	0	0	0	117.7
53	H	28.5	Very low	27.9	Very low	195 Å²	195	164.4 Å²	164.4	90%	0.903	81%	0.813	S	S	*	*				-166.8	163.2	113.1	-94.7	-28.2	0	0	0	115.8
54	H	25.3	Very low	28.1	Very low	166 Å²	166	161.7 Å²	161.7	77%	0.769	80%	0.804	S	S	*	*			trans	-101	169.3	-151.8	-102.9	-61	0	0	0	116.3
55	R	27.1	Very low	28.1	Very low	216 Å²	216	156.4 Å²	156.4	82%	0.815	80%	0.8	S	S	*	*			trans	82.8	149.3	149.1	-83.3	166.8	175.4	-165	3.5	116.8
56	H	25.4	Very low	28.2	Very low	150 Å²	150	157.5 Å²	157.5	69%	0.694	80%	0.797	S	S	*	*			cis	-156.4	163	22.9	-148.5	-90	0	0	0	112.8
57	M	26	Very low	28.4	Very low	151 Å²	151	154.7 Å²	154.7	74%	0.744	80%	0.797	S	S	*	*			trans	-73	146.8	177.4	-173.2	163.2	80.6	0	0	114
58	E	28.7	Very low	28.5	Very low	188 Å²	188	159.9 Å²	159.9	88%	0.879	80%	0.798	S	S	*	*				-178.9	164.3	122.4	-109.9	178.9	173.5	0	0	115.4
59	R	29.8	Very low	28.9	Very low	227 Å²	227	159.6 Å²	159.6	86%	0.857	80%	0.804	S	S	*	*			trans	-133.2	139.4	-155.1	179.1	-167.7	-164.8	-168.6	5	108.4
60	S	27.9	Very low	28.8	Very low	105 Å²	105	156.9 Å²	156.9	73%	0.734	80%	0.803	S	S	*	*			trans	-164.2	113.1	159.7	-36.2	0	0	0	0	109.3
61	D	29.8	Very low	28.8	Very low	148 Å²	148	158.3 Å²	158.3	79%	0.791	81%	0.809	S	S	*	*				76.8	102.8	100.6	-63.3	-27.2	0	0	0	113.4
62	A	30.5	Very low	28.8	Very low	92 Å²	92	156.8 Å²	156.8	76%	0.76	81%	0.81	S	S	*	*				74.3	110.6	74.9	0	0	0	0	0	114.7
63	V	31	Very low	29	Very low	151 Å²	151	159.3 Å²	159.3	92%	0.915	82%	0.818	S	S	*	*			trans	-152.9	129.8	144.9	-165.6	0	0	0	0	111
64	D	31.1	Very low	28.8	Very low	128 Å²	128	155.4 Å²	155.4	68%	0.684	81%	0.813	S	S	*	*			trans	-85.2	149.3	174.6	177.1	22.6	0	0	0	111.2
65	T	29.6	Very low	28.9	Very low	143 Å²	143	157.7 Å²	157.7	88%	0.877	82%	0.815	S	S	*	*			trans	-162.6	128.4	140.6	31.2	0	0	0	0	110.9
66	S	28.3	Very low	28.8	Very low	92 Å²	92	154.2 Å²	154.2	64%	0.643	81%	0.81	S	S	*	*			trans	-84.5	152.9	173.3	34.8	0	0	0	0	110.8
67	D	29.5	Very low	28.9	Very low	166 Å²	166	152 Å²	152	89%	0.888	81%	0.811	S	S	*	*			trans	-169.1	138.7	131.2	-101.8	-29	0	0	0	113.6
68	R	31.4	Very low	29	Very low	229 Å²	229	156.9 Å²	156.9	86%	0.864	82%	0.821	S	S	*	*			trans	-135.1	143.8	-179.3	-152.4	-170	-155.9	-174.7	8	107.4
69	P	36.4	Very low	29	Very low	130 Å²	130	153.6 Å²	153.6	84%	0.844	82%	0.816	S	S	*	*			trans	-142.3	157.4	133.4	31.3	-14.8	0	0	0	110.5
70	G	27.6	Very low	28.8	Very low	78 Å²	78	148.1 Å²	148.1	80%	0.804	81%	0.813	S	S	*	*			cis	165.8	124.2	7.6	0	0	0	0	0	106.1
71	L	28.6	Very low	28.7	Very low	169 Å²	169	148.3 Å²	148.3	89%	0.885	81%	0.814	S	S	*	*			trans	-80.4	141.6	-177.4	-86	146.1	0	0	0	112.3
72	K	27.8	Very low	28.6	Very low	212 Å²	212	150.5 Å²	150.5	92%	0.922	82%	0.817	S	S	*	*			trans	-114.8	130.8	157.2	-83.2	-174.8	176.8	178.5	0	110
73	K	28.3	Very low	28.3	Very low	209 Å²	209	155 Å²	155	91%	0.909	82%	0.822	S	S	*	*			trans	-86.4	152.5	177.3	-66	175.8	174.8	177.7	0	111
74	S	25.6	Very low	28	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	81%	0.807	S	S	*	*				177.6	125.1	113.2	-164.6	0	0	0	0	114.4
75	R	25.9	Very low	27.7	Very low	215 Å²	215	151 Å²	151	81%	0.811	81%	0.814	S	S	*	*			trans	20.3	134.7	139.2	-87.8	-174.8	155.3	-161.8	-3.9	123.5
76	M	26	Very low	27.7	Very low	143 Å²	143	149.8 Å²	149.8	70%	0.704	81%	0.807	S	S	*	*				93.8	140.2	122.6	-75.4	-178.3	97.4	0	0	122.7
77	S	26.4	Very low	27.5	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	82%	0.816	S	S	*	*			trans	81.7	114.5	145.5	51.3	0	0	0	0	120
78	W	28.7	Very low	27.4	Very low	252 Å²	252	150.7 Å²	150.7	96%	0.955	81%	0.809	S	S	*	*			trans	-71.2	144	152.9	-73.7	55.3	0	0	0	110.4
79	P	29.7	Very low	27.1	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	80%	0.798	S	S	*	*			trans	-129.2	144.9	146.3	30.1	-14.2	0	0	0	112.8
80	S	25.7	Very low	26.8	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	80%	0.8	S	S	*	*			trans	-72.4	168	170.5	-27.5	0	0	0	0	112.3
81	S	25.9	Very low	26.8	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	80%	0.795	S	S	*	*			trans	96.9	106.3	155	-1.9	0	0	0	0	120.5
82	F	25.8	Very low	26.7	Very low	195 Å²	195	145 Å²	145	86%	0.855	79%	0.792	S	S	*	*				50.6	145.6	120.6	-87.1	-86.4	0	0	0	124.6
83	H	25.3	Very low	26.7	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.856	78%	0.783	S	S	*	*			trans	79.4	128.5	176.3	-66.3	-60.9	0	0	0	116.3
84	G	23.8	Very low	26.8	Very low	59 Å²	59	142.1 Å²	142.1	61%	0.608	78%	0.78	S	S	*	*			cis	126.8	147.8	12.4	0	0	0	0	0	110
85	T	26.4	Very low	26.9	Very low	136 Å²	136	143.4 Å²	143.4	83%	0.834	78%	0.779	S	S	*	*			trans	92.5	137.9	168.8	69	0	0	0	0	118
86	T	27.6	Very low	27	Very low	119 Å²	119	141 Å²	141	73%	0.73	77%	0.774	S	S	*	*			cis	-174.2	155.2	-2.8	22.5	0	0	0	0	109.1
87	N	24.3	Very low	27.2	Very low	156 Å²	156	140.1 Å²	140.1	83%	0.834	77%	0.773	S	S	*	*			trans	-148.6	110.6	134.3	-115.6	-0.4	0	0	0	110.6
88	T	27.6	Very low	27.3	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	77%	0.773	S	S	*	*			trans	28.6	138.9	140.6	22.1	0	0	0	0	120.8
89	S	26.1	Very low	27.2	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	77%	0.765	S	S	*	*			cis	-174.2	154.2	34.4	60.5	0	0	0	0	114.8
90	I	29.2	Very low	27.3	Very low	172 Å²	172	137.8 Å²	137.8	88%	0.882	77%	0.767	S	S	*	*			trans	73.2	129.7	153.1	-57.1	150.9	0	0	0	117.5
91	G	27.1	Very low	27.3	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	76%	0.764	S	S	*	*			cis	173.4	154.9	-2	0	0	0	0	0	112.1
92	N	26.8	Very low	27.8	Very low	154 Å²	154	137 Å²	137	82%	0.824	77%	0.769	S	S	*	*			trans	81.9	102.5	161.3	-80.7	-13.1	0	0	0	123.9
93	N	28.3	Very low	27.9	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	77%	0.765	S	S	*	*				53.2	129	114.2	-89.5	-14.7	0	0	0	119.8
94	R	29.6	Very low	28.7	Very low	224 Å²	224	129.9 Å²	129.9	85%	0.845	76%	0.761	S	S	*	*			cis	-163.6	142.8	39.6	-61.7	-178.3	170.7	160.5	-4.4	113.2
95	N	29.1	Very low	28.9	Very low	141 Å²	141	130.5 Å²	130.5	75%	0.754	77%	0.768	S	S	*	*			trans	20	147.9	134.9	-69.6	8.3	0	0	0	121.2
96	F	27.3	Very low	29	Very low	163 Å²	163	136.1 Å²	136.1	72%	0.715	77%	0.774	S	S	*	*			cis	-170.3	150.8	16.8	-136.3	-117.6	0	0	0	110.2
97	D	29.9	Very low	29.2	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	78%	0.777	S	S	*	*			trans	4.6	157.3	147	-58.5	-23.8	0	0	0	121.1
98	S	29	Very low	29.8	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	78%	0.776	S	S	*	*			cis	-168	165.9	26.2	-112.6	0	0	0	0	105.8
99	E	27.1	Very low	29.8	Very low	167 Å²	167	136.6 Å²	136.6	78%	0.78	78%	0.78	S	S	*	*				179.1	141	52.9	-141.1	-179.3	131.6	0	0	110.5
100	N	31.2	Very low	29.8	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	78%	0.783	S	S	*	*			trans	19.9	136.2	142.8	-59.7	-32.8	0	0	0	120.5
101	G	27	Very low	29.6	Very low	70 Å²	70	134.9 Å²	134.9	72%	0.722	77%	0.773	S	S	*	*			cis	156.1	-165.9	39.7	0	0	0	0	0	109
102	P	35.5	Very low	29.6	Very low	133 Å²	133	140.6 Å²	140.6	86%	0.864	78%	0.781	S	S	*	*				-113.7	173.4	-97.1	37.8	-30.1	0	0	0	117.1
103	S	28.1	Very low	29.5	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	78%	0.78	S	S	*	*			trans	-60.6	-173.2	169.2	-42.6	0	0	0	0	113.5
104	P	42.6	Very low	29.5	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	78%	0.784	S	S	*	*			cis	-149.1	166.6	12.3	39.2	-16.5	0	0	0	119.6
105	G	26.6	Very low	30.1	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	78%	0.783	S	S	*	*				92.5	132.5	122.8	0	0	0	0	0	122.5
106	R	28.8	Very low	30	Very low	254 Å²	254	128.9 Å²	128.9	96%	0.958	78%	0.781	S	S	*	*			trans	104.4	123.6	150.7	-67.5	-174.4	170	-174.7	-2.7	119.5
107	S	32.7	Very low	30	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	79%	0.789	S	S	*	*			trans	-80.4	161.6	159.2	-27.5	0	0	0	0	110.8
108	P	36.7	Very low	30.1	Very low	128 Å²	128	129.4 Å²	129.4	83%	0.831	80%	0.795	S	S	*	*				-153	-177.2	83.6	37	-14.5	0	0	0	116.6
109	M	26.6	Very low	30	Very low	165 Å²	165	132.4 Å²	132.4	81%	0.813	80%	0.802	S	S	*	*			trans	-38.4	148.7	177.5	-63.1	170.2	69	0	0	117.3
110	D	26.1	Very low	30.1	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	80%	0.802	S	S	*	*				172.3	148.8	88.4	-128.4	-31.9	0	0	0	114.7
111	S	26.1	Very low	30	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	80%	0.795	S	S	*	*			trans	48.9	124.9	142.5	-65.6	0	0	0	0	126.4
112	Q	26.5	Very low	30.1	Very low	188 Å²	188	131.7 Å²	131.7	88%	0.879	80%	0.795	S	S	*	*			trans	70.2	119.6	134.7	-65.3	-88.2	-36.7	0	0	121.8
113	A	25.7	Very low	29.8	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	79%	0.794	S	S	*	*				143.3	119.7	126.5	0	0	0	0	0	114.6
114	S	27.4	Very low	30.1	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	80%	0.795	S	S	*	*			trans	-78.1	-177.7	159.3	-51.1	0	0	0	0	110.1
115	P	42.9	Very low	29.6	Very low	129 Å²	129	138.3 Å²	138.3	84%	0.838	80%	0.799	S	S	*	*			cis	-136.6	171.5	-2.1	39.2	-20.6	0	0	0	114.9
116	G	25.3	Very low	29.9	Very low	68 Å²	68	140 Å²	140	70%	0.701	80%	0.8	S	S	*	*			trans	158.5	108.6	157.4	0	0	0	0	0	118.9
117	L	28.6	Very low	30.4	Very low	169 Å²	169	137.1 Å²	137.1	89%	0.885	80%	0.797	S	S	*	*			trans	62.1	97	144.6	-100.4	80.1	0	0	0	121.7
118	V	30.9	Very low	30.6	Very low	131 Å²	131	142 Å²	142	79%	0.794	80%	0.798	S	S	*	*				26.5	116.6	120.8	-170.4	0	0	0	0	118.1
119	L	27.7	Very low	30.6	Very low	168 Å²	168	147.2 Å²	147.2	88%	0.88	80%	0.801	S	S	*	*			trans	-154.2	108.8	133	-99.1	165.8	0	0	0	108.6
120	H	28.5	Very low	31.5	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.796	79%	0.791	S	S	*	*			trans	-71.5	138.2	166.5	-131.1	-82.8	0	0	0	108.3
121	P	28.7	Very low	32.6	Very low	104 Å²	104	141.5 Å²	141.5	68%	0.675	77%	0.774	S	S	*	*				-137.7	134.6	116.6	25	-6.4	0	0	0	113.3
122	S	30.2	Very low	33.9	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	75%	0.754	S	S	*	*			trans	-12.1	117.8	158.7	47.3	0	0	0	0	118.3
123	F	28.3	Very low	35.1	Very low	193 Å²	193	133.9 Å²	133.9	85%	0.846	73%	0.729	S	S	*	*			trans	-115.3	138.1	147.1	-89	-89.3	0	0	0	108.7	Q125	F123-Q125 PolarHBondContact O-N 2.99Å
124	P	34.3	Very low	36.3	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	72%	0.716	S	S	*	*			trans	-65.1	120.1	177.9	26	-30.1	0	0	0	108.9	S126	P124-S126 PolarHBondContact O-N 3.04Å; P124-S126 VanDerWaalsContact O-N 3.08Å
125	Q	33.8	Very low	37	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	70%	0.704	S	S	*	*			trans	-53	117.6	169.9	-101.6	155.9	-42.6	0	0	108.3	F123 Q127	F123-Q125 PolarHBondContact O-N 2.99Å; Q125-Q127 PolarHBondContact O-N 3.01Å
126	S	32.6	Very low	36.9	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	69%	0.689	S	S	*	*			trans	-45.4	112.6	157.6	53.7	0	0	0	0	107.4	P124 R128	P124-S126 PolarHBondContact O-N 3.04Å; P124-S126 VanDerWaalsContact O-N 3.08Å; S126-R128 PolarHBondContact O-N 3.34Å
127	Q	38.6	Very low	37.7	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	69%	0.688	S	S	*	*			trans	-57	99.2	165.3	-85.9	179.7	-25.7	0	0	106.5	Q125 R129	Q125-Q127 PolarHBondContact O-N 3.01Å; Q127-R129 PolarHBondContact O-N 2.8Å; Q127-R129 VanDerWaalsContact O-N 3.07Å
128	R	36.4	Very low	38.3	Very low	215 Å²	215	134 Å²	134	81%	0.811	68%	0.677	S	S	*	*			trans	-56.7	115.7	166.8	-170.1	-176.8	-153.8	-140.8	5.3	104.6	S126 E130	S126-R128 PolarHBondContact O-N 3.34Å; R128-E130 PolarHBondContact O-N 3.28Å
129	R	38	Very low	38.8	Very low	237 Å²	237	134.1 Å²	134.1	89%	0.894	67%	0.673	S	S	*	*			trans	-48.5	115.7	177.4	-167.6	179.8	-175.9	-153.8	0.8	107.7	Q127 S131	Q127-R129 PolarHBondContact O-N 2.8Å; Q127-R129 VanDerWaalsContact O-N 3.07Å; R129-S131 PolarHBondContact O-N 3.47Å; R129-S131 VanDerWaalsContact O-N 3.13Å
130	E	44	Very low	39.6	Very low	130 Å²	130	134.7 Å²	134.7	61%	0.607	67%	0.665	S	S	*	*			trans	-59.1	119.7	-179	-70.5	179.1	176.3	0	0	108.3	R128	R128-E130 PolarHBondContact O-N 3.28Å
131	S	49.6	Very low	39.8	Very low	48 Å²	48	134.1 Å²	134.1	34%	0.336	67%	0.668	S	S	.	*			trans	-69	146.3	170.3	59	0	0	0	0	108.3	R129 L133 Y134	R129-S131 PolarHBondContact O-N 3.47Å; R129-S131 VanDerWaalsContact O-N 3.13Å; S131-L133 PolarHBondContact O-N 3.12Å; S131-Y134 PolarHBondContact O-N 2.97Å; S131-Y134 WeakPolarHBondContact OG-CD2 3.39Å; S131-Y134 WeakPolarHBondContact OG-CE2 3.17Å
132	F	54.7	Low	40.1	Very low	56 Å²	56	135.8 Å²	135.8	25%	0.246	68%	0.676	C	S	.	*	G	3₁₀ helix	trans	-49.1	-25.6	172.6	135.1	-99.6	0	0	0	112.9	Y134 M251 L252 E255	F132-Y134 PolarHBondContact O-N 3.33Å; F132-Y134 VanDerWaalsContact O-N 3.11Å; F132-M251 VanDerWaalsContact CE2-C 3.49Å; F132-M251 HydrophobicContact CE2-CB 3.68Å; F132-M251 HydrophobicContact CE2-CE 4.27Å; F132-M251 WeakPolarHBondContact CE2-O 3.43Å; F132-M251 HydrophobicContact CZ-CB 3.35Å; F132-M251 HydrophobicContact CZ-CE 4.34Å; F132-L252 HydrophobicContact CE1-CB 4.24Å; F132-L252 HydrophobicContact CE1-CD1 4.38Å; F132-L252 HydrophobicContact CZ-CB 4.15Å; F132-L252 VanDerWaalsContact CZ-N 3.29Å; F132-E255 HydrophobicContact CD2-CB 4.38Å; F132-E255 HydrophobicContact CD2-CG 3.18Å; F132-E255 HydrophobicContact CE2-CG 3.46Å; F132-E255 VanDerWaalsContact CE2-CG 3.46Å; F132-E255 HydrophobicContact CG-CG 4.07Å
133	L	50.7	Low	40	Very low	66 Å²	66	136.1 Å²	136.1	35%	0.346	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-62.8	-9.3	174.9	-60.7	174.7	0	0	0	115.3	S131 I163 F248	S131-L133 PolarHBondContact O-N 3.12Å; L133-I163 HydrophobicContact CB-CD1 3.83Å; L133-I163 HydrophobicContact CD2-CD1 3.67Å; L133-I163 HydrophobicContact CG-CD1 4.37Å; L133-I163 WeakPolarHBondContact O-CD1 3.35Å; L133-I163 WeakPolarHBondContact O-CG1 3.38Å; L133-F248 HydrophobicContact CD2-CD1 3.9Å; L133-F248 HydrophobicContact CD2-CE1 3.87Å
134	Y	50.3	Low	40.5	Very low	139 Å²	139	132.3 Å²	132.3	55%	0.545	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-133.7	16	-174.7	-60.7	-68.9	0	0	0	114.8	S131 F132	S131-Y134 PolarHBondContact O-N 2.97Å; S131-Y134 WeakPolarHBondContact OG-CD2 3.39Å; S131-Y134 WeakPolarHBondContact OG-CE2 3.17Å; F132-Y134 PolarHBondContact O-N 3.33Å; F132-Y134 VanDerWaalsContact O-N 3.11Å
135	R	43.9	Very low	40.6	Very low	147 Å²	147	136.1 Å²	136.1	56%	0.555	68%	0.678	S	S	*	*			trans	-83	124	177.7	-81.2	-168.6	171	-175.5	-4.3	111.9
136	S	39.4	Very low	40.4	Very low	74 Å²	74	134 Å²	134	52%	0.517	68%	0.677	S	S	.	*			trans	-75	139.6	174.4	-58.9	0	0	0	0	111.6	S138	S136-S138 PolarHBondContact O-N 2.81Å
137	D	42.8	Very low	40.7	Very low	129 Å²	129	138 Å²	138	69%	0.69	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	8.1	178.6	-79.8	-24.5	0	0	0	113.8	R254	D137-R254 IonicContact OD1-CZ 2.67Å; D137-R254 IonicContact OD1-NH1 3.31Å; D137-R254 PolarHBondContact OD1-NH1 3.27Å; D137-R254 IonicContact OD1-NH2 3.77Å; D137-R254 PolarHBondContact OD1-NH2 3Å; D137-R254 IonicContact OD2-NH1 3.6Å
138	S	41.3	Very low	40.3	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-4.7	-170.7	58.6	0	0	0	0	116.6	S136	S136-S138 PolarHBondContact O-N 2.81Å
139	D	40.7	Very low	40.4	Very low	133 Å²	133	135 Å²	135	71%	0.711	69%	0.686	S	S	*	*	S	Bend	trans	-97	8.8	-169.2	-78.9	-4.2	0	0	0	115.8
140	Y	44.8	Very low	39.9	Very low	181 Å²	181	130.9 Å²	130.9	71%	0.71	68%	0.681	S	S	*	*			trans	-122.8	68.3	-179.6	-80.6	-85.2	0	0	0	112.7
141	D	31.6	Very low	39.2	Very low	160 Å²	160	129.8 Å²	129.8	86%	0.856	69%	0.688	S	S	*	*			trans	-125	95.2	158.2	-133.5	-13.2	0	0	0	109.7	S143	D141-S143 PolarHBondContact O-N 2.77Å
142	T	36.2	Very low	38.4	Very low	138 Å²	138	132.3 Å²	132.3	85%	0.847	71%	0.706	S	S	*	*			trans	-85.8	97	172.3	45.3	0	0	0	0	110
143	S	27.6	Very low	37.5	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	73%	0.731	S	S	*	*			trans	-153.2	146.3	160.6	-156.7	0	0	0	0	112.5	D141	D141-S143 PolarHBondContact O-N 2.77Å
144	P	39.4	Very low	36.4	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	75%	0.752	S	S	*	*			trans	-95.7	139.3	-156.6	35.4	-30.7	0	0	0	115.1
145	K	37	Very low	35.7	Very low	202 Å²	202	139.6 Å²	139.6	88%	0.878	76%	0.764	S	S	*	*			trans	43.4	122.2	154	-63	-176.3	178.9	178.1	0	119.2
146	T	27.9	Very low	35.1	Very low	143 Å²	143	141.7 Å²	141.7	88%	0.877	78%	0.78	S	S	*	*				-159.1	142.7	111.3	44.4	0	0	0	0	110.7
147	M	39.5	Very low	34.6	Very low	193 Å²	193	141.7 Å²	141.7	95%	0.951	79%	0.792	S	S	*	*			trans	-75.1	129.2	174.2	-62.7	-171.4	88.5	0	0	109.9
148	S	30	Very low	34.1	Very low	120 Å²	120	144.3 Å²	144.3	84%	0.839	80%	0.799	S	S	*	*			trans	-143.4	126.4	157.6	-169.6	0	0	0	0	110.3
149	R	38.4	Very low	33.6	Very low	226 Å²	226	144.3 Å²	144.3	85%	0.853	81%	0.805	S	S	*	*			trans	-84.4	124.9	176.3	-76.4	169	139.8	133.5	-6.9	108.6
150	N	28	Very low	33.4	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	81%	0.806	S	S	*	*				165.5	155.1	125.7	-84.9	-2.9	0	0	0	112.7
151	S	29.4	Very low	33.3	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	81%	0.805	S	S	*	*			trans	67.7	97.9	171.5	49.2	0	0	0	0	116.9
152	S	32	Very low	34.1	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	79%	0.791	S	S	*	*				82.6	106.4	63.3	73.1	0	0	0	0	114
153	I	37	Very low	34.6	Very low	150 Å²	150	136.1 Å²	136.1	77%	0.769	76%	0.76	S	S	*	*			trans	51.4	104.5	144.9	89.6	128.7	0	0	0	117.7
154	N	27.6	Very low	36.2	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	74%	0.739	S	S	*	*				-168.5	85.1	127.7	-98.2	9.9	0	0	0	106.8
155	S	34.2	Very low	37.5	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	72%	0.718	S	S	*	*			trans	-82.1	101.6	159.8	146.1	0	0	0	0	106
156	E	31.7	Very low	39.1	Very low	191 Å²	191	122.2 Å²	122.2	89%	0.893	69%	0.686	S	S	*	*			trans	-148.9	111.8	159.5	-132.7	168.4	-165.2	0	0	109.3
157	G	30.1	Very low	41.3	Very low	73 Å²	73	116.7 Å²	116.7	75%	0.753	65%	0.65	S	S	*	*			trans	93.6	65.5	167.4	0	0	0	0	0	116	A159	G157-A159 PolarHBondContact O-N 2.94Å
158	H	31.4	Very low	43	Very low	185 Å²	185	109.2 Å²	109.2	86%	0.856	62%	0.619	S	S	*	*			trans	-58	96.2	145.8	-76.6	-75	0	0	0	107.5	E160	H158-E160 PolarHBondContact O-N 2.68Å
159	A	32	Very low	45.3	Very low	92 Å²	92	106.9 Å²	106.9	76%	0.76	60%	0.595	S	S	*	*			trans	-66.1	94.7	150.9	0	0	0	0	0	104.5	G157 D161	G157-A159 PolarHBondContact O-N 2.94Å; A159-D161 PolarHBondContact O-N 3.5Å; A159-D161 VanDerWaalsContact O-N 3.13Å
160	E	35.7	Very low	47.3	Very low	157 Å²	157	99.9 Å²	99.9	73%	0.734	58%	0.577	S	S	*	*			trans	-46.5	122.9	158.9	-68.7	-179.4	161.9	0	0	106.1	H158 M162	H158-E160 PolarHBondContact O-N 2.68Å; E160-M162 HydrophobicContact CB-CG 4.42Å; E160-M162 PolarHBondContact O-N 3.48Å
161	D	43.5	Very low	49.9	Very low	128 Å²	128	93.3 Å²	93.3	68%	0.684	54%	0.542	S	S	*	.			trans	-65	71.8	167.7	-96.6	-31.5	0	0	0	107.4	A159 I163	A159-D161 PolarHBondContact O-N 3.5Å; A159-D161 VanDerWaalsContact O-N 3.13Å; D161-I163 PolarHBondContact O-N 3.27Å
162	M	47.1	Very low	52.4	Low	115 Å²	115	90.5 Å²	90.5	57%	0.567	53%	0.525	S	S	*	.			trans	-57.2	126.4	163.9	-67.6	-169.4	-62.8	0	0	105.1	E160 V164	E160-M162 HydrophobicContact CB-CG 4.42Å; E160-M162 PolarHBondContact O-N 3.48Å; M162-V164 HydrophobicContact CB-CG2 4.11Å; M162-V164 PolarHBondContact O-N 2.79Å
163	I	46.3	Very low	55	Low	40 Å²	40	89.1 Å²	89.1	21%	0.205	52%	0.516	C	S	.	.			trans	-67	86.7	168.8	-57.7	173.2	0	0	0	107.5	L133 D161 F248 M251	L133-I163 HydrophobicContact CB-CD1 3.83Å; L133-I163 HydrophobicContact CD2-CD1 3.67Å; L133-I163 HydrophobicContact CG-CD1 4.37Å; L133-I163 WeakPolarHBondContact O-CD1 3.35Å; L133-I163 WeakPolarHBondContact O-CG1 3.38Å; D161-I163 PolarHBondContact O-N 3.27Å; I163-F248 HydrophobicContact CB-CE1 4.17Å; I163-F248 HydrophobicContact CD1-CE1 4.04Å; I163-F248 HydrophobicContact CG2-CD1 4.29Å; I163-F248 HydrophobicContact CG2-CE1 3.4Å; I163-F248 VanDerWaalsContact CG2-CE1 3.4Å; I163-F248 HydrophobicContact CG2-CZ 3.89Å; I163-M251 HydrophobicContact CD1-CE 3.55Å; I163-M251 HydrophobicContact CD1-SD 4.14Å; I163-M251 HydrophobicContact CG1-CE 4.2Å
164	V	61.8	Low	57.4	Low	51 Å²	51	84.5 Å²	84.5	31%	0.309	49%	0.492	S	S	.	.			trans	-76.7	139.2	167.9	-179.3	0	0	0	0	106.2	M162 A168 Q169 K247	M162-V164 HydrophobicContact CB-CG2 4.11Å; M162-V164 PolarHBondContact O-N 2.79Å; V164-A168 HydrophobicContact CG1-CB 3.6Å; V164-Q169 HydrophobicContact CB-CG 3.58Å; V164-Q169 HydrophobicContact CG1-CG 3.66Å; V164-K247 PolarHBondContact O-NZ 3.29Å; V164-K247 VanDerWaalsContact O-NZ 3.17Å
165	T	66.3	Low	60.2	Low	48 Å²	48	83.1 Å²	83.1	29%	0.294	48%	0.476	S	S	.	.			trans	-54	135.5	174.9	61.3	0	0	0	0	108.2	F167 A168 Q169 A244	T165-F167 PolarHBondContact O-N 2.9Å; T165-F167 VanDerWaalsContact O-N 3.08Å; T165-A168 PolarHBondContact O-N 3.19Å; T165-A168 VanDerWaalsContact OG1-CB 3.31Å; T165-A168 WeakPolarHBondContact OG1-CB 3.2Å; T165-A168 PolarHBondContact OG1-N 3.21Å; T165-Q169 PolarHBondContact O-N 3.37Å; T165-A244 HydrophobicContact CG2-CB 3.9Å
166	P	72.3	Confident	62.7	Low	32 Å²	32	81.5 Å²	81.5	21%	0.208	46%	0.461	C	S	.	.	H	α-helix	trans	-57.2	-32	-173.6	14.1	-23.7	0	0	0	112.1	Q169 V170 M243 K247	P166-Q169 WeakPolarHBondContact O-CB 3.47Å; P166-Q169 PolarHBondContact O-N 3.29Å; P166-V170 WeakPolarHBondContact O-CG2 3.48Å; P166-V170 PolarHBondContact O-N 2.75Å; P166-M243 HydrophobicContact CG-CB 4.18Å; P166-K247 HydrophobicContact CB-CD 4.2Å; P166-K247 HydrophobicContact CG-CB 4.14Å; P166-K247 HydrophobicContact CG-CD 3.84Å
167	F	73.1	Confident	65.5	Low	28 Å²	28	76.3 Å²	76.3	12%	0.123	44%	0.442	C	S	.	.	H	α-helix	trans	-60.9	-47.6	172.1	-176.6	-98	0	0	0	113.4	T165 Q169 V170 L171 L231 Q235 V240 M243	T165-F167 PolarHBondContact O-N 2.9Å; T165-F167 VanDerWaalsContact O-N 3.08Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.17Å; F167-V170 PolarHBondContact O-N 2.99Å; F167-L171 HydrophobicContact CE1-CD2 4.4Å; F167-L171 WeakPolarHBondContact O-CB 3.45Å; F167-L171 PolarHBondContact O-N 3.45Å; F167-L231 HydrophobicContact CE2-CD2 4.46Å; F167-L231 HydrophobicContact CZ-CB 4.49Å; F167-L231 VanDerWaalsContact CZ-O 3.29Å; F167-L231 WeakPolarHBondContact CZ-O 3.26Å; F167-Q235 HydrophobicContact CE1-CG 3.65Å; F167-Q235 HydrophobicContact CZ-CG 3.97Å; F167-V240 HydrophobicContact CB-CG1 4.16Å; F167-V240 HydrophobicContact CB-CG2 4.47Å; F167-V240 HydrophobicContact CD1-CG1 4.3Å; F167-V240 HydrophobicContact CD1-CG2 3.87Å; F167-V240 HydrophobicContact CE1-CG2 4.31Å; F167-V240 HydrophobicContact CG-CG1 4.46Å; F167-V240 HydrophobicContact CG-CG2 4.03Å; F167-M243 HydrophobicContact CB-CE 3.89Å; F167-M243 HydrophobicContact CB-SD 4.24Å; F167-M243 HydrophobicContact CD2-CE 3.61Å; F167-M243 HydrophobicContact CD2-SD 4.4Å; F167-M243 HydrophobicContact CG-CE 4Å
168	A	76.1	Confident	68.4	Low	36 Å²	36	76 Å²	76	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-30.5	177.3	0	0	0	0	0	112.4	V164 T165 A172	V164-A168 HydrophobicContact CG1-CB 3.6Å; T165-A168 PolarHBondContact O-N 3.19Å; T165-A168 VanDerWaalsContact OG1-CB 3.31Å; T165-A168 WeakPolarHBondContact OG1-CB 3.2Å; T165-A168 PolarHBondContact OG1-N 3.21Å; A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.41Å
169	Q	77.9	Confident	71	Confident	70 Å²	70	70 Å²	70	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-50	171.5	-65	-177.4	-47.1	0	0	111	V164 T165 P166 F167 L171 A172 S173	V164-Q169 HydrophobicContact CB-CG 3.58Å; V164-Q169 HydrophobicContact CG1-CG 3.66Å; T165-Q169 PolarHBondContact O-N 3.37Å; P166-Q169 WeakPolarHBondContact O-CB 3.47Å; P166-Q169 PolarHBondContact O-N 3.29Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.17Å; Q169-L171 VanDerWaalsContact C-N 3.33Å; Q169-L171 PolarHBondContact O-N 3.1Å; Q169-A172 PolarHBondContact O-N 3.25Å; Q169-S173 WeakPolarHBondContact O-CB 3.27Å; Q169-S173 PolarHBondContact O-N 2.97Å; Q169-S173 PolarHBondContact O-OG 3.09Å; Q169-S173 VanDerWaalsContact O-OG 3.11Å
170	V	80.8	Confident	73.7	Confident	80 Å²	80	69.6 Å²	69.6	49%	0.485	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-44.7	177.1	171.1	0	0	0	0	110.9	P166 F167 S173 L174	P166-V170 WeakPolarHBondContact O-CG2 3.48Å; P166-V170 PolarHBondContact O-N 2.75Å; F167-V170 PolarHBondContact O-N 2.99Å; V170-S173 PolarHBondContact O-N 3.23Å; V170-L174 HydrophobicContact CG1-CD1 3.84Å; V170-L174 HydrophobicContact CG1-CG 4.3Å; V170-L174 WeakPolarHBondContact O-CB 3.44Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; V170-L174 PolarHBondContact O-N 2.91Å
171	L	81.9	Confident	76.3	Confident	10 Å²	10	65 Å²	65	5%	0.052	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-43.2	179.8	-167.3	70.2	0	0	0	112	F167 Q169 S173 L174 R175 L228 L231 E232	F167-L171 HydrophobicContact CE1-CD2 4.4Å; F167-L171 WeakPolarHBondContact O-CB 3.45Å; F167-L171 PolarHBondContact O-N 3.45Å; Q169-L171 VanDerWaalsContact C-N 3.33Å; Q169-L171 PolarHBondContact O-N 3.1Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-L174 PolarHBondContact O-N 3.41Å; L171-R175 WeakPolarHBondContact O-CB 3.49Å; L171-R175 VanDerWaalsContact O-CG 3.29Å; L171-R175 WeakPolarHBondContact O-CG 3.34Å; L171-R175 PolarHBondContact O-N 3.31Å; L171-L228 HydrophobicContact CD1-CD2 3.97Å; L171-L231 HydrophobicContact CD1-CB 4.38Å; L171-E232 HydrophobicContact CD1-CG 3.88Å; L171-E232 HydrophobicContact CD2-CG 3.77Å; L171-E232 HydrophobicContact CG-CG 4.43Å
172	A	82.7	Confident	78.4	Confident	49 Å²	49	60 Å²	60	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-40.2	175	0	0	0	0	0	112.1	A168 Q169 T176	A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.36Å; A168-A172 PolarHBondContact O-N 3.41Å; Q169-A172 PolarHBondContact O-N 3.25Å; A172-T176 PolarHBondContact O-N 2.83Å; A172-T176 PolarHBondContact O-OG1 2.74Å
173	S	84.6	Confident	80.2	Confident	73 Å²	73	60 Å²	60	51%	0.51	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-45.6	175.3	-65.2	0	0	0	0	111.8	Q169 V170 L171 R175 T176 V177	Q169-S173 WeakPolarHBondContact O-CB 3.27Å; Q169-S173 PolarHBondContact O-N 2.97Å; Q169-S173 PolarHBondContact O-OG 3.09Å; Q169-S173 VanDerWaalsContact O-OG 3.11Å; V170-S173 PolarHBondContact O-N 3.23Å; L171-S173 VanDerWaalsContact C-N 3.35Å; S173-R175 PolarHBondContact O-N 3.36Å; S173-T176 WeakPolarHBondContact O-CB 3.3Å; S173-T176 PolarHBondContact O-N 2.92Å; S173-T176 VanDerWaalsContact O-N 3.15Å; S173-V177 WeakPolarHBondContact O-CG2 3.47Å; S173-V177 PolarHBondContact O-N 3.2Å
174	L	87.8	Confident	82	Confident	52 Å²	52	64.5 Å²	64.5	27%	0.272	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-39.1	178.3	-72.4	172.2	0	0	0	112.2	V170 L171 T176 V177 R178 L228 L231	V170-L174 HydrophobicContact CG1-CD1 3.84Å; V170-L174 HydrophobicContact CG1-CG 4.3Å; V170-L174 WeakPolarHBondContact O-CB 3.44Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; V170-L174 PolarHBondContact O-N 2.91Å; L171-L174 PolarHBondContact O-N 3.41Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.06Å; L174-V177 PolarHBondContact O-N 3.44Å; L174-R178 WeakPolarHBondContact O-CB 3.46Å; L174-R178 PolarHBondContact O-N 2.69Å; L174-L228 HydrophobicContact CB-CD2 3.62Å; L174-L228 HydrophobicContact CD1-CD2 4.35Å; L174-L231 HydrophobicContact CD1-CD1 3.7Å
175	R	86.3	Confident	82.8	Confident	121 Å²	121	62.5 Å²	62.5	46%	0.457	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-38	171.8	-73.3	171.1	178	169.5	-8.5	112	L171 S173 R178 S179 L228 E232	L171-R175 WeakPolarHBondContact O-CB 3.49Å; L171-R175 VanDerWaalsContact O-CG 3.29Å; L171-R175 WeakPolarHBondContact O-CG 3.34Å; L171-R175 PolarHBondContact O-N 3.31Å; S173-R175 PolarHBondContact O-N 3.36Å; R175-R178 PolarHBondContact O-N 3.4Å; R175-S179 PolarHBondContact O-N 3.02Å; R175-L228 HydrophobicContact CG-CD2 4.4Å; R175-E232 IonicContact CZ-OE1 3.75Å; R175-E232 VanDerWaalsContact CZ-OE1 3.26Å; R175-E232 IonicContact NE-OE1 2.76Å; R175-E232 PolarHBondContact NE-OE1 3.08Å; R175-E232 VanDerWaalsContact NE-OE1 3.15Å; R175-E232 IonicContact NH2-OE1 2.66Å; R175-E232 PolarHBondContact NH2-OE1 2.87Å; R175-E232 IonicContact NH2-OE2 3.3Å; R175-E232 PolarHBondContact NH2-OE2 3.25Å
176	T	87.6	Confident	83.2	Confident	80 Å²	80	66.6 Å²	66.6	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-43.7	174.6	-55.1	0	0	0	0	111.6	A172 S173 L174 R178 S179 N180	A172-T176 PolarHBondContact O-N 2.83Å; A172-T176 PolarHBondContact O-OG1 2.74Å; S173-T176 WeakPolarHBondContact O-CB 3.3Å; S173-T176 PolarHBondContact O-N 2.92Å; S173-T176 VanDerWaalsContact O-N 3.15Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.06Å; T176-R178 VanDerWaalsContact C-N 3.35Å; T176-R178 PolarHBondContact O-N 3.27Å; T176-S179 PolarHBondContact O-N 2.96Å; T176-N180 PolarHBondContact O-N 3.33Å; T176-N180 PolarHBondContact O-ND2 3.11Å
177	V	89.9	Confident	82.8	Confident	82 Å²	82	66.3 Å²	66.3	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-59.5	-46	174.6	170.9	0	0	0	0	110.6	S173 L174 S179 N180 F181	S173-V177 WeakPolarHBondContact O-CG2 3.47Å; S173-V177 PolarHBondContact O-N 3.2Å; L174-V177 PolarHBondContact O-N 3.44Å; V177-S179 PolarHBondContact O-N 2.77Å; V177-N180 PolarHBondContact O-N 3.48Å; V177-F181 WeakPolarHBondContact O-CB 3.33Å; V177-F181 PolarHBondContact O-N 3.48Å
178	R	91	Very high	82.1	Confident	68 Å²	68	71.3 Å²	71.3	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-47.9	175.3	-173.2	-84.3	-172.4	-167	-3.4	111.6	L174 R175 T176 N180 F181 T182 L221 L224 D225 L228	L174-R178 WeakPolarHBondContact O-CB 3.46Å; L174-R178 PolarHBondContact O-N 2.69Å; R175-R178 PolarHBondContact O-N 3.4Å; T176-R178 VanDerWaalsContact C-N 3.35Å; T176-R178 PolarHBondContact O-N 3.27Å; R178-N180 PolarHBondContact O-N 3.03Å; R178-F181 PolarHBondContact O-N 3.43Å; R178-T182 PolarHBondContact O-N 3.38Å; R178-T182 VanDerWaalsContact O-N 3.1Å; R178-L221 HydrophobicContact CG-CD1 4Å; R178-L224 HydrophobicContact CB-CD2 3.67Å; R178-L224 HydrophobicContact CB-CG 4.3Å; R178-L224 HydrophobicContact CG-CD2 3.83Å; R178-L224 HydrophobicContact CG-CG 4.24Å; R178-D225 WeakPolarHBondContact CG-OD1 3.3Å; R178-D225 IonicContact CZ-OD1 3.49Å; R178-D225 IonicContact CZ-OD2 3.65Å; R178-D225 IonicContact NE-OD1 2.74Å; R178-D225 PolarHBondContact NE-OD1 2.73Å; R178-D225 IonicContact NE-OD2 3.61Å; R178-D225 IonicContact NH2-OD1 3.38Å; R178-D225 PolarHBondContact NH2-OD1 2.9Å; R178-D225 IonicContact NH2-OD2 2.79Å; R178-D225 PolarHBondContact NH2-OD2 3.39Å; R178-L228 HydrophobicContact CB-CD1 4.04Å; R178-L228 HydrophobicContact CG-CD1 4.07Å
179	S	86.9	Confident	80.7	Confident	59 Å²	59	72.9 Å²	72.9	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-58.2	-47.7	176.5	-172.2	0	0	0	0	111.6	R175 T176 V177 F181 T182 I183	R175-S179 PolarHBondContact O-N 3.02Å; T176-S179 PolarHBondContact O-N 2.96Å; V177-S179 PolarHBondContact O-N 2.77Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 PolarHBondContact O-N 2.96Å; S179-T182 PolarHBondContact O-N 3.38Å; S179-T182 PolarHBondContact O-OG1 3.45Å; S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.05Å
180	N	88.5	Confident	78.9	Confident	83 Å²	83	76.3 Å²	76.3	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-35.6	178.7	-69.1	-23.3	0	0	0	112.4	T176 V177 R178 I183 L184	T176-N180 PolarHBondContact O-N 3.33Å; T176-N180 PolarHBondContact O-ND2 3.11Å; V177-N180 PolarHBondContact O-N 3.48Å; R178-N180 PolarHBondContact O-N 3.03Å; N180-I183 PolarHBondContact O-N 3.18Å; N180-L184 WeakPolarHBondContact O-CB 3.43Å; N180-L184 VanDerWaalsContact O-CG 3.31Å; N180-L184 WeakPolarHBondContact O-CG 3.27Å; N180-L184 PolarHBondContact O-N 3.43Å
181	F	89.5	Confident	76.9	Confident	60 Å²	60	77.9 Å²	77.9	26%	0.263	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.7	-176.4	-94.4	0	0	0	111.9	V177 R178 S179 I183 L184 A185 A217 T220 L221	V177-F181 WeakPolarHBondContact O-CB 3.33Å; V177-F181 PolarHBondContact O-N 3.48Å; R178-F181 PolarHBondContact O-N 3.43Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 PolarHBondContact O-N 2.96Å; F181-I183 VanDerWaalsContact C-N 3.25Å; F181-I183 PolarHBondContact O-N 2.97Å; F181-L184 PolarHBondContact O-N 3.32Å; F181-A185 HydrophobicContact CE1-CB 4.21Å; F181-A185 HydrophobicContact CZ-CB 4.3Å; F181-A185 VanDerWaalsContact O-CB 3.3Å; F181-A185 WeakPolarHBondContact O-CB 3.34Å; F181-A185 PolarHBondContact O-N 3.41Å; F181-A217 WeakPolarHBondContact CE1-O 3.46Å; F181-T220 HydrophobicContact CZ-CG2 4.24Å; F181-L221 HydrophobicContact CD1-CB 4.42Å; F181-L221 HydrophobicContact CD1-CD1 4.15Å; F181-L221 HydrophobicContact CE1-CB 4.08Å
182	T	87.1	Confident	75.1	Confident	24 Å²	24	85.2 Å²	85.2	15%	0.147	48%	0.482	C	S	.	.	H	α-helix	trans	-60	-36.3	176.3	59.9	0	0	0	0	112.8	R178 S179 N186 V187 L221	R178-T182 PolarHBondContact O-N 3.38Å; R178-T182 VanDerWaalsContact O-N 3.1Å; S179-T182 PolarHBondContact O-N 3.38Å; S179-T182 PolarHBondContact O-OG1 3.45Å; T182-N186 PolarHBondContact O-N 3.43Å; T182-V187 PolarHBondContact O-N 3.49Å; T182-L221 HydrophobicContact CG2-CD1 3.8Å; T182-L221 HydrophobicContact CG2-CD2 3.82Å; T182-L221 HydrophobicContact CG2-CG 4.5Å
183	I	85.4	Confident	73	Confident	114 Å²	114	92.8 Å²	92.8	59%	0.585	51%	0.506	S	S	*	.	H	α-helix	trans	-71.2	-45.9	177.2	-61.7	167.5	0	0	0	110.6	S179 N180 F181	S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.05Å; N180-I183 PolarHBondContact O-N 3.18Å; F181-I183 VanDerWaalsContact C-N 3.25Å; F181-I183 PolarHBondContact O-N 2.97Å
184	L	83.5	Confident	70.8	Confident	135 Å²	135	100.9 Å²	100.9	71%	0.707	53%	0.525	S	S	*	.	H	α-helix	trans	-70.1	-34.9	-176.6	-71.8	170.3	0	0	0	113.1	N180 F181	N180-L184 WeakPolarHBondContact O-CB 3.43Å; N180-L184 VanDerWaalsContact O-CG 3.31Å; N180-L184 WeakPolarHBondContact O-CG 3.27Å; N180-L184 PolarHBondContact O-N 3.43Å; F181-L184 PolarHBondContact O-N 3.32Å
185	A	79.7	Confident	68.3	Low	8 Å²	8	104 Å²	104	7%	0.066	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	0.9	-176.3	0	0	0	0	0	113.7	F181 V187 A217	F181-A185 HydrophobicContact CE1-CB 4.21Å; F181-A185 HydrophobicContact CZ-CB 4.3Å; F181-A185 VanDerWaalsContact O-CB 3.3Å; F181-A185 WeakPolarHBondContact O-CB 3.34Å; F181-A185 PolarHBondContact O-N 3.41Å; A185-V187 HydrophobicContact CB-CG2 3.77Å; A185-V187 PolarHBondContact O-N 2.72Å; A185-A217 HydrophobicContact CB-CB 3.95Å
186	N	74	Confident	66.5	Low	135 Å²	135	103.7 Å²	103.7	72%	0.722	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.4	29.3	-174.6	-76.5	-30.9	0	0	0	113.5	T182 T188	T182-N186 PolarHBondContact O-N 3.43Å; N186-T188 PolarHBondContact O-N 3.47Å
187	V	64.9	Low	64.3	Low	26 Å²	26	106.1 Å²	106.1	16%	0.158	58%	0.579	C	S	.	*			trans	-76	99.6	177	-178.7	0	0	0	0	106.6	T182 A185 T189 A217 R218 L221	T182-V187 PolarHBondContact O-N 3.49Å; A185-V187 HydrophobicContact CB-CG2 3.77Å; A185-V187 PolarHBondContact O-N 2.72Å; V187-T189 PolarHBondContact O-N 2.8Å; V187-T189 VanDerWaalsContact O-N 3.09Å; V187-A217 HydrophobicContact CG2-CB 3.71Å; V187-R218 HydrophobicContact CG1-CG 4.04Å; V187-L221 HydrophobicContact CB-CD2 4.4Å; V187-L221 HydrophobicContact CG1-CD2 3.87Å
188	T	57.1	Low	61.6	Low	132 Å²	132	108.7 Å²	108.7	81%	0.81	60%	0.595	S	S	*	*			trans	-67.4	108.4	174.9	24.1	0	0	0	0	108.4	N186	N186-T188 PolarHBondContact O-N 3.47Å
189	T	48.3	Very low	59	Low	70 Å²	70	110.7 Å²	110.7	43%	0.429	62%	0.62	S	S	.	*			trans	-55.1	139	162.1	43.2	0	0	0	0	108.5	V187 T191	V187-T189 PolarHBondContact O-N 2.8Å; V187-T189 VanDerWaalsContact O-N 3.09Å; T189-T191 PolarHBondContact O-N 2.97Å
190	P	38.8	Very low	56.6	Low	141 Å²	141	116.7 Å²	116.7	92%	0.916	64%	0.641	S	S	*	*			trans	-72	81.5	-176.5	29.5	-32.8	0	0	0	110
191	T	39.4	Very low	54.4	Low	113 Å²	113	118.5 Å²	118.5	69%	0.693	66%	0.657	S	S	*	*			trans	-100.1	111.9	164.2	51.9	0	0	0	0	108	T189 K193	T189-T191 PolarHBondContact O-N 2.97Å; T191-K193 PolarHBondContact O-N 3.27Å
192	N	43.1	Very low	52.2	Low	164 Å²	164	122.5 Å²	122.5	88%	0.877	69%	0.687	S	S	*	*			trans	-47.7	104.1	168.6	-88.7	-34.9	0	0	0	110.5
193	K	38.7	Very low	49.9	Very low	208 Å²	208	127.8 Å²	127.8	90%	0.904	72%	0.719	S	S	*	*			trans	-178.3	118.4	138.7	-96.4	156.3	-168.8	-174.7	0	110.6	T191	T191-K193 PolarHBondContact O-N 3.27Å
194	R	40	Very low	48.1	Very low	244 Å²	244	128.5 Å²	128.5	92%	0.921	73%	0.731	S	S	*	*			trans	-78.3	134.8	177.3	-160.2	-177.8	-164.2	-179.8	4.2	109.7
195	S	34	Very low	46.1	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	74%	0.737	S	S	*	*			trans	177	158.7	143.4	-82.5	0	0	0	0	113.3
196	P	49.3	Very low	44.6	Very low	114 Å²	114	135 Å²	135	74%	0.74	77%	0.774	S	S	*	*			trans	-114.3	153.8	-136.5	38.9	-29.9	0	0	0	117.9
197	V	41.9	Very low	43.4	Very low	131 Å²	131	134.7 Å²	134.7	79%	0.794	78%	0.777	S	S	*	*			trans	50.4	118.8	142.5	-177.2	0	0	0	0	120
198	T	32	Very low	42.9	Very low	135 Å²	135	139.6 Å²	139.6	83%	0.828	80%	0.802	S	S	*	*			trans	-160	123.7	132.3	-3.6	0	0	0	0	113.8
199	S	36.4	Very low	43.4	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	78%	0.783	S	S	*	*			trans	29.8	119.5	155.8	58.9	0	0	0	0	122.7
200	Q	37.4	Very low	44.6	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-99.7	152.1	157.1	-76	-173.4	-17.9	0	0	112
201	P	41.4	Very low	46	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-92.3	147	154.7	33.5	-23.7	0	0	0	111.7
202	T	44	Very low	47.8	Very low	145 Å²	145	138.2 Å²	138.2	89%	0.89	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-74	137.2	-172.6	20.4	0	0	0	0	114.4
203	V	39.1	Very low	49.6	Very low	134 Å²	134	136.3 Å²	136.3	81%	0.812	75%	0.754	S	S	*	*			trans	-130.8	135.6	154.2	-174.5	0	0	0	0	107.4
204	P	47.3	Very low	51.7	Low	129 Å²	129	130.6 Å²	130.6	84%	0.838	73%	0.73	S	S	*	*			trans	-87.5	126.3	-172.3	26.5	-16.8	0	0	0	110.9
205	Q	40.9	Very low	53.6	Low	177 Å²	177	122.9 Å²	122.9	83%	0.827	71%	0.705	S	S	*	*			trans	-129.6	135	169.1	-156.9	167.9	0.9	0	0	110.6	T207	Q205-T207 PolarHBondContact O-N 2.94Å
206	A	47.9	Very low	55.7	Low	102 Å²	102	122.1 Å²	122.1	84%	0.843	69%	0.689	S	S	*	*			trans	-52.5	124.8	177.6	0	0	0	0	0	111.3	L208	A206-L208 PolarHBondContact O-N 2.93Å
207	T	50.7	Low	57.4	Low	130 Å²	130	117 Å²	117	80%	0.798	66%	0.656	S	S	*	*			trans	-90.6	109.1	-169.2	49.9	0	0	0	0	112.6	Q205	Q205-T207 PolarHBondContact O-N 2.94Å
208	L	53.2	Low	59.3	Low	128 Å²	128	115.2 Å²	115.2	67%	0.67	64%	0.635	S	S	*	*	S	Bend		-58	144.9	125.5	-76.3	160.6	0	0	0	107.1	A206 E210	A206-L208 PolarHBondContact O-N 2.93Å; L208-E210 PolarHBondContact O-N 2.89Å
209	S	68.6	Low	61.7	Low	59 Å²	59	113.4 Å²	113.4	41%	0.413	62%	0.617	S	S	.	*			trans	-58.4	135	177.5	66	0	0	0	0	109.4	E211 T212 Y213	S209-E211 PolarHBondContact O-N 3.39Å; S209-E211 VanDerWaalsContact O-N 3.09Å; S209-T212 WeakPolarHBondContact O-CA 3.42Å; S209-T212 WeakPolarHBondContact O-CB 3.38Å; S209-T212 PolarHBondContact O-N 3.49Å; S209-T212 PolarHBondContact OG-N 2.96Å; S209-T212 PolarHBondContact OG-OG1 2.99Å; S209-Y213 PolarHBondContact O-N 2.94Å
210	E	71.8	Confident	64	Low	148 Å²	148	111.1 Å²	111.1	69%	0.692	60%	0.599	S	S	*	*	H	α-helix	trans	-54.5	-30.9	-177.8	-168.1	171.7	175.5	0	0	111.8	L208 Y213 Q214	L208-E210 PolarHBondContact O-N 2.89Å; E210-Y213 PolarHBondContact O-N 3.22Å; E210-Q214 WeakPolarHBondContact O-CG 3.23Å; E210-Q214 PolarHBondContact O-N 3.1Å
211	E	69.9	Low	66.5	Low	157 Å²	157	102.9 Å²	102.9	73%	0.734	56%	0.561	S	S	*	*	H	α-helix	trans	-63.6	-40.8	172.5	-65.5	175.6	168.3	0	0	113.3	S209 Q215	S209-E211 PolarHBondContact O-N 3.39Å; S209-E211 VanDerWaalsContact O-N 3.09Å; E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 PolarHBondContact O-N 2.82Å
212	T	76.6	Confident	68.4	Low	64 Å²	64	103.7 Å²	103.7	39%	0.393	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-39.2	177.5	-54.3	0	0	0	0	110.9	S209 Q215 M216	S209-T212 WeakPolarHBondContact O-CA 3.42Å; S209-T212 WeakPolarHBondContact O-CB 3.38Å; S209-T212 PolarHBondContact O-N 3.49Å; S209-T212 PolarHBondContact OG-N 2.96Å; S209-T212 PolarHBondContact OG-OG1 2.99Å; T212-Q215 PolarHBondContact O-N 3.41Å; T212-M216 WeakPolarHBondContact O-CB 3.46Å; T212-M216 PolarHBondContact O-N 3.1Å
213	Y	81.7	Confident	70.2	Confident	124 Å²	124	103.3 Å²	103.3	49%	0.486	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-47.4	175.4	174.4	-95.6	0	0	0	111.5	S209 E210 Q215 M216 A217	S209-Y213 PolarHBondContact O-N 2.94Å; E210-Y213 PolarHBondContact O-N 3.22Å; Y213-Q215 VanDerWaalsContact C-N 3.33Å; Y213-Q215 PolarHBondContact O-N 2.89Å; Y213-M216 PolarHBondContact O-N 2.86Å; Y213-A217 WeakPolarHBondContact O-CB 3.4Å; Y213-A217 PolarHBondContact O-N 2.74Å
214	Q	82.1	Confident	72.6	Confident	88 Å²	88	98.8 Å²	98.8	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-35.8	178	-74.2	-168	5	0	0	112.9	E210 R218	E210-Q214 WeakPolarHBondContact O-CG 3.23Å; E210-Q214 PolarHBondContact O-N 3.1Å; Q214-R218 WeakPolarHBondContact O-CG 3.08Å; Q214-R218 PolarHBondContact O-N 2.9Å; Q214-R218 VanDerWaalsContact O-N 3.12Å
215	Q	80	Confident	74.4	Confident	82 Å²	82	95.2 Å²	95.2	38%	0.383	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-48	176.4	-173.7	58.7	25.4	0	0	111.2	E211 T212 Y213 A217 R218 E219	E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 PolarHBondContact O-N 2.82Å; T212-Q215 PolarHBondContact O-N 3.41Å; Y213-Q215 VanDerWaalsContact C-N 3.33Å; Y213-Q215 PolarHBondContact O-N 2.89Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.17Å; Q215-R218 PolarHBondContact O-N 3.18Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.48Å; Q215-E219 PolarHBondContact NE2-OE1 2.91Å; Q215-E219 WeakPolarHBondContact O-CG 3.44Å; Q215-E219 PolarHBondContact O-N 3.22Å
216	M	77.4	Confident	76.4	Confident	102 Å²	102	94.4 Å²	94.4	50%	0.502	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-43.2	176.1	-172.7	-177.6	-61	0	0	111.5	T212 Y213 R218 E219 T220	T212-M216 WeakPolarHBondContact O-CB 3.46Å; T212-M216 PolarHBondContact O-N 3.1Å; Y213-M216 PolarHBondContact O-N 2.86Å; M216-R218 VanDerWaalsContact C-N 3.32Å; M216-R218 PolarHBondContact O-N 3.33Å; M216-E219 PolarHBondContact O-N 3.09Å; M216-T220 WeakPolarHBondContact O-CB 3.49Å; M216-T220 PolarHBondContact O-N 3.09Å; M216-T220 PolarHBondContact O-OG1 3.2Å
217	A	85	Confident	78	Confident	6 Å²	6	92.2 Å²	92.2	5%	0.05	46%	0.455	C	S	.	.	H	α-helix	trans	-62.5	-36.8	177.9	0	0	0	0	0	113.2	F181 A185 V187 Y213 Q215 L221	F181-A217 WeakPolarHBondContact CE1-O 3.46Å; A185-A217 HydrophobicContact CB-CB 3.95Å; V187-A217 HydrophobicContact CG2-CB 3.71Å; Y213-A217 WeakPolarHBondContact O-CB 3.4Å; Y213-A217 PolarHBondContact O-N 2.74Å; Q215-A217 VanDerWaalsContact C-N 3.32Å; Q215-A217 PolarHBondContact O-N 3.17Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 PolarHBondContact O-N 2.86Å; A217-L221 VanDerWaalsContact O-N 3.15Å
218	R	81.5	Confident	79.5	Confident	94 Å²	94	86.7 Å²	86.7	36%	0.355	42%	0.42	S	S	.	.	H	α-helix	trans	-69.3	-48.7	175.4	-76.3	-173.8	-66.6	-97.4	-0.1	112.1	V187 Q214 Q215 M216 T220 L221 E222	V187-R218 HydrophobicContact CG1-CG 4.04Å; Q214-R218 WeakPolarHBondContact O-CG 3.08Å; Q214-R218 PolarHBondContact O-N 2.9Å; Q214-R218 VanDerWaalsContact O-N 3.12Å; Q215-R218 PolarHBondContact O-N 3.18Å; M216-R218 VanDerWaalsContact C-N 3.32Å; M216-R218 PolarHBondContact O-N 3.33Å; R218-T220 VanDerWaalsContact C-N 3.3Å; R218-T220 PolarHBondContact O-N 2.88Å; R218-L221 PolarHBondContact O-N 3.26Å; R218-L221 VanDerWaalsContact O-N 3.14Å; R218-E222 PolarHBondContact O-N 2.81Å
219	E	82.9	Confident	80.8	Confident	96 Å²	96	84.8 Å²	84.8	45%	0.449	41%	0.41	S	S	.	.	H	α-helix	trans	-59.3	-43.1	178.7	-71.8	170.3	-177.6	0	0	111.1	Q215 M216 L221 E222 E223	Q215-E219 WeakPolarHBondContact CG-OE1 3.48Å; Q215-E219 PolarHBondContact NE2-OE1 2.91Å; Q215-E219 WeakPolarHBondContact O-CG 3.44Å; Q215-E219 PolarHBondContact O-N 3.22Å; M216-E219 PolarHBondContact O-N 3.09Å; E219-L221 VanDerWaalsContact C-N 3.32Å; E219-L221 PolarHBondContact O-N 3.14Å; E219-E222 PolarHBondContact O-N 3.05Å; E219-E223 WeakPolarHBondContact O-CG 3.37Å; E219-E223 PolarHBondContact O-N 2.74Å
220	T	85.7	Confident	81	Confident	62 Å²	62	85 Å²	85	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-35.1	178.2	-40.7	0	0	0	0	112	F181 M216 R218 L224	F181-T220 HydrophobicContact CZ-CG2 4.24Å; M216-T220 WeakPolarHBondContact O-CB 3.49Å; M216-T220 PolarHBondContact O-N 3.09Å; M216-T220 PolarHBondContact O-OG1 3.2Å; R218-T220 VanDerWaalsContact C-N 3.3Å; R218-T220 PolarHBondContact O-N 2.88Å; T220-L224 WeakPolarHBondContact O-CB 3.44Å; T220-L224 PolarHBondContact O-N 2.95Å
221	L	88.7	Confident	81.2	Confident	13 Å²	13	80.9 Å²	80.9	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-70.2	-41	175.6	-177.8	62.4	0	0	0	111.5	R178 F181 T182 V187 A217 R218 E219 L224 D225	R178-L221 HydrophobicContact CG-CD1 4Å; F181-L221 HydrophobicContact CD1-CB 4.42Å; F181-L221 HydrophobicContact CD1-CD1 4.15Å; F181-L221 HydrophobicContact CE1-CB 4.08Å; T182-L221 HydrophobicContact CG2-CD1 3.8Å; T182-L221 HydrophobicContact CG2-CD2 3.82Å; T182-L221 HydrophobicContact CG2-CG 4.5Å; V187-L221 HydrophobicContact CB-CD2 4.4Å; V187-L221 HydrophobicContact CG1-CD2 3.87Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 PolarHBondContact O-N 2.86Å; A217-L221 VanDerWaalsContact O-N 3.15Å; R218-L221 PolarHBondContact O-N 3.26Å; R218-L221 VanDerWaalsContact O-N 3.14Å; E219-L221 VanDerWaalsContact C-N 3.32Å; E219-L221 PolarHBondContact O-N 3.14Å; L221-L224 PolarHBondContact O-N 3.42Å; L221-D225 WeakPolarHBondContact O-CB 3.36Å; L221-D225 PolarHBondContact O-N 3.46Å
222	E	82.2	Confident	81.4	Confident	138 Å²	138	76.7 Å²	76.7	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-42.6	175.5	-75	-179.9	-178.4	0	0	111.5	R218 E219 D225 W226	R218-E222 PolarHBondContact O-N 2.81Å; E219-E222 PolarHBondContact O-N 3.05Å; E222-D225 PolarHBondContact O-N 2.92Å; E222-W226 WeakPolarHBondContact O-CB 3.23Å; E222-W226 PolarHBondContact O-N 2.98Å
223	E	82.2	Confident	81	Confident	136 Å²	136	77.9 Å²	77.9	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-63.1	-40.8	173.7	-74.4	-173.8	174.6	0	0	112.2	E219 W226 C227	E219-E223 WeakPolarHBondContact O-CG 3.37Å; E219-E223 PolarHBondContact O-N 2.74Å; E223-W226 PolarHBondContact O-N 3.47Å; E223-C227 WeakPolarHBondContact O-CB 3.39Å; E223-C227 PolarHBondContact O-N 2.92Å; E223-C227 PolarHBondContact O-SG 2.8Å
224	L	87.8	Confident	80.1	Confident	40 Å²	40	76.9 Å²	76.9	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-42.2	178	-179.3	60.7	0	0	0	112.2	R178 T220 L221 W226 C227 L228	R178-L224 HydrophobicContact CB-CD2 3.67Å; R178-L224 HydrophobicContact CB-CG 4.3Å; R178-L224 HydrophobicContact CG-CD2 3.83Å; R178-L224 HydrophobicContact CG-CG 4.24Å; T220-L224 WeakPolarHBondContact O-CB 3.44Å; T220-L224 PolarHBondContact O-N 2.95Å; L221-L224 PolarHBondContact O-N 3.42Å; L224-W226 VanDerWaalsContact C-N 3.35Å; L224-C227 PolarHBondContact O-N 2.86Å; L224-L228 HydrophobicContact CG-CD1 4.47Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.25Å
225	D	86.4	Confident	79.2	Confident	54 Å²	54	77.2 Å²	77.2	29%	0.289	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-40.9	176.1	-78.5	-15.2	0	0	0	110.5	R178 L221 E222 L228 D229	R178-D225 WeakPolarHBondContact CG-OD1 3.3Å; R178-D225 IonicContact CZ-OD1 3.49Å; R178-D225 IonicContact CZ-OD2 3.65Å; R178-D225 IonicContact NE-OD1 2.74Å; R178-D225 PolarHBondContact NE-OD1 2.73Å; R178-D225 IonicContact NE-OD2 3.61Å; R178-D225 IonicContact NH2-OD1 3.38Å; R178-D225 PolarHBondContact NH2-OD1 2.9Å; R178-D225 IonicContact NH2-OD2 2.79Å; R178-D225 PolarHBondContact NH2-OD2 3.39Å; L221-D225 WeakPolarHBondContact O-CB 3.36Å; L221-D225 PolarHBondContact O-N 3.46Å; E222-D225 PolarHBondContact O-N 2.92Å; D225-L228 PolarHBondContact O-N 3.48Å; D225-D229 PolarHBondContact O-N 2.85Å
226	W	82.4	Confident	78.2	Confident	160 Å²	160	77.5 Å²	77.5	61%	0.606	39%	0.386	S	S	*	.	H	α-helix	trans	-61.9	-45.9	172.2	-178.2	83.4	0	0	0	112	E222 E223 L224 L228 D229 Q230	E222-W226 WeakPolarHBondContact O-CB 3.23Å; E222-W226 PolarHBondContact O-N 2.98Å; E223-W226 PolarHBondContact O-N 3.47Å; L224-W226 VanDerWaalsContact C-N 3.35Å; W226-L228 VanDerWaalsContact C-N 3.32Å; W226-L228 PolarHBondContact O-N 3.36Å; W226-D229 PolarHBondContact O-N 3.43Å; W226-Q230 HydrophobicContact CD2-CG 3.81Å; W226-Q230 HydrophobicContact CE3-CG 4.1Å; W226-Q230 HydrophobicContact CG-CG 4.44Å; W226-Q230 HydrophobicContact CH2-CG 3.87Å; W226-Q230 HydrophobicContact CZ2-CG 3.56Å; W226-Q230 HydrophobicContact CZ3-CG 4.12Å; W226-Q230 WeakPolarHBondContact O-CB 3.48Å; W226-Q230 VanDerWaalsContact O-CG 3.31Å; W226-Q230 WeakPolarHBondContact O-CG 3.35Å; W226-Q230 PolarHBondContact O-N 3.22Å
227	C	80.4	Confident	77.3	Confident	56 Å²	56	81.1 Å²	81.1	38%	0.378	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-39.8	176.6	-71.2	0	0	0	0	112.4	E223 L224 Q230 L231	E223-C227 WeakPolarHBondContact O-CB 3.39Å; E223-C227 PolarHBondContact O-N 2.92Å; E223-C227 PolarHBondContact O-SG 2.8Å; L224-C227 PolarHBondContact O-N 2.86Å; C227-Q230 PolarHBondContact O-N 2.87Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 VanDerWaalsContact O-CG 3.23Å; C227-L231 WeakPolarHBondContact O-CG 3.22Å; C227-L231 PolarHBondContact O-N 2.62Å
228	L	83.9	Confident	76.2	Confident	13 Å²	13	90.8 Å²	90.8	7%	0.068	44%	0.437	C	S	.	.	H	α-helix	trans	-65.1	-44.1	176.8	-77.9	172.9	0	0	0	111.7	L171 L174 R175 R178 L224 D225 W226 L231 E232	L171-L228 HydrophobicContact CD1-CD2 3.97Å; L174-L228 HydrophobicContact CB-CD2 3.62Å; L174-L228 HydrophobicContact CD1-CD2 4.35Å; R175-L228 HydrophobicContact CG-CD2 4.4Å; R178-L228 HydrophobicContact CB-CD1 4.04Å; R178-L228 HydrophobicContact CG-CD1 4.07Å; L224-L228 HydrophobicContact CG-CD1 4.47Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.25Å; D225-L228 PolarHBondContact O-N 3.48Å; W226-L228 VanDerWaalsContact C-N 3.32Å; W226-L228 PolarHBondContact O-N 3.36Å; L228-L231 PolarHBondContact O-N 2.81Å; L228-E232 WeakPolarHBondContact O-CG 3.32Å; L228-E232 PolarHBondContact O-N 3.05Å
229	D	80	Confident	75.6	Confident	88 Å²	88	88.1 Å²	88.1	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-42	175.5	-177.1	68.6	0	0	0	111.9	D225 W226 E232 T233	D225-D229 PolarHBondContact O-N 2.85Å; W226-D229 PolarHBondContact O-N 3.43Å; D229-E232 PolarHBondContact O-N 3.43Å; D229-T233 WeakPolarHBondContact O-CB 3.42Å; D229-T233 WeakPolarHBondContact O-CG2 3.34Å; D229-T233 PolarHBondContact O-N 3.01Å; D229-T233 PolarHBondContact O-OG1 3.08Å
230	Q	72.3	Confident	75	Confident	64 Å²	64	84.8 Å²	84.8	30%	0.299	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-43.8	173.4	-68	-52.2	-76.9	0	0	112	W226 C227 E232 T233 I234	W226-Q230 HydrophobicContact CD2-CG 3.81Å; W226-Q230 HydrophobicContact CE3-CG 4.1Å; W226-Q230 HydrophobicContact CG-CG 4.44Å; W226-Q230 HydrophobicContact CH2-CG 3.87Å; W226-Q230 HydrophobicContact CZ2-CG 3.56Å; W226-Q230 HydrophobicContact CZ3-CG 4.12Å; W226-Q230 WeakPolarHBondContact O-CB 3.48Å; W226-Q230 VanDerWaalsContact O-CG 3.31Å; W226-Q230 WeakPolarHBondContact O-CG 3.35Å; W226-Q230 PolarHBondContact O-N 3.22Å; C227-Q230 PolarHBondContact O-N 2.87Å; Q230-E232 VanDerWaalsContact C-N 3.28Å; Q230-E232 PolarHBondContact O-N 3.42Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.26Å; Q230-T233 PolarHBondContact O-N 2.58Å; Q230-T233 PolarHBondContact O-OG1 3.1Å; Q230-T233 VanDerWaalsContact O-OG1 3.08Å; Q230-I234 HydrophobicContact CB-CD1 4.27Å; Q230-I234 WeakPolarHBondContact O-CB 3.15Å; Q230-I234 WeakPolarHBondContact O-CD1 3.47Å; Q230-I234 WeakPolarHBondContact O-CG1 3.41Å; Q230-I234 PolarHBondContact O-N 2.7Å
231	L	75.2	Confident	74.2	Confident	62 Å²	62	85 Å²	85	33%	0.325	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-39.2	175.7	-76.4	169.5	0	0	0	111.7	F167 L171 L174 C227 L228	F167-L231 HydrophobicContact CE2-CD2 4.46Å; F167-L231 HydrophobicContact CZ-CB 4.49Å; F167-L231 VanDerWaalsContact CZ-O 3.29Å; F167-L231 WeakPolarHBondContact CZ-O 3.26Å; L171-L231 HydrophobicContact CD1-CB 4.38Å; L174-L231 HydrophobicContact CD1-CD1 3.7Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 VanDerWaalsContact O-CG 3.23Å; C227-L231 WeakPolarHBondContact O-CG 3.22Å; C227-L231 PolarHBondContact O-N 2.62Å; L228-L231 PolarHBondContact O-N 2.81Å
232	E	74.5	Confident	73.4	Confident	69 Å²	69	89.8 Å²	89.8	32%	0.322	45%	0.445	S	S	.	.	H	α-helix	trans	-69.3	-38.3	177.4	-74	179.3	-152	0	0	113	L171 R175 L228 D229 Q230 Q235	L171-E232 HydrophobicContact CD1-CG 3.88Å; L171-E232 HydrophobicContact CD2-CG 3.77Å; L171-E232 HydrophobicContact CG-CG 4.43Å; R175-E232 IonicContact CZ-OE1 3.75Å; R175-E232 VanDerWaalsContact CZ-OE1 3.26Å; R175-E232 IonicContact NE-OE1 2.76Å; R175-E232 PolarHBondContact NE-OE1 3.08Å; R175-E232 VanDerWaalsContact NE-OE1 3.15Å; R175-E232 IonicContact NH2-OE1 2.66Å; R175-E232 PolarHBondContact NH2-OE1 2.87Å; R175-E232 IonicContact NH2-OE2 3.3Å; R175-E232 PolarHBondContact NH2-OE2 3.25Å; L228-E232 WeakPolarHBondContact O-CG 3.32Å; L228-E232 PolarHBondContact O-N 3.05Å; D229-E232 PolarHBondContact O-N 3.43Å; Q230-E232 VanDerWaalsContact C-N 3.28Å; Q230-E232 PolarHBondContact O-N 3.42Å; E232-Q235 WeakPolarHBondContact O-CB 3.41Å; E232-Q235 WeakPolarHBondContact O-CG 3.28Å
233	T	69.2	Low	72.8	Confident	89 Å²	89	86.8 Å²	86.8	55%	0.546	43%	0.431	S	S	.	.	H	α-helix	trans	-78.8	-27.4	178.5	53	0	0	0	0	113.3	D229 Q230 Q235	D229-T233 WeakPolarHBondContact O-CB 3.42Å; D229-T233 WeakPolarHBondContact O-CG2 3.34Å; D229-T233 PolarHBondContact O-N 3.01Å; D229-T233 PolarHBondContact O-OG1 3.08Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.26Å; Q230-T233 PolarHBondContact O-N 2.58Å; Q230-T233 PolarHBondContact O-OG1 3.1Å; Q230-T233 VanDerWaalsContact O-OG1 3.08Å; T233-Q235 PolarHBondContact O-N 3Å
234	I	63.3	Low	72.2	Confident	103 Å²	103	80.7 Å²	80.7	53%	0.528	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	1.1	174	-70.3	166.1	0	0	0	112.3	Q230 T236	Q230-I234 HydrophobicContact CB-CD1 4.27Å; Q230-I234 WeakPolarHBondContact O-CB 3.15Å; Q230-I234 WeakPolarHBondContact O-CD1 3.47Å; Q230-I234 WeakPolarHBondContact O-CG1 3.41Å; Q230-I234 PolarHBondContact O-N 2.7Å; I234-T236 PolarHBondContact O-N 3.45Å
235	Q	61.5	Low	71.6	Confident	95 Å²	95	81 Å²	81	44%	0.444	41%	0.41	S	S	.	.			trans	-63.5	71.6	171.7	-71.7	-178.8	25.6	0	0	112.3	F167 E232 T233 H237 V240	F167-Q235 HydrophobicContact CE1-CG 3.65Å; F167-Q235 HydrophobicContact CZ-CG 3.97Å; E232-Q235 WeakPolarHBondContact O-CB 3.41Å; E232-Q235 WeakPolarHBondContact O-CG 3.28Å; T233-Q235 PolarHBondContact O-N 3Å; Q235-H237 PolarHBondContact O-N 2.88Å; Q235-V240 HydrophobicContact CG-CG2 4.22Å
236	T	59.8	Low	71	Confident	88 Å²	88	81.7 Å²	81.7	54%	0.54	41%	0.414	S	S	.	.			trans	-69.6	126.6	157.4	60.1	0	0	0	0	106.5	I234 R238 S239	I234-T236 PolarHBondContact O-N 3.45Å; T236-R238 PolarHBondContact O-N 3.08Å; T236-S239 PolarHBondContact O-N 3.47Å; T236-S239 PolarHBondContact O-OG 3.13Å; T236-S239 VanDerWaalsContact O-OG 3.11Å; T236-S239 PolarHBondContact OG1-OG 3.16Å
237	H	59.1	Low	70.5	Confident	178 Å²	178	76.7 Å²	76.7	82%	0.824	40%	0.396	S	S	*	.	H	α-helix	trans	-49.8	-29.4	-178.5	-76.5	-78.2	0	0	0	112.8	Q235 S241	Q235-H237 PolarHBondContact O-N 2.88Å; H237-S241 WeakPolarHBondContact O-CB 3.45Å; H237-S241 PolarHBondContact O-N 3.31Å; H237-S241 PolarHBondContact O-OG 3.34Å; H237-S241 VanDerWaalsContact O-OG 3.12Å
238	R	61.4	Low	70.3	Confident	209 Å²	209	77.6 Å²	77.6	79%	0.789	39%	0.394	S	S	*	.	H	α-helix	trans	-67.5	-49.2	178.1	-155.5	175.3	-171.6	163	3	112.9	T236 V240 S241 E242	T236-R238 PolarHBondContact O-N 3.08Å; R238-V240 PolarHBondContact O-N 3.07Å; R238-S241 PolarHBondContact O-N 3.31Å; R238-S241 PolarHBondContact O-OG 3.31Å; R238-E242 WeakPolarHBondContact O-CB 3.46Å; R238-E242 PolarHBondContact O-N 3Å
239	S	68.2	Low	70	Confident	38 Å²	38	79 Å²	79	27%	0.266	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-41.1	-175.4	67.6	0	0	0	0	112.8	T236 E242 M243	T236-S239 PolarHBondContact O-N 3.47Å; T236-S239 PolarHBondContact O-OG 3.13Å; T236-S239 VanDerWaalsContact O-OG 3.11Å; T236-S239 PolarHBondContact OG1-OG 3.16Å; S239-E242 PolarHBondContact O-N 3.22Å; S239-M243 WeakPolarHBondContact O-CE 3.14Å; S239-M243 WeakPolarHBondContact O-CG 3.44Å; S239-M243 PolarHBondContact O-N 3.36Å
240	V	70.3	Confident	69.8	Low	25 Å²	25	84.3 Å²	84.3	15%	0.152	41%	0.413	C	S	.	.	H	α-helix	trans	-69	-42.1	176.8	-179.8	0	0	0	0	111.4	F167 Q235 R238 E242 M243 A244	F167-V240 HydrophobicContact CB-CG1 4.16Å; F167-V240 HydrophobicContact CB-CG2 4.47Å; F167-V240 HydrophobicContact CD1-CG1 4.3Å; F167-V240 HydrophobicContact CD1-CG2 3.87Å; F167-V240 HydrophobicContact CE1-CG2 4.31Å; F167-V240 HydrophobicContact CG-CG1 4.46Å; F167-V240 HydrophobicContact CG-CG2 4.03Å; Q235-V240 HydrophobicContact CG-CG2 4.22Å; R238-V240 PolarHBondContact O-N 3.07Å; V240-E242 VanDerWaalsContact C-N 3.31Å; V240-E242 PolarHBondContact O-N 3.07Å; V240-M243 HydrophobicContact CG2-CE 4.36Å; V240-M243 PolarHBondContact O-N 3.19Å; V240-A244 PolarHBondContact O-N 2.89Å; V240-A244 VanDerWaalsContact O-N 3.07Å
241	S	70.2	Confident	70	Confident	68 Å²	68	83.5 Å²	83.5	48%	0.476	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-36.2	176.4	75.5	0	0	0	0	112.2	H237 R238 A244 S245	H237-S241 WeakPolarHBondContact O-CB 3.45Å; H237-S241 PolarHBondContact O-N 3.31Å; H237-S241 PolarHBondContact O-OG 3.34Å; H237-S241 VanDerWaalsContact O-OG 3.12Å; R238-S241 PolarHBondContact O-N 3.31Å; R238-S241 PolarHBondContact O-OG 3.31Å; S241-A244 PolarHBondContact O-N 2.73Å; S241-S245 WeakPolarHBondContact O-CB 3.38Å; S241-S245 PolarHBondContact O-N 2.96Å
242	E	71.7	Confident	70.2	Confident	113 Å²	113	82.6 Å²	82.6	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-68.8	-44	177.6	-177.1	171.5	-174.4	0	0	111.5	R238 S239 V240 A244 S245 N246	R238-E242 WeakPolarHBondContact O-CB 3.46Å; R238-E242 PolarHBondContact O-N 3Å; S239-E242 PolarHBondContact O-N 3.22Å; V240-E242 VanDerWaalsContact C-N 3.31Å; V240-E242 PolarHBondContact O-N 3.07Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.14Å; E242-S245 PolarHBondContact O-N 3.23Å; E242-N246 VanDerWaalsContact O-CB 3.27Å; E242-N246 WeakPolarHBondContact O-CB 3.25Å; E242-N246 VanDerWaalsContact O-CG 3.27Å; E242-N246 PolarHBondContact O-N 3.01Å; E242-N246 PolarHBondContact O-ND2 3.32Å
243	M	68.6	Low	70.4	Confident	74 Å²	74	80.9 Å²	80.9	37%	0.365	40%	0.398	S	S	.	.	H	α-helix	trans	-58.1	-43.2	173.3	-75.8	-172	-89.4	0	0	112.1	P166 F167 S239 V240 K247	P166-M243 HydrophobicContact CG-CB 4.18Å; F167-M243 HydrophobicContact CB-CE 3.89Å; F167-M243 HydrophobicContact CB-SD 4.24Å; F167-M243 HydrophobicContact CD2-CE 3.61Å; F167-M243 HydrophobicContact CD2-SD 4.4Å; F167-M243 HydrophobicContact CG-CE 4Å; S239-M243 WeakPolarHBondContact O-CE 3.14Å; S239-M243 WeakPolarHBondContact O-CG 3.44Å; S239-M243 PolarHBondContact O-N 3.36Å; V240-M243 HydrophobicContact CG2-CE 4.36Å; V240-M243 PolarHBondContact O-N 3.19Å; M243-K247 PolarHBondContact O-N 3.42Å; M243-K247 VanDerWaalsContact O-N 3.12Å
244	A	70.8	Confident	70.9	Confident	9 Å²	9	83 Å²	83	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-48.1	176.3	0	0	0	0	0	112	T165 V240 S241 E242 N246 K247 F248	T165-A244 HydrophobicContact CG2-CB 3.9Å; V240-A244 PolarHBondContact O-N 2.89Å; V240-A244 VanDerWaalsContact O-N 3.07Å; S241-A244 PolarHBondContact O-N 2.73Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.14Å; A244-N246 VanDerWaalsContact C-N 3.33Å; A244-N246 PolarHBondContact O-N 2.83Å; A244-K247 WeakPolarHBondContact O-CB 3.45Å; A244-K247 PolarHBondContact O-N 3.06Å; A244-K247 VanDerWaalsContact O-N 3.15Å; A244-F248 HydrophobicContact CB-CD2 4.43Å; A244-F248 HydrophobicContact CB-CE2 4.05Å; A244-F248 WeakPolarHBondContact O-CD2 3.4Å; A244-F248 WeakPolarHBondContact O-CG 3.44Å; A244-F248 PolarHBondContact O-N 3.15Å
245	S	73.9	Confident	71.7	Confident	45 Å²	45	80 Å²	80	32%	0.315	38%	0.38	S	S	.	.	H	α-helix	trans	-57.2	-45	177.1	-177.5	0	0	0	0	111.4	S241 E242 K247 F248 K249	S241-S245 WeakPolarHBondContact O-CB 3.38Å; S241-S245 PolarHBondContact O-N 2.96Å; E242-S245 PolarHBondContact O-N 3.23Å; S245-K247 PolarHBondContact O-N 3.1Å; S245-F248 PolarHBondContact O-N 3.48Å; S245-K249 WeakPolarHBondContact O-CB 3.38Å; S245-K249 VanDerWaalsContact O-CG 3.24Å; S245-K249 WeakPolarHBondContact O-CG 3.33Å; S245-K249 PolarHBondContact O-N 3.43Å; S245-K249 WeakPolarHBondContact OG-CE 3.37Å
246	N	74.7	Confident	72.7	Confident	70 Å²	70	75.7 Å²	75.7	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176.5	-75.1	-25.9	0	0	0	112.3	E242 A244 R250	E242-N246 VanDerWaalsContact O-CB 3.27Å; E242-N246 WeakPolarHBondContact O-CB 3.25Å; E242-N246 VanDerWaalsContact O-CG 3.27Å; E242-N246 PolarHBondContact O-N 3.01Å; E242-N246 PolarHBondContact O-ND2 3.32Å; A244-N246 VanDerWaalsContact C-N 3.33Å; A244-N246 PolarHBondContact O-N 2.83Å; N246-R250 WeakPolarHBondContact O-CB 3.21Å; N246-R250 WeakPolarHBondContact O-CG 3.33Å; N246-R250 PolarHBondContact O-N 3.02Å
247	K	72.3	Confident	73.7	Confident	55 Å²	55	74.7 Å²	74.7	24%	0.239	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-48.3	172.1	-175.1	179.6	178.4	-178.8	0	111	V164 P166 M243 A244 S245 K249 R250 M251	V164-K247 PolarHBondContact O-NZ 3.29Å; V164-K247 VanDerWaalsContact O-NZ 3.17Å; P166-K247 HydrophobicContact CB-CD 4.2Å; P166-K247 HydrophobicContact CG-CB 4.14Å; P166-K247 HydrophobicContact CG-CD 3.84Å; M243-K247 PolarHBondContact O-N 3.42Å; M243-K247 VanDerWaalsContact O-N 3.12Å; A244-K247 WeakPolarHBondContact O-CB 3.45Å; A244-K247 PolarHBondContact O-N 3.06Å; A244-K247 VanDerWaalsContact O-N 3.15Å; S245-K247 PolarHBondContact O-N 3.1Å; K247-K249 PolarHBondContact O-N 3.1Å; K247-R250 PolarHBondContact O-N 2.9Å; K247-M251 HydrophobicContact CG-SD 4.06Å; K247-M251 VanDerWaalsContact O-CG 3.31Å; K247-M251 WeakPolarHBondContact O-CG 3.26Å; K247-M251 PolarHBondContact O-N 3.13Å
248	F	75.3	Confident	74.7	Confident	74 Å²	74	69.9 Å²	69.9	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-43.6	178.1	-67.4	-52.6	0	0	0	112.6	L133 I163 A244 S245 R250 M251 L252	L133-F248 HydrophobicContact CD2-CD1 3.9Å; L133-F248 HydrophobicContact CD2-CE1 3.87Å; I163-F248 HydrophobicContact CB-CE1 4.17Å; I163-F248 HydrophobicContact CD1-CE1 4.04Å; I163-F248 HydrophobicContact CG2-CD1 4.29Å; I163-F248 HydrophobicContact CG2-CE1 3.4Å; I163-F248 VanDerWaalsContact CG2-CE1 3.4Å; I163-F248 HydrophobicContact CG2-CZ 3.89Å; A244-F248 HydrophobicContact CB-CD2 4.43Å; A244-F248 HydrophobicContact CB-CE2 4.05Å; A244-F248 WeakPolarHBondContact O-CD2 3.4Å; A244-F248 WeakPolarHBondContact O-CG 3.44Å; A244-F248 PolarHBondContact O-N 3.15Å; S245-F248 PolarHBondContact O-N 3.48Å; F248-R250 PolarHBondContact O-N 3.46Å; F248-M251 PolarHBondContact O-N 3Å; F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 2.95Å
249	K	77.3	Confident	75.5	Confident	44 Å²	44	63 Å²	63	19%	0.191	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-42.8	175.7	-73.2	172.8	177.7	173.2	0	111.5	S245 K247 N253 L278 D280	S245-K249 WeakPolarHBondContact O-CB 3.38Å; S245-K249 VanDerWaalsContact O-CG 3.24Å; S245-K249 WeakPolarHBondContact O-CG 3.33Å; S245-K249 PolarHBondContact O-N 3.43Å; S245-K249 WeakPolarHBondContact OG-CE 3.37Å; K247-K249 PolarHBondContact O-N 3.1Å; K249-N253 WeakPolarHBondContact O-CB 3.32Å; K249-N253 PolarHBondContact O-N 3.33Å; K249-N253 PolarHBondContact O-ND2 2.92Å; K249-L278 HydrophobicContact CB-CD2 3.87Å; K249-L278 HydrophobicContact CG-CD2 3.67Å; K249-D280 IonicContact NZ-OD2 3.6Å; K249-D280 PolarHBondContact NZ-OD2 3.11Å
250	R	77.4	Confident	76.3	Confident	198 Å²	198	62.9 Å²	62.9	75%	0.747	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-46.7	176.6	-76.4	-179.3	-178.5	179.8	2.1	112	N246 K247 F248 L252 N253 R254	N246-R250 WeakPolarHBondContact O-CB 3.21Å; N246-R250 WeakPolarHBondContact O-CG 3.33Å; N246-R250 PolarHBondContact O-N 3.02Å; K247-R250 PolarHBondContact O-N 2.9Å; F248-R250 PolarHBondContact O-N 3.46Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 3.2Å; R250-N253 PolarHBondContact O-N 3.36Å; R250-R254 PolarHBondContact O-N 3.42Å; R250-R254 VanDerWaalsContact O-N 3.11Å
251	M	74.8	Confident	77.1	Confident	47 Å²	47	69.3 Å²	69.3	23%	0.232	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-43.2	176.8	-69.1	176.8	65.4	0	0	111	F132 I163 K247 F248 N253 R254 E255	F132-M251 VanDerWaalsContact CE2-C 3.49Å; F132-M251 HydrophobicContact CE2-CB 3.68Å; F132-M251 HydrophobicContact CE2-CE 4.27Å; F132-M251 WeakPolarHBondContact CE2-O 3.43Å; F132-M251 HydrophobicContact CZ-CB 3.35Å; F132-M251 HydrophobicContact CZ-CE 4.34Å; I163-M251 HydrophobicContact CD1-CE 3.55Å; I163-M251 HydrophobicContact CD1-SD 4.14Å; I163-M251 HydrophobicContact CG1-CE 4.2Å; K247-M251 HydrophobicContact CG-SD 4.06Å; K247-M251 VanDerWaalsContact O-CG 3.31Å; K247-M251 WeakPolarHBondContact O-CG 3.26Å; K247-M251 PolarHBondContact O-N 3.13Å; F248-M251 PolarHBondContact O-N 3Å; M251-N253 PolarHBondContact O-N 3.27Å; M251-R254 WeakPolarHBondContact O-CB 3.5Å; M251-R254 PolarHBondContact O-N 2.82Å; M251-E255 PolarHBondContact O-N 3.45Å
252	L	79.8	Confident	77.7	Confident	44 Å²	44	71.5 Å²	71.5	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-41.2	178.5	-177.2	58.7	0	0	0	111.2	F132 F248 R250 R254 E255 L256 I273 L278	F132-L252 HydrophobicContact CE1-CB 4.24Å; F132-L252 HydrophobicContact CE1-CD1 4.38Å; F132-L252 HydrophobicContact CZ-CB 4.15Å; F132-L252 VanDerWaalsContact CZ-N 3.29Å; F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 2.95Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 3.2Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 3.47Å; L252-E255 PolarHBondContact O-N 3.48Å; L252-L256 HydrophobicContact CD1-CD1 4.38Å; L252-L256 HydrophobicContact CD1-CD2 4.49Å; L252-L256 HydrophobicContact CD1-CG 4.15Å; L252-L256 HydrophobicContact CG-CD1 3.95Å; L252-L256 HydrophobicContact CG-CG 4.19Å; L252-L256 WeakPolarHBondContact O-CB 3.36Å; L252-L256 VanDerWaalsContact O-CG 3.23Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 3Å; L252-I273 HydrophobicContact CD2-CG2 4.39Å; L252-L278 HydrophobicContact CB-CD1 4.46Å; L252-L278 HydrophobicContact CB-CD2 4.45Å; L252-L278 HydrophobicContact CD2-CD1 4.11Å; L252-L278 HydrophobicContact CD2-CD2 3.88Å; L252-L278 HydrophobicContact CD2-CG 4.01Å; L252-L278 HydrophobicContact CG-CD1 4.1Å; L252-L278 HydrophobicContact CG-CD2 4.46Å
253	N	78.7	Confident	78.3	Confident	32 Å²	32	68.6 Å²	68.6	17%	0.171	34%	0.336	C	S	.	.	H	α-helix	trans	-57.8	-39.3	173.8	-83.6	-58.3	0	0	0	112.9	K249 R250 M251 L256 S257 L278 K281	K249-N253 WeakPolarHBondContact O-CB 3.32Å; K249-N253 PolarHBondContact O-N 3.33Å; K249-N253 PolarHBondContact O-ND2 2.92Å; R250-N253 PolarHBondContact O-N 3.36Å; M251-N253 PolarHBondContact O-N 3.27Å; N253-L256 PolarHBondContact O-N 2.97Å; N253-S257 PolarHBondContact O-N 3.03Å; N253-S257 PolarHBondContact O-OG 3.18Å; N253-S257 VanDerWaalsContact O-OG 3.12Å; N253-L278 VanDerWaalsContact OD1-CD1 3.28Å; N253-L278 WeakPolarHBondContact OD1-CD1 3.37Å; N253-K281 WeakPolarHBondContact ND2-CE 3.48Å; N253-K281 WeakPolarHBondContact OD1-CE 3.29Å; N253-K281 PolarHBondContact OD1-NZ 3.48Å
254	R	80.3	Confident	78.8	Confident	134 Å²	134	75.3 Å²	75.3	51%	0.506	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-46.9	177.4	-169.3	176.1	76.6	163.9	8.2	111.4	D137 R250 M251 L252 S257 H258	D137-R254 IonicContact OD1-CZ 2.67Å; D137-R254 IonicContact OD1-NH1 3.31Å; D137-R254 PolarHBondContact OD1-NH1 3.27Å; D137-R254 IonicContact OD1-NH2 3.77Å; D137-R254 PolarHBondContact OD1-NH2 3Å; D137-R254 IonicContact OD2-NH1 3.6Å; R250-R254 PolarHBondContact O-N 3.42Å; R250-R254 VanDerWaalsContact O-N 3.11Å; M251-R254 WeakPolarHBondContact O-CB 3.5Å; M251-R254 PolarHBondContact O-N 2.82Å; L252-R254 VanDerWaalsContact C-N 3.28Å; L252-R254 PolarHBondContact O-N 3.47Å; R254-S257 PolarHBondContact O-N 2.92Å; R254-H258 PolarHBondContact O-N 3.36Å
255	E	79.6	Confident	79.4	Confident	41 Å²	41	78.5 Å²	78.5	19%	0.192	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-40.2	176.9	-65.2	-56.3	136.9	0	0	112.9	F132 M251 L252 S257 H258 L259	F132-E255 HydrophobicContact CD2-CB 4.38Å; F132-E255 HydrophobicContact CD2-CG 3.18Å; F132-E255 HydrophobicContact CE2-CG 3.46Å; F132-E255 VanDerWaalsContact CE2-CG 3.46Å; F132-E255 HydrophobicContact CG-CG 4.07Å; M251-E255 PolarHBondContact O-N 3.45Å; L252-E255 PolarHBondContact O-N 3.48Å; E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å; E255-H258 PolarHBondContact O-N 3.36Å; E255-L259 WeakPolarHBondContact O-CB 3.44Å; E255-L259 WeakPolarHBondContact O-CG 3.45Å; E255-L259 PolarHBondContact O-N 2.86Å
256	L	83.8	Confident	79.8	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-36.4	179.1	-70	178.6	0	0	0	111.8	L252 N253 L259 S260 S270 I273 L278	L252-L256 HydrophobicContact CD1-CD1 4.38Å; L252-L256 HydrophobicContact CD1-CD2 4.49Å; L252-L256 HydrophobicContact CD1-CG 4.15Å; L252-L256 HydrophobicContact CG-CD1 3.95Å; L252-L256 HydrophobicContact CG-CG 4.19Å; L252-L256 WeakPolarHBondContact O-CB 3.36Å; L252-L256 VanDerWaalsContact O-CG 3.23Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 3Å; N253-L256 PolarHBondContact O-N 2.97Å; L256-L259 HydrophobicContact CD2-CD1 4.28Å; L256-L259 PolarHBondContact O-N 3.19Å; L256-S260 WeakPolarHBondContact O-CB 3.25Å; L256-S260 PolarHBondContact O-N 3.46Å; L256-S270 VanDerWaalsContact C-OG 3.3Å; L256-S270 WeakPolarHBondContact CB-OG 3.2Å; L256-S270 WeakPolarHBondContact O-CB 3.14Å; L256-S270 PolarHBondContact O-OG 3.08Å; L256-I273 HydrophobicContact CD1-CB 4.25Å; L256-I273 HydrophobicContact CD1-CG2 3.87Å; L256-I273 HydrophobicContact CD2-CB 3.82Å; L256-I273 HydrophobicContact CD2-CD1 3.92Å; L256-I273 HydrophobicContact CD2-CG1 4.48Å; L256-I273 HydrophobicContact CD2-CG2 3.81Å; L256-I273 HydrophobicContact CG-CG2 4.44Å; L256-L278 HydrophobicContact CD1-CD1 3.53Å
257	S	78.9	Confident	80.4	Confident	67 Å²	67	76.9 Å²	76.9	47%	0.469	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-45.9	171.9	-65.4	0	0	0	0	111.2	N253 R254 E255 L259 S260 E261	N253-S257 PolarHBondContact O-N 3.03Å; N253-S257 PolarHBondContact O-OG 3.18Å; N253-S257 VanDerWaalsContact O-OG 3.12Å; R254-S257 PolarHBondContact O-N 2.92Å; E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å; S257-L259 PolarHBondContact O-N 2.77Å; S257-S260 WeakPolarHBondContact O-CB 3.47Å; S257-S260 PolarHBondContact O-N 3.11Å; S257-E261 WeakPolarHBondContact O-CG 3.37Å; S257-E261 PolarHBondContact O-N 2.69Å; S257-E261 VanDerWaalsContact O-N 3.14Å
258	H	80.5	Confident	81	Confident	76 Å²	76	80 Å²	80	35%	0.352	39%	0.385	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.5	-175.2	-108.7	0	0	0	111.8	R254 E255 S260 E261 M262	R254-H258 PolarHBondContact O-N 3.36Å; E255-H258 PolarHBondContact O-N 3.36Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 2.88Å; H258-E261 PolarHBondContact O-N 2.85Å; H258-M262 PolarHBondContact CE1-SD 3.14Å; H258-M262 PolarHBondContact ND1-SD 3.49Å; H258-M262 WeakPolarHBondContact O-CG 3.36Å; H258-M262 PolarHBondContact O-N 3.25Å
259	L	79.1	Confident	81.5	Confident	65 Å²	65	80.1 Å²	80.1	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-34	175.1	-75	169.3	0	0	0	113.2	E255 L256 S257 M262 G266	E255-L259 WeakPolarHBondContact O-CB 3.44Å; E255-L259 WeakPolarHBondContact O-CG 3.45Å; E255-L259 PolarHBondContact O-N 2.86Å; L256-L259 HydrophobicContact CD2-CD1 4.28Å; L256-L259 PolarHBondContact O-N 3.19Å; S257-L259 PolarHBondContact O-N 2.77Å; L259-M262 HydrophobicContact CD2-CE 4.08Å; L259-M262 HydrophobicContact CD2-SD 4.08Å; L259-G266 CarbonylContact O-C 3.54Å; L259-G266 VanDerWaalsContact O-C 3.32Å; L259-G266 VanDerWaalsContact O-CA 3.28Å; L259-G266 WeakPolarHBondContact O-CA 3.44Å
260	S	85.1	Confident	81.8	Confident	35 Å²	35	78.6 Å²	78.6	25%	0.245	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-42.1	176.5	-179.3	0	0	0	0	112	L256 S257 H258 M262 N267	L256-S260 WeakPolarHBondContact O-CB 3.25Å; L256-S260 PolarHBondContact O-N 3.46Å; S257-S260 WeakPolarHBondContact O-CB 3.47Å; S257-S260 PolarHBondContact O-N 3.11Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 2.88Å; S260-M262 VanDerWaalsContact C-N 3.32Å; S260-M262 PolarHBondContact O-N 2.85Å; S260-N267 PolarHBondContact OG-OD1 3.44Å
261	E	86.3	Confident	82.2	Confident	161 Å²	161	74.7 Å²	74.7	75%	0.752	38%	0.377	S	S	*	.	H	α-helix	trans	-71	-25.2	-179.9	-69	172.8	-170.4	0	0	113.3	S257 H258	S257-E261 WeakPolarHBondContact O-CG 3.37Å; S257-E261 PolarHBondContact O-N 2.69Å; S257-E261 VanDerWaalsContact O-N 3.14Å; H258-E261 PolarHBondContact O-N 2.85Å
262	M	82.3	Confident	82.7	Confident	114 Å²	114	79.3 Å²	79.3	56%	0.562	39%	0.393	S	S	*	.	H	α-helix	trans	-73.3	-31.6	-175.4	-72	153.9	66.8	0	0	114.4	H258 L259 S260	H258-M262 PolarHBondContact CE1-SD 3.14Å; H258-M262 PolarHBondContact ND1-SD 3.49Å; H258-M262 WeakPolarHBondContact O-CG 3.36Å; H258-M262 PolarHBondContact O-N 3.25Å; L259-M262 HydrophobicContact CD2-CE 4.08Å; L259-M262 HydrophobicContact CD2-SD 4.08Å; S260-M262 VanDerWaalsContact C-N 3.32Å; S260-M262 PolarHBondContact O-N 2.85Å
263	S	84.2	Confident	82.9	Confident	52 Å²	52	79.2 Å²	79.2	36%	0.364	39%	0.392	S	S	.	.			trans	-168	159.4	-179.7	61.9	0	0	0	0	113.2	S265 G266 N267	S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact OG-OG 3.18Å; S263-S265 VanDerWaalsContact OG-OG 3.11Å; S263-G266 CarbonylContact O-C 3.32Å; S263-G266 WeakPolarHBondContact O-CA 3.49Å; S263-G266 PolarHBondContact O-N 2.91Å; S263-G266 WeakPolarHBondContact OG-CA 3.5Å; S263-G266 PolarHBondContact OG-N 3.35Å; S263-N267 PolarHBondContact O-N 3.47Å
264	R	80	Confident	83.1	Confident	214 Å²	214	79.1 Å²	79.1	81%	0.808	39%	0.394	S	S	*	.	H	α-helix	trans	-60.3	-35.2	173.4	-172	175	175.5	167.4	-0.2	113.1	Q268	R264-Q268 PolarHBondContact O-N 3.22Å
265	S	83.9	Confident	83.2	Confident	76 Å²	76	77.4 Å²	77.4	53%	0.531	40%	0.398	S	S	.	.	H	α-helix	trans	-70.5	-36.6	171.7	45.6	0	0	0	0	112.1	S263 Q268 V269	S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact OG-OG 3.18Å; S263-S265 VanDerWaalsContact OG-OG 3.11Å; S265-Q268 PolarHBondContact O-N 3.47Å; S265-V269 WeakPolarHBondContact O-CG2 3.2Å; S265-V269 PolarHBondContact O-N 3.13Å
266	G	82.1	Confident	83.4	Confident	10 Å²	10	78.8 Å²	78.8	10%	0.103	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-38.7	174.3	0	0	0	0	0	112.3	L259 S263 V269 S270	L259-G266 CarbonylContact O-C 3.54Å; L259-G266 VanDerWaalsContact O-C 3.32Å; L259-G266 VanDerWaalsContact O-CA 3.28Å; L259-G266 WeakPolarHBondContact O-CA 3.44Å; S263-G266 CarbonylContact O-C 3.32Å; S263-G266 WeakPolarHBondContact O-CA 3.49Å; S263-G266 PolarHBondContact O-N 2.91Å; S263-G266 WeakPolarHBondContact OG-CA 3.5Å; S263-G266 PolarHBondContact OG-N 3.35Å; G266-V269 PolarHBondContact O-N 3.44Å; G266-S270 WeakPolarHBondContact O-CB 3.45Å; G266-S270 PolarHBondContact O-N 3.07Å
267	N	86.1	Confident	83.2	Confident	71 Å²	71	85 Å²	85	38%	0.38	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-46.9	172	-175.9	43.5	0	0	0	112.3	S260 S263 V269 S270 E271	S260-N267 PolarHBondContact OG-OD1 3.44Å; S263-N267 PolarHBondContact O-N 3.47Å; N267-V269 PolarHBondContact O-N 3.28Å; N267-S270 WeakPolarHBondContact O-CB 3.33Å; N267-S270 PolarHBondContact O-N 2.78Å; N267-E271 WeakPolarHBondContact O-CB 3.39Å; N267-E271 PolarHBondContact O-N 2.99Å
268	Q	85.4	Confident	83	Confident	121 Å²	121	82.1 Å²	82.1	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-63	-40.9	177.7	-70.6	176.9	-21.7	0	0	112.8	R264 S265 Y272	R264-Q268 PolarHBondContact O-N 3.22Å; S265-Q268 PolarHBondContact O-N 3.47Å; Q268-Y272 WeakPolarHBondContact O-CB 3.24Å; Q268-Y272 PolarHBondContact O-N 3.5Å
269	V	85.4	Confident	81.8	Confident	77 Å²	77	81.6 Å²	81.6	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-68.2	-40	176.3	173.2	0	0	0	0	110.7	S265 G266 N267 Y272 I273	S265-V269 WeakPolarHBondContact O-CG2 3.2Å; S265-V269 PolarHBondContact O-N 3.13Å; G266-V269 PolarHBondContact O-N 3.44Å; N267-V269 PolarHBondContact O-N 3.28Å; V269-Y272 PolarHBondContact O-N 3.21Å; V269-I273 HydrophobicContact CG1-CD1 3.68Å; V269-I273 HydrophobicContact CG1-CG1 4.33Å; V269-I273 VanDerWaalsContact O-CG1 3.26Å; V269-I273 WeakPolarHBondContact O-CG1 3.48Å; V269-I273 PolarHBondContact O-N 2.94Å
270	S	85.1	Confident	80.6	Confident	12 Å²	12	84.5 Å²	84.5	8%	0.084	44%	0.441	C	S	.	.	H	α-helix	trans	-61.1	-47	176.5	-179.5	0	0	0	0	111.5	L256 G266 N267 I273 S274	L256-S270 VanDerWaalsContact C-OG 3.3Å; L256-S270 WeakPolarHBondContact CB-OG 3.2Å; L256-S270 WeakPolarHBondContact O-CB 3.14Å; L256-S270 PolarHBondContact O-OG 3.08Å; G266-S270 WeakPolarHBondContact O-CB 3.45Å; G266-S270 PolarHBondContact O-N 3.07Å; N267-S270 WeakPolarHBondContact O-CB 3.33Å; N267-S270 PolarHBondContact O-N 2.78Å; S270-I273 PolarHBondContact O-N 2.64Å; S270-S274 VanDerWaalsContact O-CB 3.28Å; S270-S274 WeakPolarHBondContact O-CB 3.23Å; S270-S274 PolarHBondContact O-N 2.82Å
271	E	84.2	Confident	78.8	Confident	116 Å²	116	87.8 Å²	87.8	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176	-171.5	176.8	-166.1	0	0	111.7	N267 S274 T275	N267-E271 WeakPolarHBondContact O-CB 3.39Å; N267-E271 PolarHBondContact O-N 2.99Å; E271-S274 PolarHBondContact O-N 3.21Å; E271-T275 VanDerWaalsContact O-CB 3.26Å; E271-T275 WeakPolarHBondContact O-CB 3.48Å; E271-T275 PolarHBondContact O-N 3.23Å; E271-T275 PolarHBondContact O-OG1 2.62Å
272	Y	85.3	Confident	76.7	Confident	143 Å²	143	86.5 Å²	86.5	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-60	-48.4	175.2	170.5	-105.5	0	0	0	112.2	Q268 V269 T275 T276 F277	Q268-Y272 WeakPolarHBondContact O-CB 3.24Å; Q268-Y272 PolarHBondContact O-N 3.5Å; V269-Y272 PolarHBondContact O-N 3.21Å; Y272-T275 PolarHBondContact O-N 3.09Å; Y272-T276 WeakPolarHBondContact CE2-OG1 3.33Å; Y272-T276 WeakPolarHBondContact O-CB 3.27Å; Y272-T276 PolarHBondContact O-N 3.47Å; Y272-T276 PolarHBondContact O-OG1 3.49Å; Y272-F277 HydrophobicContact CE1-CE2 4.39Å
273	I	85.4	Confident	74.5	Confident	42 Å²	42	87.2 Å²	87.2	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-67.4	-42	-178.6	-64.2	168.2	0	0	0	110.5	L252 L256 V269 S270 T276 F277	L252-I273 HydrophobicContact CD2-CG2 4.39Å; L256-I273 HydrophobicContact CD1-CB 4.25Å; L256-I273 HydrophobicContact CD1-CG2 3.87Å; L256-I273 HydrophobicContact CD2-CB 3.82Å; L256-I273 HydrophobicContact CD2-CD1 3.92Å; L256-I273 HydrophobicContact CD2-CG1 4.48Å; L256-I273 HydrophobicContact CD2-CG2 3.81Å; L256-I273 HydrophobicContact CG-CG2 4.44Å; V269-I273 HydrophobicContact CG1-CD1 3.68Å; V269-I273 HydrophobicContact CG1-CG1 4.33Å; V269-I273 VanDerWaalsContact O-CG1 3.26Å; V269-I273 WeakPolarHBondContact O-CG1 3.48Å; V269-I273 PolarHBondContact O-N 2.94Å; S270-I273 PolarHBondContact O-N 2.64Å; I273-T276 PolarHBondContact O-N 3.21Å; I273-F277 HydrophobicContact CB-CD2 4.45Å; I273-F277 HydrophobicContact CG2-CB 4.49Å; I273-F277 HydrophobicContact CG2-CD2 4Å; I273-F277 WeakPolarHBondContact O-CB 3.26Å; I273-F277 PolarHBondContact O-N 2.93Å
274	S	83.1	Confident	72.3	Confident	30 Å²	30	90.2 Å²	90.2	21%	0.21	46%	0.459	C	S	.	.	H	α-helix	trans	-62.7	-45.7	178.2	-152.8	0	0	0	0	111.3	S270 E271 T276 L278 A279	S270-S274 VanDerWaalsContact O-CB 3.28Å; S270-S274 WeakPolarHBondContact O-CB 3.23Å; S270-S274 PolarHBondContact O-N 2.82Å; E271-S274 PolarHBondContact O-N 3.21Å; S274-T276 PolarHBondContact O-N 3.48Å; S274-L278 CarbonylContact O-C 3.58Å; S274-L278 WeakPolarHBondContact O-CA 3.44Å; S274-L278 VanDerWaalsContact O-CB 3.29Å; S274-L278 WeakPolarHBondContact O-CB 3.48Å; S274-L278 PolarHBondContact O-N 3.39Å; S274-L278 VanDerWaalsContact O-N 3.11Å; S274-A279 PolarHBondContact O-N 2.94Å
275	T	82.1	Confident	70.3	Confident	98 Å²	98	85 Å²	85	60%	0.601	45%	0.451	S	S	*	.	H	α-helix	trans	-70.1	-30.6	-179.5	-52	0	0	0	0	112.6	E271 Y272 A279	E271-T275 VanDerWaalsContact O-CB 3.26Å; E271-T275 WeakPolarHBondContact O-CB 3.48Å; E271-T275 PolarHBondContact O-N 3.23Å; E271-T275 PolarHBondContact O-OG1 2.62Å; Y272-T275 PolarHBondContact O-N 3.09Å; T275-A279 WeakPolarHBondContact O-CB 3.21Å
276	T	83.9	Confident	67.8	Low	71 Å²	71	89 Å²	89	44%	0.436	46%	0.461	S	S	.	.	H	α-helix	trans	-92.7	-41.1	-174.7	-51.7	0	0	0	0	113	Y272 I273 S274	Y272-T276 WeakPolarHBondContact CE2-OG1 3.33Å; Y272-T276 WeakPolarHBondContact O-CB 3.27Å; Y272-T276 PolarHBondContact O-N 3.47Å; Y272-T276 PolarHBondContact O-OG1 3.49Å; I273-T276 PolarHBondContact O-N 3.21Å; S274-T276 PolarHBondContact O-N 3.48Å
277	F	79.8	Confident	65.7	Low	135 Å²	135	92.8 Å²	92.8	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-111.9	-12	-170.7	-60.1	-83.7	0	0	0	113.9	Y272 I273	Y272-F277 HydrophobicContact CE1-CE2 4.39Å; I273-F277 HydrophobicContact CB-CD2 4.45Å; I273-F277 HydrophobicContact CG2-CB 4.49Å; I273-F277 HydrophobicContact CG2-CD2 4Å; I273-F277 WeakPolarHBondContact O-CB 3.26Å; I273-F277 PolarHBondContact O-N 2.93Å
278	L	73.5	Confident	62.9	Low	6 Å²	6	94.6 Å²	94.6	3%	0.031	49%	0.494	C	S	.	.	S	Bend	trans	-116.6	14	177	-61.6	175.7	0	0	0	112.8	K249 L252 N253 L256 S274 D280 K281	K249-L278 HydrophobicContact CB-CD2 3.87Å; K249-L278 HydrophobicContact CG-CD2 3.67Å; L252-L278 HydrophobicContact CB-CD1 4.46Å; L252-L278 HydrophobicContact CB-CD2 4.45Å; L252-L278 HydrophobicContact CD2-CD1 4.11Å; L252-L278 HydrophobicContact CD2-CD2 3.88Å; L252-L278 HydrophobicContact CD2-CG 4.01Å; L252-L278 HydrophobicContact CG-CD1 4.1Å; L252-L278 HydrophobicContact CG-CD2 4.46Å; N253-L278 VanDerWaalsContact OD1-CD1 3.28Å; N253-L278 WeakPolarHBondContact OD1-CD1 3.37Å; L256-L278 HydrophobicContact CD1-CD1 3.53Å; S274-L278 CarbonylContact O-C 3.58Å; S274-L278 WeakPolarHBondContact O-CA 3.44Å; S274-L278 VanDerWaalsContact O-CB 3.29Å; S274-L278 WeakPolarHBondContact O-CB 3.48Å; S274-L278 PolarHBondContact O-N 3.39Å; S274-L278 VanDerWaalsContact O-N 3.11Å; L278-D280 PolarHBondContact O-N 3.47Å; L278-K281 PolarHBondContact O-N 3.31Å
279	A	56.3	Low	60.1	Low	65 Å²	65	92.3 Å²	92.3	54%	0.537	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-4.4	-176.6	0	0	0	0	0	115.6	S274 T275 K281	S274-A279 PolarHBondContact O-N 2.94Å; T275-A279 WeakPolarHBondContact O-CB 3.21Å; A279-K281 PolarHBondContact O-N 2.86Å
280	D	53.2	Low	57.7	Low	125 Å²	125	94.8 Å²	94.8	67%	0.668	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	3	168	-81.5	-17.9	0	0	0	113.8	K249 L278 Q282	K249-D280 IonicContact NZ-OD2 3.6Å; K249-D280 PolarHBondContact NZ-OD2 3.11Å; L278-D280 PolarHBondContact O-N 3.47Å; D280-Q282 PolarHBondContact O-N 3.47Å
281	K	46.5	Very low	55.2	Low	104 Å²	104	99.2 Å²	99.2	45%	0.452	54%	0.535	S	S	.	.	S	Bend	trans	-64.4	129.5	171	-77.3	-172.1	-176	175.6	0	109.3	N253 L278 A279 N283	N253-K281 WeakPolarHBondContact ND2-CE 3.48Å; N253-K281 WeakPolarHBondContact OD1-CE 3.29Å; N253-K281 PolarHBondContact OD1-NZ 3.48Å; L278-K281 PolarHBondContact O-N 3.31Å; A279-K281 PolarHBondContact O-N 2.86Å; K281-N283 PolarHBondContact O-N 2.97Å
282	Q	43.7	Very low	52.9	Low	135 Å²	135	102.6 Å²	102.6	63%	0.631	56%	0.556	S	S	*	*	S	Bend	trans	-55.5	24	165.1	-74	168.6	-32.3	0	0	114.9	D280	D280-Q282 PolarHBondContact O-N 3.47Å
283	N	36.2	Very low	50.6	Low	129 Å²	129	106.1 Å²	106.1	69%	0.69	57%	0.568	S	S	*	*	S	Bend	trans	-132.4	119.7	177.4	-87.9	-21.4	0	0	0	111.7	K281	K281-N283 PolarHBondContact O-N 2.97Å
284	E	38.1	Very low	48.2	Very low	114 Å²	114	112.8 Å²	112.8	53%	0.533	60%	0.599	S	S	.	*			trans	48.9	77.9	152.1	-60.2	-172.8	176.8	0	0	115.6	E286 R495	E284-E286 VanDerWaalsContact C-N 3.29Å; E284-E286 PolarHBondContact O-N 3.17Å; E284-R495 IonicContact OE1-CZ 3.59Å; E284-R495 VanDerWaalsContact OE1-CZ 3.31Å; E284-R495 IonicContact OE1-NE 2.66Å; E284-R495 PolarHBondContact OE1-NE 3.36Å; E284-R495 IonicContact OE1-NH2 3.3Å; E284-R495 PolarHBondContact OE1-NH2 3.49Å
285	V	36.1	Very low	46.1	Very low	106 Å²	106	123.7 Å²	123.7	64%	0.642	64%	0.635	S	S	*	*			trans	-61.9	99.4	153.1	-175.6	0	0	0	0	106.7	I287 Q498	V285-I287 HydrophobicContact CB-CG1 4.34Å; V285-I287 HydrophobicContact CG1-CG1 3.63Å; V285-I287 PolarHBondContact O-N 3.03Å; V285-Q498 PolarHBondContact O-NE2 2.67Å
286	E	32.8	Very low	43.9	Very low	158 Å²	158	127.5 Å²	127.5	74%	0.738	65%	0.646	S	S	*	*			trans	-69.8	80.3	167	-142.6	-173.7	-176	0	0	108.3	E284 P288	E284-E286 VanDerWaalsContact C-N 3.29Å; E284-E286 PolarHBondContact O-N 3.17Å; E286-P288 WeakPolarHBondContact O-CD 3.23Å
287	I	36.8	Very low	41.7	Very low	91 Å²	91	133.7 Å²	133.7	47%	0.467	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-61.3	126.3	167.6	-55.6	176	0	0	0	105.7	V285 S289 K494	V285-I287 HydrophobicContact CB-CG1 4.34Å; V285-I287 HydrophobicContact CG1-CG1 3.63Å; V285-I287 PolarHBondContact O-N 3.03Å; I287-S289 PolarHBondContact O-N 2.95Å; I287-K494 VanDerWaalsContact O-CE 3.3Å; I287-K494 WeakPolarHBondContact O-CE 3.28Å; I287-K494 PolarHBondContact O-NZ 2.64Å
288	P	27.9	Very low	39.7	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-53.3	127.9	172.9	-22.4	31.7	0	0	0	108.4	E286	E286-P288 WeakPolarHBondContact O-CD 3.23Å
289	S	27.4	Very low	38	Very low	74 Å²	74	140.6 Å²	140.6	52%	0.517	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-55.3	138	174.2	-57.5	0	0	0	0	108.4	I287 T291	I287-S289 PolarHBondContact O-N 2.95Å; S289-T291 VanDerWaalsContact C-N 3.3Å; S289-T291 PolarHBondContact O-N 2.98Å
290	P	33.9	Very low	37.2	Very low	129 Å²	129	142 Å²	142	84%	0.838	72%	0.715	S	S	*	*			trans	-65.8	99.9	171.8	27.2	-29.7	0	0	0	106.4	L292	P290-L292 PolarHBondContact O-N 2.82Å
291	T	32.2	Very low	36.7	Very low	104 Å²	104	143.5 Å²	143.5	64%	0.638	72%	0.718	S	S	*	*			trans	-60.9	130.8	158.5	41.5	0	0	0	0	105.6	S289 R293	S289-T291 VanDerWaalsContact C-N 3.3Å; S289-T291 PolarHBondContact O-N 2.98Å; T291-R293 PolarHBondContact O-N 3.06Å
292	L	37.5	Very low	37	Very low	187 Å²	187	140 Å²	140	98%	0.979	70%	0.704	S	S	*	*	S	Bend	trans	-56.6	80.9	166.9	-77.6	158.5	0	0	0	108.4	P290	P290-L292 PolarHBondContact O-N 2.82Å
293	R	36.3	Very low	36.9	Very low	217 Å²	217	137.3 Å²	137.3	82%	0.819	70%	0.7	S	S	*	*			trans	-132.8	114.4	171.7	-72.3	-165.6	178.2	-161.8	1.4	107.2	T291	T291-R293 PolarHBondContact O-N 3.06Å
294	E	35	Very low	37.4	Very low	182 Å²	182	133.2 Å²	133.2	85%	0.85	69%	0.689	S	S	*	*			trans	24.8	128.7	168.9	-72.1	176.5	149.6	0	0	119.2	E296	E294-E296 PolarHBondContact O-N 3.1Å
295	R	38.4	Very low	37.8	Very low	259 Å²	259	129.4 Å²	129.4	98%	0.977	67%	0.673	S	S	*	*			trans	-52.8	71.1	175.9	-134.8	178.6	-168.1	170.1	4.2	112.5
296	E	36	Very low	38.3	Very low	178 Å²	178	131.9 Å²	131.9	83%	0.832	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-73.3	132.1	163.9	-71.4	-169.3	162.2	0	0	108.6	E294	E294-E296 PolarHBondContact O-N 3.1Å
297	K	37.7	Very low	38.7	Very low	201 Å²	201	133.3 Å²	133.3	87%	0.874	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59.6	128.4	-177.4	-72.8	177.3	178.1	177.4	0	109.2	M299	K297-M299 PolarHBondContact O-N 2.97Å
298	P	38.2	Very low	39.1	Very low	84 Å²	84	131.9 Å²	131.9	55%	0.545	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-63.2	137	178.3	24.4	-31.2	0	0	0	110.5	C300	P298-C300 PolarHBondContact O-N 3.04Å
299	M	38.2	Very low	39.7	Very low	202 Å²	202	133 Å²	133	100%	0.995	68%	0.677	S	S	*	*	S	Bend	trans	-66.6	-18.9	-177.5	-157	-180	-57.4	0	0	112.9	K297	K297-M299 PolarHBondContact O-N 2.97Å
300	C	39	Very low	40.5	Very low	94 Å²	94	134.6 Å²	134.6	64%	0.635	68%	0.676	S	S	*	*			trans	-120.2	113.6	169.2	55.5	0	0	0	0	109.4	P298	P298-C300 PolarHBondContact O-N 3.04Å
301	H	41.9	Very low	40.5	Very low	158 Å²	158	132.7 Å²	132.7	73%	0.731	67%	0.666	S	S	*	*			trans	-95.1	110.5	168	-172.3	63.3	0	0	0	106.7	S303	H301-S303 VanDerWaalsContact C-N 3.34Å; H301-S303 PolarHBondContact O-N 2.92Å
302	I	53	Low	40.9	Very low	31 Å²	31	132.5 Å²	132.5	16%	0.159	67%	0.669	C	S	.	*			trans	-67.5	100.8	166.6	-58.3	174.1	0	0	0	105.8	G304 V305 A475 V476 K479	I302-G304 PolarHBondContact O-N 3.38Å; I302-V305 HydrophobicContact CB-CG2 4.37Å; I302-V305 HydrophobicContact CG2-CG2 4.26Å; I302-A475 HydrophobicContact CD1-CB 3.99Å; I302-V476 HydrophobicContact CG2-CG2 4.36Å; I302-K479 HydrophobicContact CD1-CB 4.37Å; I302-K479 HydrophobicContact CD1-CG 4.47Å
303	S	42.8	Very low	41.1	Very low	77 Å²	77	128 Å²	128	54%	0.538	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	115.9	170.3	34.9	0	0	0	0	107.9	H301	H301-S303 VanDerWaalsContact C-N 3.34Å; H301-S303 PolarHBondContact O-N 2.92Å
304	G	46.5	Very low	41.6	Very low	44 Å²	44	121 Å²	121	45%	0.454	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	128.3	-11.4	175.7	0	0	0	0	0	116.1	I302 K306	I302-G304 PolarHBondContact O-N 3.38Å; G304-K306 VanDerWaalsContact C-N 3.27Å; G304-K306 PolarHBondContact O-N 3.42Å
305	V	46.9	Very low	41.9	Very low	34 Å²	34	116.6 Å²	116.6	21%	0.206	62%	0.621	C	S	.	*			trans	-67	93.1	167.1	-175.6	0	0	0	0	107.5	I302 K307 K479 L480	I302-V305 HydrophobicContact CB-CG2 4.37Å; I302-V305 HydrophobicContact CG2-CG2 4.26Å; V305-K307 PolarHBondContact O-N 3.43Å; V305-K307 VanDerWaalsContact O-N 3.12Å; V305-K479 HydrophobicContact CG2-CG 4.31Å; V305-L480 HydrophobicContact CG1-CD2 3.99Å
306	K	45.3	Very low	42.1	Very low	157 Å²	157	112.3 Å²	112.3	68%	0.683	62%	0.617	S	S	*	*			trans	-61.8	119.3	178	-75.5	176.7	-176	164.9	0	106.4	G304 L308	G304-K306 VanDerWaalsContact C-N 3.27Å; G304-K306 PolarHBondContact O-N 3.42Å; K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 3.11Å
307	K	41.6	Very low	42.9	Very low	188 Å²	188	106.1 Å²	106.1	82%	0.817	59%	0.594	S	S	*	*			trans	-64.6	94.3	170.4	-162.5	180	-173.9	-173.3	0	107.2	V305 T309	V305-K307 PolarHBondContact O-N 3.43Å; V305-K307 VanDerWaalsContact O-N 3.12Å; K307-T309 PolarHBondContact O-N 3.16Å
308	L	45.9	Very low	44.2	Very low	62 Å²	62	103.3 Å²	103.3	33%	0.325	59%	0.594	S	S	.	*			trans	-66.3	128.6	-175.2	-78.4	158.3	0	0	0	109.1	K306 H310 T388 D391	K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 3.11Å; L308-H310 PolarHBondContact O-N 3.43Å; L308-T388 HydrophobicContact CD1-CG2 3.8Å; L308-D391 HydrophobicContact CD1-CB 3.97Å; L308-D391 HydrophobicContact CD2-CB 4.22Å; L308-D391 WeakPolarHBondContact CD2-OD2 3.24Å
309	T	40.8	Very low	45.9	Very low	130 Å²	130	102.8 Å²	102.8	80%	0.798	59%	0.586	S	S	*	*			trans	-78.1	56.3	167.8	52	0	0	0	0	109.4	K307 S311	K307-T309 PolarHBondContact O-N 3.16Å; T309-S311 PolarHBondContact O-N 3.21Å
310	H	44	Very low	48	Very low	108 Å²	108	93.9 Å²	93.9	50%	0.5	54%	0.543	S	S	.	.			trans	-84	61	162.9	-70	-53.6	0	0	0	107.8	L308 S312 D391	L308-H310 PolarHBondContact O-N 3.43Å; H310-S312 PolarHBondContact O-N 3.03Å; H310-D391 IonicContact CE1-OD2 3.82Å; H310-D391 IonicContact NE2-OD2 2.97Å; H310-D391 PolarHBondContact NE2-OD2 3.16Å
311	S	34	Very low	50.2	Low	89 Å²	89	96 Å²	96	62%	0.622	54%	0.537	S	S	*	.			trans	-63.6	106	166	52.1	0	0	0	0	107.7	T309 S313	T309-S311 PolarHBondContact O-N 3.21Å; S311-S313 PolarHBondContact O-N 3.31Å
312	S	40.8	Very low	52.4	Low	100 Å²	100	89.3 Å²	89.3	70%	0.699	51%	0.507	S	S	*	.	S	Bend	trans	52.1	47	141.9	61.8	0	0	0	0	116.4	H310	H310-S312 PolarHBondContact O-N 3.03Å
313	S	40.7	Very low	54.1	Low	94 Å²	94	88 Å²	88	66%	0.657	50%	0.5	S	S	*	.	S	Bend	trans	-105.2	-4.8	175.7	-170.1	0	0	0	0	114.7	S311	S311-S313 PolarHBondContact O-N 3.31Å
314	L	47.2	Very low	56.4	Low	70 Å²	70	84.4 Å²	84.4	37%	0.366	48%	0.475	S	S	.	.	S	Bend	trans	-100.1	1.3	176.9	-83.2	158	0	0	0	113.6	N316	L314-N316 PolarHBondContact O-N 2.78Å
315	S	41.6	Very low	58.5	Low	89 Å²	89	87.8 Å²	87.8	62%	0.622	48%	0.477	S	S	*	.	S	Bend	trans	-73.8	3.8	-171.8	59	0	0	0	0	115.4
316	N	41.9	Very low	60.6	Low	168 Å²	168	87 Å²	87	90%	0.898	47%	0.472	S	S	*	.	S	Bend	trans	-160.5	12.4	178.3	-90.7	-30.3	0	0	0	116.7	L314	L314-N316 PolarHBondContact O-N 2.78Å
317	S	52.4	Low	62.7	Low	49 Å²	49	88.4 Å²	88.4	34%	0.343	48%	0.482	S	S	.	.	S	Bend	trans	-110.5	135.3	176.4	65.8	0	0	0	0	111.4	L319 K325	S317-L319 PolarHBondContact O-N 2.96Å; S317-K325 PolarHBondContact OG-NZ 3.48Å
318	T	65.6	Low	65.1	Low	142 Å²	142	83.9 Å²	83.9	87%	0.871	46%	0.463	S	S	*	.			trans	-42.3	128.8	169.8	-24.7	0	0	0	0	110
319	L	73.2	Confident	67.3	Low	72 Å²	72	84.4 Å²	84.4	38%	0.377	46%	0.464	S	S	.	.			trans	-60.6	130.2	-176.8	-159.5	124.5	0	0	0	109.1	S317 F363 V379	S317-L319 PolarHBondContact O-N 2.96Å; L319-F363 HydrophobicContact CD2-CE2 3.88Å; L319-F363 HydrophobicContact CD2-CZ 3.68Å; L319-V379 HydrophobicContact CD1-CB 4.18Å; L319-V379 HydrophobicContact CD1-CG1 3.63Å; L319-V379 HydrophobicContact CD2-CG1 3.52Å; L319-V379 HydrophobicContact CG-CG1 4.23Å
320	P	82.7	Confident	69.9	Low	15 Å²	15	84.4 Å²	84.4	10%	0.097	46%	0.455	C	S	.	.			trans	-60.7	143.6	-177	-20	31	0	0	0	111.2	F322 G323 V324 K325	P320-F322 PolarHBondContact O-N 3.21Å; P320-F322 VanDerWaalsContact O-N 3.1Å; P320-G323 PolarHBondContact O-N 3.08Å; P320-G323 VanDerWaalsContact O-N 3.08Å; P320-V324 WeakPolarHBondContact CB-O 3.41Å; P320-K325 HydrophobicContact CB-CG 4.36Å; P320-K325 HydrophobicContact CG-CG 3.59Å
321	R	85.5	Confident	72.3	Confident	138 Å²	138	80 Å²	80	52%	0.521	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.3	-174.5	179.7	177	171.9	-170.9	-4.8	113.2	F363	R321-F363 WeakPolarHBondContact O-CE1 3.45Å
322	F	89.1	Confident	75.2	Confident	19 Å²	19	75.7 Å²	75.7	8%	0.083	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	21.6	-177	-55.4	-69	0	0	0	113	P320 V324 E329 L332 A333 L336	P320-F322 PolarHBondContact O-N 3.21Å; P320-F322 VanDerWaalsContact O-N 3.1Å; F322-V324 HydrophobicContact CB-CG2 4.34Å; F322-V324 PolarHBondContact O-N 2.94Å; F322-E329 HydrophobicContact CE2-CB 4.29Å; F322-E329 WeakPolarHBondContact CE2-O 3.37Å; F322-L332 HydrophobicContact CB-CD2 4.04Å; F322-L332 HydrophobicContact CD2-CD2 3.86Å; F322-L332 HydrophobicContact CD2-CG 4.29Å; F322-L332 HydrophobicContact CG-CD2 4.09Å; F322-L332 HydrophobicContact CG-CG 4.5Å; F322-A333 HydrophobicContact CE2-CB 4.26Å; F322-A333 HydrophobicContact CZ-CB 3.65Å; F322-L336 HydrophobicContact CD1-CD1 3.42Å; F322-L336 VanDerWaalsContact CD1-CD1 3.42Å; F322-L336 HydrophobicContact CE1-CD1 3.73Å; F322-L336 HydrophobicContact CG-CD1 4.05Å
323	G	87.6	Confident	77.8	Confident	2 Å²	2	71.6 Å²	71.6	2%	0.021	38%	0.379	C	S	.	.	S	Bend	trans	72.8	-11.6	-176.8	0	0	0	0	0	114.8	P320 M387	P320-G323 PolarHBondContact O-N 3.08Å; P320-G323 VanDerWaalsContact O-N 3.08Å; G323-M387 WeakPolarHBondContact O-CE 3.21Å
324	V	91.1	Very high	80.4	Confident	3 Å²	3	75 Å²	75	2%	0.018	38%	0.377	C	S	.	.	S	Bend	trans	-120.7	144.2	178.6	-62.4	0	0	0	0	111.2	P320 F322 L332 R356 C360	P320-V324 WeakPolarHBondContact CB-O 3.41Å; F322-V324 HydrophobicContact CB-CG2 4.34Å; F322-V324 PolarHBondContact O-N 2.94Å; V324-L332 HydrophobicContact CG2-CD2 4.09Å; V324-R356 HydrophobicContact CG1-CB 3.78Å; V324-C360 HydrophobicContact CG1-CB 4.27Å; V324-C360 HydrophobicContact CG2-CB 4.18Å
325	K	89.8	Confident	82.7	Confident	114 Å²	114	72.9 Å²	72.9	50%	0.496	37%	0.366	S	S	.	.			trans	-85	120.5	174.3	-67.8	-180	179.7	179.6	0	109	S317 P320 N354	S317-K325 PolarHBondContact OG-NZ 3.48Å; P320-K325 HydrophobicContact CB-CG 4.36Å; P320-K325 HydrophobicContact CG-CG 3.59Å; K325-N354 PolarHBondContact O-ND2 2.83Å
326	T	90.8	Very high	85.3	Confident	17 Å²	17	69.6 Å²	69.6	10%	0.104	34%	0.341	C	S	.	.			trans	-148	150.4	178.1	-179.3	0	0	0	0	111.6	H328 E329 L332 F352	T326-H328 VanDerWaalsContact C-N 3.28Å; T326-H328 PolarHBondContact OG1-N 3.4Å; T326-E329 HydrophobicContact CG2-CG 3.93Å; T326-E329 WeakPolarHBondContact O-CG 3.18Å; T326-L332 HydrophobicContact CG2-CD2 3.98Å; T326-F352 VanDerWaalsContact CB-O 3.25Å; T326-F352 WeakPolarHBondContact CB-O 3.35Å; T326-F352 WeakPolarHBondContact CG2-O 3.46Å; T326-F352 PolarHBondContact OG1-O 3.39Å
327	E	90.5	Very high	87.9	Confident	188 Å²	188	67.6 Å²	67.6	88%	0.879	33%	0.33	S	S	*	.	S	Bend	trans	-81.7	-13	170.8	-60.7	-175.2	172.3	0	0	111.6
328	H	92.5	Very high	90	Very high	93 Å²	93	68.1 Å²	68.1	43%	0.431	33%	0.329	S	S	.	.			trans	-99.9	33.1	-176	-59.3	-55.4	0	0	0	113.3	T326 E330 A331 L332 F352	T326-H328 VanDerWaalsContact C-N 3.28Å; T326-H328 PolarHBondContact OG1-N 3.4Å; H328-E330 VanDerWaalsContact C-N 3.31Å; H328-E330 PolarHBondContact O-N 3.3Å; H328-A331 HydrophobicContact CB-CB 4.42Å; H328-A331 PolarHBondContact O-N 2.88Å; H328-A331 VanDerWaalsContact O-N 3.09Å; H328-L332 WeakPolarHBondContact O-CB 3.39Å; H328-L332 PolarHBondContact O-N 3.29Å; H328-F352 HydrophobicContact CB-CB 4.08Å; H328-F352 HydrophobicContact CB-CD1 4.02Å; H328-F352 HydrophobicContact CB-CG 4.36Å
329	E	92.3	Very high	91.5	Very high	72 Å²	72	61.9 Å²	61.9	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-54.6	-41.2	-174	-66.4	-164.9	159.9	0	0	113.6	F322 T326 L332 A333	F322-E329 HydrophobicContact CE2-CB 4.29Å; F322-E329 WeakPolarHBondContact CE2-O 3.37Å; T326-E329 HydrophobicContact CG2-CG 3.93Å; T326-E329 WeakPolarHBondContact O-CG 3.18Å; E329-L332 PolarHBondContact O-N 2.96Å; E329-A333 WeakPolarHBondContact O-CB 3.47Å; E329-A333 PolarHBondContact O-N 3.5Å
330	E	93.9	Very high	92.7	Very high	131 Å²	131	62.1 Å²	62.1	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-73.6	-27.9	-179.5	-63.8	-60.4	153.6	0	0	113.6	H328 R334	H328-E330 VanDerWaalsContact C-N 3.31Å; H328-E330 PolarHBondContact O-N 3.3Å; E330-R334 WeakPolarHBondContact O-CG 3.49Å; E330-R334 PolarHBondContact O-N 3.48Å; E330-R334 PolarHBondContact O-NE 2.9Å; E330-R334 VanDerWaalsContact O-NE 3.1Å
331	A	94.8	Very high	93.4	Very high	14 Å²	14	67.1 Å²	67.1	12%	0.116	31%	0.312	C	S	.	.	H	α-helix	trans	-76.1	-42	173.2	0	0	0	0	0	110.3	H328 A333 R334 E335 F352	H328-A331 HydrophobicContact CB-CB 4.42Å; H328-A331 PolarHBondContact O-N 2.88Å; H328-A331 VanDerWaalsContact O-N 3.09Å; A331-A333 PolarHBondContact O-N 3.32Å; A331-R334 PolarHBondContact O-N 3.46Å; A331-E335 PolarHBondContact O-N 3.08Å; A331-F352 HydrophobicContact CB-CD1 4.02Å; A331-F352 HydrophobicContact CB-CD2 3.88Å; A331-F352 HydrophobicContact CB-CE1 4.02Å; A331-F352 HydrophobicContact CB-CE2 3.87Å; A331-F352 HydrophobicContact CB-CG 3.96Å; A331-F352 HydrophobicContact CB-CZ 3.96Å
332	L	95	Very high	94	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-43.4	174.7	-175.4	57.7	0	0	0	111.8	F322 V324 T326 H328 E329 R334 E335 L336 V349 F352	F322-L332 HydrophobicContact CB-CD2 4.04Å; F322-L332 HydrophobicContact CD2-CD2 3.86Å; F322-L332 HydrophobicContact CD2-CG 4.29Å; F322-L332 HydrophobicContact CG-CD2 4.09Å; F322-L332 HydrophobicContact CG-CG 4.5Å; V324-L332 HydrophobicContact CG2-CD2 4.09Å; T326-L332 HydrophobicContact CG2-CD2 3.98Å; H328-L332 WeakPolarHBondContact O-CB 3.39Å; H328-L332 PolarHBondContact O-N 3.29Å; E329-L332 PolarHBondContact O-N 2.96Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.1Å; L332-E335 PolarHBondContact O-N 3.42Å; L332-L336 HydrophobicContact CD1-CD1 4.31Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.47Å; L332-L336 WeakPolarHBondContact O-CG 3.33Å; L332-L336 PolarHBondContact O-N 2.72Å; L332-V349 HydrophobicContact CD1-CG1 4.06Å; L332-F352 HydrophobicContact CB-CB 3.96Å; L332-F352 HydrophobicContact CD1-CB 4.18Å
333	A	94.8	Very high	94.1	Very high	13 Å²	13	63 Å²	63	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-44	175.9	0	0	0	0	0	112.3	F322 E329 A331 L336 D337	F322-A333 HydrophobicContact CE2-CB 4.26Å; F322-A333 HydrophobicContact CZ-CB 3.65Å; E329-A333 WeakPolarHBondContact O-CB 3.47Å; E329-A333 PolarHBondContact O-N 3.5Å; A331-A333 PolarHBondContact O-N 3.32Å; A333-L336 PolarHBondContact O-N 3.46Å; A333-D337 PolarHBondContact O-N 3.07Å; A333-D337 VanDerWaalsContact O-N 3.15Å
334	R	95.4	Very high	94.5	Very high	166 Å²	166	63 Å²	63	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-66.3	-37.8	-179.9	-75.1	-179.2	-74	153.9	-2.8	113.1	E330 A331 L332 L336 D337	E330-R334 WeakPolarHBondContact O-CG 3.49Å; E330-R334 PolarHBondContact O-N 3.48Å; E330-R334 PolarHBondContact O-NE 2.9Å; E330-R334 VanDerWaalsContact O-NE 3.1Å; A331-R334 PolarHBondContact O-N 3.46Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.1Å; R334-L336 VanDerWaalsContact C-N 3.34Å; R334-D337 PolarHBondContact O-N 3.28Å
335	E	95.8	Very high	94.8	Very high	26 Å²	26	64 Å²	64	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-71.6	-33	175.3	-61.9	-70	152.1	0	0	111	A331 L332 D337 D338 L344 R348 V349 F352	A331-E335 PolarHBondContact O-N 3.08Å; L332-E335 PolarHBondContact O-N 3.42Å; E335-D337 VanDerWaalsContact C-N 3.28Å; E335-D337 PolarHBondContact O-N 3.11Å; E335-D338 PolarHBondContact O-N 3.1Å; E335-L344 WeakPolarHBondContact O-CD1 3.32Å; E335-R348 VanDerWaalsContact CD-CD 3.47Å; E335-R348 HydrophobicContact CG-CB 4.11Å; E335-R348 WeakPolarHBondContact OE1-CD 3.44Å; E335-R348 IonicContact OE1-CZ 2.66Å; E335-R348 IonicContact OE1-NE 2.8Å; E335-R348 IonicContact OE1-NH1 2.88Å; E335-R348 PolarHBondContact OE1-NH1 2.67Å; E335-V349 HydrophobicContact CB-CG2 4.16Å; E335-F352 HydrophobicContact CG-CD2 3.94Å; E335-F352 HydrophobicContact CG-CE2 3.83Å
336	L	96.2	Very high	95.2	Very high	20 Å²	20	58.5 Å²	58.5	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-74.2	-12	176.4	-67.6	175.9	0	0	0	114.1	F322 L332 A333 R334 D338 L339 I361 A364	F322-L336 HydrophobicContact CD1-CD1 3.42Å; F322-L336 VanDerWaalsContact CD1-CD1 3.42Å; F322-L336 HydrophobicContact CE1-CD1 3.73Å; F322-L336 HydrophobicContact CG-CD1 4.05Å; L332-L336 HydrophobicContact CD1-CD1 4.31Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.47Å; L332-L336 WeakPolarHBondContact O-CG 3.33Å; L332-L336 PolarHBondContact O-N 2.72Å; A333-L336 PolarHBondContact O-N 3.46Å; R334-L336 VanDerWaalsContact C-N 3.34Å; L336-D338 PolarHBondContact O-N 3.29Å; L336-L339 HydrophobicContact CD2-CD1 4.37Å; L336-L339 WeakPolarHBondContact O-CB 3.44Å; L336-L339 PolarHBondContact O-N 3.43Å; L336-I361 HydrophobicContact CD2-CD1 3.96Å; L336-A364 HydrophobicContact CD1-CB 4.46Å; L336-A364 HydrophobicContact CD2-CB 4.25Å
337	D	96.1	Very high	95.5	Very high	126 Å²	126	58.1 Å²	58.1	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.5	168.9	-70.8	-28.2	0	0	0	111.6	A333 R334 E335	A333-D337 PolarHBondContact O-N 3.07Å; A333-D337 VanDerWaalsContact O-N 3.15Å; R334-D337 PolarHBondContact O-N 3.28Å; E335-D337 VanDerWaalsContact C-N 3.28Å; E335-D337 PolarHBondContact O-N 3.11Å
338	D	96.9	Very high	95.9	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	12.2	175.8	-67.4	-28.7	0	0	0	113	E335 L336 N340 K341 L344	E335-D338 PolarHBondContact O-N 3.1Å; L336-D338 PolarHBondContact O-N 3.29Å; D338-N340 PolarHBondContact O-N 2.76Å; D338-N340 VanDerWaalsContact O-N 3.1Å; D338-K341 HydrophobicContact CB-CB 4.46Å; D338-K341 HydrophobicContact CB-CD 4.32Å; D338-K341 PolarHBondContact O-N 2.96Å; D338-K341 WeakPolarHBondContact OD1-CD 3.12Å; D338-K341 WeakPolarHBondContact OD1-CE 3.47Å; D338-K341 IonicContact OD1-NZ 2.7Å; D338-K341 PolarHBondContact OD1-NZ 3.05Å; D338-L344 HydrophobicContact CB-CD1 4.42Å
339	L	97.9	Very high	96.1	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.5	-178.1	-175.9	69.2	0	0	0	113.5	L336 K341 I361 A364 I365 E368 Q410	L336-L339 HydrophobicContact CD2-CD1 4.37Å; L336-L339 WeakPolarHBondContact O-CB 3.44Å; L336-L339 PolarHBondContact O-N 3.43Å; L339-K341 VanDerWaalsContact C-N 3.33Å; L339-I361 HydrophobicContact CD1-CD1 4.02Å; L339-A364 HydrophobicContact CD1-CB 4.2Å; L339-A364 HydrophobicContact CD2-CB 3.84Å; L339-I365 HydrophobicContact CD1-CG1 4.01Å; L339-I365 HydrophobicContact CD2-CG1 4.36Å; L339-I365 HydrophobicContact CG-CG1 4.43Å; L339-E368 HydrophobicContact CD2-CB 4.18Å; L339-E368 HydrophobicContact CD2-CG 4.45Å; L339-Q410 HydrophobicContact CD1-CG 4.39Å; L339-Q410 PolarHBondContact O-NE2 2.95Å
340	N	97.9	Very high	96.4	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7.1	-176.3	-60	-17.7	0	0	0	112.8	D338 E368 H413	D338-N340 PolarHBondContact O-N 2.76Å; D338-N340 VanDerWaalsContact O-N 3.1Å; N340-E368 PolarHBondContact ND2-OE1 3.29Å; N340-H413 PolarHBondContact OD1-NE2 3.29Å
341	K	97.4	Very high	96.5	Very high	119 Å²	119	47.3 Å²	47.3	52%	0.517	23%	0.225	S	C	.	.	S	Bend	trans	-110.2	146.5	-176.3	-60.4	-177.1	-167.5	158.4	0	111.7	D338 L339 Q410	D338-K341 HydrophobicContact CB-CB 4.46Å; D338-K341 HydrophobicContact CB-CD 4.32Å; D338-K341 PolarHBondContact O-N 2.96Å; D338-K341 WeakPolarHBondContact OD1-CD 3.12Å; D338-K341 WeakPolarHBondContact OD1-CE 3.47Å; D338-K341 IonicContact OD1-NZ 2.7Å; D338-K341 PolarHBondContact OD1-NZ 3.05Å; L339-K341 VanDerWaalsContact C-N 3.33Å; K341-Q410 PolarHBondContact O-NE2 3.28Å
342	W	97.6	Very high	96.6	Very high	53 Å²	53	48.8 Å²	48.8	20%	0.201	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	138	168.1	-158.8	-107	0	0	0	109.9	V414 L415 T563 K564 W621 I635	W342-V414 HydrophobicContact CE3-CB 4.05Å; W342-V414 HydrophobicContact CE3-CG1 3.88Å; W342-V414 HydrophobicContact CZ3-CB 4.4Å; W342-L415 HydrophobicContact CH2-CD2 4.38Å; W342-L415 HydrophobicContact CH2-CG 4.41Å; W342-L415 HydrophobicContact CZ3-CD2 4.02Å; W342-L415 HydrophobicContact CZ3-CG 3.98Å; W342-T563 VanDerWaalsContact CZ2-OG1 3.27Å; W342-T563 WeakPolarHBondContact CZ2-OG1 3.34Å; W342-T563 PolarHBondContact NE1-O 3.33Å; W342-T563 VanDerWaalsContact NE1-O 3.16Å; W342-T563 PolarHBondContact NE1-OG1 3.4Å; W342-K564 HydrophobicContact CZ2-CD 4.3Å; W342-W621 AromaticContact CH2-CH2 3.53Å; W342-W621 HydrophobicContact CH2-CH2 3.53Å; W342-W621 AromaticContact CH2-CZ2 3.99Å; W342-W621 HydrophobicContact CH2-CZ2 3.99Å; W342-W621 AromaticContact CZ2-CH2 3.65Å; W342-W621 HydrophobicContact CZ2-CH2 3.65Å; W342-W621 AromaticContact CZ2-CZ2 3.9Å; W342-W621 HydrophobicContact CZ2-CZ2 3.9Å; W342-W621 HydrophobicContact CZ3-CH2 4.5Å; W342-I635 HydrophobicContact CD2-CD1 3.91Å; W342-I635 HydrophobicContact CD2-CG1 4.3Å; W342-I635 HydrophobicContact CE3-CD1 4.23Å; W342-I635 HydrophobicContact CG-CD1 4.25Å; W342-I635 HydrophobicContact CG-CG1 4.19Å; W342-I635 HydrophobicContact CZ2-CD1 4.29Å; W342-I635 HydrophobicContact CZ2-CG2 4.37Å
343	G	92	Very high	96.6	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	18	178.8	0	0	0	0	0	115.7	N345	G343-N345 PolarHBondContact O-N 2.96Å
344	L	96.6	Very high	96.6	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	25%	0.249	C	C	.	.			trans	-49.6	130.8	165.5	172.6	136.6	0	0	0	110	E335 D338 I346 V349 I361 Q410	E335-L344 WeakPolarHBondContact O-CD1 3.32Å; D338-L344 HydrophobicContact CB-CD1 4.42Å; L344-I346 VanDerWaalsContact C-N 3.35Å; L344-I346 HydrophobicContact CD2-CB 4.21Å; L344-I346 HydrophobicContact CD2-CD1 3.77Å; L344-I346 PolarHBondContact O-N 3.42Å; L344-V349 HydrophobicContact CD2-CG2 4.05Å; L344-I361 HydrophobicContact CD2-CD1 4.22Å; L344-Q410 HydrophobicContact CD2-CG 4.29Å
345	N	96.6	Very high	96.6	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.118	25%	0.245	C	C	.	.			trans	-79.5	86.3	-179	-168	-34.7	0	0	0	110.6	G343 F347 R348 V349 H567	G343-N345 PolarHBondContact O-N 2.96Å; N345-F347 PolarHBondContact O-N 2.95Å; N345-F347 WeakPolarHBondContact OD1-CB 3.1Å; N345-F347 PolarHBondContact OD1-N 3.1Å; N345-R348 HydrophobicContact CB-CB 4.42Å; N345-R348 HydrophobicContact CB-CG 4.39Å; N345-R348 PolarHBondContact O-N 3.36Å; N345-R348 VanDerWaalsContact O-N 3.12Å; N345-R348 PolarHBondContact OD1-N 3.02Å; N345-V349 PolarHBondContact O-N 3.05Å; N345-H567 PolarHBondContact ND2-NE2 3.33Å
346	I	98	Very high	96.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-26.7	-177.6	-160.3	68.4	0	0	0	113.1	L344 V349 A350 I361 L403 A406 D407 W572	L344-I346 VanDerWaalsContact C-N 3.35Å; L344-I346 HydrophobicContact CD2-CB 4.21Å; L344-I346 HydrophobicContact CD2-CD1 3.77Å; L344-I346 PolarHBondContact O-N 3.42Å; I346-V349 HydrophobicContact CD1-CB 4.43Å; I346-V349 PolarHBondContact O-N 2.91Å; I346-A350 PolarHBondContact O-N 3.42Å; I346-I361 HydrophobicContact CD1-CD1 4Å; I346-I361 HydrophobicContact CD1-CG1 3.63Å; I346-L403 HydrophobicContact CB-CD1 4.47Å; I346-L403 HydrophobicContact CG1-CD1 3.94Å; I346-L403 HydrophobicContact CG2-CD1 4.09Å; I346-L403 HydrophobicContact CG2-CG 4.4Å; I346-L403 WeakPolarHBondContact O-CD1 3.24Å; I346-A406 HydrophobicContact CD1-CB 3.84Å; I346-A406 HydrophobicContact CG1-CB 4.09Å; I346-D407 HydrophobicContact CB-CB 4.46Å; I346-D407 HydrophobicContact CG1-CB 4.27Å; I346-D407 HydrophobicContact CG2-CB 4.11Å; I346-W572 HydrophobicContact CG2-CZ2 3.79Å
347	F	98.1	Very high	96.7	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-42.9	175.6	-58.2	-77	0	0	0	111.5	N345 A350 E351 L403 V568 Q571 W572	N345-F347 PolarHBondContact O-N 2.95Å; N345-F347 WeakPolarHBondContact OD1-CB 3.1Å; N345-F347 PolarHBondContact OD1-N 3.1Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.16Å; F347-E351 WeakPolarHBondContact O-CG 3.33Å; F347-E351 PolarHBondContact O-N 2.88Å; F347-L403 HydrophobicContact CD1-CD2 3.51Å; F347-L403 HydrophobicContact CE1-CD2 3.48Å; F347-L403 VanDerWaalsContact CE1-CD2 3.48Å; F347-L403 HydrophobicContact CE1-CG 4.47Å; F347-V568 HydrophobicContact CD2-CG1 4.37Å; F347-V568 HydrophobicContact CE2-CB 4.44Å; F347-V568 HydrophobicContact CE2-CG1 3.77Å; F347-Q571 HydrophobicContact CD2-CB 4.41Å; F347-Q571 HydrophobicContact CE1-CB 4.06Å; F347-Q571 HydrophobicContact CE2-CB 3.69Å; F347-Q571 HydrophobicContact CE2-CG 4.43Å; F347-Q571 HydrophobicContact CZ-CB 3.51Å; F347-W572 HydrophobicContact CE1-CD2 4.46Å; F347-W572 HydrophobicContact CE1-CH2 4.37Å; F347-W572 HydrophobicContact CE1-CZ2 4.29Å; F347-W572 AromaticContact CZ-CD2 3.7Å; F347-W572 HydrophobicContact CZ-CD2 3.7Å; F347-W572 AromaticContact CZ-CE2 3.57Å; F347-W572 HydrophobicContact CZ-CE3 4.2Å; F347-W572 HydrophobicContact CZ-CG 4.07Å; F347-W572 HydrophobicContact CZ-CH2 4.37Å; F347-W572 AromaticContact CZ-CZ2 3.93Å; F347-W572 HydrophobicContact CZ-CZ2 3.93Å; F347-W572 AromaticContact CZ-NE1 3.94Å
348	R	97.4	Very high	96.8	Very high	119 Å²	119	44.9 Å²	44.9	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-67.5	-37.4	175.1	-72.7	-171.4	173.7	179.3	2.8	112.8	E335 N345 A350 E351 F352	E335-R348 VanDerWaalsContact CD-CD 3.47Å; E335-R348 HydrophobicContact CG-CB 4.11Å; E335-R348 WeakPolarHBondContact OE1-CD 3.44Å; E335-R348 IonicContact OE1-CZ 2.66Å; E335-R348 IonicContact OE1-NE 2.8Å; E335-R348 IonicContact OE1-NH1 2.88Å; E335-R348 PolarHBondContact OE1-NH1 2.67Å; N345-R348 HydrophobicContact CB-CB 4.42Å; N345-R348 HydrophobicContact CB-CG 4.39Å; N345-R348 PolarHBondContact O-N 3.36Å; N345-R348 VanDerWaalsContact O-N 3.12Å; N345-R348 PolarHBondContact OD1-N 3.02Å; R348-A350 PolarHBondContact O-N 3.37Å; R348-E351 PolarHBondContact O-N 3.42Å; R348-F352 HydrophobicContact CB-CD2 4.39Å; R348-F352 HydrophobicContact CB-CE2 4.08Å; R348-F352 VanDerWaalsContact O-CD2 3.26Å; R348-F352 WeakPolarHBondContact O-CD2 3.4Å; R348-F352 WeakPolarHBondContact O-CG 3.36Å; R348-F352 PolarHBondContact O-N 2.93Å
349	V	97.7	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-42.2	172.5	175	0	0	0	0	110.1	L332 E335 L344 N345 I346 F352 S353 P357 C360 I361	L332-V349 HydrophobicContact CD1-CG1 4.06Å; E335-V349 HydrophobicContact CB-CG2 4.16Å; L344-V349 HydrophobicContact CD2-CG2 4.05Å; N345-V349 PolarHBondContact O-N 3.05Å; I346-V349 HydrophobicContact CD1-CB 4.43Å; I346-V349 PolarHBondContact O-N 2.91Å; V349-F352 PolarHBondContact O-N 3.4Å; V349-S353 WeakPolarHBondContact O-CB 3.18Å; V349-S353 PolarHBondContact O-N 3Å; V349-S353 PolarHBondContact O-OG 2.83Å; V349-P357 HydrophobicContact CG1-CB 4.48Å; V349-C360 HydrophobicContact CG1-CB 4.34Å; V349-I361 HydrophobicContact CG1-CD1 4.15Å; V349-I361 HydrophobicContact CG1-CG1 4.17Å
350	A	97.3	Very high	96.9	Very high	6 Å²	6	41.8 Å²	41.8	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-45.4	175.4	0	0	0	0	0	112.6	I346 F347 R348 F352 S353 N355 P357 L403	I346-A350 PolarHBondContact O-N 3.42Å; F347-A350 WeakPolarHBondContact O-CB 3.39Å; F347-A350 PolarHBondContact O-N 3.16Å; R348-A350 PolarHBondContact O-N 3.37Å; A350-F352 PolarHBondContact O-N 2.99Å; A350-S353 WeakPolarHBondContact CA-OG 3.46Å; A350-S353 PolarHBondContact O-N 3.5Å; A350-S353 PolarHBondContact O-OG 2.97Å; A350-N355 WeakPolarHBondContact O-CA 3.36Å; A350-N355 PolarHBondContact O-N 3.47Å; A350-P357 HydrophobicContact CB-CB 3.93Å; A350-P357 HydrophobicContact CB-CG 3.89Å; A350-L403 HydrophobicContact CB-CD1 3.63Å
351	E	96.4	Very high	96.9	Very high	131 Å²	131	38.1 Å²	38.1	61%	0.612	18%	0.179	S	C	*	.	H	α-helix	trans	-58.2	-48.3	176.7	-70.6	174.7	-177.3	0	0	111.8	F347 R348 S353	F347-E351 WeakPolarHBondContact O-CG 3.33Å; F347-E351 PolarHBondContact O-N 2.88Å; R348-E351 PolarHBondContact O-N 3.42Å; E351-S353 PolarHBondContact O-N 3.33Å
352	F	97	Very high	97	Very high	45 Å²	45	32.5 Å²	32.5	20%	0.197	15%	0.154	C	C	.	.	H	α-helix	trans	-80.5	-14.1	-176.8	-57.6	-38.7	0	0	0	114.2	T326 H328 A331 L332 E335 R348 V349 A350	T326-F352 VanDerWaalsContact CB-O 3.25Å; T326-F352 WeakPolarHBondContact CB-O 3.35Å; T326-F352 WeakPolarHBondContact CG2-O 3.46Å; T326-F352 PolarHBondContact OG1-O 3.39Å; H328-F352 HydrophobicContact CB-CB 4.08Å; H328-F352 HydrophobicContact CB-CD1 4.02Å; H328-F352 HydrophobicContact CB-CG 4.36Å; A331-F352 HydrophobicContact CB-CD1 4.02Å; A331-F352 HydrophobicContact CB-CD2 3.88Å; A331-F352 HydrophobicContact CB-CE1 4.02Å; A331-F352 HydrophobicContact CB-CE2 3.87Å; A331-F352 HydrophobicContact CB-CG 3.96Å; A331-F352 HydrophobicContact CB-CZ 3.96Å; L332-F352 HydrophobicContact CB-CB 3.96Å; L332-F352 HydrophobicContact CD1-CB 4.18Å; E335-F352 HydrophobicContact CG-CD2 3.94Å; E335-F352 HydrophobicContact CG-CE2 3.83Å; R348-F352 HydrophobicContact CB-CD2 4.39Å; R348-F352 HydrophobicContact CB-CE2 4.08Å; R348-F352 VanDerWaalsContact O-CD2 3.26Å; R348-F352 WeakPolarHBondContact O-CD2 3.4Å; R348-F352 WeakPolarHBondContact O-CG 3.36Å; R348-F352 PolarHBondContact O-N 2.93Å; V349-F352 PolarHBondContact O-N 3.4Å; A350-F352 PolarHBondContact O-N 2.99Å
353	S	95.7	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10.7	177.5	61.8	0	0	0	0	114	V349 A350 E351 R356	V349-S353 WeakPolarHBondContact O-CB 3.18Å; V349-S353 PolarHBondContact O-N 3Å; V349-S353 PolarHBondContact O-OG 2.83Å; A350-S353 WeakPolarHBondContact CA-OG 3.46Å; A350-S353 PolarHBondContact O-N 3.5Å; A350-S353 PolarHBondContact O-OG 2.97Å; E351-S353 PolarHBondContact O-N 3.33Å; S353-R356 WeakPolarHBondContact O-CB 3.31Å; S353-R356 PolarHBondContact O-N 3.48Å; S353-R356 VanDerWaalsContact OG-C 3.23Å; S353-R356 PolarHBondContact OG-N 3.21Å; S353-R356 PolarHBondContact OG-O 3.16Å
354	N	94.1	Very high	97.3	Very high	97 Å²	97	29.8 Å²	29.8	52%	0.519	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	45	-172	-66.1	-41.6	0	0	0	112.7	K325 R356	K325-N354 PolarHBondContact O-ND2 2.83Å; N354-R356 VanDerWaalsContact C-N 3.29Å; N354-R356 PolarHBondContact O-N 3.35Å
355	N	95.2	Very high	97.3	Very high	103 Å²	103	29.6 Å²	29.6	55%	0.551	14%	0.14	S	C	*	.	S	Bend	trans	58.3	40.4	-177.6	-155	53.1	0	0	0	112.6	A350	A350-N355 WeakPolarHBondContact O-CA 3.36Å; A350-N355 PolarHBondContact O-N 3.47Å
356	R	97	Very high	97.4	Very high	70 Å²	70	28.6 Å²	28.6	26%	0.264	13%	0.134	S	C	.	.			trans	-121.9	50.1	173.3	-62.3	-66.8	-171.7	166.7	-3.4	112.3	V324 S353 N354 L358 C360 E390 D391	V324-R356 HydrophobicContact CG1-CB 3.78Å; S353-R356 WeakPolarHBondContact O-CB 3.31Å; S353-R356 PolarHBondContact O-N 3.48Å; S353-R356 VanDerWaalsContact OG-C 3.23Å; S353-R356 PolarHBondContact OG-N 3.21Å; S353-R356 PolarHBondContact OG-O 3.16Å; N354-R356 VanDerWaalsContact C-N 3.29Å; N354-R356 PolarHBondContact O-N 3.35Å; R356-L358 VanDerWaalsContact C-N 3.34Å; R356-L358 PolarHBondContact O-N 2.97Å; R356-C360 WeakPolarHBondContact O-CB 3.45Å; R356-C360 PolarHBondContact O-N 3.12Å; R356-C360 VanDerWaalsContact O-N 3.11Å; R356-E390 VanDerWaalsContact C-OE1 3.26Å; R356-E390 WeakPolarHBondContact CA-OE1 3.25Å; R356-E390 WeakPolarHBondContact CA-OE2 3.1Å; R356-E390 WeakPolarHBondContact CD-OE2 3.46Å; R356-D391 IonicContact CZ-OD1 3.99Å; R356-D391 IonicContact NH1-OD1 3.93Å; R356-D391 PolarHBondContact NH1-OD1 3.31Å; R356-D391 IonicContact NH2-OD1 3.22Å; R356-D391 PolarHBondContact NH2-OD1 3.02Å
357	P	98.1	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-39.6	-175.8	26.8	-36.2	0	0	0	112.5	V349 A350 C360 I361 E390 L403 A406	V349-P357 HydrophobicContact CG1-CB 4.48Å; A350-P357 HydrophobicContact CB-CB 3.93Å; A350-P357 HydrophobicContact CB-CG 3.89Å; P357-C360 PolarHBondContact O-N 3.05Å; P357-I361 WeakPolarHBondContact O-CB 2.99Å; P357-I361 WeakPolarHBondContact O-CG1 3.42Å; P357-I361 PolarHBondContact O-N 3.34Å; P357-E390 WeakPolarHBondContact CD-OE1 3.43Å; P357-L403 HydrophobicContact CB-CD1 4.01Å; P357-L403 HydrophobicContact CG-CB 4.34Å; P357-L403 HydrophobicContact CG-CD1 3.84Å; P357-A406 HydrophobicContact CB-CB 3.89Å; P357-A406 HydrophobicContact CG-CB 4.4Å
358	L	98.6	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-46	-176.6	-179.5	61	0	0	0	110.9	R356 C360 I361 M362 V386 L389 E390 Y393 A405 A406 A438	R356-L358 VanDerWaalsContact C-N 3.34Å; R356-L358 PolarHBondContact O-N 2.97Å; L358-C360 VanDerWaalsContact C-N 3.32Å; L358-C360 PolarHBondContact O-N 3.21Å; L358-I361 PolarHBondContact O-N 2.85Å; L358-M362 HydrophobicContact CD1-CG 3.89Å; L358-M362 HydrophobicContact CG-CG 4.39Å; L358-M362 WeakPolarHBondContact O-CB 3.27Å; L358-M362 WeakPolarHBondContact O-CG 3.34Å; L358-M362 PolarHBondContact O-N 3.09Å; L358-V386 HydrophobicContact CG-CG1 4.38Å; L358-L389 HydrophobicContact CD2-CD2 4Å; L358-L389 HydrophobicContact CD2-CG 4.18Å; L358-E390 HydrophobicContact CB-CB 4.44Å; L358-E390 HydrophobicContact CB-CG 4.36Å; L358-E390 HydrophobicContact CD2-CB 4.4Å; L358-E390 PolarHBondContact N-OE1 3.22Å; L358-Y393 HydrophobicContact CD2-CD2 4.09Å; L358-Y393 HydrophobicContact CD2-CE2 3.75Å; L358-A405 HydrophobicContact CD1-CB 4.21Å; L358-A405 HydrophobicContact CD2-CB 4.16Å; L358-A406 HydrophobicContact CB-CB 4.19Å; L358-A406 HydrophobicContact CD1-CB 4.38Å; L358-A438 HydrophobicContact CD1-CB 4.15Å
359	S	97.8	Very high	97.3	Very high	6 Å²	6	35 Å²	35	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-44.9	175.3	-60.2	0	0	0	0	112.3	F363 E390	S359-F363 VanDerWaalsContact O-CB 3.26Å; S359-F363 WeakPolarHBondContact O-CB 3.34Å; S359-F363 PolarHBondContact O-N 3Å; S359-F363 VanDerWaalsContact O-N 3.08Å; S359-E390 WeakPolarHBondContact CB-OE2 3.45Å; S359-E390 PolarHBondContact N-OE2 2.7Å; S359-E390 PolarHBondContact OG-OE2 2.91Å
360	C	97.9	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-50.1	-179.8	-174.5	0	0	0	0	112.2	V324 V349 R356 P357 L358 F363 A364	V324-C360 HydrophobicContact CG1-CB 4.27Å; V324-C360 HydrophobicContact CG2-CB 4.18Å; V349-C360 HydrophobicContact CG1-CB 4.34Å; R356-C360 WeakPolarHBondContact O-CB 3.45Å; R356-C360 PolarHBondContact O-N 3.12Å; R356-C360 VanDerWaalsContact O-N 3.11Å; P357-C360 PolarHBondContact O-N 3.05Å; L358-C360 VanDerWaalsContact C-N 3.32Å; L358-C360 PolarHBondContact O-N 3.21Å; C360-F363 PolarHBondContact O-N 2.92Å; C360-A364 WeakPolarHBondContact O-CB 3.22Å; C360-A364 PolarHBondContact O-N 2.94Å
361	I	98.6	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-45.8	-178.1	-72.8	-60.5	0	0	0	111.4	L336 L339 L344 I346 V349 P357 L358 F363 A364 I365 A406 T409 Q410	L336-I361 HydrophobicContact CD2-CD1 3.96Å; L339-I361 HydrophobicContact CD1-CD1 4.02Å; L344-I361 HydrophobicContact CD2-CD1 4.22Å; I346-I361 HydrophobicContact CD1-CD1 4Å; I346-I361 HydrophobicContact CD1-CG1 3.63Å; V349-I361 HydrophobicContact CG1-CD1 4.15Å; V349-I361 HydrophobicContact CG1-CG1 4.17Å; P357-I361 WeakPolarHBondContact O-CB 2.99Å; P357-I361 WeakPolarHBondContact O-CG1 3.42Å; P357-I361 PolarHBondContact O-N 3.34Å; L358-I361 PolarHBondContact O-N 2.85Å; I361-F363 VanDerWaalsContact C-N 3.31Å; I361-F363 PolarHBondContact O-N 3.25Å; I361-A364 PolarHBondContact O-N 3.24Å; I361-I365 HydrophobicContact CG2-CD1 3.47Å; I361-I365 VanDerWaalsContact CG2-CD1 3.47Å; I361-I365 HydrophobicContact CG2-CG1 4.31Å; I361-I365 WeakPolarHBondContact O-CB 3.28Å; I361-I365 VanDerWaalsContact O-CG1 3.28Å; I361-I365 WeakPolarHBondContact O-CG1 3.42Å; I361-I365 PolarHBondContact O-N 3.45Å; I361-A406 HydrophobicContact CG1-CB 4.37Å; I361-T409 HydrophobicContact CG2-CG2 4.4Å; I361-Q410 HydrophobicContact CG2-CB 3.94Å
362	M	98.4	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-44.4	176.5	-81.1	-72.8	-75.1	0	0	111.3	L358 I365 F366 F382 V386 T409 A438	L358-M362 HydrophobicContact CD1-CG 3.89Å; L358-M362 HydrophobicContact CG-CG 4.39Å; L358-M362 WeakPolarHBondContact O-CB 3.27Å; L358-M362 WeakPolarHBondContact O-CG 3.34Å; L358-M362 PolarHBondContact O-N 3.09Å; M362-I365 PolarHBondContact O-N 3.3Å; M362-F366 HydrophobicContact CE-CD2 4.23Å; M362-F366 HydrophobicContact CE-CE2 3.43Å; M362-F366 VanDerWaalsContact CE-CE2 3.43Å; M362-F366 HydrophobicContact CE-CZ 3.84Å; M362-F366 VanDerWaalsContact O-CB 3.31Å; M362-F366 WeakPolarHBondContact O-CB 3.2Å; M362-F366 WeakPolarHBondContact O-CD2 3.36Å; M362-F366 PolarHBondContact O-N 2.93Å; M362-F366 HydrophobicContact SD-CD2 4.4Å; M362-F366 HydrophobicContact SD-CE2 3.86Å; M362-F382 HydrophobicContact CB-CZ 3.99Å; M362-F382 HydrophobicContact CE-CE2 4.27Å; M362-F382 HydrophobicContact CE-CZ 4.29Å; M362-V386 HydrophobicContact CB-CG1 3.94Å; M362-V386 HydrophobicContact CB-CG2 4.25Å; M362-V386 HydrophobicContact CE-CG2 4.27Å; M362-V386 HydrophobicContact CG-CG1 4.11Å; M362-T409 HydrophobicContact CG-CG2 4.29Å; M362-T409 HydrophobicContact SD-CG2 3.63Å; M362-A438 HydrophobicContact CE-CB 4.03Å; M362-A438 HydrophobicContact CG-CB 4.35Å; M362-A438 HydrophobicContact SD-CB 3.78Å
363	F	97.8	Very high	97.4	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-46.6	177.5	-170.8	-92.8	0	0	0	112.4	L319 R321 S359 C360 I361 F366 Q367 V379 F382 V383	L319-F363 HydrophobicContact CD2-CE2 3.88Å; L319-F363 HydrophobicContact CD2-CZ 3.68Å; R321-F363 WeakPolarHBondContact O-CE1 3.45Å; S359-F363 VanDerWaalsContact O-CB 3.26Å; S359-F363 WeakPolarHBondContact O-CB 3.34Å; S359-F363 PolarHBondContact O-N 3Å; S359-F363 VanDerWaalsContact O-N 3.08Å; C360-F363 PolarHBondContact O-N 2.92Å; I361-F363 VanDerWaalsContact C-N 3.31Å; I361-F363 PolarHBondContact O-N 3.25Å; F363-F366 PolarHBondContact O-N 2.89Å; F363-Q367 HydrophobicContact CD1-CG 4.38Å; F363-Q367 HydrophobicContact CE1-CG 4.15Å; F363-Q367 HydrophobicContact CZ-CG 4.49Å; F363-Q367 VanDerWaalsContact CZ-NE2 3.26Å; F363-Q367 WeakPolarHBondContact O-CG 3.44Å; F363-Q367 PolarHBondContact O-N 3.08Å; F363-Q367 VanDerWaalsContact O-N 3.08Å; F363-V379 HydrophobicContact CE2-CG1 3.72Å; F363-V379 HydrophobicContact CZ-CG1 4.3Å; F363-F382 HydrophobicContact CB-CE1 4.13Å; F363-F382 HydrophobicContact CD2-CD1 4.03Å; F363-F382 HydrophobicContact CD2-CE1 4.02Å; F363-V383 HydrophobicContact CD2-CG2 4Å; F363-V383 HydrophobicContact CE2-CG2 3.99Å
364	A	98	Very high	97.5	Very high	10 Å²	10	40.6 Å²	40.6	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-46.6	177.9	0	0	0	0	0	111.8	L336 L339 C360 I361 F366 Q367 E368	L336-A364 HydrophobicContact CD1-CB 4.46Å; L336-A364 HydrophobicContact CD2-CB 4.25Å; L339-A364 HydrophobicContact CD1-CB 4.2Å; L339-A364 HydrophobicContact CD2-CB 3.84Å; C360-A364 WeakPolarHBondContact O-CB 3.22Å; C360-A364 PolarHBondContact O-N 2.94Å; I361-A364 PolarHBondContact O-N 3.24Å; A364-F366 PolarHBondContact O-N 2.99Å; A364-Q367 PolarHBondContact O-N 3.31Å; A364-E368 WeakPolarHBondContact O-CB 3.39Å; A364-E368 PolarHBondContact O-N 2.98Å
365	I	98.6	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-43.5	178.9	-70.6	167.6	0	0	0	111.7	L339 I361 M362 Q367 E368 R369 T409 H413 L434	L339-I365 HydrophobicContact CD1-CG1 4.01Å; L339-I365 HydrophobicContact CD2-CG1 4.36Å; L339-I365 HydrophobicContact CG-CG1 4.43Å; I361-I365 HydrophobicContact CG2-CD1 3.47Å; I361-I365 VanDerWaalsContact CG2-CD1 3.47Å; I361-I365 HydrophobicContact CG2-CG1 4.31Å; I361-I365 WeakPolarHBondContact O-CB 3.28Å; I361-I365 VanDerWaalsContact O-CG1 3.28Å; I361-I365 WeakPolarHBondContact O-CG1 3.42Å; I361-I365 PolarHBondContact O-N 3.45Å; M362-I365 PolarHBondContact O-N 3.3Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.96Å; I365-E368 PolarHBondContact O-N 3.44Å; I365-R369 WeakPolarHBondContact O-CB 3.38Å; I365-R369 PolarHBondContact O-N 3.47Å; I365-T409 HydrophobicContact CD1-CG2 3.94Å; I365-H413 HydrophobicContact CD1-CB 3.68Å; I365-H413 HydrophobicContact CG1-CB 4.1Å; I365-H413 HydrophobicContact CG2-CB 4.4Å; I365-H413 VanDerWaalsContact CG2-ND1 3.32Å; I365-H413 WeakPolarHBondContact CG2-ND1 3.42Å; I365-L434 HydrophobicContact CG2-CD1 3.62Å; I365-L434 HydrophobicContact CG2-CD2 4.01Å; I365-L434 HydrophobicContact CG2-CG 4.43Å
366	F	98.2	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-27.5	-178.7	-89.2	-118.7	0	0	0	112.4	M362 F363 A364 D370 L371 L372 I377 F382 L431 L434	M362-F366 HydrophobicContact CE-CD2 4.23Å; M362-F366 HydrophobicContact CE-CE2 3.43Å; M362-F366 VanDerWaalsContact CE-CE2 3.43Å; M362-F366 HydrophobicContact CE-CZ 3.84Å; M362-F366 VanDerWaalsContact O-CB 3.31Å; M362-F366 WeakPolarHBondContact O-CB 3.2Å; M362-F366 WeakPolarHBondContact O-CD2 3.36Å; M362-F366 PolarHBondContact O-N 2.93Å; M362-F366 HydrophobicContact SD-CD2 4.4Å; M362-F366 HydrophobicContact SD-CE2 3.86Å; F363-F366 PolarHBondContact O-N 2.89Å; A364-F366 PolarHBondContact O-N 2.99Å; F366-D370 PolarHBondContact O-N 3.32Å; F366-L371 HydrophobicContact CD1-CB 3.83Å; F366-L371 HydrophobicContact CD1-CD1 4.3Å; F366-L371 HydrophobicContact CD2-CD1 4.25Å; F366-L371 HydrophobicContact CE1-CB 4.27Å; F366-L371 HydrophobicContact CE1-CD1 4.36Å; F366-L371 HydrophobicContact CE2-CD1 4.31Å; F366-L371 HydrophobicContact CG-CB 4.26Å; F366-L371 HydrophobicContact CG-CD1 4.25Å; F366-L371 HydrophobicContact CZ-CD1 4.37Å; F366-L371 PolarHBondContact O-N 3.25Å; F366-L372 HydrophobicContact CB-CD2 4.22Å; F366-L372 HydrophobicContact CB-CG 4.05Å; F366-L372 HydrophobicContact CD1-CD2 3.9Å; F366-L372 HydrophobicContact CD1-CG 4.41Å; F366-I377 HydrophobicContact CD1-CD1 4.41Å; F366-I377 HydrophobicContact CE1-CD1 4.05Å; F366-F382 HydrophobicContact CB-CE1 4.44Å; F366-F382 HydrophobicContact CB-CE2 4.3Å; F366-F382 HydrophobicContact CB-CZ 3.9Å; F366-F382 AromaticContact CD1-CD2 3.95Å; F366-F382 HydrophobicContact CD1-CD2 3.95Å; F366-F382 AromaticContact CD1-CE2 3.3Å; F366-F382 HydrophobicContact CD1-CE2 3.3Å; F366-F382 AromaticContact CD1-CZ 3.78Å; F366-F382 HydrophobicContact CD1-CZ 3.78Å; F366-F382 AromaticContact CD2-CE2 3.93Å; F366-F382 HydrophobicContact CD2-CE2 3.93Å; F366-F382 AromaticContact CD2-CZ 3.76Å; F366-F382 HydrophobicContact CD2-CZ 3.76Å; F366-F382 HydrophobicContact CE1-CD2 4.08Å; F366-F382 AromaticContact CE1-CE2 3.4Å; F366-F382 HydrophobicContact CE1-CE2 3.4Å; F366-F382 HydrophobicContact CE1-CZ 4.21Å; F366-F382 HydrophobicContact CE2-CE2 4.01Å; F366-F382 HydrophobicContact CE2-CZ 4.18Å; F366-F382 HydrophobicContact CG-CE1 4.49Å; F366-F382 AromaticContact CG-CE2 3.57Å; F366-F382 HydrophobicContact CG-CE2 3.57Å; F366-F382 AromaticContact CG-CZ 3.52Å; F366-F382 HydrophobicContact CG-CZ 3.52Å; F366-F382 AromaticContact CZ-CE2 3.76Å; F366-F382 HydrophobicContact CZ-CE2 3.76Å; F366-F382 HydrophobicContact CZ-CZ 4.38Å; F366-L431 HydrophobicContact CE1-CD1 3.6Å; F366-L431 HydrophobicContact CZ-CD1 3.57Å; F366-L434 HydrophobicContact CE2-CB 4.46Å
367	Q	95.9	Very high	97.9	Very high	98 Å²	98	38.1 Å²	38.1	46%	0.458	17%	0.174	S	C	.	.	H	α-helix	trans	-74.5	-48.5	169.8	-72.7	-171.3	-31.6	0	0	111.9	F363 A364 I365 R369 D370 L372	F363-Q367 HydrophobicContact CD1-CG 4.38Å; F363-Q367 HydrophobicContact CE1-CG 4.15Å; F363-Q367 HydrophobicContact CZ-CG 4.49Å; F363-Q367 VanDerWaalsContact CZ-NE2 3.26Å; F363-Q367 WeakPolarHBondContact O-CG 3.44Å; F363-Q367 PolarHBondContact O-N 3.08Å; F363-Q367 VanDerWaalsContact O-N 3.08Å; A364-Q367 PolarHBondContact O-N 3.31Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.96Å; Q367-R369 VanDerWaalsContact C-N 3.3Å; Q367-R369 PolarHBondContact O-N 2.8Å; Q367-D370 PolarHBondContact O-N 2.73Å; Q367-D370 VanDerWaalsContact O-N 3.1Å; Q367-L372 HydrophobicContact CG-CD1 4.31Å
368	E	97.3	Very high	97.8	Very high	112 Å²	112	40.1 Å²	40.1	52%	0.523	19%	0.187	S	C	.	.	H	α-helix	trans	-57.9	-42	-179.4	-177.7	66.9	-176.7	0	0	111.9	L339 N340 A364 I365	L339-E368 HydrophobicContact CD2-CB 4.18Å; L339-E368 HydrophobicContact CD2-CG 4.45Å; N340-E368 PolarHBondContact ND2-OE1 3.29Å; A364-E368 WeakPolarHBondContact O-CB 3.39Å; A364-E368 PolarHBondContact O-N 2.98Å; I365-E368 PolarHBondContact O-N 3.44Å
369	R	97.7	Very high	97.6	Very high	54 Å²	54	42.7 Å²	42.7	20%	0.204	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.5	179.5	-64.9	-175.2	173.2	-74.4	-5.8	114.3	I365 Q367 L371 H413 S417	I365-R369 WeakPolarHBondContact O-CB 3.38Å; I365-R369 PolarHBondContact O-N 3.47Å; Q367-R369 VanDerWaalsContact C-N 3.3Å; Q367-R369 PolarHBondContact O-N 2.8Å; R369-L371 HydrophobicContact CB-CD1 4.1Å; R369-L371 HydrophobicContact CB-CD2 4.38Å; R369-L371 HydrophobicContact CB-CG 3.78Å; R369-L371 PolarHBondContact O-N 2.66Å; R369-H413 PolarHBondContact NE-CE1 3.07Å; R369-H413 VanDerWaalsContact NE-CE1 3.28Å; R369-H413 PolarHBondContact NE-ND1 2.94Å; R369-H413 PolarHBondContact NH2-O 2.83Å; R369-S417 PolarHBondContact NH2-OG 3.17Å
370	D	97.8	Very high	97.4	Very high	64 Å²	64	45.9 Å²	45.9	34%	0.342	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	23.4	-177	-151.9	28.4	0	0	0	115.9	F366 Q367 L372 K373 T374	F366-D370 PolarHBondContact O-N 3.32Å; Q367-D370 PolarHBondContact O-N 2.73Å; Q367-D370 VanDerWaalsContact O-N 3.1Å; D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.04Å; D370-K373 PolarHBondContact O-N 2.7Å; D370-K373 VanDerWaalsContact O-N 3.13Å; D370-K373 WeakPolarHBondContact OD1-CB 3.45Å; D370-K373 WeakPolarHBondContact OD1-CD 3.23Å; D370-K373 WeakPolarHBondContact OD1-CE 3.44Å; D370-K373 WeakPolarHBondContact OD1-CG 3.23Å; D370-K373 IonicContact OD1-NZ 3.47Å; D370-K373 PolarHBondContact OD1-NZ 3.47Å; D370-K373 IonicContact OD2-NZ 3.61Å; D370-T374 PolarHBondContact O-N 3.35Å; D370-T374 PolarHBondContact O-OG1 3.21Å; D370-T374 VanDerWaalsContact O-OG1 3.12Å
371	L	98.2	Very high	97.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-32.2	-173.1	-63.7	174.7	0	0	0	112.7	F366 R369 K373 T374 F375 I430 L434	F366-L371 HydrophobicContact CD1-CB 3.83Å; F366-L371 HydrophobicContact CD1-CD1 4.3Å; F366-L371 HydrophobicContact CD2-CD1 4.25Å; F366-L371 HydrophobicContact CE1-CB 4.27Å; F366-L371 HydrophobicContact CE1-CD1 4.36Å; F366-L371 HydrophobicContact CE2-CD1 4.31Å; F366-L371 HydrophobicContact CG-CB 4.26Å; F366-L371 HydrophobicContact CG-CD1 4.25Å; F366-L371 HydrophobicContact CZ-CD1 4.37Å; F366-L371 PolarHBondContact O-N 3.25Å; R369-L371 HydrophobicContact CB-CD1 4.1Å; R369-L371 HydrophobicContact CB-CD2 4.38Å; R369-L371 HydrophobicContact CB-CG 3.78Å; R369-L371 PolarHBondContact O-N 2.66Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.83Å; L371-T374 PolarHBondContact O-N 3.11Å; L371-F375 HydrophobicContact CB-CD2 4.43Å; L371-F375 HydrophobicContact CD2-CD2 4.29Å; L371-F375 HydrophobicContact CD2-CE2 3.9Å; L371-F375 PolarHBondContact O-N 2.86Å; L371-I430 HydrophobicContact CD1-CG2 4.46Å; L371-I430 HydrophobicContact CD2-CG2 4.39Å; L371-L434 HydrophobicContact CD1-CD1 3.69Å
372	L	97.2	Very high	97.3	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-41	176.1	-61.4	175	0	0	0	111.3	F366 Q367 D370 R376 I377 V379 F382	F366-L372 HydrophobicContact CB-CD2 4.22Å; F366-L372 HydrophobicContact CB-CG 4.05Å; F366-L372 HydrophobicContact CD1-CD2 3.9Å; F366-L372 HydrophobicContact CD1-CG 4.41Å; Q367-L372 HydrophobicContact CG-CD1 4.31Å; D370-L372 VanDerWaalsContact C-N 3.3Å; D370-L372 PolarHBondContact O-N 3.04Å; L372-R376 CarbonylContact O-C 3.55Å; L372-R376 VanDerWaalsContact O-CA 3.3Å; L372-R376 WeakPolarHBondContact O-CA 3.33Å; L372-R376 PolarHBondContact O-N 2.96Å; L372-R376 VanDerWaalsContact O-N 3.1Å; L372-I377 HydrophobicContact CD2-CB 3.96Å; L372-I377 HydrophobicContact CD2-CG2 4.22Å; L372-I377 PolarHBondContact O-N 3.26Å; L372-V379 HydrophobicContact CD1-CG2 4.43Å; L372-F382 HydrophobicContact CD2-CB 3.97Å; L372-F382 HydrophobicContact CD2-CD1 4.2Å; L372-F382 HydrophobicContact CD2-CD2 3.87Å; L372-F382 HydrophobicContact CD2-CE2 4.42Å; L372-F382 HydrophobicContact CD2-CG 3.73Å
373	K	97.6	Very high	97.1	Very high	153 Å²	153	46.5 Å²	46.5	67%	0.665	22%	0.223	S	C	*	.	H	α-helix	trans	-76.3	-47.4	178.1	-61.5	-164.5	-157.9	102.6	0	111	D370 L371 F375 R376	D370-K373 PolarHBondContact O-N 2.7Å; D370-K373 VanDerWaalsContact O-N 3.13Å; D370-K373 WeakPolarHBondContact OD1-CB 3.45Å; D370-K373 WeakPolarHBondContact OD1-CD 3.23Å; D370-K373 WeakPolarHBondContact OD1-CE 3.44Å; D370-K373 WeakPolarHBondContact OD1-CG 3.23Å; D370-K373 IonicContact OD1-NZ 3.47Å; D370-K373 PolarHBondContact OD1-NZ 3.47Å; D370-K373 IonicContact OD2-NZ 3.61Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.83Å; K373-F375 VanDerWaalsContact C-N 3.3Å; K373-F375 PolarHBondContact O-N 2.83Å; K373-R376 PolarHBondContact O-N 3.32Å; K373-R376 VanDerWaalsContact O-N 3.15Å
374	T	98.1	Very high	97	Very high	63 Å²	63	47.7 Å²	47.7	39%	0.387	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-45.8	-178.9	-61.5	0	0	0	0	112	D370 L371 D427	D370-T374 PolarHBondContact O-N 3.35Å; D370-T374 PolarHBondContact O-OG1 3.21Å; D370-T374 VanDerWaalsContact O-OG1 3.12Å; L371-T374 PolarHBondContact O-N 3.11Å; T374-D427 HydrophobicContact CG2-CB 4.1Å
375	F	98.1	Very high	97	Very high	16 Å²	16	47.2 Å²	47.2	7%	0.07	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.6	-178.8	-64.3	-66.2	0	0	0	114.5	L371 K373 I377 D427 L428 L431 L492	L371-F375 HydrophobicContact CB-CD2 4.43Å; L371-F375 HydrophobicContact CD2-CD2 4.29Å; L371-F375 HydrophobicContact CD2-CE2 3.9Å; L371-F375 PolarHBondContact O-N 2.86Å; K373-F375 VanDerWaalsContact C-N 3.3Å; K373-F375 PolarHBondContact O-N 2.83Å; F375-I377 VanDerWaalsContact C-N 3.27Å; F375-I377 HydrophobicContact CB-CD1 4.08Å; F375-I377 HydrophobicContact CB-CG1 3.83Å; F375-I377 PolarHBondContact O-N 2.93Å; F375-D427 HydrophobicContact CE2-CB 3.92Å; F375-D427 WeakPolarHBondContact CE2-O 3.43Å; F375-D427 VanDerWaalsContact CZ-C 3.48Å; F375-D427 HydrophobicContact CZ-CB 3.65Å; F375-D427 WeakPolarHBondContact CZ-O 3.45Å; F375-L428 HydrophobicContact CE1-CD1 4.06Å; F375-L428 HydrophobicContact CZ-CB 4.33Å; F375-L428 HydrophobicContact CZ-CD1 4.34Å; F375-L431 HydrophobicContact CD1-CD2 4.32Å; F375-L431 HydrophobicContact CD2-CB 4.41Å; F375-L431 HydrophobicContact CD2-CD2 3.66Å; F375-L431 HydrophobicContact CD2-CG 4.45Å; F375-L431 HydrophobicContact CE1-CD2 4.39Å; F375-L431 HydrophobicContact CE2-CB 3.83Å; F375-L431 HydrophobicContact CE2-CD2 3.74Å; F375-L431 HydrophobicContact CE2-CG 4.32Å; F375-L431 HydrophobicContact CG-CD2 3.95Å; F375-L431 HydrophobicContact CZ-CB 4.32Å; F375-L431 HydrophobicContact CZ-CD2 4.11Å; F375-L492 HydrophobicContact CB-CD2 4.06Å; F375-L492 HydrophobicContact CD1-CD2 3.3Å; F375-L492 HydrophobicContact CE1-CD2 4.04Å; F375-L492 HydrophobicContact CG-CD2 4Å
376	R	97.9	Very high	96.9	Very high	194 Å²	194	47.3 Å²	47.3	73%	0.732	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	43.9	179.5	-55	176.5	179.8	174.5	-0.5	112.1	L372 K373 P378 N491	L372-R376 CarbonylContact O-C 3.55Å; L372-R376 VanDerWaalsContact O-CA 3.3Å; L372-R376 WeakPolarHBondContact O-CA 3.33Å; L372-R376 PolarHBondContact O-N 2.96Å; L372-R376 VanDerWaalsContact O-N 3.1Å; K373-R376 PolarHBondContact O-N 3.32Å; K373-R376 VanDerWaalsContact O-N 3.15Å; R376-P378 WeakPolarHBondContact O-CD 3.15Å; R376-N491 HydrophobicContact CB-CB 4.15Å; R376-N491 PolarHBondContact O-ND2 3.5Å
377	I	97.8	Very high	96.8	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.036	24%	0.238	C	C	.	.			trans	-82.1	117.7	179.7	-49.2	-178.4	0	0	0	107.8	F366 L372 F375 V379 F382 I488	F366-I377 HydrophobicContact CD1-CD1 4.41Å; F366-I377 HydrophobicContact CE1-CD1 4.05Å; L372-I377 HydrophobicContact CD2-CB 3.96Å; L372-I377 HydrophobicContact CD2-CG2 4.22Å; L372-I377 PolarHBondContact O-N 3.26Å; F375-I377 VanDerWaalsContact C-N 3.27Å; F375-I377 HydrophobicContact CB-CD1 4.08Å; F375-I377 HydrophobicContact CB-CG1 3.83Å; F375-I377 PolarHBondContact O-N 2.93Å; I377-V379 PolarHBondContact O-N 3.12Å; I377-F382 HydrophobicContact CG2-CB 3.94Å; I377-F382 HydrophobicContact CG2-CD2 4.39Å; I377-I488 WeakPolarHBondContact CG1-O 3.35Å; I377-I488 HydrophobicContact CG2-CB 3.86Å; I377-I488 HydrophobicContact CG2-CG2 4.01Å
378	P	96.4	Very high	96.8	Very high	42 Å²	42	45.1 Å²	45.1	27%	0.273	22%	0.218	S	C	.	.			trans	-61.3	134	174	-21.3	34.8	0	0	0	110.2	R376 D380 T381 F382	R376-P378 WeakPolarHBondContact O-CD 3.15Å; P378-D380 VanDerWaalsContact C-N 3.26Å; P378-D380 WeakPolarHBondContact CB-OD1 3.31Å; P378-D380 PolarHBondContact O-N 3.37Å; P378-T381 WeakPolarHBondContact O-CB 3.45Å; P378-T381 PolarHBondContact O-N 2.97Å; P378-T381 VanDerWaalsContact O-N 3.17Å; P378-F382 PolarHBondContact O-N 3.1Å
379	V	94.9	Very high	96.8	Very high	54 Å²	54	39.8 Å²	39.8	33%	0.327	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-35.8	-172.6	-172	0	0	0	0	111.3	L319 F363 L372 I377 F382 V383	L319-V379 HydrophobicContact CD1-CB 4.18Å; L319-V379 HydrophobicContact CD1-CG1 3.63Å; L319-V379 HydrophobicContact CD2-CG1 3.52Å; L319-V379 HydrophobicContact CG-CG1 4.23Å; F363-V379 HydrophobicContact CE2-CG1 3.72Å; F363-V379 HydrophobicContact CZ-CG1 4.3Å; L372-V379 HydrophobicContact CD1-CG2 4.43Å; I377-V379 PolarHBondContact O-N 3.12Å; V379-F382 PolarHBondContact O-N 2.95Å; V379-V383 WeakPolarHBondContact O-CG2 3.46Å; V379-V383 PolarHBondContact O-N 3.48Å
380	D	93.9	Very high	96.9	Very high	74 Å²	74	37.5 Å²	37.5	40%	0.396	19%	0.185	S	C	.	.	H	α-helix	trans	-66.1	-43.6	175.5	65.9	-58.9	0	0	0	112	P378 F382 V383 T384 N485	P378-D380 VanDerWaalsContact C-N 3.26Å; P378-D380 WeakPolarHBondContact CB-OD1 3.31Å; P378-D380 PolarHBondContact O-N 3.37Å; D380-F382 VanDerWaalsContact C-N 3.32Å; D380-F382 PolarHBondContact O-N 2.9Å; D380-V383 PolarHBondContact O-N 3.29Å; D380-T384 WeakPolarHBondContact O-CB 3.33Å; D380-T384 PolarHBondContact O-N 2.9Å; D380-T384 PolarHBondContact O-OG1 3.03Å; D380-N485 PolarHBondContact OD2-ND2 3.12Å
381	T	95.4	Very high	96.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-42.7	173.9	-52.9	0	0	0	0	110.9	P378 T384 Y385 N485 I488	P378-T381 WeakPolarHBondContact O-CB 3.45Å; P378-T381 PolarHBondContact O-N 2.97Å; P378-T381 VanDerWaalsContact O-N 3.17Å; T381-T384 PolarHBondContact O-N 3.29Å; T381-Y385 WeakPolarHBondContact O-CB 3.27Å; T381-Y385 PolarHBondContact O-N 3.4Å; T381-N485 WeakPolarHBondContact CA-O 3.38Å; T381-N485 WeakPolarHBondContact CG2-O 3.19Å; T381-N485 PolarHBondContact OG1-OD1 3.2Å; T381-I488 HydrophobicContact CG2-CG2 4.21Å
382	F	97.3	Very high	96.8	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-52.4	178	-178.7	-97	0	0	0	112.4	M362 F363 F366 L372 I377 P378 V379 D380 T384 Y385 V386 I488	M362-F382 HydrophobicContact CB-CZ 3.99Å; M362-F382 HydrophobicContact CE-CE2 4.27Å; M362-F382 HydrophobicContact CE-CZ 4.29Å; F363-F382 HydrophobicContact CB-CE1 4.13Å; F363-F382 HydrophobicContact CD2-CD1 4.03Å; F363-F382 HydrophobicContact CD2-CE1 4.02Å; F366-F382 HydrophobicContact CB-CE1 4.44Å; F366-F382 HydrophobicContact CB-CE2 4.3Å; F366-F382 HydrophobicContact CB-CZ 3.9Å; F366-F382 AromaticContact CD1-CD2 3.95Å; F366-F382 HydrophobicContact CD1-CD2 3.95Å; F366-F382 AromaticContact CD1-CE2 3.3Å; F366-F382 HydrophobicContact CD1-CE2 3.3Å; F366-F382 AromaticContact CD1-CZ 3.78Å; F366-F382 HydrophobicContact CD1-CZ 3.78Å; F366-F382 AromaticContact CD2-CE2 3.93Å; F366-F382 HydrophobicContact CD2-CE2 3.93Å; F366-F382 AromaticContact CD2-CZ 3.76Å; F366-F382 HydrophobicContact CD2-CZ 3.76Å; F366-F382 HydrophobicContact CE1-CD2 4.08Å; F366-F382 AromaticContact CE1-CE2 3.4Å; F366-F382 HydrophobicContact CE1-CE2 3.4Å; F366-F382 HydrophobicContact CE1-CZ 4.21Å; F366-F382 HydrophobicContact CE2-CE2 4.01Å; F366-F382 HydrophobicContact CE2-CZ 4.18Å; F366-F382 HydrophobicContact CG-CE1 4.49Å; F366-F382 AromaticContact CG-CE2 3.57Å; F366-F382 HydrophobicContact CG-CE2 3.57Å; F366-F382 AromaticContact CG-CZ 3.52Å; F366-F382 HydrophobicContact CG-CZ 3.52Å; F366-F382 AromaticContact CZ-CE2 3.76Å; F366-F382 HydrophobicContact CZ-CE2 3.76Å; F366-F382 HydrophobicContact CZ-CZ 4.38Å; L372-F382 HydrophobicContact CD2-CB 3.97Å; L372-F382 HydrophobicContact CD2-CD1 4.2Å; L372-F382 HydrophobicContact CD2-CD2 3.87Å; L372-F382 HydrophobicContact CD2-CE2 4.42Å; L372-F382 HydrophobicContact CD2-CG 3.73Å; I377-F382 HydrophobicContact CG2-CB 3.94Å; I377-F382 HydrophobicContact CG2-CD2 4.39Å; P378-F382 PolarHBondContact O-N 3.1Å; V379-F382 PolarHBondContact O-N 2.95Å; D380-F382 VanDerWaalsContact C-N 3.32Å; D380-F382 PolarHBondContact O-N 2.9Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 3.24Å; F382-Y385 PolarHBondContact O-N 3.22Å; F382-V386 HydrophobicContact CD1-CG2 4.37Å; F382-V386 HydrophobicContact CD2-CG2 4.3Å; F382-V386 HydrophobicContact CE1-CG2 3.97Å; F382-V386 HydrophobicContact CE2-CG2 3.9Å; F382-V386 HydrophobicContact CZ-CG2 3.75Å; F382-V386 WeakPolarHBondContact O-CG2 3.16Å; F382-V386 PolarHBondContact O-N 2.99Å; F382-I488 HydrophobicContact CB-CG2 4.34Å; F382-I488 HydrophobicContact CD2-CG2 4.22Å
383	V	95.4	Very high	96.8	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-42.1	178.4	171.9	0	0	0	0	110.7	F363 V379 D380 Y385 V386 M387	F363-V383 HydrophobicContact CD2-CG2 4Å; F363-V383 HydrophobicContact CE2-CG2 3.99Å; V379-V383 WeakPolarHBondContact O-CG2 3.46Å; V379-V383 PolarHBondContact O-N 3.48Å; D380-V383 PolarHBondContact O-N 3.29Å; V383-Y385 PolarHBondContact O-N 2.88Å; V383-V386 PolarHBondContact O-N 3.02Å; V383-M387 HydrophobicContact CG1-CE 3.64Å; V383-M387 HydrophobicContact CG1-CG 4.22Å; V383-M387 HydrophobicContact CG1-SD 3.8Å; V383-M387 WeakPolarHBondContact O-CB 3.12Å; V383-M387 VanDerWaalsContact O-CG 3.27Å; V383-M387 WeakPolarHBondContact O-CG 3.25Å; V383-M387 PolarHBondContact O-N 3.33Å
384	T	95.3	Very high	96.8	Very high	29 Å²	29	32.2 Å²	32.2	18%	0.178	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-45.4	178.5	-54.2	0	0	0	0	111.5	D380 T381 F382 T388 N485	D380-T384 WeakPolarHBondContact O-CB 3.33Å; D380-T384 PolarHBondContact O-N 2.9Å; D380-T384 PolarHBondContact O-OG1 3.03Å; T381-T384 PolarHBondContact O-N 3.29Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 3.24Å; T384-T388 VanDerWaalsContact O-CB 3.27Å; T384-T388 WeakPolarHBondContact O-CB 3.46Å; T384-T388 PolarHBondContact O-N 3.34Å; T384-T388 PolarHBondContact O-OG1 3.49Å; T384-N485 WeakPolarHBondContact CB-O 3.42Å; T384-N485 HydrophobicContact CG2-CB 4.41Å
385	Y	97.8	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-50.5	177.1	178	-97.6	0	0	0	112	T381 F382 V383 M387 T388 L389 F435 G477 L480 L481 C486 I488	T381-Y385 WeakPolarHBondContact O-CB 3.27Å; T381-Y385 PolarHBondContact O-N 3.4Å; F382-Y385 PolarHBondContact O-N 3.22Å; V383-Y385 PolarHBondContact O-N 2.88Å; Y385-M387 PolarHBondContact O-N 3.19Å; Y385-T388 CarbonylContact O-C 3.5Å; Y385-T388 WeakPolarHBondContact O-CB 3.38Å; Y385-T388 PolarHBondContact O-N 3.26Å; Y385-L389 HydrophobicContact CE1-CB 4.41Å; Y385-L389 HydrophobicContact CE1-CD2 4.17Å; Y385-L389 WeakPolarHBondContact O-CB 3.43Å; Y385-L389 PolarHBondContact O-N 3.24Å; Y385-F435 HydrophobicContact CE1-CD2 4.36Å; Y385-F435 AromaticContact CE1-CE2 3.56Å; Y385-F435 HydrophobicContact CE1-CE2 3.56Å; Y385-F435 HydrophobicContact CE1-CZ 4.44Å; Y385-F435 AromaticContact CZ-CE2 3.58Å; Y385-F435 WeakPolarHBondContact OH-CE2 3.49Å; Y385-F435 WeakPolarHBondContact OH-CZ 3.41Å; Y385-G477 PolarHBondContact OH-O 2.8Å; Y385-L480 HydrophobicContact CE2-CB 3.86Å; Y385-L481 HydrophobicContact CD2-CD2 3.74Å; Y385-L481 HydrophobicContact CD2-CG 4.38Å; Y385-L481 HydrophobicContact CE2-CD2 3.45Å; Y385-L481 VanDerWaalsContact CE2-CD2 3.45Å; Y385-L481 HydrophobicContact CE2-CG 3.74Å; Y385-L481 HydrophobicContact CG-CD2 4.46Å; Y385-C486 HydrophobicContact CD2-CB 4.08Å; Y385-C486 VanDerWaalsContact CD2-O 3.23Å; Y385-C486 WeakPolarHBondContact CD2-O 3.42Å; Y385-I488 HydrophobicContact CD1-CD1 3.87Å; Y385-I488 HydrophobicContact CD1-CG1 4.28Å; Y385-I488 HydrophobicContact CD1-CG2 4.28Å; Y385-I488 HydrophobicContact CE1-CD1 4.07Å; Y385-I488 HydrophobicContact CG-CD1 4.46Å; Y385-I488 HydrophobicContact CG-CG1 4.39Å; Y385-I488 HydrophobicContact CG-CG2 4.02Å
386	V	97.3	Very high	96.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-35.8	-174.5	-172.4	0	0	0	0	111.8	L358 M362 F382 V383 T388 L389 E390	L358-V386 HydrophobicContact CG-CG1 4.38Å; M362-V386 HydrophobicContact CB-CG1 3.94Å; M362-V386 HydrophobicContact CB-CG2 4.25Å; M362-V386 HydrophobicContact CE-CG2 4.27Å; M362-V386 HydrophobicContact CG-CG1 4.11Å; F382-V386 HydrophobicContact CD1-CG2 4.37Å; F382-V386 HydrophobicContact CD2-CG2 4.3Å; F382-V386 HydrophobicContact CE1-CG2 3.97Å; F382-V386 HydrophobicContact CE2-CG2 3.9Å; F382-V386 HydrophobicContact CZ-CG2 3.75Å; F382-V386 WeakPolarHBondContact O-CG2 3.16Å; F382-V386 PolarHBondContact O-N 2.99Å; V383-V386 PolarHBondContact O-N 3.02Å; V386-T388 VanDerWaalsContact C-N 3.32Å; V386-T388 PolarHBondContact O-N 3.15Å; V386-L389 WeakPolarHBondContact O-CB 3.39Å; V386-L389 PolarHBondContact O-N 3.27Å; V386-E390 WeakPolarHBondContact O-CB 3.21Å; V386-E390 PolarHBondContact O-N 2.99Å
387	M	95.3	Very high	96.5	Very high	45 Å²	45	29.4 Å²	29.4	22%	0.222	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-42.2	171.4	-73.9	-175.7	172.4	0	0	111.6	G323 V383 Y385 E390 D391	G323-M387 WeakPolarHBondContact O-CE 3.21Å; V383-M387 HydrophobicContact CG1-CE 3.64Å; V383-M387 HydrophobicContact CG1-CG 4.22Å; V383-M387 HydrophobicContact CG1-SD 3.8Å; V383-M387 WeakPolarHBondContact O-CB 3.12Å; V383-M387 VanDerWaalsContact O-CG 3.27Å; V383-M387 WeakPolarHBondContact O-CG 3.25Å; V383-M387 PolarHBondContact O-N 3.33Å; Y385-M387 PolarHBondContact O-N 3.19Å; M387-E390 PolarHBondContact O-N 3.12Å; M387-D391 WeakPolarHBondContact O-CB 3.22Å; M387-D391 VanDerWaalsContact O-CG 3.23Å; M387-D391 PolarHBondContact O-N 3.37Å
388	T	96.3	Very high	96.5	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.2	-62.9	0	0	0	0	111.5	L308 T384 Y385 V386 D391 H392 L480	L308-T388 HydrophobicContact CD1-CG2 3.8Å; T384-T388 VanDerWaalsContact O-CB 3.27Å; T384-T388 WeakPolarHBondContact O-CB 3.46Å; T384-T388 PolarHBondContact O-N 3.34Å; T384-T388 PolarHBondContact O-OG1 3.49Å; Y385-T388 CarbonylContact O-C 3.5Å; Y385-T388 WeakPolarHBondContact O-CB 3.38Å; Y385-T388 PolarHBondContact O-N 3.26Å; V386-T388 VanDerWaalsContact C-N 3.32Å; V386-T388 PolarHBondContact O-N 3.15Å; T388-D391 PolarHBondContact O-N 2.89Å; T388-H392 PolarHBondContact O-N 3.18Å; T388-H392 PolarHBondContact O-ND1 3.25Å; T388-L480 HydrophobicContact CG2-CD1 4.35Å; T388-L480 HydrophobicContact CG2-CD2 3.95Å; T388-L480 HydrophobicContact CG2-CG 4.48Å
389	L	98.1	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-49.7	175.2	177	67	0	0	0	111.2	L358 Y385 V386 D391 H392 Y393 A438 I439 V442 L480	L358-L389 HydrophobicContact CD2-CD2 4Å; L358-L389 HydrophobicContact CD2-CG 4.18Å; Y385-L389 HydrophobicContact CE1-CB 4.41Å; Y385-L389 HydrophobicContact CE1-CD2 4.17Å; Y385-L389 WeakPolarHBondContact O-CB 3.43Å; Y385-L389 PolarHBondContact O-N 3.24Å; V386-L389 WeakPolarHBondContact O-CB 3.39Å; V386-L389 PolarHBondContact O-N 3.27Å; L389-D391 VanDerWaalsContact C-N 3.29Å; L389-D391 PolarHBondContact O-N 3.35Å; L389-H392 PolarHBondContact O-N 3.43Å; L389-Y393 HydrophobicContact CD1-CE2 4.49Å; L389-Y393 HydrophobicContact CG-CE2 4.38Å; L389-A438 HydrophobicContact CD2-CB 4.13Å; L389-I439 HydrophobicContact CD1-CB 4.43Å; L389-I439 HydrophobicContact CD1-CG2 3.82Å; L389-I439 HydrophobicContact CD2-CG2 3.93Å; L389-V442 HydrophobicContact CD1-CB 3.99Å; L389-V442 HydrophobicContact CD1-CG1 4.42Å; L389-V442 HydrophobicContact CD1-CG2 3.67Å; L389-L480 HydrophobicContact CB-CD1 4.43Å; L389-L480 HydrophobicContact CD1-CD1 4.07Å
390	E	98.1	Very high	96.8	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.028	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-35.2	178.8	-178.6	153.3	-139.4	0	0	112.3	R356 P357 L358 S359 V386 M387 H392 Y393 S402	R356-E390 VanDerWaalsContact C-OE1 3.26Å; R356-E390 WeakPolarHBondContact CA-OE1 3.25Å; R356-E390 WeakPolarHBondContact CA-OE2 3.1Å; R356-E390 WeakPolarHBondContact CD-OE2 3.46Å; P357-E390 WeakPolarHBondContact CD-OE1 3.43Å; L358-E390 HydrophobicContact CB-CB 4.44Å; L358-E390 HydrophobicContact CB-CG 4.36Å; L358-E390 HydrophobicContact CD2-CB 4.4Å; L358-E390 PolarHBondContact N-OE1 3.22Å; S359-E390 WeakPolarHBondContact CB-OE2 3.45Å; S359-E390 PolarHBondContact N-OE2 2.7Å; S359-E390 PolarHBondContact OG-OE2 2.91Å; V386-E390 WeakPolarHBondContact O-CB 3.21Å; V386-E390 PolarHBondContact O-N 2.99Å; M387-E390 PolarHBondContact O-N 3.12Å; E390-H392 PolarHBondContact O-N 3.37Å; E390-Y393 PolarHBondContact O-N 3.26Å; E390-Y393 VanDerWaalsContact O-N 3.13Å; E390-S402 WeakPolarHBondContact OE1-CB 3.36Å; E390-S402 PolarHBondContact OE1-OG 3.42Å
391	D	96.6	Very high	97	Very high	47 Å²	47	24.4 Å²	24.4	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-20.3	173.8	-75.7	-20.4	0	0	0	113.7	L308 H310 R356 M387 T388 L389	L308-D391 HydrophobicContact CD1-CB 3.97Å; L308-D391 HydrophobicContact CD2-CB 4.22Å; L308-D391 WeakPolarHBondContact CD2-OD2 3.24Å; H310-D391 IonicContact CE1-OD2 3.82Å; H310-D391 IonicContact NE2-OD2 2.97Å; H310-D391 PolarHBondContact NE2-OD2 3.16Å; R356-D391 IonicContact CZ-OD1 3.99Å; R356-D391 IonicContact NH1-OD1 3.93Å; R356-D391 PolarHBondContact NH1-OD1 3.31Å; R356-D391 IonicContact NH2-OD1 3.22Å; R356-D391 PolarHBondContact NH2-OD1 3.02Å; M387-D391 WeakPolarHBondContact O-CB 3.22Å; M387-D391 VanDerWaalsContact O-CG 3.23Å; M387-D391 PolarHBondContact O-N 3.37Å; T388-D391 PolarHBondContact O-N 2.89Å; L389-D391 VanDerWaalsContact C-N 3.29Å; L389-D391 PolarHBondContact O-N 3.35Å
392	H	97.5	Very high	97.2	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.046	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.5	175.8	-74	76.1	0	0	0	113.1	T388 L389 E390 H394 V442 D443 L480	T388-H392 PolarHBondContact O-N 3.18Å; T388-H392 PolarHBondContact O-ND1 3.25Å; L389-H392 PolarHBondContact O-N 3.43Å; E390-H392 PolarHBondContact O-N 3.37Å; H392-H394 PolarHBondContact O-CD2 3.45Å; H392-V442 HydrophobicContact CB-CG2 3.61Å; H392-D443 WeakPolarHBondContact O-CA 3.38Å; H392-D443 PolarHBondContact O-N 3.03Å; H392-D443 VanDerWaalsContact O-N 3.16Å; H392-L480 HydrophobicContact CB-CD1 4.36Å; H392-L480 VanDerWaalsContact CE1-CD2 3.42Å; H392-L480 WeakPolarHBondContact CE1-CD2 3.15Å
393	Y	98.4	Very high	97.2	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.039	15%	0.145	C	C	.	.	S	Bend	trans	-80.1	135.1	164.7	-80.5	-85.1	0	0	0	110.6	L358 L389 E390 A395 N401 A405 A438 D441 V442	L358-Y393 HydrophobicContact CD2-CD2 4.09Å; L358-Y393 HydrophobicContact CD2-CE2 3.75Å; L389-Y393 HydrophobicContact CD1-CE2 4.49Å; L389-Y393 HydrophobicContact CG-CE2 4.38Å; E390-Y393 PolarHBondContact O-N 3.26Å; E390-Y393 VanDerWaalsContact O-N 3.13Å; Y393-A395 PolarHBondContact O-N 3.44Å; Y393-N401 VanDerWaalsContact CD1-C 3.4Å; Y393-A405 HydrophobicContact CE1-CB 3.81Å; Y393-A405 HydrophobicContact CE2-CB 3.87Å; Y393-A405 VanDerWaalsContact OH-CB 3.27Å; Y393-A405 WeakPolarHBondContact OH-CB 3.28Å; Y393-A438 PolarHBondContact OH-O 3.41Å; Y393-D441 HydrophobicContact CE1-CB 3.72Å; Y393-D441 VanDerWaalsContact CE1-O 3.23Å; Y393-D441 WeakPolarHBondContact CE1-O 3.43Å; Y393-D441 PolarHBondContact OH-N 3.4Å; Y393-V442 HydrophobicContact CD2-CB 4.46Å; Y393-V442 HydrophobicContact CD2-CG2 4.27Å; Y393-V442 HydrophobicContact CE2-CB 3.91Å; Y393-V442 HydrophobicContact CE2-CG2 4.13Å; Y393-V442 PolarHBondContact OH-N 2.96Å
394	H	97.1	Very high	97.4	Very high	57 Å²	57	24.8 Å²	24.8	26%	0.264	14%	0.142	S	C	.	.			trans	-81.6	107.7	-172.2	-71.8	-167	0	0	0	110.5	H392 N396 V397 D443	H392-H394 PolarHBondContact O-CD2 3.45Å; H394-N396 WeakPolarHBondContact CB-OD1 3.28Å; H394-N396 PolarHBondContact O-N 3.15Å; H394-N396 VanDerWaalsContact O-N 3.08Å; H394-V397 HydrophobicContact CB-CB 4.08Å; H394-V397 HydrophobicContact CB-CG2 3.56Å; H394-V397 WeakPolarHBondContact O-CB 3.29Å; H394-V397 PolarHBondContact O-N 3.41Å; H394-D443 IonicContact CD2-OD1 2.69Å; H394-D443 IonicContact CE1-OD1 2.74Å; H394-D443 IonicContact NE2-OD1 3.16Å; H394-D443 PolarHBondContact NE2-OD1 2.85Å
395	A	94.5	Very high	97.6	Very high	91 Å²	91	23.4 Å²	23.4	75%	0.752	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.1	179.4	0	0	0	0	0	114.2	Y393	Y393-A395 PolarHBondContact O-N 3.44Å
396	N	94.8	Very high	97.6	Very high	114 Å²	114	23.4 Å²	23.4	61%	0.61	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.9	175	63.4	-48.9	0	0	0	113.3	H394 R582	H394-N396 WeakPolarHBondContact CB-OD1 3.28Å; H394-N396 PolarHBondContact O-N 3.15Å; H394-N396 VanDerWaalsContact O-N 3.08Å; N396-R582 PolarHBondContact O-NH1 3.03Å
397	V	98	Very high	97.7	Very high	9 Å²	9	23.3 Å²	23.3	6%	0.055	13%	0.133	C	C	.	.	S	Bend	trans	-87.2	132	173.7	173.7	0	0	0	0	108.3	H394 H400 N401 E579	H394-V397 HydrophobicContact CB-CB 4.08Å; H394-V397 HydrophobicContact CB-CG2 3.56Å; H394-V397 WeakPolarHBondContact O-CB 3.29Å; H394-V397 PolarHBondContact O-N 3.41Å; V397-H400 HydrophobicContact CG1-CB 4.14Å; V397-H400 WeakPolarHBondContact CG1-O 3.44Å; V397-N401 PolarHBondContact O-ND2 3.12Å; V397-E579 WeakPolarHBondContact CG1-OE2 3.44Å
398	A	98.1	Very high	97.9	Very high	7 Å²	7	21.1 Å²	21.1	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-78.2	-39.3	-164.6	0	0	0	0	0	112.9	N401 R575 E578 E579	A398-N401 PolarHBondContact O-ND2 2.66Å; A398-R575 WeakPolarHBondContact CB-O 3.34Å; A398-R575 PolarHBondContact O-NH1 3.3Å; A398-R575 VanDerWaalsContact O-NH1 3.15Å; A398-E578 HydrophobicContact CB-CB 4.06Å; A398-E578 HydrophobicContact CB-CG 3.95Å; A398-E579 HydrophobicContact CB-CB 4.27Å; A398-E579 PolarHBondContact N-OE2 2.93Å
399	Y	98.7	Very high	98	Very high	16 Å²	16	20.8 Å²	20.8	6%	0.063	12%	0.121	C	C	.	.	S	Bend	trans	-108.3	-62.6	-178	-179.7	-88.3	0	0	0	112	N401 H404 N561 W572 R575 I576 E579	Y399-N401 PolarHBondContact O-N 3.17Å; Y399-H404 AromaticContact CE1-CD2 3.84Å; Y399-H404 AromaticContact CE1-CE1 3.75Å; Y399-H404 AromaticContact CE1-CG 3.9Å; Y399-H404 AromaticContact CE1-ND1 3.84Å; Y399-H404 AromaticContact CE1-NE2 3.73Å; Y399-H404 AromaticContact CZ-CE1 3.64Å; Y399-H404 AromaticContact CZ-ND1 3.62Å; Y399-H404 WeakPolarHBondContact O-CB 3.39Å; Y399-H404 PolarHBondContact OH-CE1 2.88Å; Y399-H404 PolarHBondContact OH-ND1 3.45Å; Y399-N561 VanDerWaalsContact CE2-ND2 3.32Å; Y399-N561 WeakPolarHBondContact CE2-ND2 3.41Å; Y399-N561 PolarHBondContact OH-ND2 3.37Å; Y399-W572 AromaticContact CD2-CE3 3.73Å; Y399-W572 HydrophobicContact CD2-CE3 3.73Å; Y399-W572 HydrophobicContact CD2-CZ3 4.19Å; Y399-W572 HydrophobicContact CE2-CD2 4.37Å; Y399-W572 AromaticContact CE2-CE3 3.71Å; Y399-W572 HydrophobicContact CE2-CE3 3.71Å; Y399-W572 HydrophobicContact CE2-CZ3 4.32Å; Y399-R575 HydrophobicContact CD2-CB 4.31Å; Y399-I576 HydrophobicContact CD1-CD1 3.77Å; Y399-I576 HydrophobicContact CD2-CB 3.69Å; Y399-I576 HydrophobicContact CD2-CD1 4.2Å; Y399-I576 HydrophobicContact CD2-CG1 4.44Å; Y399-I576 HydrophobicContact CE1-CD1 4.27Å; Y399-I576 HydrophobicContact CE2-CB 4.19Å; Y399-I576 HydrophobicContact CG-CB 4.03Å; Y399-I576 HydrophobicContact CG-CD1 3.73Å; Y399-I576 HydrophobicContact CG-CG1 4.44Å; Y399-E579 WeakPolarHBondContact CA-OE2 3.49Å; Y399-E579 WeakPolarHBondContact CB-OE2 3.35Å; Y399-E579 PolarHBondContact N-OE2 2.77Å
400	H	98.8	Very high	98	Very high	34 Å²	34	20.8 Å²	20.8	16%	0.157	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	67.8	-175	-55.7	96.2	0	0	0	111.5	V397 D441 H444 E579	V397-H400 HydrophobicContact CG1-CB 4.14Å; V397-H400 WeakPolarHBondContact CG1-O 3.44Å; H400-D441 IonicContact CD2-OD2 2.98Å; H400-D441 PolarHBondContact CD2-OD2 2.96Å; H400-D441 VanDerWaalsContact CD2-OD2 3.26Å; H400-H444 HydrophobicContact CB-CB 3.88Å; H400-H444 WeakPolarHBondContact CB-ND1 3.27Å; H400-H444 AromaticContact CE1-CE1 3.98Å; H400-H444 AromaticContact CG-CE1 3.65Å; H400-H444 AromaticContact CG-CG 3.99Å; H400-H444 AromaticContact CG-ND1 3.65Å; H400-H444 AromaticContact ND1-CE1 3.37Å; H400-H444 PolarHBondContact ND1-CE1 2.9Å; H400-H444 AromaticContact ND1-ND1 3.72Å; H400-H444 AromaticContact ND1-NE2 3.95Å; H400-E579 IonicContact CE1-OE1 3.82Å; H400-E579 PolarHBondContact CE1-OE1 3.46Å; H400-E579 IonicContact CG-OE1 3.92Å; H400-E579 PolarHBondContact N-OE2 2.95Å; H400-E579 VanDerWaalsContact N-OE2 3.12Å; H400-E579 IonicContact ND1-OE1 2.84Å; H400-E579 PolarHBondContact ND1-OE1 2.97Å; H400-E579 IonicContact ND1-OE2 3.5Å
401	N	98.6	Very high	98.1	Very high	15 Å²	15	20.5 Å²	20.5	8%	0.08	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-175.6	178.5	63	49.6	0	0	0	110.6	Y393 V397 A398 Y399 L403 H404 A405	Y393-N401 VanDerWaalsContact CD1-C 3.4Å; V397-N401 PolarHBondContact O-ND2 3.12Å; A398-N401 PolarHBondContact O-ND2 2.66Å; Y399-N401 PolarHBondContact O-N 3.17Å; N401-L403 PolarHBondContact O-N 2.91Å; N401-L403 VanDerWaalsContact O-N 3.1Å; N401-L403 WeakPolarHBondContact OD1-CB 3.32Å; N401-L403 PolarHBondContact OD1-N 3.5Å; N401-H404 PolarHBondContact O-N 2.96Å; N401-H404 VanDerWaalsContact O-N 3.08Å; N401-A405 PolarHBondContact O-N 2.93Å
402	S	98.6	Very high	98.2	Very high	13 Å²	13	18.2 Å²	18.2	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-21.9	-174.2	69.7	0	0	0	0	114	E390 A406	E390-S402 WeakPolarHBondContact OE1-CB 3.36Å; E390-S402 PolarHBondContact OE1-OG 3.42Å; S402-A406 WeakPolarHBondContact O-CB 3.19Å; S402-A406 PolarHBondContact O-N 3.37Å
403	L	98.7	Very high	98.2	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-44.3	174.9	-173.7	65.1	0	0	0	111.4	I346 F347 A350 P357 N401 A406 D407 W572	I346-L403 HydrophobicContact CB-CD1 4.47Å; I346-L403 HydrophobicContact CG1-CD1 3.94Å; I346-L403 HydrophobicContact CG2-CD1 4.09Å; I346-L403 HydrophobicContact CG2-CG 4.4Å; I346-L403 WeakPolarHBondContact O-CD1 3.24Å; F347-L403 HydrophobicContact CD1-CD2 3.51Å; F347-L403 HydrophobicContact CE1-CD2 3.48Å; F347-L403 VanDerWaalsContact CE1-CD2 3.48Å; F347-L403 HydrophobicContact CE1-CG 4.47Å; A350-L403 HydrophobicContact CB-CD1 3.63Å; P357-L403 HydrophobicContact CB-CD1 4.01Å; P357-L403 HydrophobicContact CG-CB 4.34Å; P357-L403 HydrophobicContact CG-CD1 3.84Å; N401-L403 PolarHBondContact O-N 2.91Å; N401-L403 VanDerWaalsContact O-N 3.1Å; N401-L403 WeakPolarHBondContact OD1-CB 3.32Å; N401-L403 PolarHBondContact OD1-N 3.5Å; L403-A406 WeakPolarHBondContact O-CB 3.46Å; L403-A406 PolarHBondContact O-N 3.03Å; L403-D407 PolarHBondContact O-N 3.22Å; L403-W572 HydrophobicContact CB-CH2 4.16Å; L403-W572 HydrophobicContact CD2-CH2 3.92Å; L403-W572 HydrophobicContact CD2-CZ3 4.44Å; L403-W572 HydrophobicContact CG-CH2 3.66Å; L403-W572 HydrophobicContact CG-CZ2 4.22Å
404	H	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.4	-45.6	177.8	173.7	57.2	0	0	0	110.1	Y399 N401 A406 D407 V408 H440 D441 D558 W572	Y399-H404 AromaticContact CE1-CD2 3.84Å; Y399-H404 AromaticContact CE1-CE1 3.75Å; Y399-H404 AromaticContact CE1-CG 3.9Å; Y399-H404 AromaticContact CE1-ND1 3.84Å; Y399-H404 AromaticContact CE1-NE2 3.73Å; Y399-H404 AromaticContact CZ-CE1 3.64Å; Y399-H404 AromaticContact CZ-ND1 3.62Å; Y399-H404 WeakPolarHBondContact O-CB 3.39Å; Y399-H404 PolarHBondContact OH-CE1 2.88Å; Y399-H404 PolarHBondContact OH-ND1 3.45Å; N401-H404 PolarHBondContact O-N 2.96Å; N401-H404 VanDerWaalsContact O-N 3.08Å; H404-A406 PolarHBondContact O-N 3.03Å; H404-D407 WeakPolarHBondContact O-CB 3.12Å; H404-D407 PolarHBondContact O-N 3.3Å; H404-V408 WeakPolarHBondContact CE1-CG2 3.39Å; H404-V408 WeakPolarHBondContact O-CG2 3.2Å; H404-V408 PolarHBondContact O-N 2.93Å; H404-H440 AromaticContact CD2-NE2 3.92Å; H404-H440 AromaticContact NE2-CE1 3.84Å; H404-H440 AromaticContact NE2-NE2 3.45Å; H404-H440 PolarHBondContact NE2-NE2 3.42Å; H404-D441 IonicContact CD2-OD2 3.03Å; H404-D441 PolarHBondContact CD2-OD2 3.35Å; H404-D441 IonicContact NE2-OD2 3.88Å; H404-D441 PolarHBondContact NE2-OD2 3.08Å; H404-D558 IonicContact CE1-OD1 3.46Å; H404-D558 PolarHBondContact CE1-OD1 2.92Å; H404-D558 IonicContact NE2-OD1 2.77Å; H404-D558 PolarHBondContact NE2-OD1 2.92Å; H404-W572 HydrophobicContact CB-CH2 3.89Å; H404-W572 HydrophobicContact CB-CZ3 4.01Å
405	A	98.8	Very high	98.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.8	-39	173.5	0	0	0	0	0	112.9	L358 Y393 N401 T409	L358-A405 HydrophobicContact CD1-CB 4.21Å; L358-A405 HydrophobicContact CD2-CB 4.16Å; Y393-A405 HydrophobicContact CE1-CB 3.81Å; Y393-A405 HydrophobicContact CE2-CB 3.87Å; Y393-A405 VanDerWaalsContact OH-CB 3.27Å; Y393-A405 WeakPolarHBondContact OH-CB 3.28Å; N401-A405 PolarHBondContact O-N 2.93Å; A405-T409 VanDerWaalsContact O-CB 3.27Å; A405-T409 WeakPolarHBondContact O-CB 3.45Å; A405-T409 PolarHBondContact O-N 3.45Å; A405-T409 PolarHBondContact O-OG1 2.96Å
406	A	98.8	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.6	-40.8	176	0	0	0	0	0	112.3	I346 P357 L358 I361 S402 L403 H404 T409 Q410	I346-A406 HydrophobicContact CD1-CB 3.84Å; I346-A406 HydrophobicContact CG1-CB 4.09Å; P357-A406 HydrophobicContact CB-CB 3.89Å; P357-A406 HydrophobicContact CG-CB 4.4Å; L358-A406 HydrophobicContact CB-CB 4.19Å; L358-A406 HydrophobicContact CD1-CB 4.38Å; I361-A406 HydrophobicContact CG1-CB 4.37Å; S402-A406 WeakPolarHBondContact O-CB 3.19Å; S402-A406 PolarHBondContact O-N 3.37Å; L403-A406 WeakPolarHBondContact O-CB 3.46Å; L403-A406 PolarHBondContact O-N 3.03Å; H404-A406 PolarHBondContact O-N 3.03Å; A406-T409 PolarHBondContact O-N 2.62Å; A406-Q410 WeakPolarHBondContact O-CB 3.33Å; A406-Q410 PolarHBondContact O-N 3.3Å
407	D	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65	-45.1	176.4	-167.2	27.5	0	0	0	111.9	I346 L403 H404 T409 Q410 S411 K564 W572	I346-D407 HydrophobicContact CB-CB 4.46Å; I346-D407 HydrophobicContact CG1-CB 4.27Å; I346-D407 HydrophobicContact CG2-CB 4.11Å; L403-D407 PolarHBondContact O-N 3.22Å; H404-D407 WeakPolarHBondContact O-CB 3.12Å; H404-D407 PolarHBondContact O-N 3.3Å; D407-T409 VanDerWaalsContact C-N 3.34Å; D407-T409 PolarHBondContact O-N 3.45Å; D407-Q410 PolarHBondContact O-N 3.17Å; D407-S411 VanDerWaalsContact O-CB 3.23Å; D407-S411 WeakPolarHBondContact O-CB 3.45Å; D407-S411 PolarHBondContact O-N 3.26Å; D407-S411 PolarHBondContact O-OG 3.22Å; D407-K564 IonicContact OD1-NZ 3.69Å; D407-K564 PolarHBondContact OD1-NZ 2.76Å; D407-K564 IonicContact OD2-NZ 3.66Å; D407-K564 PolarHBondContact OD2-NZ 3.45Å; D407-W572 HydrophobicContact CB-CZ2 3.82Å; D407-W572 PolarHBondContact OD2-NE1 3.2Å
408	V	98.9	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-40.3	176.6	179.9	0	0	0	0	110.9	H404 S411 T412 A437 A557 D558	H404-V408 WeakPolarHBondContact CE1-CG2 3.39Å; H404-V408 WeakPolarHBondContact O-CG2 3.2Å; H404-V408 PolarHBondContact O-N 2.93Å; V408-S411 PolarHBondContact O-N 2.93Å; V408-T412 VanDerWaalsContact O-CB 3.3Å; V408-T412 WeakPolarHBondContact O-CB 3.39Å; V408-T412 PolarHBondContact O-N 3.41Å; V408-T412 PolarHBondContact O-OG1 2.79Å; V408-A437 HydrophobicContact CG1-CB 4.08Å; V408-A557 HydrophobicContact CG1-CB 3.95Å; V408-D558 HydrophobicContact CG1-CB 4.46Å; V408-D558 HydrophobicContact CG2-CB 4.45Å
409	T	98.9	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-45.7	176.4	-59	0	0	0	0	111.6	I361 M362 I365 A405 A406 D407 H413 L434 A438	I361-T409 HydrophobicContact CG2-CG2 4.4Å; M362-T409 HydrophobicContact CG-CG2 4.29Å; M362-T409 HydrophobicContact SD-CG2 3.63Å; I365-T409 HydrophobicContact CD1-CG2 3.94Å; A405-T409 VanDerWaalsContact O-CB 3.27Å; A405-T409 WeakPolarHBondContact O-CB 3.45Å; A405-T409 PolarHBondContact O-N 3.45Å; A405-T409 PolarHBondContact O-OG1 2.96Å; A406-T409 PolarHBondContact O-N 2.62Å; D407-T409 VanDerWaalsContact C-N 3.34Å; D407-T409 PolarHBondContact O-N 3.45Å; T409-H413 WeakPolarHBondContact O-CB 3.26Å; T409-H413 PolarHBondContact O-N 2.68Å; T409-L434 HydrophobicContact CG2-CD2 4.46Å; T409-A438 WeakPolarHBondContact OG1-CA 3.49Å; T409-A438 PolarHBondContact OG1-N 2.9Å
410	Q	98.8	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.4	-40.2	177.9	-171	-87.1	-21.9	0	0	112	L339 K341 L344 I361 A406 D407 H413 V414	L339-Q410 HydrophobicContact CD1-CG 4.39Å; L339-Q410 PolarHBondContact O-NE2 2.95Å; K341-Q410 PolarHBondContact O-NE2 3.28Å; L344-Q410 HydrophobicContact CD2-CG 4.29Å; I361-Q410 HydrophobicContact CG2-CB 3.94Å; A406-Q410 WeakPolarHBondContact O-CB 3.33Å; A406-Q410 PolarHBondContact O-N 3.3Å; D407-Q410 PolarHBondContact O-N 3.17Å; Q410-H413 WeakPolarHBondContact O-CA 3.48Å; Q410-H413 VanDerWaalsContact O-CB 3.3Å; Q410-H413 WeakPolarHBondContact O-CB 3.43Å; Q410-H413 PolarHBondContact O-N 3.08Å; Q410-H413 VanDerWaalsContact O-N 3.15Å; Q410-V414 VanDerWaalsContact NE2-CG2 3.32Å; Q410-V414 PolarHBondContact O-N 3.32Å
411	S	98.9	Very high	97.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-45.3	176	-58.4	0	0	0	0	111	D407 V408 H413 V414 L415 K564	D407-S411 VanDerWaalsContact O-CB 3.23Å; D407-S411 WeakPolarHBondContact O-CB 3.45Å; D407-S411 PolarHBondContact O-N 3.26Å; D407-S411 PolarHBondContact O-OG 3.22Å; V408-S411 PolarHBondContact O-N 2.93Å; S411-H413 VanDerWaalsContact C-N 3.29Å; S411-H413 PolarHBondContact O-N 3.15Å; S411-V414 PolarHBondContact O-N 3.42Å; S411-V414 VanDerWaalsContact O-N 3.11Å; S411-L415 WeakPolarHBondContact O-CG 3.04Å; S411-L415 PolarHBondContact O-N 2.86Å; S411-K564 WeakPolarHBondContact OG-CE 3.39Å; S411-K564 PolarHBondContact OG-NZ 3.25Å
412	T	98.9	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.8	-41.7	172.9	-58.9	0	0	0	0	111.2	V408 V414 L415 L416 A433 A437 M553 V554 A557	V408-T412 VanDerWaalsContact O-CB 3.3Å; V408-T412 WeakPolarHBondContact O-CB 3.39Å; V408-T412 PolarHBondContact O-N 3.41Å; V408-T412 PolarHBondContact O-OG1 2.79Å; T412-V414 VanDerWaalsContact C-N 3.33Å; T412-V414 PolarHBondContact O-N 2.61Å; T412-L415 PolarHBondContact O-N 3.42Å; T412-L416 HydrophobicContact CG2-CD1 4.14Å; T412-L416 HydrophobicContact CG2-CG 4.45Å; T412-L416 WeakPolarHBondContact O-CB 3.36Å; T412-L416 WeakPolarHBondContact O-CG 3.5Å; T412-L416 PolarHBondContact O-N 3.46Å; T412-A433 HydrophobicContact CG2-CB 4.22Å; T412-A437 HydrophobicContact CG2-CB 4.48Å; T412-M553 HydrophobicContact CG2-SD 4.37Å; T412-V554 HydrophobicContact CG2-CG2 4.29Å; T412-A557 VanDerWaalsContact OG1-CB 3.3Å; T412-A557 WeakPolarHBondContact OG1-CB 3.44Å
413	H	98.7	Very high	97.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-43.4	174.1	168.9	100.6	0	0	0	112.2	N340 I365 R369 T409 Q410 S411 S417 L434	N340-H413 PolarHBondContact OD1-NE2 3.29Å; I365-H413 HydrophobicContact CD1-CB 3.68Å; I365-H413 HydrophobicContact CG1-CB 4.1Å; I365-H413 HydrophobicContact CG2-CB 4.4Å; I365-H413 VanDerWaalsContact CG2-ND1 3.32Å; I365-H413 WeakPolarHBondContact CG2-ND1 3.42Å; R369-H413 PolarHBondContact NE-CE1 3.07Å; R369-H413 VanDerWaalsContact NE-CE1 3.28Å; R369-H413 PolarHBondContact NE-ND1 2.94Å; R369-H413 PolarHBondContact NH2-O 2.83Å; T409-H413 WeakPolarHBondContact O-CB 3.26Å; T409-H413 PolarHBondContact O-N 2.68Å; Q410-H413 WeakPolarHBondContact O-CA 3.48Å; Q410-H413 VanDerWaalsContact O-CB 3.3Å; Q410-H413 WeakPolarHBondContact O-CB 3.43Å; Q410-H413 PolarHBondContact O-N 3.08Å; Q410-H413 VanDerWaalsContact O-N 3.15Å; S411-H413 VanDerWaalsContact C-N 3.29Å; S411-H413 PolarHBondContact O-N 3.15Å; H413-S417 PolarHBondContact O-OG 3.09Å; H413-L434 HydrophobicContact CB-CD2 3.89Å
414	V	98.6	Very high	97	Very high	23 Å²	23	20.5 Å²	20.5	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-43.3	178.6	176.5	0	0	0	0	111.1	W342 Q410 S411 T412 L416 S417	W342-V414 HydrophobicContact CE3-CB 4.05Å; W342-V414 HydrophobicContact CE3-CG1 3.88Å; W342-V414 HydrophobicContact CZ3-CB 4.4Å; Q410-V414 VanDerWaalsContact NE2-CG2 3.32Å; Q410-V414 PolarHBondContact O-N 3.32Å; S411-V414 PolarHBondContact O-N 3.42Å; S411-V414 VanDerWaalsContact O-N 3.11Å; T412-V414 VanDerWaalsContact C-N 3.33Å; T412-V414 PolarHBondContact O-N 2.61Å; V414-L416 VanDerWaalsContact C-N 3.32Å; V414-L416 PolarHBondContact O-N 2.97Å; V414-S417 WeakPolarHBondContact O-CA 3.37Å; V414-S417 WeakPolarHBondContact O-CB 3.33Å; V414-S417 PolarHBondContact O-N 2.72Å
415	L	98.4	Very high	96.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-32.5	178.7	-64.4	178.1	0	0	0	113.1	W342 S411 T412 S417 T418 M553 C556 A557 W621 W624	W342-L415 HydrophobicContact CH2-CD2 4.38Å; W342-L415 HydrophobicContact CH2-CG 4.41Å; W342-L415 HydrophobicContact CZ3-CD2 4.02Å; W342-L415 HydrophobicContact CZ3-CG 3.98Å; S411-L415 WeakPolarHBondContact O-CG 3.04Å; S411-L415 PolarHBondContact O-N 2.86Å; T412-L415 PolarHBondContact O-N 3.42Å; L415-S417 PolarHBondContact O-N 3.05Å; L415-T418 WeakPolarHBondContact O-CB 3.37Å; L415-T418 PolarHBondContact O-N 2.86Å; L415-T418 PolarHBondContact O-OG1 2.96Å; L415-M553 HydrophobicContact CB-CE 4.36Å; L415-M553 HydrophobicContact CB-CG 3.68Å; L415-M553 HydrophobicContact CB-SD 4.01Å; L415-M553 HydrophobicContact CD1-CG 3.9Å; L415-M553 HydrophobicContact CG-CG 4.46Å; L415-C556 HydrophobicContact CD1-CB 4.26Å; L415-A557 HydrophobicContact CD1-CB 4.32Å; L415-W621 HydrophobicContact CD1-CH2 4.2Å; L415-W621 HydrophobicContact CD2-CH2 4.11Å; L415-W621 HydrophobicContact CD2-CZ3 4.19Å; L415-W624 HydrophobicContact CB-CZ2 4.31Å; L415-W624 HydrophobicContact CD1-CZ2 4.49Å; L415-W624 HydrophobicContact CD2-CZ2 4.28Å
416	L	98.1	Very high	96.8	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.063	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	172	-76.5	168.3	0	0	0	113.1	T412 V414 F425 I430 A433 L434 L550 M553	T412-L416 HydrophobicContact CG2-CD1 4.14Å; T412-L416 HydrophobicContact CG2-CG 4.45Å; T412-L416 WeakPolarHBondContact O-CB 3.36Å; T412-L416 WeakPolarHBondContact O-CG 3.5Å; T412-L416 PolarHBondContact O-N 3.46Å; V414-L416 VanDerWaalsContact C-N 3.32Å; V414-L416 PolarHBondContact O-N 2.97Å; L416-F425 HydrophobicContact CD2-CD2 4.04Å; L416-F425 HydrophobicContact CD2-CE2 4.49Å; L416-I430 HydrophobicContact CD1-CG2 4.21Å; L416-I430 HydrophobicContact CD2-CG1 4.27Å; L416-A433 HydrophobicContact CD1-CB 4.25Å; L416-L434 HydrophobicContact CD1-CD2 4.15Å; L416-L434 HydrophobicContact CD1-CG 4.1Å; L416-L550 HydrophobicContact CD2-CD2 4.25Å; L416-M553 HydrophobicContact CB-SD 4.45Å; L416-M553 HydrophobicContact CD2-CE 3.94Å; L416-M553 HydrophobicContact CD2-SD 3.54Å; L416-M553 VanDerWaalsContact CD2-SD 3.54Å; L416-M553 HydrophobicContact CG-CE 4.35Å; L416-M553 HydrophobicContact CG-SD 3.56Å; L416-M553 VanDerWaalsContact CG-SD 3.56Å
417	S	96.6	Very high	96.8	Very high	66 Å²	66	28.9 Å²	28.9	46%	0.462	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.6	178.3	-61.9	0	0	0	0	113.2	R369 H413 V414 L415	R369-S417 PolarHBondContact NH2-OG 3.17Å; H413-S417 PolarHBondContact O-OG 3.09Å; V414-S417 WeakPolarHBondContact O-CA 3.37Å; V414-S417 WeakPolarHBondContact O-CB 3.33Å; V414-S417 PolarHBondContact O-N 2.72Å; L415-S417 PolarHBondContact O-N 3.05Å
418	T	95.3	Very high	96.8	Very high	15 Å²	15	30 Å²	30	9%	0.092	19%	0.188	C	C	.	.			trans	-59.6	127.3	176	-65.7	0	0	0	0	110.6	L415 A420 L421 D422 V628 D631	L415-T418 WeakPolarHBondContact O-CB 3.37Å; L415-T418 PolarHBondContact O-N 2.86Å; L415-T418 PolarHBondContact O-OG1 2.96Å; T418-A420 VanDerWaalsContact C-N 3.29Å; T418-A420 HydrophobicContact CG2-CB 4.25Å; T418-A420 PolarHBondContact O-N 3.1Å; T418-L421 CarbonylContact O-C 3.58Å; T418-L421 WeakPolarHBondContact O-CA 3.25Å; T418-L421 PolarHBondContact O-N 3.05Å; T418-D422 PolarHBondContact O-N 3.33Å; T418-V628 HydrophobicContact CG2-CB 3.76Å; T418-V628 HydrophobicContact CG2-CG1 4.06Å; T418-V628 HydrophobicContact CG2-CG2 4.07Å; T418-D631 HydrophobicContact CG2-CB 3.55Å; T418-D631 VanDerWaalsContact CG2-OD2 3.22Å; T418-D631 WeakPolarHBondContact CG2-OD2 3.49Å
419	P	94.9	Very high	96.7	Very high	81 Å²	81	30.8 Å²	30.8	53%	0.526	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-52.2	-39.4	-178.1	-30.2	34.7	0	0	0	115.1	L421 D422 D631	P419-L421 PolarHBondContact O-N 2.98Å; P419-L421 VanDerWaalsContact O-N 3.1Å; P419-D422 WeakPolarHBondContact O-CB 3.38Å; P419-D422 PolarHBondContact O-N 3.04Å; P419-D422 VanDerWaalsContact O-N 3.09Å; P419-D631 WeakPolarHBondContact CD-OD2 3.46Å
420	A	92.8	Very high	96.7	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-60.5	-18	175.3	0	0	0	0	0	114.1	T418 L538 V628 D631	T418-A420 VanDerWaalsContact C-N 3.29Å; T418-A420 HydrophobicContact CG2-CB 4.25Å; T418-A420 PolarHBondContact O-N 3.1Å; A420-L538 WeakPolarHBondContact O-CB 3.43Å; A420-L538 PolarHBondContact O-N 2.86Å; A420-V628 HydrophobicContact CB-CB 3.94Å; A420-V628 HydrophobicContact CB-CG1 4.24Å; A420-D631 WeakPolarHBondContact CB-OD2 3.41Å; A420-D631 PolarHBondContact N-OD2 3.26Å
421	L	94.6	Very high	96.7	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-108.9	9.4	-179.7	-57.3	175.8	0	0	0	112.7	T418 P419 A423 V424 F425 L538 V549 M553 W624 V628	T418-L421 CarbonylContact O-C 3.58Å; T418-L421 WeakPolarHBondContact O-CA 3.25Å; T418-L421 PolarHBondContact O-N 3.05Å; P419-L421 PolarHBondContact O-N 2.98Å; P419-L421 VanDerWaalsContact O-N 3.1Å; L421-A423 PolarHBondContact O-N 3.3Å; L421-V424 WeakPolarHBondContact O-CB 3.49Å; L421-V424 WeakPolarHBondContact O-CG2 3.48Å; L421-V424 PolarHBondContact O-N 3.02Å; L421-V424 VanDerWaalsContact O-N 3.1Å; L421-F425 HydrophobicContact CB-CE2 4.22Å; L421-F425 HydrophobicContact CD1-CE2 4.19Å; L421-F425 HydrophobicContact CD2-CE2 4.3Å; L421-F425 HydrophobicContact CG-CE2 4.47Å; L421-L538 HydrophobicContact CD2-CB 4.28Å; L421-L538 HydrophobicContact CD2-CD2 3.91Å; L421-V549 HydrophobicContact CD2-CG1 4.43Å; L421-M553 HydrophobicContact CD1-CE 3.5Å; L421-W624 HydrophobicContact CD1-CH2 4.14Å; L421-W624 HydrophobicContact CD1-CZ2 4.2Å; L421-V628 HydrophobicContact CD1-CG1 4.19Å; L421-V628 HydrophobicContact CD2-CG1 4.45Å; L421-V628 HydrophobicContact CG-CG1 4.18Å
422	D	92.1	Very high	96.7	Very high	113 Å²	113	31.8 Å²	31.8	60%	0.604	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	131.5	-179.7	-174.9	39.5	0	0	0	111.8	T418 P419 V424 V537	T418-D422 PolarHBondContact O-N 3.33Å; P419-D422 WeakPolarHBondContact O-CB 3.38Å; P419-D422 PolarHBondContact O-N 3.04Å; P419-D422 VanDerWaalsContact O-N 3.09Å; D422-V424 PolarHBondContact O-N 2.8Å; D422-V537 WeakPolarHBondContact O-CG1 3.5Å
423	A	91.6	Very high	96.7	Very high	93 Å²	93	31.8 Å²	31.8	77%	0.769	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	14.8	-174.9	0	0	0	0	0	115.7	L421	L421-A423 PolarHBondContact O-N 3.3Å
424	V	94.6	Very high	96.7	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.085	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-48	177.8	175.3	0	0	0	0	109.8	L421 D422 V537 L538 L540 R546	L421-V424 WeakPolarHBondContact O-CB 3.49Å; L421-V424 WeakPolarHBondContact O-CG2 3.48Å; L421-V424 PolarHBondContact O-N 3.02Å; L421-V424 VanDerWaalsContact O-N 3.1Å; D422-V424 PolarHBondContact O-N 2.8Å; V424-V537 HydrophobicContact CG2-CG1 3.61Å; V424-L538 WeakPolarHBondContact CG2-O 3.33Å; V424-L540 HydrophobicContact CG1-CB 4.19Å; V424-L540 HydrophobicContact CG1-CD1 3.63Å; V424-L540 HydrophobicContact CG1-CG 4Å; V424-R546 PolarHBondContact O-NH1 3.35Å; V424-R546 PolarHBondContact O-NH2 3.46Å
425	F	97.1	Very high	96.7	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.079	19%	0.189	C	C	.	.	S	Bend	trans	-91.1	143.8	-175.9	-58.3	-66.6	0	0	0	113.2	L416 L421 E429 I430 L540 R546 V549 L550 M553	L416-F425 HydrophobicContact CD2-CD2 4.04Å; L416-F425 HydrophobicContact CD2-CE2 4.49Å; L421-F425 HydrophobicContact CB-CE2 4.22Å; L421-F425 HydrophobicContact CD1-CE2 4.19Å; L421-F425 HydrophobicContact CD2-CE2 4.3Å; L421-F425 HydrophobicContact CG-CE2 4.47Å; F425-E429 HydrophobicContact CB-CB 4.24Å; F425-E429 HydrophobicContact CD1-CB 4.48Å; F425-I430 HydrophobicContact CB-CD1 4.45Å; F425-I430 HydrophobicContact CB-CG1 4.04Å; F425-L540 HydrophobicContact CE1-CD1 4.26Å; F425-L540 HydrophobicContact CZ-CD1 4.23Å; F425-R546 HydrophobicContact CE1-CB 4.46Å; F425-V549 HydrophobicContact CE2-CG1 4.49Å; F425-V549 HydrophobicContact CZ-CB 4.11Å; F425-V549 HydrophobicContact CZ-CG1 3.75Å; F425-L550 HydrophobicContact CD1-CD1 4.09Å; F425-L550 HydrophobicContact CD1-CD2 3.83Å; F425-L550 HydrophobicContact CD1-CG 4.02Å; F425-L550 HydrophobicContact CD2-CD2 4.33Å; F425-L550 HydrophobicContact CE1-CD1 4.06Å; F425-L550 HydrophobicContact CE1-CD2 3.66Å; F425-L550 HydrophobicContact CE1-CG 3.6Å; F425-L550 HydrophobicContact CE2-CD2 4.18Å; F425-L550 HydrophobicContact CG-CD2 4.17Å; F425-L550 HydrophobicContact CZ-CD2 3.84Å; F425-L550 HydrophobicContact CZ-CG 4.09Å; F425-M553 HydrophobicContact CE2-CE 4Å
426	T	97.4	Very high	96.8	Very high	73 Å²	73	30.5 Å²	30.5	45%	0.448	19%	0.189	S	C	.	.			trans	-75.7	158.7	171	64.6	0	0	0	0	110.6	L428 E429 I430	T426-L428 PolarHBondContact O-N 2.77Å; T426-L428 VanDerWaalsContact O-N 3.08Å; T426-E429 WeakPolarHBondContact CB-OE2 3.26Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.46Å; T426-E429 PolarHBondContact N-OE2 3.15Å; T426-E429 PolarHBondContact O-N 2.69Å; T426-E429 PolarHBondContact OG1-N 2.66Å; T426-E429 PolarHBondContact OG1-OE2 2.88Å; T426-I430 PolarHBondContact O-N 2.79Å
427	D	98.2	Very high	96.8	Very high	84 Å²	84	30 Å²	30	45%	0.449	19%	0.186	S	C	.	.	H	α-helix	trans	-54.8	-31.8	174.9	-60.9	-32.6	0	0	0	112.6	T374 F375 L431	T374-D427 HydrophobicContact CG2-CB 4.1Å; F375-D427 HydrophobicContact CE2-CB 3.92Å; F375-D427 WeakPolarHBondContact CE2-O 3.43Å; F375-D427 VanDerWaalsContact CZ-C 3.48Å; F375-D427 HydrophobicContact CZ-CB 3.65Å; F375-D427 WeakPolarHBondContact CZ-O 3.45Å; D427-L431 VanDerWaalsContact O-CB 3.28Å; D427-L431 WeakPolarHBondContact O-CB 3.38Å; D427-L431 PolarHBondContact O-N 3.47Å
428	L	98.4	Very high	96.9	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-71.9	-36.9	180	-171.3	71.6	0	0	0	111.6	F375 T426 A432 L492 Q496 L500	F375-L428 HydrophobicContact CE1-CD1 4.06Å; F375-L428 HydrophobicContact CZ-CB 4.33Å; F375-L428 HydrophobicContact CZ-CD1 4.34Å; T426-L428 PolarHBondContact O-N 2.77Å; T426-L428 VanDerWaalsContact O-N 3.08Å; L428-A432 VanDerWaalsContact O-CB 3.29Å; L428-A432 WeakPolarHBondContact O-CB 3.43Å; L428-A432 PolarHBondContact O-N 3.24Å; L428-L492 HydrophobicContact CD1-CD1 4.38Å; L428-Q496 HydrophobicContact CD1-CB 4.18Å; L428-Q496 HydrophobicContact CD1-CG 4.48Å; L428-Q496 HydrophobicContact CD2-CB 4.23Å; L428-Q496 HydrophobicContact CD2-CG 4.2Å; L428-L500 HydrophobicContact CD1-CB 4.17Å; L428-L500 HydrophobicContact CD1-CD1 4.08Å
429	E	98.5	Very high	97.1	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-71.8	-39.4	175.4	-73.4	156	141.8	0	0	111.2	F425 T426 A432 A433 L503 R546 L550	F425-E429 HydrophobicContact CB-CB 4.24Å; F425-E429 HydrophobicContact CD1-CB 4.48Å; T426-E429 WeakPolarHBondContact CB-OE2 3.26Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.46Å; T426-E429 PolarHBondContact N-OE2 3.15Å; T426-E429 PolarHBondContact O-N 2.69Å; T426-E429 PolarHBondContact OG1-N 2.66Å; T426-E429 PolarHBondContact OG1-OE2 2.88Å; E429-A432 PolarHBondContact O-N 3.46Å; E429-A433 WeakPolarHBondContact O-CB 3.2Å; E429-A433 PolarHBondContact O-N 3.27Å; E429-L503 HydrophobicContact CB-CD1 4.49Å; E429-L503 HydrophobicContact CG-CD1 3.72Å; E429-L503 HydrophobicContact CG-CD2 4.47Å; E429-R546 VanDerWaalsContact CD-NH2 3.35Å; E429-R546 IonicContact OE1-CZ 3.94Å; E429-R546 IonicContact OE1-NE 3.88Å; E429-R546 PolarHBondContact OE1-NE 3.33Å; E429-R546 IonicContact OE1-NH2 3.83Å; E429-R546 PolarHBondContact OE1-NH2 3.18Å; E429-R546 IonicContact OE2-CZ 3.17Å; E429-R546 IonicContact OE2-NE 3.26Å; E429-R546 IonicContact OE2-NH2 2.64Å; E429-R546 PolarHBondContact OE2-NH2 3.41Å; E429-L550 HydrophobicContact CB-CD1 3.98Å; E429-L550 HydrophobicContact CG-CD1 4.17Å
430	I	98.7	Very high	97.3	Very high	22 Å²	22	22.2 Å²	22.2	11%	0.113	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-48.5	172.1	-70.7	164.4	0	0	0	110.3	L371 L416 F425 T426 A432 A433 L434	L371-I430 HydrophobicContact CD1-CG2 4.46Å; L371-I430 HydrophobicContact CD2-CG2 4.39Å; L416-I430 HydrophobicContact CD1-CG2 4.21Å; L416-I430 HydrophobicContact CD2-CG1 4.27Å; F425-I430 HydrophobicContact CB-CD1 4.45Å; F425-I430 HydrophobicContact CB-CG1 4.04Å; T426-I430 PolarHBondContact O-N 2.79Å; I430-A432 VanDerWaalsContact C-N 3.31Å; I430-A432 PolarHBondContact O-N 3.48Å; I430-A433 PolarHBondContact O-N 3Å; I430-L434 HydrophobicContact CG2-CD1 3.95Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 3.36Å; I430-L434 VanDerWaalsContact O-N 3.07Å
431	L	98.8	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-44.4	174.9	175.7	64.4	0	0	0	111.3	F366 F375 D427 F435 F489 L492 L500	F366-L431 HydrophobicContact CE1-CD1 3.6Å; F366-L431 HydrophobicContact CZ-CD1 3.57Å; F375-L431 HydrophobicContact CD1-CD2 4.32Å; F375-L431 HydrophobicContact CD2-CB 4.41Å; F375-L431 HydrophobicContact CD2-CD2 3.66Å; F375-L431 HydrophobicContact CD2-CG 4.45Å; F375-L431 HydrophobicContact CE1-CD2 4.39Å; F375-L431 HydrophobicContact CE2-CB 3.83Å; F375-L431 HydrophobicContact CE2-CD2 3.74Å; F375-L431 HydrophobicContact CE2-CG 4.32Å; F375-L431 HydrophobicContact CG-CD2 3.95Å; F375-L431 HydrophobicContact CZ-CB 4.32Å; F375-L431 HydrophobicContact CZ-CD2 4.11Å; D427-L431 VanDerWaalsContact O-CB 3.28Å; D427-L431 WeakPolarHBondContact O-CB 3.38Å; D427-L431 PolarHBondContact O-N 3.47Å; L431-F435 WeakPolarHBondContact O-CB 3.42Å; L431-F435 PolarHBondContact O-N 2.92Å; L431-F489 HydrophobicContact CD1-CE1 4.29Å; L431-F489 HydrophobicContact CD2-CD1 4.35Å; L431-F489 HydrophobicContact CD2-CE1 3.96Å; L431-F489 HydrophobicContact CG-CE1 4.25Å; L431-L492 HydrophobicContact CD2-CD1 4.5Å; L431-L500 HydrophobicContact CD2-CD1 3.55Å; L431-L500 HydrophobicContact CG-CD1 3.85Å
432	A	98.8	Very high	97.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-42.2	179.3	0	0	0	0	0	112.1	L428 E429 I430 F435 A436 L500 L503 V504 M507	L428-A432 VanDerWaalsContact O-CB 3.29Å; L428-A432 WeakPolarHBondContact O-CB 3.43Å; L428-A432 PolarHBondContact O-N 3.24Å; E429-A432 PolarHBondContact O-N 3.46Å; I430-A432 VanDerWaalsContact C-N 3.31Å; I430-A432 PolarHBondContact O-N 3.48Å; A432-F435 PolarHBondContact O-N 3.11Å; A432-A436 VanDerWaalsContact O-CB 3.24Å; A432-A436 WeakPolarHBondContact O-CB 3.37Å; A432-A436 PolarHBondContact O-N 3.5Å; A432-L500 HydrophobicContact CB-CG 4.26Å; A432-L503 HydrophobicContact CB-CB 3.76Å; A432-L503 HydrophobicContact CB-CD1 3.96Å; A432-V504 HydrophobicContact CB-CG2 3.98Å; A432-M507 VanDerWaalsContact C-CE 3.43Å; A432-M507 HydrophobicContact CB-CE 3.81Å; A432-M507 WeakPolarHBondContact O-CE 3.35Å
433	A	98.9	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-44.9	-179	0	0	0	0	0	112	T412 L416 E429 I430 A436 A437 M507 L550	T412-A433 HydrophobicContact CG2-CB 4.22Å; L416-A433 HydrophobicContact CD1-CB 4.25Å; E429-A433 WeakPolarHBondContact O-CB 3.2Å; E429-A433 PolarHBondContact O-N 3.27Å; I430-A433 PolarHBondContact O-N 3Å; A433-A436 PolarHBondContact O-N 2.84Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 2.94Å; A433-M507 HydrophobicContact CB-CE 4.33Å; A433-M507 HydrophobicContact CB-SD 3.97Å; A433-L550 HydrophobicContact CB-CD2 4.22Å
434	L	98.9	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-41.1	176.2	-66.2	169.4	0	0	0	111.8	I365 F366 L371 T409 H413 L416 I430 A438	I365-L434 HydrophobicContact CG2-CD1 3.62Å; I365-L434 HydrophobicContact CG2-CD2 4.01Å; I365-L434 HydrophobicContact CG2-CG 4.43Å; F366-L434 HydrophobicContact CE2-CB 4.46Å; L371-L434 HydrophobicContact CD1-CD1 3.69Å; T409-L434 HydrophobicContact CG2-CD2 4.46Å; H413-L434 HydrophobicContact CB-CD2 3.89Å; L416-L434 HydrophobicContact CD1-CD2 4.15Å; L416-L434 HydrophobicContact CD1-CG 4.1Å; I430-L434 HydrophobicContact CG2-CD1 3.95Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 3.36Å; I430-L434 VanDerWaalsContact O-N 3.07Å; L434-A438 WeakPolarHBondContact O-CB 3.3Å; L434-A438 PolarHBondContact O-N 3.46Å
435	F	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-42.5	175.7	-176.9	-100.6	0	0	0	111.9	Y385 L431 A432 A438 I439 F478 L481 I488 F489 V504	Y385-F435 HydrophobicContact CE1-CD2 4.36Å; Y385-F435 AromaticContact CE1-CE2 3.56Å; Y385-F435 HydrophobicContact CE1-CE2 3.56Å; Y385-F435 HydrophobicContact CE1-CZ 4.44Å; Y385-F435 AromaticContact CZ-CE2 3.58Å; Y385-F435 WeakPolarHBondContact OH-CE2 3.49Å; Y385-F435 WeakPolarHBondContact OH-CZ 3.41Å; L431-F435 WeakPolarHBondContact O-CB 3.42Å; L431-F435 PolarHBondContact O-N 2.92Å; A432-F435 PolarHBondContact O-N 3.11Å; F435-A438 PolarHBondContact O-N 3.07Å; F435-I439 HydrophobicContact CD1-CD1 4.2Å; F435-I439 HydrophobicContact CD2-CG2 4.49Å; F435-I439 HydrophobicContact CE1-CD1 3.72Å; F435-I439 HydrophobicContact CE1-CG2 4.26Å; F435-I439 HydrophobicContact CE2-CG2 4.15Å; F435-I439 HydrophobicContact CZ-CD1 4.34Å; F435-I439 HydrophobicContact CZ-CG2 4.02Å; F435-I439 WeakPolarHBondContact O-CG1 3.32Å; F435-I439 WeakPolarHBondContact O-CG2 3.35Å; F435-I439 PolarHBondContact O-N 3.2Å; F435-I439 VanDerWaalsContact O-N 3.16Å; F435-F478 HydrophobicContact CE1-CE1 4.24Å; F435-F478 HydrophobicContact CE1-CZ 4.13Å; F435-L481 HydrophobicContact CZ-CD1 4.4Å; F435-I488 HydrophobicContact CD2-CD1 4.04Å; F435-I488 HydrophobicContact CE2-CD1 3.97Å; F435-F489 HydrophobicContact CB-CZ 4.45Å; F435-F489 HydrophobicContact CD1-CE2 4.32Å; F435-F489 HydrophobicContact CD1-CZ 4.11Å; F435-F489 HydrophobicContact CD2-CE2 4.21Å; F435-F489 AromaticContact CD2-CZ 3.62Å; F435-F489 HydrophobicContact CD2-CZ 3.62Å; F435-F489 AromaticContact CE1-CE2 4Å; F435-F489 HydrophobicContact CE1-CE2 4Å; F435-F489 HydrophobicContact CE1-CZ 4.21Å; F435-F489 AromaticContact CE2-CE2 3.86Å; F435-F489 HydrophobicContact CE2-CE2 3.86Å; F435-F489 AromaticContact CE2-CZ 3.72Å; F435-F489 HydrophobicContact CE2-CZ 3.72Å; F435-F489 HydrophobicContact CG-CE2 4.41Å; F435-F489 AromaticContact CG-CZ 3.8Å; F435-F489 HydrophobicContact CG-CZ 3.8Å; F435-F489 AromaticContact CZ-CE2 3.76Å; F435-F489 HydrophobicContact CZ-CE2 3.76Å; F435-F489 HydrophobicContact CZ-CZ 4.03Å; F435-V504 HydrophobicContact CD1-CB 4.44Å; F435-V504 HydrophobicContact CD1-CG1 3.84Å; F435-V504 HydrophobicContact CD1-CG2 3.73Å; F435-V504 HydrophobicContact CE1-CG1 4.1Å; F435-V504 HydrophobicContact CE1-CG2 4.48Å
436	A	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-49.9	175.8	0	0	0	0	0	111.1	A432 A433 A438 I439 H440 V504 M507 V508	A432-A436 VanDerWaalsContact O-CB 3.24Å; A432-A436 WeakPolarHBondContact O-CB 3.37Å; A432-A436 PolarHBondContact O-N 3.5Å; A433-A436 PolarHBondContact O-N 2.84Å; A436-A438 VanDerWaalsContact C-N 3.3Å; A436-A438 PolarHBondContact O-N 3.25Å; A436-I439 PolarHBondContact O-N 3.49Å; A436-H440 WeakPolarHBondContact O-CB 3.35Å; A436-H440 PolarHBondContact O-N 3.03Å; A436-V504 HydrophobicContact CB-CG1 4.17Å; A436-M507 HydrophobicContact CB-CB 3.87Å; A436-M507 HydrophobicContact CB-CE 3.91Å; A436-M507 HydrophobicContact CB-SD 4.32Å; A436-V508 HydrophobicContact CB-CG2 3.96Å
437	A	98.9	Very high	98.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.1	-40.4	176.1	0	0	0	0	0	112.7	V408 T412 A433 I439 H440	V408-A437 HydrophobicContact CG1-CB 4.08Å; T412-A437 HydrophobicContact CG2-CB 4.48Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 2.94Å; A437-I439 PolarHBondContact O-N 3.42Å; A437-H440 PolarHBondContact O-ND1 2.9Å
438	A	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.1	-32.2	180	0	0	0	0	0	113.6	L358 M362 L389 Y393 T409 L434 F435 A436	L358-A438 HydrophobicContact CD1-CB 4.15Å; M362-A438 HydrophobicContact CE-CB 4.03Å; M362-A438 HydrophobicContact CG-CB 4.35Å; M362-A438 HydrophobicContact SD-CB 3.78Å; L389-A438 HydrophobicContact CD2-CB 4.13Å; Y393-A438 PolarHBondContact OH-O 3.41Å; T409-A438 WeakPolarHBondContact OG1-CA 3.49Å; T409-A438 PolarHBondContact OG1-N 2.9Å; L434-A438 WeakPolarHBondContact O-CB 3.3Å; L434-A438 PolarHBondContact O-N 3.46Å; F435-A438 PolarHBondContact O-N 3.07Å; A436-A438 VanDerWaalsContact C-N 3.3Å; A436-A438 PolarHBondContact O-N 3.25Å
439	I	98.8	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-100.1	-7	-176.6	73.8	167.8	0	0	0	114	L389 F435 A436 A437 D441 V442 L474 V504 V508	L389-I439 HydrophobicContact CD1-CB 4.43Å; L389-I439 HydrophobicContact CD1-CG2 3.82Å; L389-I439 HydrophobicContact CD2-CG2 3.93Å; F435-I439 HydrophobicContact CD1-CD1 4.2Å; F435-I439 HydrophobicContact CD2-CG2 4.49Å; F435-I439 HydrophobicContact CE1-CD1 3.72Å; F435-I439 HydrophobicContact CE1-CG2 4.26Å; F435-I439 HydrophobicContact CE2-CG2 4.15Å; F435-I439 HydrophobicContact CZ-CD1 4.34Å; F435-I439 HydrophobicContact CZ-CG2 4.02Å; F435-I439 WeakPolarHBondContact O-CG1 3.32Å; F435-I439 WeakPolarHBondContact O-CG2 3.35Å; F435-I439 PolarHBondContact O-N 3.2Å; F435-I439 VanDerWaalsContact O-N 3.16Å; A436-I439 PolarHBondContact O-N 3.49Å; A437-I439 PolarHBondContact O-N 3.42Å; I439-D441 PolarHBondContact O-N 3.37Å; I439-V442 HydrophobicContact CB-CG1 4.39Å; I439-V442 VanDerWaalsContact O-CG1 3.32Å; I439-V442 WeakPolarHBondContact O-CG1 3.34Å; I439-V442 PolarHBondContact O-N 3.44Å; I439-V442 VanDerWaalsContact O-N 3.1Å; I439-L474 HydrophobicContact CD1-CD2 4.27Å; I439-V504 HydrophobicContact CD1-CG1 3.84Å; I439-V508 HydrophobicContact CD1-CG2 4.46Å; I439-V508 HydrophobicContact CG1-CG2 4.17Å
440	H	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	-162.5	79.7	-72.9	0	0	0	114.6	H404 A436 A437 H473 V508 T511 D558	H404-H440 AromaticContact CD2-NE2 3.92Å; H404-H440 AromaticContact NE2-CE1 3.84Å; H404-H440 AromaticContact NE2-NE2 3.45Å; H404-H440 PolarHBondContact NE2-NE2 3.42Å; A436-H440 WeakPolarHBondContact O-CB 3.35Å; A436-H440 PolarHBondContact O-N 3.03Å; A437-H440 PolarHBondContact O-ND1 2.9Å; H440-H473 WeakPolarHBondContact O-CB 3.29Å; H440-H473 PolarHBondContact O-CD2 2.83Å; H440-V508 HydrophobicContact CB-CG1 4.32Å; H440-V508 HydrophobicContact CB-CG2 4.35Å; H440-T511 HydrophobicContact CB-CG2 4.42Å; H440-D558 IonicContact NE2-OD1 3.26Å
441	D	98.8	Very high	98.5	Very high	12 Å²	12	13 Å²	13	6%	0.064	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	14.5	-178.9	-84.9	-19.1	0	0	0	114	Y393 H400 H404 I439 D443 H444 H473	Y393-D441 HydrophobicContact CE1-CB 3.72Å; Y393-D441 VanDerWaalsContact CE1-O 3.23Å; Y393-D441 WeakPolarHBondContact CE1-O 3.43Å; Y393-D441 PolarHBondContact OH-N 3.4Å; H400-D441 IonicContact CD2-OD2 2.98Å; H400-D441 PolarHBondContact CD2-OD2 2.96Å; H400-D441 VanDerWaalsContact CD2-OD2 3.26Å; H404-D441 IonicContact CD2-OD2 3.03Å; H404-D441 PolarHBondContact CD2-OD2 3.35Å; H404-D441 IonicContact NE2-OD2 3.88Å; H404-D441 PolarHBondContact NE2-OD2 3.08Å; I439-D441 PolarHBondContact O-N 3.37Å; D441-D443 PolarHBondContact O-N 3.13Å; D441-H444 HydrophobicContact CB-CB 4.5Å; D441-H444 VanDerWaalsContact O-CB 3.23Å; D441-H444 WeakPolarHBondContact O-CB 3.22Å; D441-H444 PolarHBondContact O-N 3.16Å; D441-H444 VanDerWaalsContact O-N 3.07Å; D441-H473 IonicContact OD1-CD2 3.34Å; D441-H473 IonicContact OD1-NE2 2.72Å
442	V	98.7	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.6	-175	66.4	0	0	0	0	111.1	L389 H392 Y393 I439 H444 H473 V476	L389-V442 HydrophobicContact CD1-CB 3.99Å; L389-V442 HydrophobicContact CD1-CG1 4.42Å; L389-V442 HydrophobicContact CD1-CG2 3.67Å; H392-V442 HydrophobicContact CB-CG2 3.61Å; Y393-V442 HydrophobicContact CD2-CB 4.46Å; Y393-V442 HydrophobicContact CD2-CG2 4.27Å; Y393-V442 HydrophobicContact CE2-CB 3.91Å; Y393-V442 HydrophobicContact CE2-CG2 4.13Å; Y393-V442 PolarHBondContact OH-N 2.96Å; I439-V442 HydrophobicContact CB-CG1 4.39Å; I439-V442 VanDerWaalsContact O-CG1 3.32Å; I439-V442 WeakPolarHBondContact O-CG1 3.34Å; I439-V442 PolarHBondContact O-N 3.44Å; I439-V442 VanDerWaalsContact O-N 3.1Å; V442-H444 VanDerWaalsContact C-N 3.29Å; V442-H444 PolarHBondContact O-N 3.48Å; V442-H473 HydrophobicContact CG1-CB 4.35Å; V442-H473 VanDerWaalsContact CG1-O 3.27Å; V442-H473 WeakPolarHBondContact CG1-O 3.48Å; V442-H473 PolarHBondContact O-ND1 3.24Å; V442-V476 HydrophobicContact CG1-CB 3.92Å; V442-V476 HydrophobicContact CG1-CG1 3.85Å; V442-V476 HydrophobicContact CG2-CG1 3.89Å
443	D	98.3	Very high	98.4	Very high	25 Å²	25	15.4 Å²	15.4	13%	0.134	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	24.2	-176.4	-156.7	46	0	0	0	114.5	H392 H394 D441 H472 V476	H392-D443 WeakPolarHBondContact O-CA 3.38Å; H392-D443 PolarHBondContact O-N 3.03Å; H392-D443 VanDerWaalsContact O-N 3.16Å; H394-D443 IonicContact CD2-OD1 2.69Å; H394-D443 IonicContact CE1-OD1 2.74Å; H394-D443 IonicContact NE2-OD1 3.16Å; H394-D443 PolarHBondContact NE2-OD1 2.85Å; D441-D443 PolarHBondContact O-N 3.13Å; D443-H472 IonicContact OD2-CD2 2.8Å; D443-H472 IonicContact OD2-CE1 3.47Å; D443-H472 PolarHBondContact OD2-CE1 3.45Å; D443-H472 IonicContact OD2-NE2 3.81Å; D443-H472 PolarHBondContact OD2-NE2 3.04Å; D443-V476 HydrophobicContact CB-CG1 4.35Å; D443-V476 HydrophobicContact CB-CG2 4.19Å
444	H	98.6	Very high	98.3	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.042	11%	0.105	C	C	.	.			trans	-63	126.3	173.7	-170.2	-84.9	0	0	0	112.3	H400 D441 V442 G446 H473 E579	H400-H444 HydrophobicContact CB-CB 3.88Å; H400-H444 WeakPolarHBondContact CB-ND1 3.27Å; H400-H444 AromaticContact CE1-CE1 3.98Å; H400-H444 AromaticContact CG-CE1 3.65Å; H400-H444 AromaticContact CG-CG 3.99Å; H400-H444 AromaticContact CG-ND1 3.65Å; H400-H444 AromaticContact ND1-CE1 3.37Å; H400-H444 PolarHBondContact ND1-CE1 2.9Å; H400-H444 AromaticContact ND1-ND1 3.72Å; H400-H444 AromaticContact ND1-NE2 3.95Å; D441-H444 HydrophobicContact CB-CB 4.5Å; D441-H444 VanDerWaalsContact O-CB 3.23Å; D441-H444 WeakPolarHBondContact O-CB 3.22Å; D441-H444 PolarHBondContact O-N 3.16Å; D441-H444 VanDerWaalsContact O-N 3.07Å; V442-H444 VanDerWaalsContact C-N 3.29Å; V442-H444 PolarHBondContact O-N 3.48Å; H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 WeakPolarHBondContact ND1-CA 3.32Å; H444-G446 PolarHBondContact ND1-N 2.94Å; H444-G446 PolarHBondContact O-N 3Å; H444-H473 AromaticContact CD2-CE1 3.94Å; H444-H473 AromaticContact CD2-NE2 3.75Å; H444-E579 IonicContact CE1-OE1 2.9Å; H444-E579 IonicContact ND1-OE1 3.46Å
445	P	97.9	Very high	98.2	Very high	36 Å²	36	21.1 Å²	21.1	23%	0.234	12%	0.117	C	C	.	.			trans	-82.9	2.4	-173.2	33	-36.3	0	0	0	114.8	V447 L452 L469	P445-V447 HydrophobicContact CB-CG2 4.16Å; P445-V447 HydrophobicContact CG-CG2 3.74Å; P445-L452 HydrophobicContact CG-CD2 4.49Å; P445-L469 VanDerWaalsContact CD-CD2 3.45Å; P445-L469 HydrophobicContact CG-CD2 3.96Å
446	G	97.8	Very high	98.1	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	71.8	33.5	-177.4	0	0	0	0	0	113.8	H444 E579	H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 WeakPolarHBondContact ND1-CA 3.32Å; H444-G446 PolarHBondContact ND1-N 2.94Å; H444-G446 PolarHBondContact O-N 3Å; G446-E579 VanDerWaalsContact CA-OE1 3.25Å; G446-E579 WeakPolarHBondContact CA-OE1 3.32Å
447	V	98.3	Very high	98	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.036	16%	0.155	C	C	.	.	S	Bend	trans	-147.7	151.5	175.8	-66.3	0	0	0	0	109.7	P445 F451 L452 Q583 K586	P445-V447 HydrophobicContact CB-CG2 4.16Å; P445-V447 HydrophobicContact CG-CG2 3.74Å; V447-F451 HydrophobicContact CB-CB 4.21Å; V447-F451 HydrophobicContact CB-CD1 3.55Å; V447-F451 HydrophobicContact CB-CE1 4.04Å; V447-F451 HydrophobicContact CB-CG 3.99Å; V447-F451 HydrophobicContact CG1-CD1 3.82Å; V447-F451 HydrophobicContact CG1-CE1 3.8Å; V447-F451 HydrophobicContact CG1-CG 4.3Å; V447-F451 HydrophobicContact CG1-CZ 4.28Å; V447-F451 HydrophobicContact CG2-CD1 3.58Å; V447-F451 HydrophobicContact CG2-CE1 3.99Å; V447-F451 HydrophobicContact CG2-CG 4.45Å; V447-L452 HydrophobicContact CG2-CD2 3.83Å; V447-L452 HydrophobicContact CG2-CG 4.2Å; V447-Q583 VanDerWaalsContact CA-OE1 3.26Å; V447-Q583 HydrophobicContact CB-CG 4.4Å; V447-Q583 HydrophobicContact CG1-CB 4.24Å; V447-Q583 HydrophobicContact CG1-CG 4.04Å; V447-K586 HydrophobicContact CG1-CD 3.95Å
448	S	98.2	Very high	97.8	Very high	44 Å²	44	35 Å²	35	31%	0.308	19%	0.188	S	C	.	.			trans	-73.6	161.9	-175.9	72.8	0	0	0	0	114.6	Q450 F451 L452	S448-Q450 PolarHBondContact O-N 3.34Å; S448-F451 WeakPolarHBondContact O-CB 3.31Å; S448-F451 PolarHBondContact O-N 3.05Å; S448-F451 VanDerWaalsContact O-N 3.1Å; S448-F451 PolarHBondContact OG-N 3.27Å; S448-L452 PolarHBondContact O-N 3.23Å; S448-L452 VanDerWaalsContact O-N 3.11Å
449	N	97.8	Very high	97.7	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	20%	0.197	C	C	.	.	H	α-helix	trans	-49.4	-45.6	169.3	-80.7	-30	0	0	0	111.7	F451 L452 I453 V468 L469 E470	N449-F451 VanDerWaalsContact C-N 3.33Å; N449-F451 PolarHBondContact O-N 3.41Å; N449-L452 WeakPolarHBondContact O-CB 3.44Å; N449-L452 PolarHBondContact O-N 2.85Å; N449-L452 VanDerWaalsContact O-N 3.16Å; N449-I453 VanDerWaalsContact O-CG1 3.27Å; N449-I453 WeakPolarHBondContact O-CG1 3.43Å; N449-I453 PolarHBondContact O-N 3.02Å; N449-V468 WeakPolarHBondContact OD1-CB 3.47Å; N449-V468 PolarHBondContact OD1-N 3.42Å; N449-L469 VanDerWaalsContact OD1-CB 3.25Å; N449-L469 WeakPolarHBondContact OD1-CB 3.33Å; N449-L469 WeakPolarHBondContact OD1-CD1 3.33Å; N449-L469 WeakPolarHBondContact OD1-CG 3.41Å; N449-L469 PolarHBondContact OD1-N 2.76Å; N449-E470 PolarHBondContact ND2-OE1 3.01Å; N449-E470 VanDerWaalsContact ND2-OE1 3.15Å; N449-E470 PolarHBondContact ND2-OE2 3.06Å; N449-E470 VanDerWaalsContact ND2-OE2 3.08Å
450	Q	97.8	Very high	97.6	Very high	101 Å²	101	36.7 Å²	36.7	47%	0.472	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-38.2	-179.5	-168.6	62.4	56.1	0	0	112.7	S448 I453 N454	S448-Q450 PolarHBondContact O-N 3.34Å; Q450-I453 PolarHBondContact O-N 2.71Å; Q450-N454 PolarHBondContact NE2-OD1 2.98Å; Q450-N454 WeakPolarHBondContact O-CB 3.03Å; Q450-N454 PolarHBondContact O-N 2.81Å; Q450-N454 PolarHBondContact O-ND2 3.36Å; Q450-N454 PolarHBondContact O-OD1 3.47Å
451	F	98.1	Very high	97.4	Very high	6 Å²	6	42 Å²	42	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-42.5	175	178.1	-87.7	0	0	0	111.5	V447 S448 N449 I453 N454 T455 Q583 K586 E587 M592	V447-F451 HydrophobicContact CB-CB 4.21Å; V447-F451 HydrophobicContact CB-CD1 3.55Å; V447-F451 HydrophobicContact CB-CE1 4.04Å; V447-F451 HydrophobicContact CB-CG 3.99Å; V447-F451 HydrophobicContact CG1-CD1 3.82Å; V447-F451 HydrophobicContact CG1-CE1 3.8Å; V447-F451 HydrophobicContact CG1-CG 4.3Å; V447-F451 HydrophobicContact CG1-CZ 4.28Å; V447-F451 HydrophobicContact CG2-CD1 3.58Å; V447-F451 HydrophobicContact CG2-CE1 3.99Å; V447-F451 HydrophobicContact CG2-CG 4.45Å; S448-F451 WeakPolarHBondContact O-CB 3.31Å; S448-F451 PolarHBondContact O-N 3.05Å; S448-F451 VanDerWaalsContact O-N 3.1Å; S448-F451 PolarHBondContact OG-N 3.27Å; N449-F451 VanDerWaalsContact C-N 3.33Å; N449-F451 PolarHBondContact O-N 3.41Å; F451-I453 VanDerWaalsContact C-N 3.32Å; F451-I453 PolarHBondContact O-N 3.11Å; F451-N454 PolarHBondContact O-N 2.98Å; F451-T455 HydrophobicContact CD1-CG2 4.32Å; F451-T455 HydrophobicContact CD2-CG2 4.47Å; F451-T455 HydrophobicContact CE1-CG2 4.14Å; F451-T455 HydrophobicContact CE2-CG2 4.27Å; F451-T455 HydrophobicContact CZ-CG2 4.14Å; F451-T455 WeakPolarHBondContact O-CB 3.39Å; F451-T455 WeakPolarHBondContact O-CG2 3.46Å; F451-T455 PolarHBondContact O-N 2.72Å; F451-T455 PolarHBondContact O-OG1 3.1Å; F451-Q583 HydrophobicContact CD2-CG 3.94Å; F451-Q583 HydrophobicContact CE2-CG 4.36Å; F451-Q583 HydrophobicContact CG-CG 4.34Å; F451-K586 HydrophobicContact CE2-CB 4.16Å; F451-K586 HydrophobicContact CZ-CB 3.94Å; F451-K586 HydrophobicContact CZ-CD 4.3Å; F451-E587 HydrophobicContact CD2-CG 3.6Å; F451-E587 HydrophobicContact CE2-CG 3.57Å; F451-M592 HydrophobicContact CD2-CE 4.48Å; F451-M592 HydrophobicContact CE2-SD 4.5Å
452	L	97.8	Very high	97.2	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-39.4	177	-68.7	-179.4	0	0	0	112.5	P445 V447 S448 N449 T455 N456 S457 L459 A460 V468 L469	P445-L452 HydrophobicContact CG-CD2 4.49Å; V447-L452 HydrophobicContact CG2-CD2 3.83Å; V447-L452 HydrophobicContact CG2-CG 4.2Å; S448-L452 PolarHBondContact O-N 3.23Å; S448-L452 VanDerWaalsContact O-N 3.11Å; N449-L452 WeakPolarHBondContact O-CB 3.44Å; N449-L452 PolarHBondContact O-N 2.85Å; N449-L452 VanDerWaalsContact O-N 3.16Å; L452-T455 PolarHBondContact O-OG1 2.93Å; L452-N456 PolarHBondContact O-N 2.9Å; L452-S457 WeakPolarHBondContact CB-OG 3.36Å; L452-S457 WeakPolarHBondContact O-CB 3.38Å; L452-S457 PolarHBondContact O-N 3.3Å; L452-S457 PolarHBondContact O-OG 3.43Å; L452-L459 HydrophobicContact CD1-CD1 4.3Å; L452-A460 HydrophobicContact CB-CB 4.41Å; L452-A460 WeakPolarHBondContact O-CB 3.31Å; L452-V468 HydrophobicContact CD1-CG1 4.03Å; L452-L469 HydrophobicContact CD1-CD1 4.36Å; L452-L469 HydrophobicContact CD1-CD2 3.7Å; L452-L469 HydrophobicContact CD1-CG 3.82Å
453	I	97.6	Very high	97.1	Very high	39 Å²	39	47.4 Å²	47.4	20%	0.2	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-53.1	176.4	-65	163.4	0	0	0	110.1	N449 Q450 F451 T455 N456 A460 D465 V468	N449-I453 VanDerWaalsContact O-CG1 3.27Å; N449-I453 WeakPolarHBondContact O-CG1 3.43Å; N449-I453 PolarHBondContact O-N 3.02Å; Q450-I453 PolarHBondContact O-N 2.71Å; F451-I453 VanDerWaalsContact C-N 3.32Å; F451-I453 PolarHBondContact O-N 3.11Å; I453-T455 PolarHBondContact O-N 2.82Å; I453-N456 PolarHBondContact O-N 3.34Å; I453-A460 HydrophobicContact CG1-CB 4.21Å; I453-D465 HydrophobicContact CD1-CB 3.94Å; I453-D465 HydrophobicContact CG1-CB 3.95Å; I453-D465 HydrophobicContact CG2-CB 4.43Å; I453-V468 HydrophobicContact CG1-CG2 4.45Å
454	N	96.9	Very high	97	Very high	82 Å²	82	52.3 Å²	52.3	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-25.7	-178.3	-70	-8.8	0	0	0	112.9	Q450 F451 M592	Q450-N454 PolarHBondContact NE2-OD1 2.98Å; Q450-N454 WeakPolarHBondContact O-CB 3.03Å; Q450-N454 PolarHBondContact O-N 2.81Å; Q450-N454 PolarHBondContact O-ND2 3.36Å; Q450-N454 PolarHBondContact O-OD1 3.47Å; F451-N454 PolarHBondContact O-N 2.98Å; N454-M592 HydrophobicContact CB-CE 3.56Å
455	T	96.7	Very high	96.9	Very high	38 Å²	38	55.8 Å²	55.8	23%	0.233	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	3	-179.2	59.7	0	0	0	0	113.4	F451 L452 I453 S457 M592	F451-T455 HydrophobicContact CD1-CG2 4.32Å; F451-T455 HydrophobicContact CD2-CG2 4.47Å; F451-T455 HydrophobicContact CE1-CG2 4.14Å; F451-T455 HydrophobicContact CE2-CG2 4.27Å; F451-T455 HydrophobicContact CZ-CG2 4.14Å; F451-T455 WeakPolarHBondContact O-CB 3.39Å; F451-T455 WeakPolarHBondContact O-CG2 3.46Å; F451-T455 PolarHBondContact O-N 2.72Å; F451-T455 PolarHBondContact O-OG1 3.1Å; L452-T455 PolarHBondContact O-OG1 2.93Å; I453-T455 PolarHBondContact O-N 2.82Å; T455-S457 PolarHBondContact O-N 2.95Å; T455-M592 HydrophobicContact CG2-CE 3.97Å; T455-M592 HydrophobicContact CG2-SD 3.66Å
456	N	96.1	Very high	96.8	Very high	118 Å²	118	60 Å²	60	63%	0.631	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43.5	-177.2	-59.3	-90	0	0	0	112.1	L452 I453	L452-N456 PolarHBondContact O-N 2.9Å; I453-N456 PolarHBondContact O-N 3.34Å
457	S	96.4	Very high	96.7	Very high	24 Å²	24	60.5 Å²	60.5	17%	0.168	31%	0.314	C	S	.	.			trans	-62.9	156	-179.9	69.1	0	0	0	0	111.7	L452 T455 L459 A460 L461	L452-S457 WeakPolarHBondContact CB-OG 3.36Å; L452-S457 WeakPolarHBondContact O-CB 3.38Å; L452-S457 PolarHBondContact O-N 3.3Å; L452-S457 PolarHBondContact O-OG 3.43Å; T455-S457 PolarHBondContact O-N 2.95Å; S457-L459 PolarHBondContact O-N 2.97Å; S457-A460 PolarHBondContact O-N 3.15Å; S457-A460 VanDerWaalsContact O-N 3.14Å; S457-A460 WeakPolarHBondContact OG-CB 3.31Å; S457-A460 PolarHBondContact OG-N 2.9Å; S457-L461 WeakPolarHBondContact O-CG 3.49Å; S457-L461 PolarHBondContact O-N 3.48Å; S457-L461 VanDerWaalsContact O-N 3.07Å
458	E	96.1	Very high	96.7	Very high	150 Å²	150	60.2 Å²	60.2	70%	0.701	31%	0.312	S	S	*	.	H	α-helix	trans	-57.4	-35.5	176.6	-65.4	-176.1	170.2	0	0	112.2	M462	E458-M462 VanDerWaalsContact O-CB 3.23Å; E458-M462 WeakPolarHBondContact O-CB 3.38Å; E458-M462 PolarHBondContact O-N 2.77Å
459	L	95.5	Very high	96.8	Very high	35 Å²	35	58.4 Å²	58.4	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-46.7	176.6	-63.7	-177.7	0	0	0	111.6	L452 S457 L461 M462 Y463 V468	L452-L459 HydrophobicContact CD1-CD1 4.3Å; S457-L459 PolarHBondContact O-N 2.97Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.46Å; L459-M462 HydrophobicContact CD2-CE 3.63Å; L459-M462 PolarHBondContact O-N 3.11Å; L459-Y463 HydrophobicContact CD2-CE2 4.42Å; L459-Y463 WeakPolarHBondContact O-CD2 3.03Å; L459-Y463 PolarHBondContact O-N 2.98Å; L459-V468 VanDerWaalsContact C-CG1 3.49Å; L459-V468 HydrophobicContact CB-CG1 3.71Å
460	A	96.4	Very high	96.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-43.2	178.8	0	0	0	0	0	111.4	L452 I453 S457 Y463 N464 D465 V468	L452-A460 HydrophobicContact CB-CB 4.41Å; L452-A460 WeakPolarHBondContact O-CB 3.31Å; I453-A460 HydrophobicContact CG1-CB 4.21Å; S457-A460 PolarHBondContact O-N 3.15Å; S457-A460 VanDerWaalsContact O-N 3.14Å; S457-A460 WeakPolarHBondContact OG-CB 3.31Å; S457-A460 PolarHBondContact OG-N 2.9Å; A460-Y463 PolarHBondContact O-N 2.65Å; A460-N464 WeakPolarHBondContact O-CA 3.35Å; A460-N464 PolarHBondContact O-N 3.42Å; A460-D465 PolarHBondContact O-N 2.85Å; A460-D465 VanDerWaalsContact O-N 3.1Å; A460-V468 HydrophobicContact CB-CG2 4.45Å
461	L	95.1	Very high	96.8	Very high	111 Å²	111	55.4 Å²	55.4	58%	0.581	29%	0.286	S	S	*	.	H	α-helix	trans	-64.5	-39.8	174.8	-63.8	175.6	0	0	0	112.6	S457 L459	S457-L461 WeakPolarHBondContact O-CG 3.49Å; S457-L461 PolarHBondContact O-N 3.48Å; S457-L461 VanDerWaalsContact O-N 3.07Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.46Å
462	M	94.9	Very high	96.9	Very high	86 Å²	86	55.3 Å²	55.3	42%	0.424	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-38.6	179.7	177.8	162.1	64.7	0	0	112.3	E458 L459	E458-M462 VanDerWaalsContact O-CB 3.23Å; E458-M462 WeakPolarHBondContact O-CB 3.38Å; E458-M462 PolarHBondContact O-N 2.77Å; L459-M462 HydrophobicContact CD2-CE 3.63Å; L459-M462 PolarHBondContact O-N 3.11Å
463	Y	96.4	Very high	96.9	Very high	40 Å²	40	54.9 Å²	54.9	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-101.3	7.4	-177	-63.6	-61.7	0	0	0	114.2	L459 A460 D465 E466 V468 N471 H472 A475	L459-Y463 HydrophobicContact CD2-CE2 4.42Å; L459-Y463 WeakPolarHBondContact O-CD2 3.03Å; L459-Y463 PolarHBondContact O-N 2.98Å; A460-Y463 PolarHBondContact O-N 2.65Å; Y463-D465 VanDerWaalsContact C-N 3.28Å; Y463-D465 PolarHBondContact O-N 2.69Å; Y463-E466 PolarHBondContact O-N 3.43Å; Y463-V468 HydrophobicContact CD2-CG1 4.14Å; Y463-V468 VanDerWaalsContact CD2-O 3.24Å; Y463-V468 WeakPolarHBondContact CD2-O 3.12Å; Y463-N471 HydrophobicContact CD1-CB 3.42Å; Y463-N471 VanDerWaalsContact CD1-CB 3.42Å; Y463-N471 HydrophobicContact CD2-CB 4.3Å; Y463-N471 HydrophobicContact CE1-CB 3.5Å; Y463-N471 HydrophobicContact CE2-CB 4.37Å; Y463-N471 HydrophobicContact CG-CB 3.84Å; Y463-N471 PolarHBondContact OH-O 3.42Å; Y463-H472 HydrophobicContact CE2-CB 3.68Å; Y463-H472 WeakPolarHBondContact OH-CA 3.47Å; Y463-A475 VanDerWaalsContact OH-CB 3.32Å; Y463-A475 WeakPolarHBondContact OH-CB 3.4Å
464	N	96.6	Very high	96.9	Very high	127 Å²	127	53.5 Å²	53.5	68%	0.679	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	44.6	175.8	-48.5	-79.8	0	0	0	112.6	A460 E466	A460-N464 WeakPolarHBondContact O-CA 3.35Å; A460-N464 PolarHBondContact O-N 3.42Å; N464-E466 PolarHBondContact O-N 3.39Å
465	D	96.4	Very high	97	Very high	83 Å²	83	51.1 Å²	51.1	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	5.1	177	-52.2	-30.4	0	0	0	116.3	I453 A460 Y463	I453-D465 HydrophobicContact CD1-CB 3.94Å; I453-D465 HydrophobicContact CG1-CB 3.95Å; I453-D465 HydrophobicContact CG2-CB 4.43Å; A460-D465 PolarHBondContact O-N 2.85Å; A460-D465 VanDerWaalsContact O-N 3.1Å; Y463-D465 VanDerWaalsContact C-N 3.28Å; Y463-D465 PolarHBondContact O-N 2.69Å
466	E	95.1	Very high	97.1	Very high	125 Å²	125	49.4 Å²	49.4	58%	0.584	26%	0.257	S	S	*	.	S	Bend	trans	-104.7	115.4	-178.8	-73.1	-70.6	151.7	0	0	111.3	Y463 N464 V468 N471	Y463-E466 PolarHBondContact O-N 3.43Å; N464-E466 PolarHBondContact O-N 3.39Å; E466-V468 VanDerWaalsContact C-N 3.26Å; E466-V468 PolarHBondContact O-N 3.15Å; E466-N471 PolarHBondContact O-ND2 3.4Å; E466-N471 VanDerWaalsContact O-ND2 3.09Å
467	S	97.2	Very high	97.1	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	23%	0.227	C	C	.	.	S	Bend	trans	43.2	53.9	179.4	-52.8	0	0	0	0	111.8	L469 E470 N471 D512	S467-L469 PolarHBondContact O-N 2.97Å; S467-E470 WeakPolarHBondContact CA-OE2 3.36Å; S467-E470 WeakPolarHBondContact CB-OE2 3.46Å; S467-E470 PolarHBondContact O-N 3.11Å; S467-N471 WeakPolarHBondContact O-CB 3.46Å; S467-N471 PolarHBondContact O-N 3.43Å; S467-N471 PolarHBondContact O-ND2 2.94Å; S467-D512 WeakPolarHBondContact CB-OD2 3.43Å; S467-D512 PolarHBondContact OG-OD2 3.4Å
468	V	98.4	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-50.6	-165.4	173.7	0	0	0	0	111	N449 L452 I453 L459 A460 Y463 E466 H472	N449-V468 WeakPolarHBondContact OD1-CB 3.47Å; N449-V468 PolarHBondContact OD1-N 3.42Å; L452-V468 HydrophobicContact CD1-CG1 4.03Å; I453-V468 HydrophobicContact CG1-CG2 4.45Å; L459-V468 VanDerWaalsContact C-CG1 3.49Å; L459-V468 HydrophobicContact CB-CG1 3.71Å; A460-V468 HydrophobicContact CB-CG2 4.45Å; Y463-V468 HydrophobicContact CD2-CG1 4.14Å; Y463-V468 VanDerWaalsContact CD2-O 3.24Å; Y463-V468 WeakPolarHBondContact CD2-O 3.12Å; E466-V468 VanDerWaalsContact C-N 3.26Å; E466-V468 PolarHBondContact O-N 3.15Å; V468-H472 WeakPolarHBondContact O-CB 3.13Å; V468-H472 PolarHBondContact O-N 3.35Å
469	L	98.6	Very high	97.3	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-45.3	-180	-76.1	169.1	0	0	0	111.5	P445 N449 L452 S467 N471 H472 H473	P445-L469 VanDerWaalsContact CD-CD2 3.45Å; P445-L469 HydrophobicContact CG-CD2 3.96Å; N449-L469 VanDerWaalsContact OD1-CB 3.25Å; N449-L469 WeakPolarHBondContact OD1-CB 3.33Å; N449-L469 WeakPolarHBondContact OD1-CD1 3.33Å; N449-L469 WeakPolarHBondContact OD1-CG 3.41Å; N449-L469 PolarHBondContact OD1-N 2.76Å; L452-L469 HydrophobicContact CD1-CD1 4.36Å; L452-L469 HydrophobicContact CD1-CD2 3.7Å; L452-L469 HydrophobicContact CD1-CG 3.82Å; S467-L469 PolarHBondContact O-N 2.97Å; L469-N471 VanDerWaalsContact C-N 3.32Å; L469-N471 PolarHBondContact O-N 3.2Å; L469-H472 CarbonylContact O-C 3.4Å; L469-H472 WeakPolarHBondContact O-CA 3.43Å; L469-H472 VanDerWaalsContact O-CB 3.25Å; L469-H472 WeakPolarHBondContact O-CB 3.02Å; L469-H472 PolarHBondContact O-N 2.93Å; L469-H473 PolarHBondContact O-CD2 3.37Å; L469-H473 PolarHBondContact O-N 3.29Å; L469-H473 PolarHBondContact O-NE2 3.01Å
470	E	98.7	Very high	97.3	Very high	17 Å²	17	38.6 Å²	38.6	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-37.4	-175.3	-57.7	75.1	-155.3	0	0	111.5	N449 S467 H472 L474 L509 D512	N449-E470 PolarHBondContact ND2-OE1 3.01Å; N449-E470 VanDerWaalsContact ND2-OE1 3.15Å; N449-E470 PolarHBondContact ND2-OE2 3.06Å; N449-E470 VanDerWaalsContact ND2-OE2 3.08Å; S467-E470 WeakPolarHBondContact CA-OE2 3.36Å; S467-E470 WeakPolarHBondContact CB-OE2 3.46Å; S467-E470 PolarHBondContact O-N 3.11Å; E470-H472 VanDerWaalsContact C-N 3.34Å; E470-L474 WeakPolarHBondContact O-CG 3.45Å; E470-L474 PolarHBondContact O-N 3.03Å; E470-L509 HydrophobicContact CB-CD2 4.1Å; E470-D512 HydrophobicContact CG-CB 3.81Å
471	N	98.5	Very high	97.2	Very high	52 Å²	52	39 Å²	39	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-37.5	170.3	-80.9	-70	0	0	0	112.5	Y463 E466 S467 L469 A475	Y463-N471 HydrophobicContact CD1-CB 3.42Å; Y463-N471 VanDerWaalsContact CD1-CB 3.42Å; Y463-N471 HydrophobicContact CD2-CB 4.3Å; Y463-N471 HydrophobicContact CE1-CB 3.5Å; Y463-N471 HydrophobicContact CE2-CB 4.37Å; Y463-N471 HydrophobicContact CG-CB 3.84Å; Y463-N471 PolarHBondContact OH-O 3.42Å; E466-N471 PolarHBondContact O-ND2 3.4Å; E466-N471 VanDerWaalsContact O-ND2 3.09Å; S467-N471 WeakPolarHBondContact O-CB 3.46Å; S467-N471 PolarHBondContact O-N 3.43Å; S467-N471 PolarHBondContact O-ND2 2.94Å; L469-N471 VanDerWaalsContact C-N 3.32Å; L469-N471 PolarHBondContact O-N 3.2Å; N471-A475 WeakPolarHBondContact O-CB 3.47Å; N471-A475 PolarHBondContact O-N 3.12Å
472	H	98.5	Very high	97.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-47.7	176.8	-173.6	58.8	0	0	0	111.9	D443 Y463 V468 L469 E470 L474 A475 V476	D443-H472 IonicContact OD2-CD2 2.8Å; D443-H472 IonicContact OD2-CE1 3.47Å; D443-H472 PolarHBondContact OD2-CE1 3.45Å; D443-H472 IonicContact OD2-NE2 3.81Å; D443-H472 PolarHBondContact OD2-NE2 3.04Å; Y463-H472 HydrophobicContact CE2-CB 3.68Å; Y463-H472 WeakPolarHBondContact OH-CA 3.47Å; V468-H472 WeakPolarHBondContact O-CB 3.13Å; V468-H472 PolarHBondContact O-N 3.35Å; L469-H472 CarbonylContact O-C 3.4Å; L469-H472 WeakPolarHBondContact O-CA 3.43Å; L469-H472 VanDerWaalsContact O-CB 3.25Å; L469-H472 WeakPolarHBondContact O-CB 3.02Å; L469-H472 PolarHBondContact O-N 2.93Å; E470-H472 VanDerWaalsContact C-N 3.34Å; H472-L474 VanDerWaalsContact C-N 3.31Å; H472-L474 PolarHBondContact O-N 3.25Å; H472-A475 WeakPolarHBondContact O-CB 3.38Å; H472-A475 PolarHBondContact O-N 2.8Å; H472-V476 WeakPolarHBondContact O-CG2 3.18Å; H472-V476 PolarHBondContact O-N 3.42Å
473	H	98.7	Very high	97	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-56.2	-45.7	177.5	-57.8	-35.2	0	0	0	111.4	H440 D441 V442 H444 L469 G477 V508	H440-H473 WeakPolarHBondContact O-CB 3.29Å; H440-H473 PolarHBondContact O-CD2 2.83Å; D441-H473 IonicContact OD1-CD2 3.34Å; D441-H473 IonicContact OD1-NE2 2.72Å; V442-H473 HydrophobicContact CG1-CB 4.35Å; V442-H473 VanDerWaalsContact CG1-O 3.27Å; V442-H473 WeakPolarHBondContact CG1-O 3.48Å; V442-H473 PolarHBondContact O-ND1 3.24Å; H444-H473 AromaticContact CD2-CE1 3.94Å; H444-H473 AromaticContact CD2-NE2 3.75Å; L469-H473 PolarHBondContact O-CD2 3.37Å; L469-H473 PolarHBondContact O-N 3.29Å; L469-H473 PolarHBondContact O-NE2 3.01Å; H473-G477 PolarHBondContact O-N 3.23Å; H473-V508 HydrophobicContact CB-CG1 4.36Å
474	L	98.8	Very high	96.7	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-47.5	172.9	-78	167.2	0	0	0	112.7	I439 E470 H472 V476 F478 V504 I505 V508 L509	I439-L474 HydrophobicContact CD1-CD2 4.27Å; E470-L474 WeakPolarHBondContact O-CG 3.45Å; E470-L474 PolarHBondContact O-N 3.03Å; H472-L474 VanDerWaalsContact C-N 3.31Å; H472-L474 PolarHBondContact O-N 3.25Å; L474-V476 PolarHBondContact O-N 3.34Å; L474-F478 HydrophobicContact CD2-CD2 4.36Å; L474-F478 HydrophobicContact CD2-CE2 3.96Å; L474-F478 WeakPolarHBondContact O-CD2 3.31Å; L474-F478 PolarHBondContact O-N 3.47Å; L474-F478 VanDerWaalsContact O-N 3.1Å; L474-V504 HydrophobicContact CD2-CG1 3.94Å; L474-I505 HydrophobicContact CD1-CB 4.29Å; L474-I505 HydrophobicContact CD1-CG1 4.23Å; L474-I505 HydrophobicContact CD1-CG2 4.15Å; L474-I505 HydrophobicContact CD2-CB 4.47Å; L474-I505 HydrophobicContact CD2-CG1 4.03Å; L474-V508 HydrophobicContact CD1-CB 4.1Å; L474-V508 HydrophobicContact CD1-CG1 4.3Å; L474-V508 HydrophobicContact CD2-CB 3.76Å; L474-V508 HydrophobicContact CD2-CG1 4.26Å; L474-V508 HydrophobicContact CD2-CG2 3.85Å; L474-V508 HydrophobicContact CG-CB 3.77Å; L474-V508 HydrophobicContact CG-CG1 3.8Å; L474-V508 HydrophobicContact CG-CG2 4.32Å; L474-L509 HydrophobicContact CD1-CD2 4.02Å; L474-L509 HydrophobicContact CD1-CG 3.85Å
475	A	98.1	Very high	96.6	Very high	32 Å²	32	43.7 Å²	43.7	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-47	-178.4	0	0	0	0	0	111.2	I302 Y463 N471 H472 K479	I302-A475 HydrophobicContact CD1-CB 3.99Å; Y463-A475 VanDerWaalsContact OH-CB 3.32Å; Y463-A475 WeakPolarHBondContact OH-CB 3.4Å; N471-A475 WeakPolarHBondContact O-CB 3.47Å; N471-A475 PolarHBondContact O-N 3.12Å; H472-A475 WeakPolarHBondContact O-CB 3.38Å; H472-A475 PolarHBondContact O-N 2.8Å; A475-K479 WeakPolarHBondContact O-CB 3.48Å; A475-K479 PolarHBondContact O-N 3.31Å
476	V	98	Very high	96.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-54.8	177	173.8	0	0	0	0	110.6	I302 V442 D443 H472 L474 F478 K479 L480	I302-V476 HydrophobicContact CG2-CG2 4.36Å; V442-V476 HydrophobicContact CG1-CB 3.92Å; V442-V476 HydrophobicContact CG1-CG1 3.85Å; V442-V476 HydrophobicContact CG2-CG1 3.89Å; D443-V476 HydrophobicContact CB-CG1 4.35Å; D443-V476 HydrophobicContact CB-CG2 4.19Å; H472-V476 WeakPolarHBondContact O-CG2 3.18Å; H472-V476 PolarHBondContact O-N 3.42Å; L474-V476 PolarHBondContact O-N 3.34Å; V476-F478 VanDerWaalsContact C-N 3.31Å; V476-F478 PolarHBondContact O-N 2.88Å; V476-K479 WeakPolarHBondContact O-CA 3.4Å; V476-K479 WeakPolarHBondContact O-CB 3.32Å; V476-K479 PolarHBondContact O-N 3.38Å; V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 HydrophobicContact CG1-CG 4.33Å; V476-L480 WeakPolarHBondContact O-CG 3.23Å; V476-L480 PolarHBondContact O-N 3.05Å
477	G	97.8	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-42	-176.3	0	0	0	0	0	113.7	Y385 H473	Y385-G477 PolarHBondContact OH-O 2.8Å; H473-G477 PolarHBondContact O-N 3.23Å
478	F	98.4	Very high	96.7	Very high	21 Å²	21	35.2 Å²	35.2	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-76.5	-30.3	174.2	-80.6	-75.5	0	0	0	113.6	F435 L474 V476 L480 L481 H482 L500 R501 V504 I505	F435-F478 HydrophobicContact CE1-CE1 4.24Å; F435-F478 HydrophobicContact CE1-CZ 4.13Å; L474-F478 HydrophobicContact CD2-CD2 4.36Å; L474-F478 HydrophobicContact CD2-CE2 3.96Å; L474-F478 WeakPolarHBondContact O-CD2 3.31Å; L474-F478 PolarHBondContact O-N 3.47Å; L474-F478 VanDerWaalsContact O-N 3.1Å; V476-F478 VanDerWaalsContact C-N 3.31Å; V476-F478 PolarHBondContact O-N 2.88Å; F478-L480 VanDerWaalsContact C-N 3.33Å; F478-L481 HydrophobicContact CD1-CD1 3.79Å; F478-L481 HydrophobicContact CE1-CD1 4.41Å; F478-L481 WeakPolarHBondContact O-CB 3.43Å; F478-L481 PolarHBondContact O-N 2.92Å; F478-H482 PolarHBondContact O-ND1 2.92Å; F478-L500 HydrophobicContact CE1-CD2 4.48Å; F478-R501 HydrophobicContact CE1-CB 4.19Å; F478-R501 HydrophobicContact CE1-CG 4.11Å; F478-R501 HydrophobicContact CE2-CG 4.41Å; F478-R501 HydrophobicContact CZ-CB 4.14Å; F478-R501 HydrophobicContact CZ-CG 3.92Å; F478-V504 HydrophobicContact CE2-CB 4.21Å; F478-V504 HydrophobicContact CE2-CG1 3.71Å; F478-V504 HydrophobicContact CZ-CB 3.93Å; F478-V504 HydrophobicContact CZ-CG1 3.82Å; F478-V504 HydrophobicContact CZ-CG2 4.45Å; F478-I505 HydrophobicContact CE2-CG1 4.42Å
479	K	96.6	Very high	96.7	Very high	80 Å²	80	35.4 Å²	35.4	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-65.1	-39.6	177.2	178	59.2	-176.6	169.7	0	111.2	I302 V305 A475 V476 L481 H482	I302-K479 HydrophobicContact CD1-CB 4.37Å; I302-K479 HydrophobicContact CD1-CG 4.47Å; V305-K479 HydrophobicContact CG2-CG 4.31Å; A475-K479 WeakPolarHBondContact O-CB 3.48Å; A475-K479 PolarHBondContact O-N 3.31Å; V476-K479 WeakPolarHBondContact O-CA 3.4Å; V476-K479 WeakPolarHBondContact O-CB 3.32Å; V476-K479 PolarHBondContact O-N 3.38Å; K479-L481 PolarHBondContact O-N 3.36Å; K479-H482 WeakPolarHBondContact O-CB 3.3Å; K479-H482 PolarHBondContact O-N 3.04Å; K479-H482 PolarHBondContact O-ND1 3.36Å
480	L	95.7	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-26.8	179.5	-64.6	-179.7	0	0	0	113.4	V305 Y385 T388 L389 H392 V476 F478 H482 E483 C486	V305-L480 HydrophobicContact CG1-CD2 3.99Å; Y385-L480 HydrophobicContact CE2-CB 3.86Å; T388-L480 HydrophobicContact CG2-CD1 4.35Å; T388-L480 HydrophobicContact CG2-CD2 3.95Å; T388-L480 HydrophobicContact CG2-CG 4.48Å; L389-L480 HydrophobicContact CB-CD1 4.43Å; L389-L480 HydrophobicContact CD1-CD1 4.07Å; H392-L480 HydrophobicContact CB-CD1 4.36Å; H392-L480 VanDerWaalsContact CE1-CD2 3.42Å; H392-L480 WeakPolarHBondContact CE1-CD2 3.15Å; V476-L480 HydrophobicContact CG1-CD1 4.23Å; V476-L480 HydrophobicContact CG1-CG 4.33Å; V476-L480 WeakPolarHBondContact O-CG 3.23Å; V476-L480 PolarHBondContact O-N 3.05Å; F478-L480 VanDerWaalsContact C-N 3.33Å; L480-H482 PolarHBondContact O-N 3.03Å; L480-H482 VanDerWaalsContact O-N 3.1Å; L480-E483 WeakPolarHBondContact O-CB 3.49Å; L480-E483 PolarHBondContact O-N 2.69Å; L480-E483 VanDerWaalsContact O-N 3.09Å; L480-C486 WeakPolarHBondContact O-CB 3.32Å
481	L	95.6	Very high	96.6	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.047	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18	174	-64.6	166.8	0	0	0	113.4	Y385 F435 F478 K479 C486 D487 I488 F489	Y385-L481 HydrophobicContact CD2-CD2 3.74Å; Y385-L481 HydrophobicContact CD2-CG 4.38Å; Y385-L481 HydrophobicContact CE2-CD2 3.45Å; Y385-L481 VanDerWaalsContact CE2-CD2 3.45Å; Y385-L481 HydrophobicContact CE2-CG 3.74Å; Y385-L481 HydrophobicContact CG-CD2 4.46Å; F435-L481 HydrophobicContact CZ-CD1 4.4Å; F478-L481 HydrophobicContact CD1-CD1 3.79Å; F478-L481 HydrophobicContact CE1-CD1 4.41Å; F478-L481 WeakPolarHBondContact O-CB 3.43Å; F478-L481 PolarHBondContact O-N 2.92Å; K479-L481 PolarHBondContact O-N 3.36Å; L481-C486 WeakPolarHBondContact CD2-O 3.44Å; L481-D487 WeakPolarHBondContact O-CB 3.3Å; L481-D487 PolarHBondContact O-N 3.33Å; L481-I488 HydrophobicContact CD2-CD1 4.48Å; L481-I488 HydrophobicContact CD2-CG1 3.6Å; L481-F489 HydrophobicContact CD1-CD2 3.66Å; L481-F489 HydrophobicContact CD1-CE2 3.82Å; L481-F489 HydrophobicContact CD2-CD2 4.06Å; L481-F489 HydrophobicContact CD2-CE2 4.18Å
482	H	93.1	Very high	96.5	Very high	146 Å²	146	41 Å²	41	68%	0.676	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.2	179.4	-62.5	74.6	0	0	0	113.3	F478 K479 L480	F478-H482 PolarHBondContact O-ND1 2.92Å; K479-H482 WeakPolarHBondContact O-CB 3.3Å; K479-H482 PolarHBondContact O-N 3.04Å; K479-H482 PolarHBondContact O-ND1 3.36Å; L480-H482 PolarHBondContact O-N 3.03Å; L480-H482 VanDerWaalsContact O-N 3.1Å
483	E	91.8	Very high	96.5	Very high	68 Å²	68	44.7 Å²	44.7	32%	0.318	23%	0.225	S	C	.	.	S	Bend	trans	-71.3	165.2	172.2	-65.3	-58.6	143.8	0	0	111	L480 N485 C486	L480-E483 WeakPolarHBondContact O-CB 3.49Å; L480-E483 PolarHBondContact O-N 2.69Å; L480-E483 VanDerWaalsContact O-N 3.09Å; E483-N485 PolarHBondContact O-N 3.43Å; E483-C486 HydrophobicContact CB-CB 4.05Å; E483-C486 PolarHBondContact O-N 3.34Å
484	E	90.9	Very high	96.3	Very high	181 Å²	181	48.3 Å²	48.3	85%	0.846	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	129.4	-178.1	-170.9	174	-179.1	0	0	111	C486	E484-C486 PolarHBondContact O-N 2.74Å; E484-C486 PolarHBondContact O-SG 3.17Å; E484-C486 VanDerWaalsContact O-SG 3.37Å
485	N	94.3	Very high	96.1	Very high	68 Å²	68	55.5 Å²	55.5	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	34.2	-177.7	-159.4	28.3	0	0	0	115	D380 T381 T384 E483	D380-N485 PolarHBondContact OD2-ND2 3.12Å; T381-N485 WeakPolarHBondContact CA-O 3.38Å; T381-N485 WeakPolarHBondContact CG2-O 3.19Å; T381-N485 PolarHBondContact OG1-OD1 3.2Å; T384-N485 WeakPolarHBondContact CB-O 3.42Å; T384-N485 HydrophobicContact CG2-CB 4.41Å; E483-N485 PolarHBondContact O-N 3.43Å
486	C	95.9	Very high	96	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	27%	0.27	C	S	.	.			trans	-113.1	-7.7	-178.1	-74.9	0	0	0	0	114.8	Y385 L480 L481 E483 E484 I488	Y385-C486 HydrophobicContact CD2-CB 4.08Å; Y385-C486 VanDerWaalsContact CD2-O 3.23Å; Y385-C486 WeakPolarHBondContact CD2-O 3.42Å; L480-C486 WeakPolarHBondContact O-CB 3.32Å; L481-C486 WeakPolarHBondContact CD2-O 3.44Å; E483-C486 HydrophobicContact CB-CB 4.05Å; E483-C486 PolarHBondContact O-N 3.34Å; E484-C486 PolarHBondContact O-N 2.74Å; E484-C486 PolarHBondContact O-SG 3.17Å; E484-C486 VanDerWaalsContact O-SG 3.37Å; C486-I488 PolarHBondContact O-N 2.81Å
487	D	97.4	Very high	96	Very high	38 Å²	38	61.1 Å²	61.1	20%	0.203	29%	0.285	C	S	.	.			trans	-77.1	82.6	-178	-169.9	6.8	0	0	0	112.1	L481 F489 Q490 R497	L481-D487 WeakPolarHBondContact O-CB 3.3Å; L481-D487 PolarHBondContact O-N 3.33Å; D487-F489 PolarHBondContact O-N 2.91Å; D487-F489 VanDerWaalsContact O-N 3.1Å; D487-F489 WeakPolarHBondContact OD1-CA 3.12Å; D487-F489 PolarHBondContact OD1-N 3.18Å; D487-Q490 HydrophobicContact CB-CB 4.12Å; D487-Q490 WeakPolarHBondContact O-CB 3.49Å; D487-Q490 VanDerWaalsContact O-CG 3.27Å; D487-Q490 WeakPolarHBondContact O-CG 3.31Å; D487-Q490 PolarHBondContact O-N 3.05Å; D487-Q490 PolarHBondContact OD1-N 2.89Å; D487-Q490 WeakPolarHBondContact OD2-CA 3.33Å; D487-R497 VanDerWaalsContact CG-NH2 3.28Å; D487-R497 IonicContact OD1-CZ 3.35Å; D487-R497 IonicContact OD1-NH1 3.7Å; D487-R497 IonicContact OD1-NH2 2.92Å; D487-R497 PolarHBondContact OD1-NH2 3.12Å; D487-R497 IonicContact OD2-CZ 3.26Å; D487-R497 IonicContact OD2-NH1 2.83Å; D487-R497 PolarHBondContact OD2-NH1 3.33Å; D487-R497 IonicContact OD2-NH2 3.79Å; D487-R497 PolarHBondContact OD2-NH2 3.12Å
488	I	97.9	Very high	95.8	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.015	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.7	175	58.5	163	0	0	0	113.4	I377 T381 F382 Y385 F435 L481 C486	I377-I488 WeakPolarHBondContact CG1-O 3.35Å; I377-I488 HydrophobicContact CG2-CB 3.86Å; I377-I488 HydrophobicContact CG2-CG2 4.01Å; T381-I488 HydrophobicContact CG2-CG2 4.21Å; F382-I488 HydrophobicContact CB-CG2 4.34Å; F382-I488 HydrophobicContact CD2-CG2 4.22Å; Y385-I488 HydrophobicContact CD1-CD1 3.87Å; Y385-I488 HydrophobicContact CD1-CG1 4.28Å; Y385-I488 HydrophobicContact CD1-CG2 4.28Å; Y385-I488 HydrophobicContact CE1-CD1 4.07Å; Y385-I488 HydrophobicContact CG-CD1 4.46Å; Y385-I488 HydrophobicContact CG-CG1 4.39Å; Y385-I488 HydrophobicContact CG-CG2 4.02Å; F435-I488 HydrophobicContact CD2-CD1 4.04Å; F435-I488 HydrophobicContact CE2-CD1 3.97Å; L481-I488 HydrophobicContact CD2-CD1 4.48Å; L481-I488 HydrophobicContact CD2-CG1 3.6Å; C486-I488 PolarHBondContact O-N 2.81Å
489	F	98	Very high	95.7	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.022	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11.1	178.7	-56	-39.5	0	0	0	113.1	L431 F435 L481 D487 N491 L492 R497 L500	L431-F489 HydrophobicContact CD1-CE1 4.29Å; L431-F489 HydrophobicContact CD2-CD1 4.35Å; L431-F489 HydrophobicContact CD2-CE1 3.96Å; L431-F489 HydrophobicContact CG-CE1 4.25Å; F435-F489 HydrophobicContact CB-CZ 4.45Å; F435-F489 HydrophobicContact CD1-CE2 4.32Å; F435-F489 HydrophobicContact CD1-CZ 4.11Å; F435-F489 HydrophobicContact CD2-CE2 4.21Å; F435-F489 AromaticContact CD2-CZ 3.62Å; F435-F489 HydrophobicContact CD2-CZ 3.62Å; F435-F489 AromaticContact CE1-CE2 4Å; F435-F489 HydrophobicContact CE1-CE2 4Å; F435-F489 HydrophobicContact CE1-CZ 4.21Å; F435-F489 AromaticContact CE2-CE2 3.86Å; F435-F489 HydrophobicContact CE2-CE2 3.86Å; F435-F489 AromaticContact CE2-CZ 3.72Å; F435-F489 HydrophobicContact CE2-CZ 3.72Å; F435-F489 HydrophobicContact CG-CE2 4.41Å; F435-F489 AromaticContact CG-CZ 3.8Å; F435-F489 HydrophobicContact CG-CZ 3.8Å; F435-F489 AromaticContact CZ-CE2 3.76Å; F435-F489 HydrophobicContact CZ-CE2 3.76Å; F435-F489 HydrophobicContact CZ-CZ 4.03Å; L481-F489 HydrophobicContact CD1-CD2 3.66Å; L481-F489 HydrophobicContact CD1-CE2 3.82Å; L481-F489 HydrophobicContact CD2-CD2 4.06Å; L481-F489 HydrophobicContact CD2-CE2 4.18Å; D487-F489 PolarHBondContact O-N 2.91Å; D487-F489 VanDerWaalsContact O-N 3.1Å; D487-F489 WeakPolarHBondContact OD1-CA 3.12Å; D487-F489 PolarHBondContact OD1-N 3.18Å; F489-N491 PolarHBondContact O-N 3.05Å; F489-N491 VanDerWaalsContact O-N 3.14Å; F489-L492 HydrophobicContact CB-CD1 3.87Å; F489-L492 HydrophobicContact CB-CG 4.19Å; F489-L492 HydrophobicContact CD1-CD1 3.79Å; F489-L492 HydrophobicContact CG-CD1 4.02Å; F489-L492 WeakPolarHBondContact O-CB 3.36Å; F489-L492 PolarHBondContact O-N 3.45Å; F489-L492 VanDerWaalsContact O-N 3.09Å; F489-R497 PolarHBondContact O-NH1 3.07Å; F489-L500 HydrophobicContact CD1-CD1 4.15Å; F489-L500 HydrophobicContact CD2-CD2 4.13Å; F489-L500 HydrophobicContact CE1-CD1 3.77Å; F489-L500 HydrophobicContact CE1-CD2 4.39Å; F489-L500 HydrophobicContact CE2-CD1 4.49Å; F489-L500 HydrophobicContact CE2-CD2 3.65Å; F489-L500 HydrophobicContact CZ-CD1 3.96Å; F489-L500 HydrophobicContact CZ-CD2 3.79Å
490	Q	96.5	Very high	95.8	Very high	88 Å²	88	61 Å²	61	41%	0.411	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	-176.8	63.7	-175.6	-31.8	0	0	114	D487	D487-Q490 HydrophobicContact CB-CB 4.12Å; D487-Q490 WeakPolarHBondContact O-CB 3.49Å; D487-Q490 VanDerWaalsContact O-CG 3.27Å; D487-Q490 WeakPolarHBondContact O-CG 3.31Å; D487-Q490 PolarHBondContact O-N 3.05Å; D487-Q490 PolarHBondContact OD1-N 2.89Å; D487-Q490 WeakPolarHBondContact OD2-CA 3.33Å
491	N	97.2	Very high	95.9	Very high	89 Å²	89	66.1 Å²	66.1	48%	0.476	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	1.4	-177.1	-68.6	-41.1	0	0	0	114	R376 F489	R376-N491 HydrophobicContact CB-CB 4.15Å; R376-N491 PolarHBondContact O-ND2 3.5Å; F489-N491 PolarHBondContact O-N 3.05Å; F489-N491 VanDerWaalsContact O-N 3.14Å
492	L	97.4	Very high	96	Very high	15 Å²	15	69.3 Å²	69.3	8%	0.079	32%	0.324	C	S	.	.	S	Bend	trans	-76.2	145	172.5	-62	-171.1	0	0	0	110.9	F375 L428 L431 F489 Q496 R497 L500	F375-L492 HydrophobicContact CB-CD2 4.06Å; F375-L492 HydrophobicContact CD1-CD2 3.3Å; F375-L492 HydrophobicContact CE1-CD2 4.04Å; F375-L492 HydrophobicContact CG-CD2 4Å; L428-L492 HydrophobicContact CD1-CD1 4.38Å; L431-L492 HydrophobicContact CD2-CD1 4.5Å; F489-L492 HydrophobicContact CB-CD1 3.87Å; F489-L492 HydrophobicContact CB-CG 4.19Å; F489-L492 HydrophobicContact CD1-CD1 3.79Å; F489-L492 HydrophobicContact CG-CD1 4.02Å; F489-L492 WeakPolarHBondContact O-CB 3.36Å; F489-L492 PolarHBondContact O-N 3.45Å; F489-L492 VanDerWaalsContact O-N 3.09Å; L492-Q496 HydrophobicContact CB-CB 4.14Å; L492-R497 HydrophobicContact CB-CG 3.55Å; L492-R497 HydrophobicContact CD1-CG 4.27Å; L492-R497 HydrophobicContact CG-CG 4.48Å; L492-L500 HydrophobicContact CD1-CD1 3.98Å
493	T	97.6	Very high	96.2	Very high	80 Å²	80	62.6 Å²	62.6	49%	0.491	29%	0.294	S	S	.	.			trans	-64.4	157	170.8	63.9	0	0	0	0	111.2	R495 Q496 R497	T493-R495 PolarHBondContact O-N 3.45Å; T493-Q496 PolarHBondContact O-N 3.48Å; T493-Q496 VanDerWaalsContact O-N 3.09Å; T493-Q496 WeakPolarHBondContact OG1-CB 3.23Å; T493-Q496 VanDerWaalsContact OG1-CG 3.26Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.41Å; T493-Q496 PolarHBondContact OG1-N 2.8Å; T493-Q496 PolarHBondContact OG1-OE1 3.31Å; T493-R497 PolarHBondContact O-N 3.42Å
494	K	95.3	Very high	96.5	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-51.8	-43.6	177.3	-174	179.6	179.4	-178.8	0	112	I287 R497 Q498	I287-K494 VanDerWaalsContact O-CE 3.3Å; I287-K494 WeakPolarHBondContact O-CE 3.28Å; I287-K494 PolarHBondContact O-NZ 2.64Å; K494-R497 PolarHBondContact O-N 2.81Å; K494-Q498 WeakPolarHBondContact O-CG 3.32Å; K494-Q498 PolarHBondContact O-N 3.17Å
495	R	94.5	Very high	96.9	Very high	162 Å²	162	52.9 Å²	52.9	61%	0.611	25%	0.249	S	C	*	.	H	α-helix	trans	-63.8	-46.4	178.1	-165.3	176.5	-165.5	-164.3	-3.2	112.1	E284 T493 R497 Q498 S499	E284-R495 IonicContact OE1-CZ 3.59Å; E284-R495 VanDerWaalsContact OE1-CZ 3.31Å; E284-R495 IonicContact OE1-NE 2.66Å; E284-R495 PolarHBondContact OE1-NE 3.36Å; E284-R495 IonicContact OE1-NH2 3.3Å; E284-R495 PolarHBondContact OE1-NH2 3.49Å; T493-R495 PolarHBondContact O-N 3.45Å; R495-R497 PolarHBondContact O-N 3.39Å; R495-Q498 PolarHBondContact O-N 2.68Å; R495-S499 PolarHBondContact O-N 3.13Å; R495-S499 PolarHBondContact O-OG 3.32Å
496	Q	96.8	Very high	97.1	Very high	65 Å²	65	51 Å²	51	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-61.1	-42.2	175.3	-74.8	168.1	-49.1	0	0	112	L428 L492 T493 Q498 S499 L500	L428-Q496 HydrophobicContact CD1-CB 4.18Å; L428-Q496 HydrophobicContact CD1-CG 4.48Å; L428-Q496 HydrophobicContact CD2-CB 4.23Å; L428-Q496 HydrophobicContact CD2-CG 4.2Å; L492-Q496 HydrophobicContact CB-CB 4.14Å; T493-Q496 PolarHBondContact O-N 3.48Å; T493-Q496 VanDerWaalsContact O-N 3.09Å; T493-Q496 WeakPolarHBondContact OG1-CB 3.23Å; T493-Q496 VanDerWaalsContact OG1-CG 3.26Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.41Å; T493-Q496 PolarHBondContact OG1-N 2.8Å; T493-Q496 PolarHBondContact OG1-OE1 3.31Å; Q496-Q498 VanDerWaalsContact C-N 3.34Å; Q496-Q498 PolarHBondContact O-N 3.23Å; Q496-S499 PolarHBondContact O-N 3.46Å; Q496-L500 VanDerWaalsContact O-CB 3.27Å; Q496-L500 WeakPolarHBondContact O-CB 3.48Å; Q496-L500 PolarHBondContact O-N 3.17Å
497	R	97	Very high	97.2	Very high	85 Å²	85	50.9 Å²	50.9	32%	0.321	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-40.4	176.8	-67.1	-174.3	79.3	146.2	4.7	111.9	D487 F489 L492 T493 K494 R495 R501	D487-R497 VanDerWaalsContact CG-NH2 3.28Å; D487-R497 IonicContact OD1-CZ 3.35Å; D487-R497 IonicContact OD1-NH1 3.7Å; D487-R497 IonicContact OD1-NH2 2.92Å; D487-R497 PolarHBondContact OD1-NH2 3.12Å; D487-R497 IonicContact OD2-CZ 3.26Å; D487-R497 IonicContact OD2-NH1 2.83Å; D487-R497 PolarHBondContact OD2-NH1 3.33Å; D487-R497 IonicContact OD2-NH2 3.79Å; D487-R497 PolarHBondContact OD2-NH2 3.12Å; F489-R497 PolarHBondContact O-NH1 3.07Å; L492-R497 HydrophobicContact CB-CG 3.55Å; L492-R497 HydrophobicContact CD1-CG 4.27Å; L492-R497 HydrophobicContact CG-CG 4.48Å; T493-R497 PolarHBondContact O-N 3.42Å; K494-R497 PolarHBondContact O-N 2.81Å; R495-R497 PolarHBondContact O-N 3.39Å; R497-R501 WeakPolarHBondContact O-CB 3.36Å; R497-R501 PolarHBondContact O-N 3.03Å
498	Q	94.6	Very high	97.2	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-47.1	175.4	-73.9	166.9	-26.7	0	0	111.6	V285 K494 R495 Q496 R501 K502	V285-Q498 PolarHBondContact O-NE2 2.67Å; K494-Q498 WeakPolarHBondContact O-CG 3.32Å; K494-Q498 PolarHBondContact O-N 3.17Å; R495-Q498 PolarHBondContact O-N 2.68Å; Q496-Q498 VanDerWaalsContact C-N 3.34Å; Q496-Q498 PolarHBondContact O-N 3.23Å; Q498-R501 PolarHBondContact O-N 3.31Å; Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 PolarHBondContact O-N 3.5Å
499	S	95.9	Very high	97.3	Very high	53 Å²	53	51.4 Å²	51.4	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-47.7	177.1	-63.6	0	0	0	0	112.1	R495 Q496 R501 K502 L503	R495-S499 PolarHBondContact O-N 3.13Å; R495-S499 PolarHBondContact O-OG 3.32Å; Q496-S499 PolarHBondContact O-N 3.46Å; S499-R501 PolarHBondContact O-N 3.16Å; S499-K502 PolarHBondContact O-N 2.96Å; S499-L503 WeakPolarHBondContact O-CG 3.34Å; S499-L503 PolarHBondContact O-N 3.12Å
500	L	98.3	Very high	97.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-48.1	176.3	-178.8	149.1	0	0	0	110.8	L428 L431 A432 F478 F489 L492 Q496 K502 L503 V504	L428-L500 HydrophobicContact CD1-CB 4.17Å; L428-L500 HydrophobicContact CD1-CD1 4.08Å; L431-L500 HydrophobicContact CD2-CD1 3.55Å; L431-L500 HydrophobicContact CG-CD1 3.85Å; A432-L500 HydrophobicContact CB-CG 4.26Å; F478-L500 HydrophobicContact CE1-CD2 4.48Å; F489-L500 HydrophobicContact CD1-CD1 4.15Å; F489-L500 HydrophobicContact CD2-CD2 4.13Å; F489-L500 HydrophobicContact CE1-CD1 3.77Å; F489-L500 HydrophobicContact CE1-CD2 4.39Å; F489-L500 HydrophobicContact CE2-CD1 4.49Å; F489-L500 HydrophobicContact CE2-CD2 3.65Å; F489-L500 HydrophobicContact CZ-CD1 3.96Å; F489-L500 HydrophobicContact CZ-CD2 3.79Å; L492-L500 HydrophobicContact CD1-CD1 3.98Å; Q496-L500 VanDerWaalsContact O-CB 3.27Å; Q496-L500 WeakPolarHBondContact O-CB 3.48Å; Q496-L500 PolarHBondContact O-N 3.17Å; L500-K502 VanDerWaalsContact C-N 3.3Å; L500-K502 PolarHBondContact O-N 3.43Å; L500-L503 PolarHBondContact O-N 2.93Å; L500-V504 HydrophobicContact CD2-CG2 3.96Å; L500-V504 HydrophobicContact CG-CG2 4.3Å; L500-V504 VanDerWaalsContact O-CG2 3.22Å; L500-V504 WeakPolarHBondContact O-CG2 3.19Å; L500-V504 PolarHBondContact O-N 3.22Å
501	R	98.1	Very high	97.4	Very high	108 Å²	108	47.7 Å²	47.7	41%	0.408	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-43.6	178.5	179	172.3	176.7	76	1.3	111.7	F478 R497 Q498 S499 I505	F478-R501 HydrophobicContact CE1-CB 4.19Å; F478-R501 HydrophobicContact CE1-CG 4.11Å; F478-R501 HydrophobicContact CE2-CG 4.41Å; F478-R501 HydrophobicContact CZ-CB 4.14Å; F478-R501 HydrophobicContact CZ-CG 3.92Å; R497-R501 WeakPolarHBondContact O-CB 3.36Å; R497-R501 PolarHBondContact O-N 3.03Å; Q498-R501 PolarHBondContact O-N 3.31Å; S499-R501 PolarHBondContact O-N 3.16Å; R501-I505 HydrophobicContact CG-CD1 3.71Å; R501-I505 HydrophobicContact CG-CG1 4.42Å; R501-I505 WeakPolarHBondContact O-CB 3.24Å; R501-I505 WeakPolarHBondContact O-CD1 3.42Å; R501-I505 VanDerWaalsContact O-CG1 3.23Å; R501-I505 WeakPolarHBondContact O-CG1 3.36Å; R501-I505 PolarHBondContact O-N 3.32Å
502	K	96.6	Very high	97.4	Very high	76 Å²	76	44 Å²	44	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-48.9	177.1	178.5	171.3	170.9	36	0	111.7	Q498 S499 L500 V504 I505 D506 Y543	Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 PolarHBondContact O-N 3.5Å; S499-K502 PolarHBondContact O-N 2.96Å; L500-K502 VanDerWaalsContact C-N 3.3Å; L500-K502 PolarHBondContact O-N 3.43Å; K502-V504 PolarHBondContact O-N 2.82Å; K502-I505 PolarHBondContact O-N 3.34Å; K502-D506 IonicContact NZ-OD1 3.33Å; K502-D506 IonicContact NZ-OD2 2.88Å; K502-D506 PolarHBondContact NZ-OD2 3.08Å; K502-D506 VanDerWaalsContact O-CB 3.27Å; K502-D506 WeakPolarHBondContact O-CB 3.31Å; K502-D506 PolarHBondContact O-N 3.11Å; K502-Y543 WeakPolarHBondContact CE-OH 3.19Å
503	L	98.3	Very high	97.2	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-48.2	178.5	-72.3	167.9	0	0	0	111.5	E429 A432 S499 L500 D506 M507 Y543 I547 L550	E429-L503 HydrophobicContact CB-CD1 4.49Å; E429-L503 HydrophobicContact CG-CD1 3.72Å; E429-L503 HydrophobicContact CG-CD2 4.47Å; A432-L503 HydrophobicContact CB-CB 3.76Å; A432-L503 HydrophobicContact CB-CD1 3.96Å; S499-L503 WeakPolarHBondContact O-CG 3.34Å; S499-L503 PolarHBondContact O-N 3.12Å; L500-L503 PolarHBondContact O-N 2.93Å; L503-D506 PolarHBondContact O-N 2.69Å; L503-M507 HydrophobicContact CB-CE 4.06Å; L503-M507 WeakPolarHBondContact O-CE 3.31Å; L503-M507 WeakPolarHBondContact O-CG 3.49Å; L503-M507 PolarHBondContact O-N 3.12Å; L503-Y543 HydrophobicContact CD2-CE2 3.68Å; L503-Y543 HydrophobicContact CG-CE2 4.48Å; L503-I547 HydrophobicContact CD2-CD1 3.72Å; L503-I547 HydrophobicContact CD2-CG1 4.41Å; L503-L550 HydrophobicContact CD2-CD1 4.47Å
504	V	98.8	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-45.4	-178.6	173.6	0	0	0	0	111.5	A432 F435 A436 I439 L474 F478 L500 K502 D506 M507 V508	A432-V504 HydrophobicContact CB-CG2 3.98Å; F435-V504 HydrophobicContact CD1-CB 4.44Å; F435-V504 HydrophobicContact CD1-CG1 3.84Å; F435-V504 HydrophobicContact CD1-CG2 3.73Å; F435-V504 HydrophobicContact CE1-CG1 4.1Å; F435-V504 HydrophobicContact CE1-CG2 4.48Å; A436-V504 HydrophobicContact CB-CG1 4.17Å; I439-V504 HydrophobicContact CD1-CG1 3.84Å; L474-V504 HydrophobicContact CD2-CG1 3.94Å; F478-V504 HydrophobicContact CE2-CB 4.21Å; F478-V504 HydrophobicContact CE2-CG1 3.71Å; F478-V504 HydrophobicContact CZ-CB 3.93Å; F478-V504 HydrophobicContact CZ-CG1 3.82Å; F478-V504 HydrophobicContact CZ-CG2 4.45Å; L500-V504 HydrophobicContact CD2-CG2 3.96Å; L500-V504 HydrophobicContact CG-CG2 4.3Å; L500-V504 VanDerWaalsContact O-CG2 3.22Å; L500-V504 WeakPolarHBondContact O-CG2 3.19Å; L500-V504 PolarHBondContact O-N 3.22Å; K502-V504 PolarHBondContact O-N 2.82Å; V504-D506 VanDerWaalsContact C-N 3.3Å; V504-D506 PolarHBondContact O-N 2.89Å; V504-M507 PolarHBondContact O-N 2.91Å; V504-V508 HydrophobicContact CG1-CG2 4.3Å; V504-V508 WeakPolarHBondContact O-CG2 3.27Å; V504-V508 PolarHBondContact O-N 2.87Å
505	I	98.5	Very high	96.9	Very high	45 Å²	45	47.1 Å²	47.1	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-47.4	175.7	-70.2	167.1	0	0	0	110.3	L474 F478 R501 K502 M507 L509	L474-I505 HydrophobicContact CD1-CB 4.29Å; L474-I505 HydrophobicContact CD1-CG1 4.23Å; L474-I505 HydrophobicContact CD1-CG2 4.15Å; L474-I505 HydrophobicContact CD2-CB 4.47Å; L474-I505 HydrophobicContact CD2-CG1 4.03Å; F478-I505 HydrophobicContact CE2-CG1 4.42Å; R501-I505 HydrophobicContact CG-CD1 3.71Å; R501-I505 HydrophobicContact CG-CG1 4.42Å; R501-I505 WeakPolarHBondContact O-CB 3.24Å; R501-I505 WeakPolarHBondContact O-CD1 3.42Å; R501-I505 VanDerWaalsContact O-CG1 3.23Å; R501-I505 WeakPolarHBondContact O-CG1 3.36Å; R501-I505 PolarHBondContact O-N 3.32Å; K502-I505 PolarHBondContact O-N 3.34Å; I505-M507 VanDerWaalsContact C-N 3.26Å; I505-M507 PolarHBondContact O-N 3.18Å; I505-L509 HydrophobicContact CG2-CD1 3.73Å; I505-L509 HydrophobicContact CG2-CG 4.34Å; I505-L509 WeakPolarHBondContact O-CB 3.27Å; I505-L509 WeakPolarHBondContact O-CG 3.25Å; I505-L509 PolarHBondContact O-N 3.42Å
506	D	97.5	Very high	96.9	Very high	28 Å²	28	39.7 Å²	39.7	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-32.1	-179.2	-78.6	-14.8	0	0	0	112.3	K502 L503 V504 Y543 I547 R551	K502-D506 IonicContact NZ-OD1 3.33Å; K502-D506 IonicContact NZ-OD2 2.88Å; K502-D506 PolarHBondContact NZ-OD2 3.08Å; K502-D506 VanDerWaalsContact O-CB 3.27Å; K502-D506 WeakPolarHBondContact O-CB 3.31Å; K502-D506 PolarHBondContact O-N 3.11Å; L503-D506 PolarHBondContact O-N 2.69Å; V504-D506 VanDerWaalsContact C-N 3.3Å; V504-D506 PolarHBondContact O-N 2.89Å; D506-Y543 PolarHBondContact OD2-OH 2.99Å; D506-I547 HydrophobicContact CB-CD1 3.94Å; D506-I547 HydrophobicContact CB-CG1 3.91Å; D506-R551 VanDerWaalsContact CB-NH2 3.3Å; D506-R551 WeakPolarHBondContact O-CD 3.3Å; D506-R551 WeakPolarHBondContact O-CG 3.35Å; D506-R551 PolarHBondContact O-NE 2.77Å; D506-R551 IonicContact OD1-NH2 3.7Å; D506-R551 PolarHBondContact OD1-NH2 2.93Å; D506-R551 IonicContact OD2-NH2 2.64Å; D506-R551 PolarHBondContact OD2-NH2 3.16Å
507	M	98.7	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-80.6	-46.6	177.6	-75	-178.1	-73.8	0	0	113.4	A432 A433 A436 L503 V504 I505 A510 I547 L550 R551 V554	A432-M507 VanDerWaalsContact C-CE 3.43Å; A432-M507 HydrophobicContact CB-CE 3.81Å; A432-M507 WeakPolarHBondContact O-CE 3.35Å; A433-M507 HydrophobicContact CB-CE 4.33Å; A433-M507 HydrophobicContact CB-SD 3.97Å; A436-M507 HydrophobicContact CB-CB 3.87Å; A436-M507 HydrophobicContact CB-CE 3.91Å; A436-M507 HydrophobicContact CB-SD 4.32Å; L503-M507 HydrophobicContact CB-CE 4.06Å; L503-M507 WeakPolarHBondContact O-CE 3.31Å; L503-M507 WeakPolarHBondContact O-CG 3.49Å; L503-M507 PolarHBondContact O-N 3.12Å; V504-M507 PolarHBondContact O-N 2.91Å; I505-M507 VanDerWaalsContact C-N 3.26Å; I505-M507 PolarHBondContact O-N 3.18Å; M507-A510 WeakPolarHBondContact O-CB 3.16Å; M507-A510 PolarHBondContact O-N 2.89Å; M507-A510 VanDerWaalsContact O-N 3.1Å; M507-I547 HydrophobicContact CG-CD1 3.99Å; M507-L550 HydrophobicContact CG-CB 4.34Å; M507-L550 HydrophobicContact SD-CB 3.77Å; M507-R551 HydrophobicContact CG-CG 4.27Å; M507-V554 HydrophobicContact SD-CG2 4.01Å
508	V	98.8	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-36.7	-178.8	178.8	0	0	0	0	111.2	A436 I439 H440 H473 L474 V504 A510 T511	A436-V508 HydrophobicContact CB-CG2 3.96Å; I439-V508 HydrophobicContact CD1-CG2 4.46Å; I439-V508 HydrophobicContact CG1-CG2 4.17Å; H440-V508 HydrophobicContact CB-CG1 4.32Å; H440-V508 HydrophobicContact CB-CG2 4.35Å; H473-V508 HydrophobicContact CB-CG1 4.36Å; L474-V508 HydrophobicContact CD1-CB 4.1Å; L474-V508 HydrophobicContact CD1-CG1 4.3Å; L474-V508 HydrophobicContact CD2-CB 3.76Å; L474-V508 HydrophobicContact CD2-CG1 4.26Å; L474-V508 HydrophobicContact CD2-CG2 3.85Å; L474-V508 HydrophobicContact CG-CB 3.77Å; L474-V508 HydrophobicContact CG-CG1 3.8Å; L474-V508 HydrophobicContact CG-CG2 4.32Å; V504-V508 HydrophobicContact CG1-CG2 4.3Å; V504-V508 WeakPolarHBondContact O-CG2 3.27Å; V504-V508 PolarHBondContact O-N 2.87Å; V508-A510 PolarHBondContact O-N 2.9Å; V508-A510 VanDerWaalsContact O-N 3.17Å; V508-T511 PolarHBondContact O-N 3.16Å; V508-T511 PolarHBondContact O-OG1 3.04Å
509	L	98.4	Very high	95.9	Very high	52 Å²	52	39.7 Å²	39.7	27%	0.272	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.2	-19.3	173	-69.2	177.7	0	0	0	113.1	E470 L474 I505 T511	E470-L509 HydrophobicContact CB-CD2 4.1Å; L474-L509 HydrophobicContact CD1-CD2 4.02Å; L474-L509 HydrophobicContact CD1-CG 3.85Å; I505-L509 HydrophobicContact CG2-CD1 3.73Å; I505-L509 HydrophobicContact CG2-CG 4.34Å; I505-L509 WeakPolarHBondContact O-CB 3.27Å; I505-L509 WeakPolarHBondContact O-CG 3.25Å; I505-L509 PolarHBondContact O-N 3.42Å; L509-T511 VanDerWaalsContact C-N 3.32Å
510	A	97.9	Very high	95.5	Very high	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-80.2	-12.3	175.3	0	0	0	0	0	112.9	M507 V508 D512 L519 R551	M507-A510 WeakPolarHBondContact O-CB 3.16Å; M507-A510 PolarHBondContact O-N 2.89Å; M507-A510 VanDerWaalsContact O-N 3.1Å; V508-A510 PolarHBondContact O-N 2.9Å; V508-A510 VanDerWaalsContact O-N 3.17Å; A510-D512 PolarHBondContact O-N 3.11Å; A510-L519 HydrophobicContact CB-CD1 3.96Å; A510-L519 HydrophobicContact CB-CD2 4.03Å; A510-L519 WeakPolarHBondContact O-CD1 3.32Å; A510-R551 HydrophobicContact CB-CB 3.84Å; A510-R551 HydrophobicContact CB-CG 3.83Å
511	T	98.4	Very high	94.8	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.043	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-81	-4	174.1	68.5	0	0	0	0	112.4	H440 V508 L509 M513 V554	H440-T511 HydrophobicContact CB-CG2 4.42Å; V508-T511 PolarHBondContact O-N 3.16Å; V508-T511 PolarHBondContact O-OG1 3.04Å; L509-T511 VanDerWaalsContact C-N 3.32Å; T511-M513 WeakPolarHBondContact O-CE 3.32Å; T511-M513 PolarHBondContact O-N 3.28Å; T511-M513 VanDerWaalsContact O-N 3.09Å; T511-V554 HydrophobicContact CG2-CG1 3.98Å
512	D	98.2	Very high	94.2	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	21%	0.213	C	C	.	.			trans	-63.5	112.6	168.1	177.3	-10.9	0	0	0	109.3	S467 E470 A510 S514 K515	S467-D512 WeakPolarHBondContact CB-OD2 3.43Å; S467-D512 PolarHBondContact OG-OD2 3.4Å; E470-D512 HydrophobicContact CG-CB 3.81Å; A510-D512 PolarHBondContact O-N 3.11Å; D512-S514 PolarHBondContact O-N 2.78Å; D512-S514 VanDerWaalsContact OD1-CB 3.22Å; D512-S514 WeakPolarHBondContact OD1-CB 3.47Å; D512-S514 PolarHBondContact OD1-N 3.39Å; D512-S514 PolarHBondContact OD1-OG 2.97Å; D512-S514 PolarHBondContact OD2-OG 3.1Å; D512-K515 HydrophobicContact CB-CG 3.97Å; D512-K515 WeakPolarHBondContact O-CB 3.38Å; D512-K515 PolarHBondContact O-N 3Å; D512-K515 WeakPolarHBondContact OD2-CE 3.39Å; D512-K515 IonicContact OD2-NZ 2.69Å
513	M	93.9	Very high	93.8	Very high	83 Å²	83	34.7 Å²	34.7	41%	0.409	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-58.2	-22.6	-177.4	-67.4	-64	137.1	0	0	113.4	T511 K515 H516 D558 L559	T511-M513 WeakPolarHBondContact O-CE 3.32Å; T511-M513 PolarHBondContact O-N 3.28Å; T511-M513 VanDerWaalsContact O-N 3.09Å; M513-K515 PolarHBondContact O-N 3.25Å; M513-H516 WeakPolarHBondContact O-CB 3.36Å; M513-H516 PolarHBondContact O-N 3.19Å; M513-D558 WeakPolarHBondContact CE-OD2 3.44Å; M513-L559 HydrophobicContact CE-CD1 4.36Å; M513-L559 HydrophobicContact CE-CD2 3.98Å; M513-L559 HydrophobicContact CE-CG 4.14Å; M513-L559 HydrophobicContact SD-CD1 4.21Å; M513-L559 HydrophobicContact SD-CD2 3.95Å; M513-L559 HydrophobicContact SD-CG 4.42Å
514	S	93.3	Very high	93.1	Very high	83 Å²	83	40 Å²	40	58%	0.58	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.8	-19	172.6	75.7	0	0	0	0	113.5	D512	D512-S514 PolarHBondContact O-N 2.78Å; D512-S514 VanDerWaalsContact OD1-CB 3.22Å; D512-S514 WeakPolarHBondContact OD1-CB 3.47Å; D512-S514 PolarHBondContact OD1-N 3.39Å; D512-S514 PolarHBondContact OD1-OG 2.97Å; D512-S514 PolarHBondContact OD2-OG 3.1Å
515	K	92	Very high	92.5	Very high	73 Å²	73	43.8 Å²	43.8	32%	0.317	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.4	-6.9	179.7	-47.3	-53.3	-179.7	-150.3	0	113.4	D512 M513 M517 S518 L519	D512-K515 HydrophobicContact CB-CG 3.97Å; D512-K515 WeakPolarHBondContact O-CB 3.38Å; D512-K515 PolarHBondContact O-N 3Å; D512-K515 WeakPolarHBondContact OD2-CE 3.39Å; D512-K515 IonicContact OD2-NZ 2.69Å; M513-K515 PolarHBondContact O-N 3.25Å; K515-M517 VanDerWaalsContact C-N 3.3Å; K515-M517 PolarHBondContact O-N 3.21Å; K515-M517 VanDerWaalsContact O-N 3.16Å; K515-S518 WeakPolarHBondContact O-CB 3.41Å; K515-S518 PolarHBondContact O-N 3.29Å; K515-L519 PolarHBondContact O-N 3.1Å; K515-L519 VanDerWaalsContact O-N 3.1Å
516	H	94.2	Very high	91.8	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-47.5	-48.6	-175.3	173.5	100.3	0	0	0	113	M513 S518 L519 L520 H555 I616	M513-H516 WeakPolarHBondContact O-CB 3.36Å; M513-H516 PolarHBondContact O-N 3.19Å; H516-S518 VanDerWaalsContact C-N 3.31Å; H516-S518 PolarHBondContact O-N 3.2Å; H516-L519 PolarHBondContact O-N 3.42Å; H516-L520 WeakPolarHBondContact O-CB 2.96Å; H516-L520 PolarHBondContact O-N 2.85Å; H516-H555 AromaticContact CG-NE2 3.73Å; H516-H555 AromaticContact ND1-CE1 3.95Å; H516-H555 AromaticContact ND1-NE2 3.1Å; H516-H555 PolarHBondContact ND1-NE2 3.16Å; H516-I616 VanDerWaalsContact CE1-CG2 3.48Å; H516-I616 WeakPolarHBondContact CE1-CG2 3.46Å; H516-I616 PolarHBondContact CE1-O 2.93Å
517	M	87.1	Confident	91.2	Very high	113 Å²	113	42.2 Å²	42.2	56%	0.557	24%	0.236	S	C	*	.	H	α-helix	trans	-67	-31.4	-177.2	-65.7	-61.8	156.3	0	0	113	K515 A521 I616	K515-M517 VanDerWaalsContact C-N 3.3Å; K515-M517 PolarHBondContact O-N 3.21Å; K515-M517 VanDerWaalsContact O-N 3.16Å; M517-A521 WeakPolarHBondContact O-CB 3.38Å; M517-A521 PolarHBondContact O-N 3.36Å; M517-A521 VanDerWaalsContact O-N 3.07Å; M517-I616 HydrophobicContact CE-CD1 3.94Å
518	S	89.2	Confident	90.4	Very high	72 Å²	72	49 Å²	49	50%	0.503	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-44.1	174.1	-169.6	0	0	0	0	110.9	K515 H516 A521 D522	K515-S518 WeakPolarHBondContact O-CB 3.41Å; K515-S518 PolarHBondContact O-N 3.29Å; H516-S518 VanDerWaalsContact C-N 3.31Å; H516-S518 PolarHBondContact O-N 3.2Å; S518-A521 PolarHBondContact O-N 3.09Å; S518-D522 PolarHBondContact O-N 3.01Å
519	L	90.9	Very high	89.5	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-42.8	178.6	-66.2	170.3	0	0	0	111.5	A510 K515 H516 D522 L523 R551 N552 H555	A510-L519 HydrophobicContact CB-CD1 3.96Å; A510-L519 HydrophobicContact CB-CD2 4.03Å; A510-L519 WeakPolarHBondContact O-CD1 3.32Å; K515-L519 PolarHBondContact O-N 3.1Å; K515-L519 VanDerWaalsContact O-N 3.1Å; H516-L519 PolarHBondContact O-N 3.42Å; L519-D522 PolarHBondContact O-N 3.38Å; L519-L523 WeakPolarHBondContact O-CB 3.4Å; L519-L523 PolarHBondContact O-N 3.1Å; L519-R551 HydrophobicContact CD2-CB 4.21Å; L519-N552 PolarHBondContact O-OD1 2.9Å; L519-H555 HydrophobicContact CD1-CB 4.39Å
520	L	88.1	Confident	88.7	Confident	26 Å²	26	54.9 Å²	54.9	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-42.2	176.6	-177.2	59.1	0	0	0	112	H516 L523 K524 P619 L620 T623	H516-L520 WeakPolarHBondContact O-CB 2.96Å; H516-L520 PolarHBondContact O-N 2.85Å; L520-L523 PolarHBondContact O-N 3.36Å; L520-K524 WeakPolarHBondContact O-CB 3.47Å; L520-K524 PolarHBondContact O-N 3.1Å; L520-P619 HydrophobicContact CD2-CB 4.12Å; L520-L620 HydrophobicContact CD1-CD1 4.49Å; L520-T623 HydrophobicContact CD1-CG2 4.37Å; L520-T623 WeakPolarHBondContact CD1-OG1 3.19Å
521	A	84.2	Confident	87.9	Confident	52 Å²	52	60.9 Å²	60.9	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-43.4	176.7	0	0	0	0	0	112.3	M517 S518 K524 T525	M517-A521 WeakPolarHBondContact O-CB 3.38Å; M517-A521 PolarHBondContact O-N 3.36Å; M517-A521 VanDerWaalsContact O-N 3.07Å; S518-A521 PolarHBondContact O-N 3.09Å; A521-K524 PolarHBondContact O-N 3.44Å; A521-T525 PolarHBondContact O-N 2.94Å; A521-T525 PolarHBondContact O-OG1 2.96Å
522	D	85.8	Confident	87.3	Confident	55 Å²	55	64 Å²	64	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-44.5	175.1	-72.5	-12.6	0	0	0	110.9	S518 L519 T525 M526	S518-D522 PolarHBondContact O-N 3.01Å; L519-D522 PolarHBondContact O-N 3.38Å; D522-T525 PolarHBondContact O-N 3.11Å; D522-M526 PolarHBondContact O-N 2.93Å
523	L	88.1	Confident	86.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.9	178.3	-172.3	63.7	0	0	0	111.6	L519 L520 T525 M526 V527 N552 L620 T623 W624 L627	L519-L523 WeakPolarHBondContact O-CB 3.4Å; L519-L523 PolarHBondContact O-N 3.1Å; L520-L523 PolarHBondContact O-N 3.36Å; L523-T525 PolarHBondContact O-N 3.07Å; L523-M526 WeakPolarHBondContact O-CA 3.39Å; L523-M526 WeakPolarHBondContact O-CB 3.45Å; L523-M526 PolarHBondContact O-N 2.88Å; L523-M526 VanDerWaalsContact O-N 3.13Å; L523-V527 WeakPolarHBondContact O-CG2 3.27Å; L523-V527 PolarHBondContact O-N 3.39Å; L523-N552 HydrophobicContact CD1-CB 4.09Å; L523-N552 HydrophobicContact CD2-CB 4.3Å; L523-L620 HydrophobicContact CD2-CD1 4.26Å; L523-T623 HydrophobicContact CB-CG2 4.21Å; L523-T623 HydrophobicContact CD2-CG2 3.9Å; L523-T623 HydrophobicContact CG-CG2 3.76Å; L523-W624 HydrophobicContact CD2-CB 4.45Å; L523-L627 HydrophobicContact CD1-CD2 3.76Å
524	K	83.9	Confident	85.8	Confident	118 Å²	118	68.4 Å²	68.4	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177.9	-173.6	170	-176.9	170.2	0	112	L520 A521 M526 V527 E528 T623	L520-K524 WeakPolarHBondContact O-CB 3.47Å; L520-K524 PolarHBondContact O-N 3.1Å; A521-K524 PolarHBondContact O-N 3.44Å; K524-M526 PolarHBondContact O-N 3.25Å; K524-V527 WeakPolarHBondContact O-CB 3.47Å; K524-V527 PolarHBondContact O-N 3Å; K524-E528 WeakPolarHBondContact O-CG 3.42Å; K524-E528 PolarHBondContact O-N 2.67Å; K524-T623 HydrophobicContact CB-CG2 4.07Å
525	T	84.4	Confident	85.1	Confident	78 Å²	78	68.9 Å²	68.9	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-38.4	174.2	-56.2	0	0	0	0	111	A521 D522 L523 E528 T529	A521-T525 PolarHBondContact O-N 2.94Å; A521-T525 PolarHBondContact O-OG1 2.96Å; D522-T525 PolarHBondContact O-N 3.11Å; L523-T525 PolarHBondContact O-N 3.07Å; T525-E528 PolarHBondContact O-N 3.08Å; T525-T529 WeakPolarHBondContact O-CG2 3.48Å; T525-T529 PolarHBondContact O-N 3.45Å; T525-T529 VanDerWaalsContact O-N 3.1Å; T525-T529 PolarHBondContact O-OG1 2.97Å
526	M	84.9	Confident	84.7	Confident	14 Å²	14	67.5 Å²	67.5	7%	0.069	39%	0.391	C	S	.	.	H	α-helix	trans	-66.5	-41.5	175.7	-171.9	178	-65.4	0	0	112.5	D522 L523 K524 E528 T529 K530 L540 D545 Q548 V549 L627	D522-M526 PolarHBondContact O-N 2.93Å; L523-M526 WeakPolarHBondContact O-CA 3.39Å; L523-M526 WeakPolarHBondContact O-CB 3.45Å; L523-M526 PolarHBondContact O-N 2.88Å; L523-M526 VanDerWaalsContact O-N 3.13Å; K524-M526 PolarHBondContact O-N 3.25Å; M526-E528 VanDerWaalsContact C-N 3.32Å; M526-E528 PolarHBondContact O-N 2.96Å; M526-T529 CarbonylContact O-C 3.52Å; M526-T529 PolarHBondContact O-N 3.33Å; M526-T529 PolarHBondContact O-OG1 3.37Å; M526-K530 WeakPolarHBondContact O-CA 3.35Å; M526-K530 WeakPolarHBondContact O-CB 3.34Å; M526-K530 PolarHBondContact O-N 3.05Å; M526-L540 HydrophobicContact SD-CD2 4.32Å; M526-D545 HydrophobicContact CE-CB 4.2Å; M526-D545 WeakPolarHBondContact CE-O 3.36Å; M526-Q548 HydrophobicContact CE-CB 3.52Å; M526-Q548 HydrophobicContact CE-CG 4.47Å; M526-V549 HydrophobicContact CE-CG2 3.87Å; M526-V549 HydrophobicContact SD-CG2 3.22Å; M526-V549 WeakPolarHBondContact SD-CG2 3.31Å; M526-L627 HydrophobicContact CG-CD1 4.2Å; M526-L627 HydrophobicContact SD-CD1 4.34Å; M526-L627 HydrophobicContact SD-CD2 4.4Å
527	V	84.6	Confident	84.4	Confident	27 Å²	27	68.5 Å²	68.5	16%	0.164	40%	0.397	C	S	.	.	H	α-helix	trans	-58.9	-44.1	174.3	171.3	0	0	0	0	111.1	L523 K524 T529 K530 T623 D626 L627	L523-V527 WeakPolarHBondContact O-CG2 3.27Å; L523-V527 PolarHBondContact O-N 3.39Å; K524-V527 WeakPolarHBondContact O-CB 3.47Å; K524-V527 PolarHBondContact O-N 3Å; V527-T529 VanDerWaalsContact C-N 3.28Å; V527-T529 PolarHBondContact O-N 2.89Å; V527-K530 WeakPolarHBondContact O-CG 3.42Å; V527-K530 PolarHBondContact O-N 2.9Å; V527-T623 HydrophobicContact CG2-CG2 3.98Å; V527-T623 WeakPolarHBondContact CG2-O 3.41Å; V527-D626 HydrophobicContact CG1-CB 3.81Å; V527-D626 HydrophobicContact CG2-CB 4.29Å; V527-L627 HydrophobicContact CG2-CB 3.84Å; V527-L627 HydrophobicContact CG2-CD1 4.19Å
528	E	82.5	Confident	84.4	Confident	142 Å²	142	63.5 Å²	63.5	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-66.5	-29.8	179.7	-70.2	175	-174	0	0	113	K524 T525 M526	K524-E528 WeakPolarHBondContact O-CG 3.42Å; K524-E528 PolarHBondContact O-N 2.67Å; T525-E528 PolarHBondContact O-N 3.08Å; M526-E528 VanDerWaalsContact C-N 3.32Å; M526-E528 PolarHBondContact O-N 2.96Å
529	T	80.3	Confident	84.2	Confident	98 Å²	98	64 Å²	64	60%	0.601	37%	0.368	S	S	*	.	H	α-helix	trans	-105.1	5.7	-176.8	58.1	0	0	0	0	113.8	T525 M526 V527 K531	T525-T529 WeakPolarHBondContact O-CG2 3.48Å; T525-T529 PolarHBondContact O-N 3.45Å; T525-T529 VanDerWaalsContact O-N 3.1Å; T525-T529 PolarHBondContact O-OG1 2.97Å; M526-T529 CarbonylContact O-C 3.52Å; M526-T529 PolarHBondContact O-N 3.33Å; M526-T529 PolarHBondContact O-OG1 3.37Å; V527-T529 VanDerWaalsContact C-N 3.28Å; V527-T529 PolarHBondContact O-N 2.89Å; T529-K531 PolarHBondContact O-N 3.44Å
530	K	81.4	Confident	84	Confident	77 Å²	77	64.3 Å²	64.3	34%	0.335	37%	0.37	S	S	.	.			trans	-61.7	134.1	-171.5	75.3	-176.4	-177.8	172.1	0	111.7	M526 V527 V532 L538 D626 L627	M526-K530 WeakPolarHBondContact O-CA 3.35Å; M526-K530 WeakPolarHBondContact O-CB 3.34Å; M526-K530 PolarHBondContact O-N 3.05Å; V527-K530 WeakPolarHBondContact O-CG 3.42Å; V527-K530 PolarHBondContact O-N 2.9Å; K530-V532 HydrophobicContact CD-CG2 4.43Å; K530-V532 HydrophobicContact CG-CG2 4.28Å; K530-L538 HydrophobicContact CB-CD1 3.87Å; K530-D626 PolarHBondContact NZ-O 2.74Å; K530-L627 HydrophobicContact CD-CD1 4.48Å; K530-L627 PolarHBondContact NZ-O 3.29Å
531	K	81.3	Confident	83.5	Confident	134 Å²	134	67.7 Å²	67.7	58%	0.583	39%	0.388	S	S	*	.			trans	-106.8	130.3	170.6	-65.1	177.2	-172.2	167.5	0	108	T529 M539	T529-K531 PolarHBondContact O-N 3.44Å; K531-M539 HydrophobicContact CB-CB 4.16Å; K531-M539 WeakPolarHBondContact O-CB 3.39Å; K531-M539 PolarHBondContact O-N 2.8Å
532	V	84.1	Confident	83.4	Confident	73 Å²	73	70.8 Å²	70.8	44%	0.442	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-120.2	138.2	-178.2	-172.3	0	0	0	0	108.3	K530 G536 V537	K530-V532 HydrophobicContact CD-CG2 4.43Å; K530-V532 HydrophobicContact CG-CG2 4.28Å; V532-G536 VanDerWaalsContact CG1-CA 3.43Å; V532-G536 WeakPolarHBondContact CG1-O 3.46Å; V532-V537 WeakPolarHBondContact CA-O 3.46Å
533	T	82.4	Confident	83.4	Confident	45 Å²	45	71.9 Å²	71.9	28%	0.276	39%	0.394	S	S	.	.			trans	-68.7	169.5	173.7	67.4	0	0	0	0	110.7	S535 G536 V537 M539	T533-S535 PolarHBondContact O-N 3.5Å; T533-S535 VanDerWaalsContact O-N 3.09Å; T533-S535 PolarHBondContact OG1-N 3.43Å; T533-S535 PolarHBondContact OG1-OG 3.21Å; T533-G536 PolarHBondContact O-N 2.92Å; T533-G536 VanDerWaalsContact O-N 3.08Å; T533-V537 PolarHBondContact N-O 3.13Å; T533-V537 PolarHBondContact OG1-N 3.02Å; T533-V537 PolarHBondContact OG1-O 3.4Å; T533-M539 HydrophobicContact CG2-CG 3.43Å; T533-M539 VanDerWaalsContact CG2-CG 3.43Å; T533-M539 HydrophobicContact CG2-SD 3.79Å
534	S	78.3	Confident	83.3	Confident	140 Å²	140	74.3 Å²	74.3	98%	0.979	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15	172.4	57.7	0	0	0	0	114
535	S	80.3	Confident	83.4	Confident	94 Å²	94	70.9 Å²	70.9	66%	0.657	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.3	176.8	61	0	0	0	0	113.7	T533	T533-S535 PolarHBondContact O-N 3.5Å; T533-S535 VanDerWaalsContact O-N 3.09Å; T533-S535 PolarHBondContact OG1-N 3.43Å; T533-S535 PolarHBondContact OG1-OG 3.21Å
536	G	82.4	Confident	83.9	Confident	44 Å²	44	69 Å²	69	45%	0.454	38%	0.38	S	S	.	.	S	Bend	trans	86	6.1	-179.6	0	0	0	0	0	114.9	V532 T533	V532-G536 VanDerWaalsContact CG1-CA 3.43Å; V532-G536 WeakPolarHBondContact CG1-O 3.46Å; T533-G536 PolarHBondContact O-N 2.92Å; T533-G536 VanDerWaalsContact O-N 3.08Å
537	V	88.1	Confident	84.3	Confident	26 Å²	26	68.7 Å²	68.7	16%	0.158	38%	0.379	C	S	.	.			trans	-89	139.5	-178.3	178.2	0	0	0	0	110.6	D422 V424 V532 T533	D422-V537 WeakPolarHBondContact O-CG1 3.5Å; V424-V537 HydrophobicContact CG2-CG1 3.61Å; V532-V537 WeakPolarHBondContact CA-O 3.46Å; T533-V537 PolarHBondContact N-O 3.13Å; T533-V537 PolarHBondContact OG1-N 3.02Å; T533-V537 PolarHBondContact OG1-O 3.4Å
538	L	87	Confident	84.7	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.042	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-69.1	129.9	179.5	-169.1	67.3	0	0	0	111.3	A420 L421 V424 K530 L540 V549 L627	A420-L538 WeakPolarHBondContact O-CB 3.43Å; A420-L538 PolarHBondContact O-N 2.86Å; L421-L538 HydrophobicContact CD2-CB 4.28Å; L421-L538 HydrophobicContact CD2-CD2 3.91Å; V424-L538 WeakPolarHBondContact CG2-O 3.33Å; K530-L538 HydrophobicContact CB-CD1 3.87Å; L538-L540 HydrophobicContact CD2-CD1 4.12Å; L538-L540 HydrophobicContact CD2-CD2 3.71Å; L538-L540 HydrophobicContact CD2-CG 3.99Å; L538-L540 HydrophobicContact CG-CD2 3.86Å; L538-L540 HydrophobicContact CG-CG 4.08Å; L538-V549 HydrophobicContact CD2-CG2 4.42Å; L538-L627 HydrophobicContact CD1-CD1 4.06Å; L538-L627 HydrophobicContact CD2-CD1 3.9Å; L538-L627 HydrophobicContact CD2-CD2 4.29Å; L538-L627 HydrophobicContact CD2-CG 4.13Å
539	M	85.9	Confident	85.4	Confident	83 Å²	83	63 Å²	63	41%	0.409	35%	0.351	S	S	.	.			trans	-94	110.5	175.2	-70.5	-154.7	60.9	0	0	111.1	K531 T533 D541	K531-M539 HydrophobicContact CB-CB 4.16Å; K531-M539 WeakPolarHBondContact O-CB 3.39Å; K531-M539 PolarHBondContact O-N 2.8Å; T533-M539 HydrophobicContact CG2-CG 3.43Å; T533-M539 VanDerWaalsContact CG2-CG 3.43Å; T533-M539 HydrophobicContact CG2-SD 3.79Å; M539-D541 WeakPolarHBondContact CE-OD1 3.34Å
540	L	86.6	Confident	86.3	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	32%	0.322	C	S	.	.			trans	-115.7	89.2	176.4	-56.8	-178.3	0	0	0	110	V424 F425 M526 L538 D545 R546 V549	V424-L540 HydrophobicContact CG1-CB 4.19Å; V424-L540 HydrophobicContact CG1-CD1 3.63Å; V424-L540 HydrophobicContact CG1-CG 4Å; F425-L540 HydrophobicContact CE1-CD1 4.26Å; F425-L540 HydrophobicContact CZ-CD1 4.23Å; M526-L540 HydrophobicContact SD-CD2 4.32Å; L538-L540 HydrophobicContact CD2-CD1 4.12Å; L538-L540 HydrophobicContact CD2-CD2 3.71Å; L538-L540 HydrophobicContact CD2-CG 3.99Å; L538-L540 HydrophobicContact CG-CD2 3.86Å; L538-L540 HydrophobicContact CG-CG 4.08Å; L540-D545 HydrophobicContact CD2-CB 4.02Å; L540-R546 HydrophobicContact CB-CG 3.64Å; L540-R546 HydrophobicContact CD1-CG 4.3Å; L540-V549 HydrophobicContact CD1-CB 4.17Å; L540-V549 HydrophobicContact CD1-CG2 3.68Å; L540-V549 HydrophobicContact CD2-CG2 4.24Å
541	D	77.4	Confident	87	Confident	97 Å²	97	57.7 Å²	57.7	52%	0.519	32%	0.318	S	S	.	.			trans	-77.8	-27.8	-172.5	-64.7	-36.2	0	0	0	113	M539	M539-D541 WeakPolarHBondContact CE-OD1 3.34Å
542	H	82.8	Confident	87.8	Confident	118 Å²	118	51.4 Å²	51.4	55%	0.546	29%	0.29	S	S	.	.	S	Bend	trans	-113.7	147.2	-173.5	-59.7	-47	0	0	0	112.3	T544 D545 R546	H542-T544 PolarHBondContact O-N 3.39Å; H542-D545 IonicContact CD2-OD2 2.75Å; H542-D545 PolarHBondContact O-N 2.86Å; H542-D545 VanDerWaalsContact O-N 3.12Å; H542-R546 VanDerWaalsContact O-CG 3.31Å; H542-R546 WeakPolarHBondContact O-CG 3.22Å; H542-R546 PolarHBondContact O-N 3.37Å
543	Y	85.3	Confident	88.5	Confident	77 Å²	77	47.9 Å²	47.9	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-52.7	-38.9	175.5	168.8	-96.6	0	0	0	112.4	K502 L503 D506 D545 R546 I547	K502-Y543 WeakPolarHBondContact CE-OH 3.19Å; L503-Y543 HydrophobicContact CD2-CE2 3.68Å; L503-Y543 HydrophobicContact CG-CE2 4.48Å; D506-Y543 PolarHBondContact OD2-OH 2.99Å; Y543-D545 VanDerWaalsContact C-N 3.32Å; Y543-D545 PolarHBondContact O-N 2.8Å; Y543-R546 PolarHBondContact O-N 2.96Å; Y543-I547 HydrophobicContact CD1-CG2 4.39Å; Y543-I547 HydrophobicContact CE1-CB 4.43Å; Y543-I547 HydrophobicContact CE1-CG2 3.98Å; Y543-I547 HydrophobicContact CE2-CB 4.46Å; Y543-I547 VanDerWaalsContact O-CG2 3.31Å; Y543-I547 WeakPolarHBondContact O-CG2 3.33Å; Y543-I547 PolarHBondContact O-N 3.24Å
544	T	85.2	Confident	89.3	Confident	51 Å²	51	45.8 Å²	45.8	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-43.9	179	45.5	0	0	0	0	112.3	H542 I547 Q548	H542-T544 PolarHBondContact O-N 3.39Å; T544-I547 VanDerWaalsContact O-CG2 3.31Å; T544-I547 WeakPolarHBondContact O-CG2 3.48Å; T544-Q548 WeakPolarHBondContact O-CB 3.46Å; T544-Q548 VanDerWaalsContact O-CG 3.24Å; T544-Q548 WeakPolarHBondContact O-CG 3.4Å; T544-Q548 PolarHBondContact O-N 3.09Å
545	D	87.3	Confident	90.3	Very high	46 Å²	46	39.1 Å²	39.1	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-73.1	-40.7	-176.1	-44.1	-14.6	0	0	0	108.8	M526 L540 H542 Y543 Q548 V549	M526-D545 HydrophobicContact CE-CB 4.2Å; M526-D545 WeakPolarHBondContact CE-O 3.36Å; L540-D545 HydrophobicContact CD2-CB 4.02Å; H542-D545 IonicContact CD2-OD2 2.75Å; H542-D545 PolarHBondContact O-N 2.86Å; H542-D545 VanDerWaalsContact O-N 3.12Å; Y543-D545 VanDerWaalsContact C-N 3.32Å; Y543-D545 PolarHBondContact O-N 2.8Å; D545-Q548 PolarHBondContact O-N 3.11Å; D545-V549 WeakPolarHBondContact O-CG2 3.38Å; D545-V549 PolarHBondContact O-N 3.41Å
546	R	93.5	Very high	91.1	Very high	39 Å²	39	34.7 Å²	34.7	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-48.5	177.2	-61	169.5	73.2	77.1	0	112.2	V424 F425 E429 L540 H542 Y543 Q548 V549 L550	V424-R546 PolarHBondContact O-NH1 3.35Å; V424-R546 PolarHBondContact O-NH2 3.46Å; F425-R546 HydrophobicContact CE1-CB 4.46Å; E429-R546 VanDerWaalsContact CD-NH2 3.35Å; E429-R546 IonicContact OE1-CZ 3.94Å; E429-R546 IonicContact OE1-NE 3.88Å; E429-R546 PolarHBondContact OE1-NE 3.33Å; E429-R546 IonicContact OE1-NH2 3.83Å; E429-R546 PolarHBondContact OE1-NH2 3.18Å; E429-R546 IonicContact OE2-CZ 3.17Å; E429-R546 IonicContact OE2-NE 3.26Å; E429-R546 IonicContact OE2-NH2 2.64Å; E429-R546 PolarHBondContact OE2-NH2 3.41Å; L540-R546 HydrophobicContact CB-CG 3.64Å; L540-R546 HydrophobicContact CD1-CG 4.3Å; H542-R546 VanDerWaalsContact O-CG 3.31Å; H542-R546 WeakPolarHBondContact O-CG 3.22Å; H542-R546 PolarHBondContact O-N 3.37Å; Y543-R546 PolarHBondContact O-N 2.96Å; R546-Q548 VanDerWaalsContact C-N 3.34Å; R546-V549 PolarHBondContact O-N 3Å; R546-L550 WeakPolarHBondContact O-CG 3.33Å; R546-L550 PolarHBondContact O-N 3.38Å
547	I	94.6	Very high	91.9	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-32.5	178.9	-169.8	50.1	0	0	0	112	L503 D506 M507 Y543 T544 L550 R551	L503-I547 HydrophobicContact CD2-CD1 3.72Å; L503-I547 HydrophobicContact CD2-CG1 4.41Å; D506-I547 HydrophobicContact CB-CD1 3.94Å; D506-I547 HydrophobicContact CB-CG1 3.91Å; M507-I547 HydrophobicContact CG-CD1 3.99Å; Y543-I547 HydrophobicContact CD1-CG2 4.39Å; Y543-I547 HydrophobicContact CE1-CB 4.43Å; Y543-I547 HydrophobicContact CE1-CG2 3.98Å; Y543-I547 HydrophobicContact CE2-CB 4.46Å; Y543-I547 VanDerWaalsContact O-CG2 3.31Å; Y543-I547 WeakPolarHBondContact O-CG2 3.33Å; Y543-I547 PolarHBondContact O-N 3.24Å; T544-I547 VanDerWaalsContact O-CG2 3.31Å; T544-I547 WeakPolarHBondContact O-CG2 3.48Å; I547-L550 HydrophobicContact CD1-CB 4.32Å; I547-L550 PolarHBondContact O-N 3.5Å; I547-R551 HydrophobicContact CD1-CG 4.21Å; I547-R551 HydrophobicContact CG1-CG 4.29Å; I547-R551 WeakPolarHBondContact O-CB 3.49Å; I547-R551 VanDerWaalsContact O-CG 3.23Å; I547-R551 WeakPolarHBondContact O-CG 3.36Å; I547-R551 PolarHBondContact O-N 3.27Å
548	Q	93.2	Very high	92.4	Very high	51 Å²	51	32 Å²	32	24%	0.238	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-43.1	173.2	-82.2	175	-6.1	0	0	112	M526 T544 D545 R546 N552	M526-Q548 HydrophobicContact CE-CB 3.52Å; M526-Q548 HydrophobicContact CE-CG 4.47Å; T544-Q548 WeakPolarHBondContact O-CB 3.46Å; T544-Q548 VanDerWaalsContact O-CG 3.24Å; T544-Q548 WeakPolarHBondContact O-CG 3.4Å; T544-Q548 PolarHBondContact O-N 3.09Å; D545-Q548 PolarHBondContact O-N 3.11Å; R546-Q548 VanDerWaalsContact C-N 3.34Å; Q548-N552 PolarHBondContact O-N 3.46Å; Q548-N552 VanDerWaalsContact O-N 3.12Å; Q548-N552 PolarHBondContact O-ND2 3.46Å
549	V	96.3	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-45.3	174.3	178.9	0	0	0	0	111	L421 F425 M526 L538 L540 D545 R546 R551 N552 M553 W624 L627	L421-V549 HydrophobicContact CD2-CG1 4.43Å; F425-V549 HydrophobicContact CE2-CG1 4.49Å; F425-V549 HydrophobicContact CZ-CB 4.11Å; F425-V549 HydrophobicContact CZ-CG1 3.75Å; M526-V549 HydrophobicContact CE-CG2 3.87Å; M526-V549 HydrophobicContact SD-CG2 3.22Å; M526-V549 WeakPolarHBondContact SD-CG2 3.31Å; L538-V549 HydrophobicContact CD2-CG2 4.42Å; L540-V549 HydrophobicContact CD1-CB 4.17Å; L540-V549 HydrophobicContact CD1-CG2 3.68Å; L540-V549 HydrophobicContact CD2-CG2 4.24Å; D545-V549 WeakPolarHBondContact O-CG2 3.38Å; D545-V549 PolarHBondContact O-N 3.41Å; R546-V549 PolarHBondContact O-N 3Å; V549-R551 PolarHBondContact O-N 2.93Å; V549-N552 PolarHBondContact O-N 3.12Å; V549-M553 VanDerWaalsContact O-CB 3.31Å; V549-M553 WeakPolarHBondContact O-CB 3.27Å; V549-M553 PolarHBondContact O-N 3.33Å; V549-W624 HydrophobicContact CG1-CH2 4.17Å; V549-W624 HydrophobicContact CG1-CZ3 4.14Å; V549-L627 HydrophobicContact CG1-CD2 4.46Å; V549-L627 HydrophobicContact CG2-CD2 4.2Å
550	L	98.3	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-179.1	-69.1	170.5	0	0	0	112.8	L416 F425 E429 A433 L503 M507 R546 I547 M553 V554	L416-L550 HydrophobicContact CD2-CD2 4.25Å; F425-L550 HydrophobicContact CD1-CD1 4.09Å; F425-L550 HydrophobicContact CD1-CD2 3.83Å; F425-L550 HydrophobicContact CD1-CG 4.02Å; F425-L550 HydrophobicContact CD2-CD2 4.33Å; F425-L550 HydrophobicContact CE1-CD1 4.06Å; F425-L550 HydrophobicContact CE1-CD2 3.66Å; F425-L550 HydrophobicContact CE1-CG 3.6Å; F425-L550 HydrophobicContact CE2-CD2 4.18Å; F425-L550 HydrophobicContact CG-CD2 4.17Å; F425-L550 HydrophobicContact CZ-CD2 3.84Å; F425-L550 HydrophobicContact CZ-CG 4.09Å; E429-L550 HydrophobicContact CB-CD1 3.98Å; E429-L550 HydrophobicContact CG-CD1 4.17Å; A433-L550 HydrophobicContact CB-CD2 4.22Å; L503-L550 HydrophobicContact CD2-CD1 4.47Å; M507-L550 HydrophobicContact CG-CB 4.34Å; M507-L550 HydrophobicContact SD-CB 3.77Å; R546-L550 WeakPolarHBondContact O-CG 3.33Å; R546-L550 PolarHBondContact O-N 3.38Å; I547-L550 HydrophobicContact CD1-CB 4.32Å; I547-L550 PolarHBondContact O-N 3.5Å; L550-M553 PolarHBondContact O-N 2.88Å; L550-V554 PolarHBondContact O-N 3.13Å; L550-V554 VanDerWaalsContact O-N 3.11Å
551	R	97.9	Very high	94.2	Very high	63 Å²	63	28.1 Å²	28.1	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-50.8	173.2	-74.9	174.1	-175	179.4	5.3	111.4	D506 M507 A510 L519 I547 V549 M553 V554 H555	D506-R551 VanDerWaalsContact CB-NH2 3.3Å; D506-R551 WeakPolarHBondContact O-CD 3.3Å; D506-R551 WeakPolarHBondContact O-CG 3.35Å; D506-R551 PolarHBondContact O-NE 2.77Å; D506-R551 IonicContact OD1-NH2 3.7Å; D506-R551 PolarHBondContact OD1-NH2 2.93Å; D506-R551 IonicContact OD2-NH2 2.64Å; D506-R551 PolarHBondContact OD2-NH2 3.16Å; M507-R551 HydrophobicContact CG-CG 4.27Å; A510-R551 HydrophobicContact CB-CB 3.84Å; A510-R551 HydrophobicContact CB-CG 3.83Å; L519-R551 HydrophobicContact CD2-CB 4.21Å; I547-R551 HydrophobicContact CD1-CG 4.21Å; I547-R551 HydrophobicContact CG1-CG 4.29Å; I547-R551 WeakPolarHBondContact O-CB 3.49Å; I547-R551 VanDerWaalsContact O-CG 3.23Å; I547-R551 WeakPolarHBondContact O-CG 3.36Å; I547-R551 PolarHBondContact O-N 3.27Å; V549-R551 PolarHBondContact O-N 2.93Å; R551-M553 VanDerWaalsContact C-N 3.29Å; R551-M553 PolarHBondContact O-N 3.31Å; R551-V554 PolarHBondContact O-N 3.03Å; R551-H555 WeakPolarHBondContact O-CB 3.43Å; R551-H555 PolarHBondContact O-N 3.41Å
552	N	97.8	Very high	95.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-34.9	178.2	-81.8	-75.4	0	0	0	112	L519 L523 Q548 V549 H555 C556 W624	L519-N552 PolarHBondContact O-OD1 2.9Å; L523-N552 HydrophobicContact CD1-CB 4.09Å; L523-N552 HydrophobicContact CD2-CB 4.3Å; Q548-N552 PolarHBondContact O-N 3.46Å; Q548-N552 VanDerWaalsContact O-N 3.12Å; Q548-N552 PolarHBondContact O-ND2 3.46Å; V549-N552 PolarHBondContact O-N 3.12Å; N552-H555 PolarHBondContact O-N 3.1Å; N552-C556 WeakPolarHBondContact O-CB 3.41Å; N552-C556 PolarHBondContact O-N 3.42Å; N552-C556 PolarHBondContact O-SG 3.11Å; N552-W624 HydrophobicContact CB-CZ3 4.46Å
553	M	98.4	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-48.3	177.4	-176.1	-174.8	-72.3	0	0	112	T412 L415 L416 L421 F425 V549 L550 R551 H555 C556 A557 W624	T412-M553 HydrophobicContact CG2-SD 4.37Å; L415-M553 HydrophobicContact CB-CE 4.36Å; L415-M553 HydrophobicContact CB-CG 3.68Å; L415-M553 HydrophobicContact CB-SD 4.01Å; L415-M553 HydrophobicContact CD1-CG 3.9Å; L415-M553 HydrophobicContact CG-CG 4.46Å; L416-M553 HydrophobicContact CB-SD 4.45Å; L416-M553 HydrophobicContact CD2-CE 3.94Å; L416-M553 HydrophobicContact CD2-SD 3.54Å; L416-M553 VanDerWaalsContact CD2-SD 3.54Å; L416-M553 HydrophobicContact CG-CE 4.35Å; L416-M553 HydrophobicContact CG-SD 3.56Å; L416-M553 VanDerWaalsContact CG-SD 3.56Å; L421-M553 HydrophobicContact CD1-CE 3.5Å; F425-M553 HydrophobicContact CE2-CE 4Å; V549-M553 VanDerWaalsContact O-CB 3.31Å; V549-M553 WeakPolarHBondContact O-CB 3.27Å; V549-M553 PolarHBondContact O-N 3.33Å; L550-M553 PolarHBondContact O-N 2.88Å; R551-M553 VanDerWaalsContact C-N 3.29Å; R551-M553 PolarHBondContact O-N 3.31Å; M553-H555 VanDerWaalsContact C-N 3.33Å; M553-C556 PolarHBondContact O-N 2.73Å; M553-A557 WeakPolarHBondContact O-CB 3.4Å; M553-A557 PolarHBondContact O-N 3.47Å; M553-W624 HydrophobicContact CB-CH2 3.66Å; M553-W624 HydrophobicContact CB-CZ3 3.96Å; M553-W624 HydrophobicContact CE-CH2 3.75Å; M553-W624 HydrophobicContact CE-CZ2 4.27Å; M553-W624 HydrophobicContact CG-CH2 3.88Å; M553-W624 HydrophobicContact CG-CZ2 4.36Å
554	V	98.7	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.1	-39.2	177.2	177.6	0	0	0	0	110.4	T412 M507 T511 L550 R551 A557 D558	T412-V554 HydrophobicContact CG2-CG2 4.29Å; M507-V554 HydrophobicContact SD-CG2 4.01Å; T511-V554 HydrophobicContact CG2-CG1 3.98Å; L550-V554 PolarHBondContact O-N 3.13Å; L550-V554 VanDerWaalsContact O-N 3.11Å; R551-V554 PolarHBondContact O-N 3.03Å; V554-A557 WeakPolarHBondContact O-CB 3.44Å; V554-A557 PolarHBondContact O-N 3.44Å; V554-D558 PolarHBondContact O-N 2.89Å
555	H	98.6	Very high	97.2	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-40.7	175.3	-169.3	55	0	0	0	113.1	H516 L519 R551 N552 M553 D558 L559	H516-H555 AromaticContact CG-NE2 3.73Å; H516-H555 AromaticContact ND1-CE1 3.95Å; H516-H555 AromaticContact ND1-NE2 3.1Å; H516-H555 PolarHBondContact ND1-NE2 3.16Å; L519-H555 HydrophobicContact CD1-CB 4.39Å; R551-H555 WeakPolarHBondContact O-CB 3.43Å; R551-H555 PolarHBondContact O-N 3.41Å; N552-H555 PolarHBondContact O-N 3.1Å; M553-H555 VanDerWaalsContact C-N 3.33Å; H555-D558 PolarHBondContact O-N 3.44Å; H555-L559 WeakPolarHBondContact O-CB 3.31Å; H555-L559 PolarHBondContact O-N 3.18Å
556	C	98.6	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-42.5	171.6	-72.8	0	0	0	0	111.1	L415 N552 M553 D558 L559 S560 W621	L415-C556 HydrophobicContact CD1-CB 4.26Å; N552-C556 WeakPolarHBondContact O-CB 3.41Å; N552-C556 PolarHBondContact O-N 3.42Å; N552-C556 PolarHBondContact O-SG 3.11Å; M553-C556 PolarHBondContact O-N 2.73Å; C556-D558 VanDerWaalsContact C-N 3.33Å; C556-D558 PolarHBondContact O-N 3.13Å; C556-L559 CarbonylContact O-C 3.59Å; C556-L559 VanDerWaalsContact O-C 3.23Å; C556-L559 PolarHBondContact O-N 2.89Å; C556-S560 WeakPolarHBondContact O-CA 3.19Å; C556-S560 WeakPolarHBondContact O-CB 3.5Å; C556-S560 PolarHBondContact O-N 3.2Å; C556-W621 HydrophobicContact CB-CH2 4.09Å; C556-W621 HydrophobicContact CB-CZ2 3.93Å; C556-W621 WeakPolarHBondContact O-CZ2 3.37Å
557	A	98.8	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.8	-38.8	177.8	0	0	0	0	0	112.3	V408 T412 L415 M553 V554 S560	V408-A557 HydrophobicContact CG1-CB 3.95Å; T412-A557 VanDerWaalsContact OG1-CB 3.3Å; T412-A557 WeakPolarHBondContact OG1-CB 3.44Å; L415-A557 HydrophobicContact CD1-CB 4.32Å; M553-A557 WeakPolarHBondContact O-CB 3.4Å; M553-A557 PolarHBondContact O-N 3.47Å; V554-A557 WeakPolarHBondContact O-CB 3.44Å; V554-A557 PolarHBondContact O-N 3.44Å; A557-S560 WeakPolarHBondContact O-CB 3.35Å; A557-S560 PolarHBondContact O-N 3.46Å; A557-S560 PolarHBondContact O-OG 2.87Å
558	D	98.8	Very high	98	Very high	14 Å²	14	17 Å²	17	8%	0.075	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-45.1	173.5	-176.1	15.6	0	0	0	111.5	H404 V408 H440 M513 V554 H555 C556 S560	H404-D558 IonicContact CE1-OD1 3.46Å; H404-D558 PolarHBondContact CE1-OD1 2.92Å; H404-D558 IonicContact NE2-OD1 2.77Å; H404-D558 PolarHBondContact NE2-OD1 2.92Å; V408-D558 HydrophobicContact CG1-CB 4.46Å; V408-D558 HydrophobicContact CG2-CB 4.45Å; H440-D558 IonicContact NE2-OD1 3.26Å; M513-D558 WeakPolarHBondContact CE-OD2 3.44Å; V554-D558 PolarHBondContact O-N 2.89Å; H555-D558 PolarHBondContact O-N 3.44Å; C556-D558 VanDerWaalsContact C-N 3.33Å; C556-D558 PolarHBondContact O-N 3.13Å; D558-S560 PolarHBondContact O-N 3.49Å; D558-S560 VanDerWaalsContact O-N 3.15Å
559	L	98.6	Very high	98.3	Very high	13 Å²	13	14.7 Å²	14.7	7%	0.068	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	28.7	175.6	-60.8	175.5	0	0	0	113.7	M513 H555 C556 F612 I616 L620 W621	M513-L559 HydrophobicContact CE-CD1 4.36Å; M513-L559 HydrophobicContact CE-CD2 3.98Å; M513-L559 HydrophobicContact CE-CG 4.14Å; M513-L559 HydrophobicContact SD-CD1 4.21Å; M513-L559 HydrophobicContact SD-CD2 3.95Å; M513-L559 HydrophobicContact SD-CG 4.42Å; H555-L559 WeakPolarHBondContact O-CB 3.31Å; H555-L559 PolarHBondContact O-N 3.18Å; C556-L559 CarbonylContact O-C 3.59Å; C556-L559 VanDerWaalsContact O-C 3.23Å; C556-L559 PolarHBondContact O-N 2.89Å; L559-F612 HydrophobicContact CD2-CE2 4.34Å; L559-F612 HydrophobicContact CD2-CZ 3.77Å; L559-I616 HydrophobicContact CD1-CG2 4.26Å; L559-L620 HydrophobicContact CB-CD2 4.21Å; L559-L620 HydrophobicContact CD1-CD2 3.6Å; L559-L620 HydrophobicContact CG-CD2 4.49Å; L559-W621 PolarHBondContact O-NE1 3.4Å; L559-W621 VanDerWaalsContact O-NE1 3.11Å
560	S	98.6	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-17.9	-173.6	69.3	0	0	0	0	114.6	C556 A557 D558 P562 T563 K564	C556-S560 WeakPolarHBondContact O-CA 3.19Å; C556-S560 WeakPolarHBondContact O-CB 3.5Å; C556-S560 PolarHBondContact O-N 3.2Å; A557-S560 WeakPolarHBondContact O-CB 3.35Å; A557-S560 PolarHBondContact O-N 3.46Å; A557-S560 PolarHBondContact O-OG 2.87Å; D558-S560 PolarHBondContact O-N 3.49Å; D558-S560 VanDerWaalsContact O-N 3.15Å; S560-P562 VanDerWaalsContact C-CD 3.46Å; S560-P562 VanDerWaalsContact C-N 3.32Å; S560-P562 VanDerWaalsContact O-N 3.15Å; S560-T563 PolarHBondContact O-N 2.84Å; S560-T563 PolarHBondContact O-OG1 3.27Å; S560-K564 PolarHBondContact O-N 2.88Å; S560-K564 VanDerWaalsContact OG-CE 3.32Å; S560-K564 WeakPolarHBondContact OG-CE 3.35Å; S560-K564 PolarHBondContact OG-NZ 3.45Å
561	N	98.6	Very high	98.4	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-51.5	-44.2	-172.7	-53.2	-25.8	0	0	0	113.8	Y399 T563 K564 Y569 W572	Y399-N561 VanDerWaalsContact CE2-ND2 3.32Å; Y399-N561 WeakPolarHBondContact CE2-ND2 3.41Å; Y399-N561 PolarHBondContact OH-ND2 3.37Å; N561-T563 PolarHBondContact O-N 3.03Å; N561-K564 WeakPolarHBondContact O-CB 3.11Å; N561-K564 PolarHBondContact O-N 2.99Å; N561-K564 VanDerWaalsContact O-N 3.12Å; N561-Y569 HydrophobicContact CB-CD2 4.03Å; N561-Y569 HydrophobicContact CB-CE2 4.43Å; N561-Y569 VanDerWaalsContact O-CB 3.32Å; N561-Y569 WeakPolarHBondContact O-CB 3.47Å; N561-Y569 WeakPolarHBondContact O-CD2 3.44Å; N561-W572 HydrophobicContact CB-CB 3.92Å; N561-W572 HydrophobicContact CB-CG 4.08Å
562	P	98.8	Very high	98.4	Very high	2 Å²	2	20 Å²	20	1%	0.013	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.4	-179.6	-21.2	37.1	0	0	0	114.7	S560 Y569 F612 I613 V617 L639 N642	S560-P562 VanDerWaalsContact C-CD 3.46Å; S560-P562 VanDerWaalsContact C-N 3.32Å; S560-P562 VanDerWaalsContact O-N 3.15Å; P562-Y569 HydrophobicContact CB-CD1 4.34Å; P562-Y569 HydrophobicContact CB-CD2 4.42Å; P562-Y569 HydrophobicContact CB-CE1 3.73Å; P562-Y569 HydrophobicContact CB-CE2 3.87Å; P562-Y569 VanDerWaalsContact CB-CZ 3.48Å; P562-Y569 HydrophobicContact CG-CD2 4.38Å; P562-Y569 HydrophobicContact CG-CE1 4.37Å; P562-Y569 HydrophobicContact CG-CE2 3.64Å; P562-F612 HydrophobicContact CG-CD1 4.29Å; P562-F612 HydrophobicContact CG-CE1 4Å; P562-I613 HydrophobicContact CB-CD1 4.09Å; P562-I613 HydrophobicContact CB-CG1 3.9Å; P562-I613 HydrophobicContact CG-CG1 4.43Å; P562-V617 HydrophobicContact CB-CG1 4.17Å; P562-V617 HydrophobicContact CG-CG1 4.11Å; P562-V617 HydrophobicContact CG-CG2 4.12Å; P562-L639 HydrophobicContact CB-CD1 3.62Å; P562-L639 WeakPolarHBondContact O-CD1 3.36Å; P562-N642 PolarHBondContact O-ND2 3.39Å
563	T	98.7	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-99.4	-1.2	176.8	80.6	0	0	0	0	112.8	W342 S560 N561 V617 W621 I635 T638 L639	W342-T563 VanDerWaalsContact CZ2-OG1 3.27Å; W342-T563 WeakPolarHBondContact CZ2-OG1 3.34Å; W342-T563 PolarHBondContact NE1-O 3.33Å; W342-T563 VanDerWaalsContact NE1-O 3.16Å; W342-T563 PolarHBondContact NE1-OG1 3.4Å; S560-T563 PolarHBondContact O-N 2.84Å; S560-T563 PolarHBondContact O-OG1 3.27Å; N561-T563 PolarHBondContact O-N 3.03Å; T563-V617 HydrophobicContact CG2-CG1 4.45Å; T563-W621 HydrophobicContact CG2-CD2 3.92Å; T563-W621 HydrophobicContact CG2-CG 3.9Å; T563-W621 HydrophobicContact CG2-CZ2 4.26Å; T563-I635 HydrophobicContact CG2-CG2 3.83Å; T563-I635 WeakPolarHBondContact OG1-CG2 3.42Å; T563-T638 WeakPolarHBondContact O-CG2 3.49Å; T563-L639 HydrophobicContact CG2-CB 4.11Å; T563-L639 HydrophobicContact CG2-CD1 4.06Å; T563-L639 HydrophobicContact CG2-CD2 4.2Å; T563-L639 HydrophobicContact CG2-CG 4.35Å
564	K	98.4	Very high	98.4	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	12%	0.122	C	C	.	.	S	Bend	trans	-80.3	161.3	174.2	-57.5	-65	171.5	65.4	0	110.4	W342 D407 S411 S560 N561 L566 V568 N642	W342-K564 HydrophobicContact CZ2-CD 4.3Å; D407-K564 IonicContact OD1-NZ 3.69Å; D407-K564 PolarHBondContact OD1-NZ 2.76Å; D407-K564 IonicContact OD2-NZ 3.66Å; D407-K564 PolarHBondContact OD2-NZ 3.45Å; S411-K564 WeakPolarHBondContact OG-CE 3.39Å; S411-K564 PolarHBondContact OG-NZ 3.25Å; S560-K564 PolarHBondContact O-N 2.88Å; S560-K564 VanDerWaalsContact OG-CE 3.32Å; S560-K564 WeakPolarHBondContact OG-CE 3.35Å; S560-K564 PolarHBondContact OG-NZ 3.45Å; N561-K564 WeakPolarHBondContact O-CB 3.11Å; N561-K564 PolarHBondContact O-N 2.99Å; N561-K564 VanDerWaalsContact O-N 3.12Å; K564-L566 PolarHBondContact O-N 2.88Å; K564-V568 HydrophobicContact CB-CB 4.15Å; K564-V568 HydrophobicContact CB-CG1 4.03Å; K564-V568 HydrophobicContact CG-CG1 4.41Å; K564-N642 PolarHBondContact O-ND2 3.5Å
565	P	98.4	Very high	98.4	Very high	45 Å²	45	29.5 Å²	29.5	29%	0.292	14%	0.136	S	C	.	.			trans	-50.7	138.4	173	-28	35.6	0	0	0	112.1	H567 V568 Y569	P565-H567 PolarHBondContact O-N 3.41Å; P565-V568 WeakPolarHBondContact O-CA 3.44Å; P565-V568 WeakPolarHBondContact O-CB 3.48Å; P565-V568 PolarHBondContact O-N 3.47Å; P565-Y569 PolarHBondContact O-N 2.83Å; P565-Y569 VanDerWaalsContact O-N 3.11Å
566	L	98.1	Very high	98.4	Very high	48 Å²	48	30.6 Å²	30.6	25%	0.251	14%	0.142	S	C	.	.	H	α-helix	trans	-47.6	-39.6	-169.7	-178.1	62.6	0	0	0	114.8	K564 V568 Y569 R570 N642 W645	K564-L566 PolarHBondContact O-N 2.88Å; L566-V568 VanDerWaalsContact C-N 3.31Å; L566-V568 PolarHBondContact O-N 2.86Å; L566-Y569 PolarHBondContact O-N 3.1Å; L566-R570 HydrophobicContact CD1-CG 4.02Å; L566-R570 HydrophobicContact CG-CG 4.31Å; L566-R570 WeakPolarHBondContact O-CB 3.22Å; L566-R570 VanDerWaalsContact O-CG 3.27Å; L566-R570 WeakPolarHBondContact O-CG 3.42Å; L566-R570 PolarHBondContact O-N 3.42Å; L566-N642 WeakPolarHBondContact CA-OD1 3.5Å; L566-N642 WeakPolarHBondContact CB-OD1 3.39Å; L566-N642 WeakPolarHBondContact CD1-OD1 3.3Å; L566-W645 HydrophobicContact CD1-CB 4.42Å; L566-W645 HydrophobicContact CD1-CD2 3.84Å; L566-W645 HydrophobicContact CD1-CE3 3.76Å; L566-W645 HydrophobicContact CD1-CG 4.12Å; L566-W645 HydrophobicContact CD1-CZ3 4.36Å; L566-W645 HydrophobicContact CD2-CB 4.43Å; L566-W645 HydrophobicContact CD2-CD2 3.77Å; L566-W645 HydrophobicContact CD2-CE3 4.49Å; L566-W645 HydrophobicContact CD2-CG 3.69Å; L566-W645 HydrophobicContact CG-CD2 4.4Å
567	H	97.4	Very high	98.4	Very high	105 Å²	105	31 Å²	31	49%	0.486	14%	0.144	S	C	.	.	H	α-helix	trans	-68.9	-26.1	-179.6	74.3	-82.9	0	0	0	114.1	N345 P565 Q571	N345-H567 PolarHBondContact ND2-NE2 3.33Å; P565-H567 PolarHBondContact O-N 3.41Å; H567-Q571 PolarHBondContact O-NE2 2.92Å
568	V	97.8	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-78.6	-49	171.7	179	0	0	0	0	108.6	F347 K564 P565 L566 R570 Q571 W572	F347-V568 HydrophobicContact CD2-CG1 4.37Å; F347-V568 HydrophobicContact CE2-CB 4.44Å; F347-V568 HydrophobicContact CE2-CG1 3.77Å; K564-V568 HydrophobicContact CB-CB 4.15Å; K564-V568 HydrophobicContact CB-CG1 4.03Å; K564-V568 HydrophobicContact CG-CG1 4.41Å; P565-V568 WeakPolarHBondContact O-CA 3.44Å; P565-V568 WeakPolarHBondContact O-CB 3.48Å; P565-V568 PolarHBondContact O-N 3.47Å; L566-V568 VanDerWaalsContact C-N 3.31Å; L566-V568 PolarHBondContact O-N 2.86Å; V568-R570 VanDerWaalsContact C-N 3.34Å; V568-R570 PolarHBondContact O-N 3.17Å; V568-Q571 PolarHBondContact O-N 3.33Å; V568-Q571 VanDerWaalsContact O-N 3.16Å; V568-W572 PolarHBondContact O-N 3.11Å; V568-W572 VanDerWaalsContact O-N 3.16Å
569	Y	98.6	Very high	98.3	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-44.9	-179.7	179.7	-156	0	0	0	112.1	N561 P562 P565 L566 Q571 W572 T573 Q609 I613 N642 Y646	N561-Y569 HydrophobicContact CB-CD2 4.03Å; N561-Y569 HydrophobicContact CB-CE2 4.43Å; N561-Y569 VanDerWaalsContact O-CB 3.32Å; N561-Y569 WeakPolarHBondContact O-CB 3.47Å; N561-Y569 WeakPolarHBondContact O-CD2 3.44Å; P562-Y569 HydrophobicContact CB-CD1 4.34Å; P562-Y569 HydrophobicContact CB-CD2 4.42Å; P562-Y569 HydrophobicContact CB-CE1 3.73Å; P562-Y569 HydrophobicContact CB-CE2 3.87Å; P562-Y569 VanDerWaalsContact CB-CZ 3.48Å; P562-Y569 HydrophobicContact CG-CD2 4.38Å; P562-Y569 HydrophobicContact CG-CE1 4.37Å; P562-Y569 HydrophobicContact CG-CE2 3.64Å; P565-Y569 PolarHBondContact O-N 2.83Å; P565-Y569 VanDerWaalsContact O-N 3.11Å; L566-Y569 PolarHBondContact O-N 3.1Å; Y569-Q571 VanDerWaalsContact C-N 3.31Å; Y569-Q571 PolarHBondContact O-N 2.97Å; Y569-W572 WeakPolarHBondContact O-CA 3.39Å; Y569-W572 WeakPolarHBondContact O-CB 3.38Å; Y569-W572 PolarHBondContact O-N 3.38Å; Y569-T573 VanDerWaalsContact CE2-OG1 3.25Å; Y569-T573 WeakPolarHBondContact CE2-OG1 3.48Å; Y569-T573 PolarHBondContact O-N 3.23Å; Y569-T573 PolarHBondContact O-OG1 3.17Å; Y569-Q609 PolarHBondContact OH-OE1 3.3Å; Y569-I613 HydrophobicContact CE1-CD1 4.19Å; Y569-N642 HydrophobicContact CD1-CB 3.93Å; Y569-N642 HydrophobicContact CE1-CB 4.12Å; Y569-Y646 HydrophobicContact CD1-CD2 4.35Å; Y569-Y646 AromaticContact CD1-CE2 3.66Å; Y569-Y646 HydrophobicContact CD1-CE2 3.66Å; Y569-Y646 AromaticContact CE1-CD2 3.69Å; Y569-Y646 HydrophobicContact CE1-CD2 3.69Å; Y569-Y646 AromaticContact CE1-CE2 3.24Å; Y569-Y646 HydrophobicContact CE1-CE2 3.24Å; Y569-Y646 HydrophobicContact CG-CE2 4.47Å; Y569-Y646 AromaticContact CZ-CE2 3.73Å
570	R	98.1	Very high	98.3	Very high	107 Å²	107	37.4 Å²	37.4	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-57.9	-40.7	178.1	-75.9	179.9	62.5	-166.7	-5.4	113.5	L566 V568 W572 T573 E574 W645	L566-R570 HydrophobicContact CD1-CG 4.02Å; L566-R570 HydrophobicContact CG-CG 4.31Å; L566-R570 WeakPolarHBondContact O-CB 3.22Å; L566-R570 VanDerWaalsContact O-CG 3.27Å; L566-R570 WeakPolarHBondContact O-CG 3.42Å; L566-R570 PolarHBondContact O-N 3.42Å; V568-R570 VanDerWaalsContact C-N 3.34Å; V568-R570 PolarHBondContact O-N 3.17Å; R570-W572 VanDerWaalsContact C-N 3.32Å; R570-W572 PolarHBondContact O-N 2.89Å; R570-T573 PolarHBondContact O-N 3.27Å; R570-E574 WeakPolarHBondContact O-CG 3.35Å; R570-E574 PolarHBondContact O-N 3.39Å; R570-W645 HydrophobicContact CG-CH2 4.31Å; R570-W645 HydrophobicContact CG-CZ3 4.21Å
571	Q	98.3	Very high	98.2	Very high	65 Å²	65	39.5 Å²	39.5	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-66.3	-36.6	176.3	-72.2	178.7	77.5	0	0	111.6	F347 H567 V568 Y569 E574 R575	F347-Q571 HydrophobicContact CD2-CB 4.41Å; F347-Q571 HydrophobicContact CE1-CB 4.06Å; F347-Q571 HydrophobicContact CE2-CB 3.69Å; F347-Q571 HydrophobicContact CE2-CG 4.43Å; F347-Q571 HydrophobicContact CZ-CB 3.51Å; H567-Q571 PolarHBondContact O-NE2 2.92Å; V568-Q571 PolarHBondContact O-N 3.33Å; V568-Q571 VanDerWaalsContact O-N 3.16Å; Y569-Q571 VanDerWaalsContact C-N 3.31Å; Y569-Q571 PolarHBondContact O-N 2.97Å; Q571-E574 PolarHBondContact O-N 3.43Å; Q571-R575 VanDerWaalsContact O-CG 3.29Å; Q571-R575 WeakPolarHBondContact O-CG 3.33Å; Q571-R575 PolarHBondContact O-N 3.45Å; Q571-R575 VanDerWaalsContact O-N 3.13Å
572	W	98.7	Very high	98.2	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-43.6	172.9	-75	133.8	0	0	0	112.4	I346 F347 Y399 L403 H404 D407 N561 V568 Y569 R570 E574 R575 I576	I346-W572 HydrophobicContact CG2-CZ2 3.79Å; F347-W572 HydrophobicContact CE1-CD2 4.46Å; F347-W572 HydrophobicContact CE1-CH2 4.37Å; F347-W572 HydrophobicContact CE1-CZ2 4.29Å; F347-W572 AromaticContact CZ-CD2 3.7Å; F347-W572 HydrophobicContact CZ-CD2 3.7Å; F347-W572 AromaticContact CZ-CE2 3.57Å; F347-W572 HydrophobicContact CZ-CE3 4.2Å; F347-W572 HydrophobicContact CZ-CG 4.07Å; F347-W572 HydrophobicContact CZ-CH2 4.37Å; F347-W572 AromaticContact CZ-CZ2 3.93Å; F347-W572 HydrophobicContact CZ-CZ2 3.93Å; F347-W572 AromaticContact CZ-NE1 3.94Å; Y399-W572 AromaticContact CD2-CE3 3.73Å; Y399-W572 HydrophobicContact CD2-CE3 3.73Å; Y399-W572 HydrophobicContact CD2-CZ3 4.19Å; Y399-W572 HydrophobicContact CE2-CD2 4.37Å; Y399-W572 AromaticContact CE2-CE3 3.71Å; Y399-W572 HydrophobicContact CE2-CE3 3.71Å; Y399-W572 HydrophobicContact CE2-CZ3 4.32Å; L403-W572 HydrophobicContact CB-CH2 4.16Å; L403-W572 HydrophobicContact CD2-CH2 3.92Å; L403-W572 HydrophobicContact CD2-CZ3 4.44Å; L403-W572 HydrophobicContact CG-CH2 3.66Å; L403-W572 HydrophobicContact CG-CZ2 4.22Å; H404-W572 HydrophobicContact CB-CH2 3.89Å; H404-W572 HydrophobicContact CB-CZ3 4.01Å; D407-W572 HydrophobicContact CB-CZ2 3.82Å; D407-W572 PolarHBondContact OD2-NE1 3.2Å; N561-W572 HydrophobicContact CB-CB 3.92Å; N561-W572 HydrophobicContact CB-CG 4.08Å; V568-W572 PolarHBondContact O-N 3.11Å; V568-W572 VanDerWaalsContact O-N 3.16Å; Y569-W572 WeakPolarHBondContact O-CA 3.39Å; Y569-W572 WeakPolarHBondContact O-CB 3.38Å; Y569-W572 PolarHBondContact O-N 3.38Å; R570-W572 VanDerWaalsContact C-N 3.32Å; R570-W572 PolarHBondContact O-N 2.89Å; W572-E574 VanDerWaalsContact C-N 3.34Å; W572-E574 PolarHBondContact O-N 2.93Å; W572-R575 PolarHBondContact O-N 3.36Å; W572-I576 WeakPolarHBondContact O-CG2 3.46Å; W572-I576 PolarHBondContact O-N 3.39Å
573	T	98.4	Very high	98.2	Very high	4 Å²	4	44 Å²	44	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-43.9	174.8	-57.7	0	0	0	0	111.6	Y569 R570 R575 I576 M577 V605 Q609 Y646	Y569-T573 VanDerWaalsContact CE2-OG1 3.25Å; Y569-T573 WeakPolarHBondContact CE2-OG1 3.48Å; Y569-T573 PolarHBondContact O-N 3.23Å; Y569-T573 PolarHBondContact O-OG1 3.17Å; R570-T573 PolarHBondContact O-N 3.27Å; T573-R575 VanDerWaalsContact C-N 3.34Å; T573-R575 PolarHBondContact O-N 3.06Å; T573-I576 VanDerWaalsContact O-CG2 3.31Å; T573-I576 WeakPolarHBondContact O-CG2 3.32Å; T573-M577 HydrophobicContact CG2-CG 4.33Å; T573-M577 WeakPolarHBondContact O-CB 3.5Å; T573-M577 WeakPolarHBondContact O-CG 3.45Å; T573-M577 PolarHBondContact O-N 3.03Å; T573-M577 VanDerWaalsContact O-N 3.08Å; T573-V605 HydrophobicContact CG2-CG1 3.66Å; T573-Q609 HydrophobicContact CG2-CG 3.69Å; T573-Q609 PolarHBondContact OG1-OE1 3.35Å; T573-Y646 VanDerWaalsContact CB-OH 3.27Å; T573-Y646 WeakPolarHBondContact CB-OH 3.43Å; T573-Y646 HydrophobicContact CG2-CE1 4.46Å; T573-Y646 WeakPolarHBondContact CG2-OH 3.45Å; T573-Y646 PolarHBondContact OG1-OH 2.89Å
574	E	97.9	Very high	98.1	Very high	120 Å²	120	44 Å²	44	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-60.2	-43.6	176.9	-73.8	169.4	-168.7	0	0	111.7	R570 Q571 W572 E578	R570-E574 WeakPolarHBondContact O-CG 3.35Å; R570-E574 PolarHBondContact O-N 3.39Å; Q571-E574 PolarHBondContact O-N 3.43Å; W572-E574 VanDerWaalsContact C-N 3.34Å; W572-E574 PolarHBondContact O-N 2.93Å; E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.2Å
575	R	98.5	Very high	98.1	Very high	77 Å²	77	46 Å²	46	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-45	179.9	-73.8	169.6	176.8	-86.5	4	113.4	A398 Y399 Q571 W572 T573 M577 E578 E579	A398-R575 WeakPolarHBondContact CB-O 3.34Å; A398-R575 PolarHBondContact O-NH1 3.3Å; A398-R575 VanDerWaalsContact O-NH1 3.15Å; Y399-R575 HydrophobicContact CD2-CB 4.31Å; Q571-R575 VanDerWaalsContact O-CG 3.29Å; Q571-R575 WeakPolarHBondContact O-CG 3.33Å; Q571-R575 PolarHBondContact O-N 3.45Å; Q571-R575 VanDerWaalsContact O-N 3.13Å; W572-R575 PolarHBondContact O-N 3.36Å; T573-R575 VanDerWaalsContact C-N 3.34Å; T573-R575 PolarHBondContact O-N 3.06Å; R575-M577 VanDerWaalsContact C-N 3.34Å; R575-E578 PolarHBondContact O-N 3.38Å; R575-E579 PolarHBondContact O-N 2.94Å
576	I	98.3	Very high	98	Very high	24 Å²	24	47.3 Å²	47.3	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-38.1	179.3	-170.8	61.6	0	0	0	111.1	Y399 W572 T573 E579 F580	Y399-I576 HydrophobicContact CD1-CD1 3.77Å; Y399-I576 HydrophobicContact CD2-CB 3.69Å; Y399-I576 HydrophobicContact CD2-CD1 4.2Å; Y399-I576 HydrophobicContact CD2-CG1 4.44Å; Y399-I576 HydrophobicContact CE1-CD1 4.27Å; Y399-I576 HydrophobicContact CE2-CB 4.19Å; Y399-I576 HydrophobicContact CG-CB 4.03Å; Y399-I576 HydrophobicContact CG-CD1 3.73Å; Y399-I576 HydrophobicContact CG-CG1 4.44Å; W572-I576 WeakPolarHBondContact O-CG2 3.46Å; W572-I576 PolarHBondContact O-N 3.39Å; T573-I576 VanDerWaalsContact O-CG2 3.31Å; T573-I576 WeakPolarHBondContact O-CG2 3.32Å; I576-E579 PolarHBondContact O-N 3.4Å; I576-F580 HydrophobicContact CD1-CD1 4.1Å; I576-F580 HydrophobicContact CD1-CE1 3.55Å; I576-F580 HydrophobicContact CD1-CZ 3.83Å; I576-F580 HydrophobicContact CG1-CD1 4.34Å; I576-F580 HydrophobicContact CG1-CD2 4.47Å; I576-F580 HydrophobicContact CG1-CE1 3.88Å; I576-F580 HydrophobicContact CG1-CE2 4.02Å; I576-F580 HydrophobicContact CG1-CZ 3.7Å; I576-F580 WeakPolarHBondContact O-CG 3.49Å; I576-F580 PolarHBondContact O-N 3.41Å
577	M	97.8	Very high	98	Very high	10 Å²	10	45 Å²	45	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-41.8	175.5	-67.5	-64.9	157.5	0	0	111.4	T573 R575 E579 F580 F581 M597 V605 Q609	T573-M577 HydrophobicContact CG2-CG 4.33Å; T573-M577 WeakPolarHBondContact O-CB 3.5Å; T573-M577 WeakPolarHBondContact O-CG 3.45Å; T573-M577 PolarHBondContact O-N 3.03Å; T573-M577 VanDerWaalsContact O-N 3.08Å; R575-M577 VanDerWaalsContact C-N 3.34Å; M577-E579 VanDerWaalsContact C-N 3.27Å; M577-E579 PolarHBondContact O-N 3.45Å; M577-F580 PolarHBondContact O-N 3.32Å; M577-F580 HydrophobicContact SD-CD2 4.49Å; M577-F581 HydrophobicContact CB-CE2 3.93Å; M577-F581 HydrophobicContact CB-CZ 4.01Å; M577-F581 WeakPolarHBondContact O-CB 3.2Å; M577-F581 WeakPolarHBondContact O-CD1 3.35Å; M577-F581 WeakPolarHBondContact O-CD2 3.29Å; M577-F581 WeakPolarHBondContact O-CG 3.22Å; M577-F581 PolarHBondContact O-N 2.92Å; M577-F581 HydrophobicContact SD-CZ 4.37Å; M577-M597 HydrophobicContact CE-CE 4.24Å; M577-M597 HydrophobicContact SD-CE 4.21Å; M577-V605 HydrophobicContact CE-CG1 4.23Å; M577-V605 HydrophobicContact CG-CG1 4.01Å; M577-V605 HydrophobicContact CG-CG2 4.04Å; M577-V605 HydrophobicContact SD-CG1 4.41Å; M577-V605 HydrophobicContact SD-CG2 4.08Å; M577-Q609 VanDerWaalsContact CE-NE2 3.32Å
578	E	98	Very high	98	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	19%	0.192	S	C	.	.	H	α-helix	trans	-57.2	-42.7	173.1	-180	176.3	-167.9	0	0	111.7	A398 E574 R575 F581 R582	A398-E578 HydrophobicContact CB-CB 4.06Å; A398-E578 HydrophobicContact CB-CG 3.95Å; E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.2Å; R575-E578 PolarHBondContact O-N 3.38Å; E578-F581 PolarHBondContact O-N 3.5Å; E578-R582 VanDerWaalsContact O-CG 3.25Å; E578-R582 WeakPolarHBondContact O-CG 3.4Å; E578-R582 PolarHBondContact O-N 3Å; E578-R582 IonicContact OE1-CZ 2.72Å; E578-R582 VanDerWaalsContact OE1-CZ 3.26Å; E578-R582 IonicContact OE1-NE 3.7Å; E578-R582 PolarHBondContact OE1-NE 3.08Å; E578-R582 IonicContact OE1-NH2 3.84Å; E578-R582 PolarHBondContact OE1-NH2 3.44Å
579	E	98.4	Very high	98	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-45.7	178.5	-163.9	168.3	130.6	0	0	112.9	V397 A398 Y399 H400 H444 G446 R575 I576 M577 F581 R582 Q583	V397-E579 WeakPolarHBondContact CG1-OE2 3.44Å; A398-E579 HydrophobicContact CB-CB 4.27Å; A398-E579 PolarHBondContact N-OE2 2.93Å; Y399-E579 WeakPolarHBondContact CA-OE2 3.49Å; Y399-E579 WeakPolarHBondContact CB-OE2 3.35Å; Y399-E579 PolarHBondContact N-OE2 2.77Å; H400-E579 IonicContact CE1-OE1 3.82Å; H400-E579 PolarHBondContact CE1-OE1 3.46Å; H400-E579 IonicContact CG-OE1 3.92Å; H400-E579 PolarHBondContact N-OE2 2.95Å; H400-E579 VanDerWaalsContact N-OE2 3.12Å; H400-E579 IonicContact ND1-OE1 2.84Å; H400-E579 PolarHBondContact ND1-OE1 2.97Å; H400-E579 IonicContact ND1-OE2 3.5Å; H444-E579 IonicContact CE1-OE1 2.9Å; H444-E579 IonicContact ND1-OE1 3.46Å; G446-E579 VanDerWaalsContact CA-OE1 3.25Å; G446-E579 WeakPolarHBondContact CA-OE1 3.32Å; R575-E579 PolarHBondContact O-N 2.94Å; I576-E579 PolarHBondContact O-N 3.4Å; M577-E579 VanDerWaalsContact C-N 3.27Å; M577-E579 PolarHBondContact O-N 3.45Å; E579-F581 VanDerWaalsContact C-N 3.31Å; E579-F581 PolarHBondContact O-N 3.2Å; E579-R582 WeakPolarHBondContact O-CB 3.47Å; E579-R582 PolarHBondContact O-N 2.98Å; E579-Q583 PolarHBondContact O-N 2.82Å
580	F	98.1	Very high	97.8	Very high	68 Å²	68	58.8 Å²	58.8	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-43.3	174.5	-72.9	-3.8	0	0	0	111.6	I576 M577 R582 Q583 G584 M597 C598	I576-F580 HydrophobicContact CD1-CD1 4.1Å; I576-F580 HydrophobicContact CD1-CE1 3.55Å; I576-F580 HydrophobicContact CD1-CZ 3.83Å; I576-F580 HydrophobicContact CG1-CD1 4.34Å; I576-F580 HydrophobicContact CG1-CD2 4.47Å; I576-F580 HydrophobicContact CG1-CE1 3.88Å; I576-F580 HydrophobicContact CG1-CE2 4.02Å; I576-F580 HydrophobicContact CG1-CZ 3.7Å; I576-F580 WeakPolarHBondContact O-CG 3.49Å; I576-F580 PolarHBondContact O-N 3.41Å; M577-F580 PolarHBondContact O-N 3.32Å; M577-F580 HydrophobicContact SD-CD2 4.49Å; F580-R582 VanDerWaalsContact C-N 3.33Å; F580-R582 PolarHBondContact O-N 3.35Å; F580-Q583 WeakPolarHBondContact O-CB 3.41Å; F580-Q583 PolarHBondContact O-N 3.09Å; F580-Q583 VanDerWaalsContact O-N 3.17Å; F580-G584 PolarHBondContact O-N 3.36Å; F580-M597 HydrophobicContact CD2-CB 4.16Å; F580-C598 WeakPolarHBondContact O-CA 3.38Å; F580-C598 VanDerWaalsContact O-CB 3.26Å; F580-C598 WeakPolarHBondContact O-CB 3.46Å
581	F	97.9	Very high	97.7	Very high	44 Å²	44	57.2 Å²	57.2	19%	0.193	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-35.5	178.2	-59.4	-22.7	0	0	0	112.6	M577 E578 E579 Q583 G584 D585 M597 C598 K600 A603	M577-F581 HydrophobicContact CB-CE2 3.93Å; M577-F581 HydrophobicContact CB-CZ 4.01Å; M577-F581 WeakPolarHBondContact O-CB 3.2Å; M577-F581 WeakPolarHBondContact O-CD1 3.35Å; M577-F581 WeakPolarHBondContact O-CD2 3.29Å; M577-F581 WeakPolarHBondContact O-CG 3.22Å; M577-F581 PolarHBondContact O-N 2.92Å; M577-F581 HydrophobicContact SD-CZ 4.37Å; E578-F581 PolarHBondContact O-N 3.5Å; E579-F581 VanDerWaalsContact C-N 3.31Å; E579-F581 PolarHBondContact O-N 3.2Å; F581-Q583 VanDerWaalsContact C-N 3.35Å; F581-G584 PolarHBondContact O-N 2.93Å; F581-D585 WeakPolarHBondContact O-CB 3.45Å; F581-D585 PolarHBondContact O-N 3.36Å; F581-M597 WeakPolarHBondContact CE1-O 3.42Å; F581-C598 WeakPolarHBondContact CA-O 3.16Å; F581-K600 HydrophobicContact CB-CB 4.17Å; F581-K600 HydrophobicContact CD1-CB 3.89Å; F581-K600 HydrophobicContact CD2-CB 3.85Å; F581-K600 HydrophobicContact CE1-CB 4.25Å; F581-K600 HydrophobicContact CE2-CB 4.21Å; F581-K600 HydrophobicContact CG-CB 3.69Å; F581-K600 HydrophobicContact CZ-CB 4.4Å; F581-A603 HydrophobicContact CE1-CB 3.73Å; F581-A603 HydrophobicContact CZ-CB 4.08Å
582	R	97.8	Very high	97.6	Very high	102 Å²	102	56.4 Å²	56.4	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-35.9	172.9	-71.8	167.9	177	-157	5.4	112	N396 E578 E579 F580 K586	N396-R582 PolarHBondContact O-NH1 3.03Å; E578-R582 VanDerWaalsContact O-CG 3.25Å; E578-R582 WeakPolarHBondContact O-CG 3.4Å; E578-R582 PolarHBondContact O-N 3Å; E578-R582 IonicContact OE1-CZ 2.72Å; E578-R582 VanDerWaalsContact OE1-CZ 3.26Å; E578-R582 IonicContact OE1-NE 3.7Å; E578-R582 PolarHBondContact OE1-NE 3.08Å; E578-R582 IonicContact OE1-NH2 3.84Å; E578-R582 PolarHBondContact OE1-NH2 3.44Å; E579-R582 WeakPolarHBondContact O-CB 3.47Å; E579-R582 PolarHBondContact O-N 2.98Å; F580-R582 VanDerWaalsContact C-N 3.33Å; F580-R582 PolarHBondContact O-N 3.35Å; R582-K586 WeakPolarHBondContact O-CG 3.3Å; R582-K586 PolarHBondContact O-N 3.15Å
583	Q	98.1	Very high	97.5	Very high	9 Å²	9	65 Å²	65	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-47.6	170.3	-178.6	179	-54.1	0	0	110.9	V447 F451 E579 F580 F581 D585 K586 E587	V447-Q583 VanDerWaalsContact CA-OE1 3.26Å; V447-Q583 HydrophobicContact CB-CG 4.4Å; V447-Q583 HydrophobicContact CG1-CB 4.24Å; V447-Q583 HydrophobicContact CG1-CG 4.04Å; F451-Q583 HydrophobicContact CD2-CG 3.94Å; F451-Q583 HydrophobicContact CE2-CG 4.36Å; F451-Q583 HydrophobicContact CG-CG 4.34Å; E579-Q583 PolarHBondContact O-N 2.82Å; F580-Q583 WeakPolarHBondContact O-CB 3.41Å; F580-Q583 PolarHBondContact O-N 3.09Å; F580-Q583 VanDerWaalsContact O-N 3.17Å; F581-Q583 VanDerWaalsContact C-N 3.35Å; Q583-D585 VanDerWaalsContact C-N 3.29Å; Q583-D585 PolarHBondContact O-N 3.31Å; Q583-K586 CarbonylContact O-C 3.23Å; Q583-K586 WeakPolarHBondContact O-CA 3.45Å; Q583-K586 WeakPolarHBondContact O-CB 3.45Å; Q583-K586 PolarHBondContact O-N 3.25Å; Q583-E587 HydrophobicContact CG-CG 4.36Å; Q583-E587 PolarHBondContact NE2-OE1 3.37Å; Q583-E587 WeakPolarHBondContact O-CG 3.43Å; Q583-E587 PolarHBondContact O-N 3.11Å
584	G	97.8	Very high	97.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-34.7	179.6	0	0	0	0	0	113.6	F580 F581 E587 R588 C598	F580-G584 PolarHBondContact O-N 3.36Å; F581-G584 PolarHBondContact O-N 2.93Å; G584-E587 WeakPolarHBondContact CA-OE2 3.32Å; G584-E587 PolarHBondContact O-N 2.9Å; G584-R588 WeakPolarHBondContact O-CB 3.48Å; G584-R588 PolarHBondContact O-N 2.81Å; G584-C598 WeakPolarHBondContact CA-O 3.3Å
585	D	97.6	Very high	97.1	Very high	42 Å²	42	62.7 Å²	62.7	23%	0.225	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-42.9	171.4	-74.2	-20.2	0	0	0	110.9	F581 Q583 E587 R588 E589 K600	F581-D585 WeakPolarHBondContact O-CB 3.45Å; F581-D585 PolarHBondContact O-N 3.36Å; Q583-D585 VanDerWaalsContact C-N 3.29Å; Q583-D585 PolarHBondContact O-N 3.31Å; D585-E587 PolarHBondContact O-N 2.9Å; D585-R588 PolarHBondContact O-N 3.11Å; D585-R588 IonicContact OD1-CZ 3.19Å; D585-R588 IonicContact OD1-NH1 3.31Å; D585-R588 PolarHBondContact OD1-NH1 3.46Å; D585-R588 IonicContact OD1-NH2 3.84Å; D585-E589 VanDerWaalsContact O-CG 3.32Å; D585-E589 WeakPolarHBondContact O-CG 3.18Å; D585-E589 PolarHBondContact O-N 2.84Å; D585-K600 IonicContact OD1-NZ 3.56Å; D585-K600 PolarHBondContact OD1-NZ 2.96Å; D585-K600 IonicContact OD2-NZ 2.7Å; D585-K600 PolarHBondContact OD2-NZ 2.86Å
586	K	97.3	Very high	96.7	Very high	72 Å²	72	64.8 Å²	64.8	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-38.8	173.4	-67.7	169.5	-176.8	171.9	0	112.8	V447 F451 R582 Q583 R590	V447-K586 HydrophobicContact CG1-CD 3.95Å; F451-K586 HydrophobicContact CE2-CB 4.16Å; F451-K586 HydrophobicContact CZ-CB 3.94Å; F451-K586 HydrophobicContact CZ-CD 4.3Å; R582-K586 WeakPolarHBondContact O-CG 3.3Å; R582-K586 PolarHBondContact O-N 3.15Å; Q583-K586 CarbonylContact O-C 3.23Å; Q583-K586 WeakPolarHBondContact O-CA 3.45Å; Q583-K586 WeakPolarHBondContact O-CB 3.45Å; Q583-K586 PolarHBondContact O-N 3.25Å; K586-R590 VanDerWaalsContact O-CG 3.31Å; K586-R590 WeakPolarHBondContact O-CG 3.33Å; K586-R590 PolarHBondContact O-N 2.65Å
587	E	98.2	Very high	96.3	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176.2	-70.8	168.4	162.7	0	0	110.6	F451 Q583 G584 D585 E589 R590 G591 M592 I594 S595	F451-E587 HydrophobicContact CD2-CG 3.6Å; F451-E587 HydrophobicContact CE2-CG 3.57Å; Q583-E587 HydrophobicContact CG-CG 4.36Å; Q583-E587 PolarHBondContact NE2-OE1 3.37Å; Q583-E587 WeakPolarHBondContact O-CG 3.43Å; Q583-E587 PolarHBondContact O-N 3.11Å; G584-E587 WeakPolarHBondContact CA-OE2 3.32Å; G584-E587 PolarHBondContact O-N 2.9Å; D585-E587 PolarHBondContact O-N 2.9Å; E587-E589 PolarHBondContact O-N 2.83Å; E587-R590 CarbonylContact O-C 3.59Å; E587-R590 PolarHBondContact O-N 3.35Å; E587-R590 VanDerWaalsContact O-N 3.16Å; E587-G591 PolarHBondContact O-N 3.08Å; E587-G591 VanDerWaalsContact O-N 3.16Å; E587-M592 HydrophobicContact CB-CB 4.19Å; E587-M592 PolarHBondContact O-N 3.09Å; E587-I594 WeakPolarHBondContact OE2-CA 3.45Å; E587-S595 WeakPolarHBondContact OE1-CB 3.28Å; E587-S595 PolarHBondContact OE1-OG 3.23Å; E587-S595 PolarHBondContact OE2-N 2.81Å
588	R	96.5	Very high	96.1	Very high	97 Å²	97	66 Å²	66	37%	0.366	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-44.9	176.4	-169.8	-175	-61.9	126.7	1.3	112	G584 D585 R590 G591 I594 D599	G584-R588 WeakPolarHBondContact O-CB 3.48Å; G584-R588 PolarHBondContact O-N 2.81Å; D585-R588 PolarHBondContact O-N 3.11Å; D585-R588 IonicContact OD1-CZ 3.19Å; D585-R588 IonicContact OD1-NH1 3.31Å; D585-R588 PolarHBondContact OD1-NH1 3.46Å; D585-R588 IonicContact OD1-NH2 3.84Å; R588-R590 PolarHBondContact O-N 3.5Å; R588-G591 PolarHBondContact O-N 2.94Å; R588-G591 VanDerWaalsContact O-N 3.11Å; R588-I594 HydrophobicContact CB-CD1 4.13Å; R588-I594 HydrophobicContact CB-CG1 4.39Å; R588-I594 HydrophobicContact CG-CD1 4.42Å; R588-D599 IonicContact NH2-OD1 3.15Å; R588-D599 PolarHBondContact NH2-OD1 3.29Å
589	E	97.1	Very high	95.8	Very high	161 Å²	161	63.4 Å²	63.4	75%	0.752	32%	0.317	S	S	*	.	H	α-helix	trans	-60.5	-32.3	177	-75.9	173.5	-175	0	0	112.8	D585 E587 G591	D585-E589 VanDerWaalsContact O-CG 3.32Å; D585-E589 WeakPolarHBondContact O-CG 3.18Å; D585-E589 PolarHBondContact O-N 2.84Å; E587-E589 PolarHBondContact O-N 2.83Å; E589-G591 VanDerWaalsContact C-N 3.34Å
590	R	96	Very high	95.4	Very high	139 Å²	139	67.4 Å²	67.4	53%	0.525	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.4	179	-68.2	173.8	-175.8	-176.9	-0.2	113.5	K586 E587 R588 M592	K586-R590 VanDerWaalsContact O-CG 3.31Å; K586-R590 WeakPolarHBondContact O-CG 3.33Å; K586-R590 PolarHBondContact O-N 2.65Å; E587-R590 CarbonylContact O-C 3.59Å; E587-R590 PolarHBondContact O-N 3.35Å; E587-R590 VanDerWaalsContact O-N 3.16Å; R588-R590 PolarHBondContact O-N 3.5Å; R590-M592 HydrophobicContact CB-CG 3.96Å; R590-M592 HydrophobicContact CB-SD 3.98Å; R590-M592 PolarHBondContact O-N 3.04Å
591	G	95.9	Very high	95	Very high	73 Å²	73	70.9 Å²	70.9	75%	0.753	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	26.4	-175.6	0	0	0	0	0	113.3	E587 R588 E589	E587-G591 PolarHBondContact O-N 3.08Å; E587-G591 VanDerWaalsContact O-N 3.16Å; R588-G591 PolarHBondContact O-N 2.94Å; R588-G591 VanDerWaalsContact O-N 3.11Å; E589-G591 VanDerWaalsContact C-N 3.34Å
592	M	96.1	Very high	94.5	Very high	49 Å²	49	74.1 Å²	74.1	24%	0.241	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-85.1	158	174.2	-62.6	171.6	62	0	0	110.2	F451 N454 T455 E587 R590 I594	F451-M592 HydrophobicContact CD2-CE 4.48Å; F451-M592 HydrophobicContact CE2-SD 4.5Å; N454-M592 HydrophobicContact CB-CE 3.56Å; T455-M592 HydrophobicContact CG2-CE 3.97Å; T455-M592 HydrophobicContact CG2-SD 3.66Å; E587-M592 HydrophobicContact CB-CB 4.19Å; E587-M592 PolarHBondContact O-N 3.09Å; R590-M592 HydrophobicContact CB-CG 3.96Å; R590-M592 HydrophobicContact CB-SD 3.98Å; R590-M592 PolarHBondContact O-N 3.04Å; M592-I594 PolarHBondContact O-N 3.39Å
593	E	95.3	Very high	94	Very high	181 Å²	181	70.5 Å²	70.5	85%	0.846	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-62.6	130.3	165	-173.7	172.9	-171.8	0	0	108.8	S595	E593-S595 PolarHBondContact O-N 3.08Å
594	I	95.8	Very high	93.7	Very high	46 Å²	46	71.9 Å²	71.9	24%	0.236	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-73.2	126.7	-179.3	-58.1	172.3	0	0	0	107.9	E587 R588 M592 C598 D599	E587-I594 WeakPolarHBondContact OE2-CA 3.45Å; R588-I594 HydrophobicContact CB-CD1 4.13Å; R588-I594 HydrophobicContact CB-CG1 4.39Å; R588-I594 HydrophobicContact CG-CD1 4.42Å; M592-I594 PolarHBondContact O-N 3.39Å; I594-C598 HydrophobicContact CG2-CB 3.95Å; I594-D599 HydrophobicContact CD1-CB 4.43Å; I594-D599 HydrophobicContact CG2-CB 3.84Å
595	S	93.3	Very high	93.5	Very high	29 Å²	29	73.6 Å²	73.6	20%	0.203	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.6	147.1	179.4	-70.8	0	0	0	0	110.8	E587 E593 M597 C598	E587-S595 WeakPolarHBondContact OE1-CB 3.28Å; E587-S595 PolarHBondContact OE1-OG 3.23Å; E587-S595 PolarHBondContact OE2-N 2.81Å; E593-S595 PolarHBondContact O-N 3.08Å; S595-M597 PolarHBondContact O-N 2.87Å; S595-C598 VanDerWaalsContact O-CB 3.31Å; S595-C598 WeakPolarHBondContact O-CB 3.47Å; S595-C598 PolarHBondContact O-N 2.9Å
596	P	90.3	Very high	93.3	Very high	121 Å²	121	74.2 Å²	74.2	79%	0.786	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	141.6	171.6	-26.4	34.6	0	0	0	110.9	C598	P596-C598 PolarHBondContact O-N 3.37Å
597	M	88.6	Confident	93.1	Very high	55 Å²	55	76.1 Å²	76.1	27%	0.271	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	-7.7	-176	-58.7	-53.7	-54.2	0	0	117	M577 F580 F581 S595 A603 S608	M577-M597 HydrophobicContact CE-CE 4.24Å; M577-M597 HydrophobicContact SD-CE 4.21Å; F580-M597 HydrophobicContact CD2-CB 4.16Å; F581-M597 WeakPolarHBondContact CE1-O 3.42Å; S595-M597 PolarHBondContact O-N 2.87Å; M597-A603 HydrophobicContact CE-CB 3.98Å; M597-S608 WeakPolarHBondContact CE-OG 3.49Å; M597-S608 PolarHBondContact SD-OG 3.29Å
598	C	93.4	Very high	92.8	Very high	6 Å²	6	77.6 Å²	77.6	4%	0.041	41%	0.409	C	S	.	.			trans	-89.6	-7.8	-179.1	-62.8	0	0	0	0	113.5	F580 F581 G584 I594 S595 P596	F580-C598 WeakPolarHBondContact O-CA 3.38Å; F580-C598 VanDerWaalsContact O-CB 3.26Å; F580-C598 WeakPolarHBondContact O-CB 3.46Å; F581-C598 WeakPolarHBondContact CA-O 3.16Å; G584-C598 WeakPolarHBondContact CA-O 3.3Å; I594-C598 HydrophobicContact CG2-CB 3.95Å; S595-C598 VanDerWaalsContact O-CB 3.31Å; S595-C598 WeakPolarHBondContact O-CB 3.47Å; S595-C598 PolarHBondContact O-N 2.9Å; P596-C598 PolarHBondContact O-N 3.37Å
599	D	92.1	Very high	92.9	Very high	29 Å²	29	73.6 Å²	73.6	16%	0.155	39%	0.394	C	S	.	.			trans	-93.7	107.7	175.6	-175.6	16.4	0	0	0	112.6	R588 I594 H601 T602 A603	R588-D599 IonicContact NH2-OD1 3.15Å; R588-D599 PolarHBondContact NH2-OD1 3.29Å; I594-D599 HydrophobicContact CD1-CB 4.43Å; I594-D599 HydrophobicContact CG2-CB 3.84Å; D599-H601 PolarHBondContact O-N 3.49Å; D599-H601 IonicContact OD1-CD2 3.02Å; D599-H601 PolarHBondContact OD1-CD2 2.86Å; D599-H601 IonicContact OD1-CG 3.29Å; D599-H601 PolarHBondContact OD1-N 3.34Å; D599-H601 VanDerWaalsContact OD1-N 3.17Å; D599-T602 WeakPolarHBondContact CB-OG1 3.21Å; D599-T602 PolarHBondContact O-N 3.17Å; D599-T602 VanDerWaalsContact O-N 3.12Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.43Å; D599-T602 PolarHBondContact OD2-OG1 2.64Å; D599-T602 VanDerWaalsContact OD2-OG1 3.08Å; D599-A603 VanDerWaalsContact O-CB 3.3Å; D599-A603 WeakPolarHBondContact O-CB 3.49Å; D599-A603 PolarHBondContact O-N 3.15Å
600	K	90.8	Very high	92.8	Very high	92 Å²	92	66.2 Å²	66.2	40%	0.4	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.6	177.5	69.1	-168.5	173.2	-149.6	0	115.1	F581 D585	F581-K600 HydrophobicContact CB-CB 4.17Å; F581-K600 HydrophobicContact CD1-CB 3.89Å; F581-K600 HydrophobicContact CD2-CB 3.85Å; F581-K600 HydrophobicContact CE1-CB 4.25Å; F581-K600 HydrophobicContact CE2-CB 4.21Å; F581-K600 HydrophobicContact CG-CB 3.69Å; F581-K600 HydrophobicContact CZ-CB 4.4Å; D585-K600 IonicContact OD1-NZ 3.56Å; D585-K600 PolarHBondContact OD1-NZ 2.96Å; D585-K600 IonicContact OD2-NZ 2.7Å; D585-K600 PolarHBondContact OD2-NZ 2.86Å
601	H	89.1	Confident	92.6	Very high	141 Å²	141	60.5 Å²	60.5	65%	0.653	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-18.5	-179	-60.6	-61	0	0	0	113.6	D599	D599-H601 PolarHBondContact O-N 3.49Å; D599-H601 IonicContact OD1-CD2 3.02Å; D599-H601 PolarHBondContact OD1-CD2 2.86Å; D599-H601 IonicContact OD1-CG 3.29Å; D599-H601 PolarHBondContact OD1-N 3.34Å; D599-H601 VanDerWaalsContact OD1-N 3.17Å
602	T	88.4	Confident	92.6	Very high	111 Å²	111	60.5 Å²	60.5	68%	0.681	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-18.3	-174.3	59.3	0	0	0	0	113.4	D599 S604	D599-T602 WeakPolarHBondContact CB-OG1 3.21Å; D599-T602 PolarHBondContact O-N 3.17Å; D599-T602 VanDerWaalsContact O-N 3.12Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.43Å; D599-T602 PolarHBondContact OD2-OG1 2.64Å; D599-T602 VanDerWaalsContact OD2-OG1 3.08Å; T602-S604 PolarHBondContact O-N 3.5Å
603	A	87.6	Confident	92.7	Very high	27 Å²	27	58.1 Å²	58.1	22%	0.223	31%	0.312	C	S	.	.			trans	-63.4	129.6	179.1	0	0	0	0	0	112.1	F581 M597 D599	F581-A603 HydrophobicContact CE1-CB 3.73Å; F581-A603 HydrophobicContact CZ-CB 4.08Å; M597-A603 HydrophobicContact CE-CB 3.98Å; D599-A603 VanDerWaalsContact O-CB 3.3Å; D599-A603 WeakPolarHBondContact O-CB 3.49Å; D599-A603 PolarHBondContact O-N 3.15Å
604	S	91.5	Very high	92.5	Very high	37 Å²	37	52.2 Å²	52.2	26%	0.259	29%	0.286	S	S	.	.			trans	-102.1	99.9	167.2	180	0	0	0	0	108.6	T602 E606 K607 S608	T602-S604 PolarHBondContact O-N 3.5Å; S604-E606 PolarHBondContact O-N 3.28Å; S604-K607 WeakPolarHBondContact OG-CG 3.33Å; S604-S608 WeakPolarHBondContact O-CB 3.33Å; S604-S608 PolarHBondContact O-N 2.96Å; S604-S608 VanDerWaalsContact O-N 3.13Å; S604-S608 PolarHBondContact O-OG 3.4Å
605	V	93	Very high	92.2	Very high	36 Å²	36	58.3 Å²	58.3	22%	0.218	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-49.4	-174.2	176.9	0	0	0	0	111.1	T573 M577 K607 S608 Q609	T573-V605 HydrophobicContact CG2-CG1 3.66Å; M577-V605 HydrophobicContact CE-CG1 4.23Å; M577-V605 HydrophobicContact CG-CG1 4.01Å; M577-V605 HydrophobicContact CG-CG2 4.04Å; M577-V605 HydrophobicContact SD-CG1 4.41Å; M577-V605 HydrophobicContact SD-CG2 4.08Å; V605-K607 PolarHBondContact O-N 2.84Å; V605-S608 PolarHBondContact O-N 2.88Å; V605-Q609 HydrophobicContact CG1-CG 4.42Å; V605-Q609 WeakPolarHBondContact O-CG 3.33Å; V605-Q609 PolarHBondContact O-N 3.15Å
606	E	93.9	Very high	92.2	Very high	56 Å²	56	59.1 Å²	59.1	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-45.8	-173.7	-54.9	77.3	-170.7	0	0	111.8	S604 S608 Q609 V610 Y646 I650	S604-E606 PolarHBondContact O-N 3.28Å; E606-S608 VanDerWaalsContact C-N 3.28Å; E606-S608 PolarHBondContact O-N 2.84Å; E606-Q609 PolarHBondContact O-N 3.05Å; E606-V610 WeakPolarHBondContact O-CG2 3.47Å; E606-V610 PolarHBondContact O-N 3.09Å; E606-Y646 HydrophobicContact CB-CD1 4.3Å; E606-Y646 HydrophobicContact CG-CD1 4.36Å; E606-I650 HydrophobicContact CB-CG1 3.65Å
607	K	92.3	Very high	92.6	Very high	112 Å²	112	53.4 Å²	53.4	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-39.3	176.5	-71.5	-177.8	-178.2	177.3	0	111.6	S604 V605 V610 G611 I650	S604-K607 WeakPolarHBondContact OG-CG 3.33Å; V605-K607 PolarHBondContact O-N 2.84Å; K607-V610 PolarHBondContact O-N 3.27Å; K607-G611 PolarHBondContact O-N 3.23Å; K607-I650 HydrophobicContact CD-CG2 4.46Å; K607-I650 HydrophobicContact CG-CD1 3.84Å; K607-I650 HydrophobicContact CG-CG1 3.97Å; K607-I650 HydrophobicContact CG-CG2 3.97Å
608	S	92.6	Very high	93	Very high	32 Å²	32	53 Å²	53	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-71.8	-34	180	-61.5	0	0	0	0	112.6	M597 S604 V605 E606 F612	M597-S608 WeakPolarHBondContact CE-OG 3.49Å; M597-S608 PolarHBondContact SD-OG 3.29Å; S604-S608 WeakPolarHBondContact O-CB 3.33Å; S604-S608 PolarHBondContact O-N 2.96Å; S604-S608 VanDerWaalsContact O-N 3.13Å; S604-S608 PolarHBondContact O-OG 3.4Å; V605-S608 PolarHBondContact O-N 2.88Å; E606-S608 VanDerWaalsContact C-N 3.28Å; E606-S608 PolarHBondContact O-N 2.84Å; S608-F612 WeakPolarHBondContact O-CB 3.35Å; S608-F612 PolarHBondContact O-N 2.73Å
609	Q	97.1	Very high	93.1	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-42.8	171	-65.1	-51.7	-94.4	0	0	111.7	Y569 T573 M577 V605 E606 F612 I613 Y646	Y569-Q609 PolarHBondContact OH-OE1 3.3Å; T573-Q609 HydrophobicContact CG2-CG 3.69Å; T573-Q609 PolarHBondContact OG1-OE1 3.35Å; M577-Q609 VanDerWaalsContact CE-NE2 3.32Å; V605-Q609 HydrophobicContact CG1-CG 4.42Å; V605-Q609 WeakPolarHBondContact O-CG 3.33Å; V605-Q609 PolarHBondContact O-N 3.15Å; E606-Q609 PolarHBondContact O-N 3.05Å; Q609-F612 PolarHBondContact O-N 2.88Å; Q609-I613 VanDerWaalsContact O-CG1 3.31Å; Q609-I613 WeakPolarHBondContact O-CG1 3.09Å; Q609-I613 PolarHBondContact O-N 2.75Å; Q609-Y646 HydrophobicContact CB-CD1 3.92Å; Q609-Y646 HydrophobicContact CB-CD2 4.11Å; Q609-Y646 HydrophobicContact CB-CE1 4.19Å; Q609-Y646 HydrophobicContact CB-CE2 4.38Å; Q609-Y646 HydrophobicContact CB-CG 3.87Å; Q609-Y646 HydrophobicContact CG-CD1 4.05Å; Q609-Y646 HydrophobicContact CG-CE1 3.81Å; Q609-Y646 HydrophobicContact CG-CE2 4.34Å; Q609-Y646 HydrophobicContact CG-CG 4.39Å
610	V	95.9	Very high	93.3	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-49.1	174.8	174.2	0	0	0	0	111.1	E606 K607 F612 I613 D614 R643 Q647 I650	E606-V610 WeakPolarHBondContact O-CG2 3.47Å; E606-V610 PolarHBondContact O-N 3.09Å; K607-V610 PolarHBondContact O-N 3.27Å; V610-F612 PolarHBondContact O-N 3.45Å; V610-I613 PolarHBondContact O-N 3.23Å; V610-D614 WeakPolarHBondContact O-CB 3.29Å; V610-D614 VanDerWaalsContact O-CG 3.3Å; V610-D614 PolarHBondContact O-N 2.94Å; V610-R643 VanDerWaalsContact CG1-NH2 3.3Å; V610-Q647 HydrophobicContact CG2-CB 3.98Å; V610-I650 HydrophobicContact CG2-CD1 4.18Å
611	G	90.9	Very high	93.7	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-40.8	178.4	0	0	0	0	0	113	K607 I613 D614 Y615	K607-G611 PolarHBondContact O-N 3.23Å; G611-I613 VanDerWaalsContact C-N 3.32Å; G611-I613 PolarHBondContact O-N 3.27Å; G611-D614 PolarHBondContact O-N 2.76Å; G611-Y615 WeakPolarHBondContact O-CB 3.49Å; G611-Y615 WeakPolarHBondContact O-CD2 3.37Å; G611-Y615 PolarHBondContact O-N 2.82Å
612	F	96.6	Very high	94	Very high	72 Å²	72	46.3 Å²	46.3	32%	0.316	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-41.5	175.6	178.6	-120.6	0	0	0	111.8	L559 P562 S608 Q609 V610 I616 V617	L559-F612 HydrophobicContact CD2-CE2 4.34Å; L559-F612 HydrophobicContact CD2-CZ 3.77Å; P562-F612 HydrophobicContact CG-CD1 4.29Å; P562-F612 HydrophobicContact CG-CE1 4Å; S608-F612 WeakPolarHBondContact O-CB 3.35Å; S608-F612 PolarHBondContact O-N 2.73Å; Q609-F612 PolarHBondContact O-N 2.88Å; V610-F612 PolarHBondContact O-N 3.45Å; F612-I616 HydrophobicContact CD2-CB 3.98Å; F612-I616 HydrophobicContact CD2-CG1 4.12Å; F612-I616 HydrophobicContact CD2-CG2 4.34Å; F612-I616 HydrophobicContact CE2-CB 4.05Å; F612-I616 HydrophobicContact CE2-CG1 4.43Å; F612-I616 HydrophobicContact CE2-CG2 3.89Å; F612-I616 WeakPolarHBondContact O-CB 3.23Å; F612-I616 PolarHBondContact O-N 3.29Å; F612-I616 VanDerWaalsContact O-N 3.09Å; F612-V617 HydrophobicContact CD1-CG2 3.63Å; F612-V617 HydrophobicContact CD2-CG2 4.3Å; F612-V617 HydrophobicContact CE1-CG2 3.31Å; F612-V617 HydrophobicContact CE2-CG2 4.02Å; F612-V617 HydrophobicContact CG-CG2 4.14Å; F612-V617 HydrophobicContact CZ-CG2 3.53Å; F612-V617 PolarHBondContact O-N 3.18Å; F612-V617 VanDerWaalsContact O-N 3.11Å
613	I	97.4	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-65.1	-53.2	175.2	-65.3	166.5	0	0	0	110.8	P562 Y569 Q609 V610 G611 Y615 V617 H618 L639 R643	P562-I613 HydrophobicContact CB-CD1 4.09Å; P562-I613 HydrophobicContact CB-CG1 3.9Å; P562-I613 HydrophobicContact CG-CG1 4.43Å; Y569-I613 HydrophobicContact CE1-CD1 4.19Å; Q609-I613 VanDerWaalsContact O-CG1 3.31Å; Q609-I613 WeakPolarHBondContact O-CG1 3.09Å; Q609-I613 PolarHBondContact O-N 2.75Å; V610-I613 PolarHBondContact O-N 3.23Å; G611-I613 VanDerWaalsContact C-N 3.32Å; G611-I613 PolarHBondContact O-N 3.27Å; I613-Y615 VanDerWaalsContact C-N 3.33Å; I613-Y615 PolarHBondContact O-N 3.01Å; I613-V617 PolarHBondContact O-N 3.38Å; I613-H618 HydrophobicContact CG2-CB 4.1Å; I613-H618 WeakPolarHBondContact O-CB 3.38Å; I613-H618 PolarHBondContact O-N 3.37Å; I613-L639 HydrophobicContact CD1-CD1 4.27Å; I613-L639 HydrophobicContact CG1-CD1 4.09Å; I613-L639 HydrophobicContact CG2-CD1 3.69Å; I613-L639 HydrophobicContact CG2-CD2 4.49Å; I613-L639 HydrophobicContact CG2-CG 4.04Å; I613-R643 HydrophobicContact CB-CB 4.47Å; I613-R643 HydrophobicContact CB-CG 4.18Å; I613-R643 HydrophobicContact CD1-CB 3.81Å; I613-R643 HydrophobicContact CD1-CG 4.22Å; I613-R643 HydrophobicContact CG2-CB 3.95Å; I613-R643 HydrophobicContact CG2-CG 3.84Å
614	D	91.3	Very high	94.7	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	20%	0.203	S	C	.	.	I	π-helix	trans	-61.9	-37.4	-173.7	-70.8	-10.8	0	0	0	113.1	V610 G611 R643	V610-D614 WeakPolarHBondContact O-CB 3.29Å; V610-D614 VanDerWaalsContact O-CG 3.3Å; V610-D614 PolarHBondContact O-N 2.94Å; G611-D614 PolarHBondContact O-N 2.76Å; D614-R643 IonicContact OD1-CZ 3.5Å; D614-R643 IonicContact OD1-NE 3.17Å; D614-R643 PolarHBondContact OD1-NE 3.09Å; D614-R643 IonicContact OD1-NH2 3.88Å; D614-R643 PolarHBondContact OD1-NH2 2.9Å; D614-R643 IonicContact OD2-CZ 3.72Å; D614-R643 IonicContact OD2-NE 3.45Å; D614-R643 IonicContact OD2-NH2 3.6Å; D614-R643 PolarHBondContact OD2-NH2 3.24Å
615	Y	89.5	Confident	94.9	Very high	174 Å²	174	39 Å²	39	68%	0.682	19%	0.193	S	C	*	.	I	π-helix	trans	-101.8	-20.7	-171.1	-61.8	-59.3	0	0	0	115	G611 I613	G611-Y615 WeakPolarHBondContact O-CB 3.49Å; G611-Y615 WeakPolarHBondContact O-CD2 3.37Å; G611-Y615 PolarHBondContact O-N 2.82Å; I613-Y615 VanDerWaalsContact C-N 3.33Å; I613-Y615 PolarHBondContact O-N 3.01Å
616	I	95	Very high	94.9	Very high	46 Å²	46	41.2 Å²	41.2	24%	0.236	20%	0.204	C	C	.	.	I	π-helix	trans	-124.7	-57.9	-173.3	-54.7	-64	0	0	0	111.1	H516 M517 L559 F612 L620	H516-I616 VanDerWaalsContact CE1-CG2 3.48Å; H516-I616 WeakPolarHBondContact CE1-CG2 3.46Å; H516-I616 PolarHBondContact CE1-O 2.93Å; M517-I616 HydrophobicContact CE-CD1 3.94Å; L559-I616 HydrophobicContact CD1-CG2 4.26Å; F612-I616 HydrophobicContact CD2-CB 3.98Å; F612-I616 HydrophobicContact CD2-CG1 4.12Å; F612-I616 HydrophobicContact CD2-CG2 4.34Å; F612-I616 HydrophobicContact CE2-CB 4.05Å; F612-I616 HydrophobicContact CE2-CG1 4.43Å; F612-I616 HydrophobicContact CE2-CG2 3.89Å; F612-I616 WeakPolarHBondContact O-CB 3.23Å; F612-I616 PolarHBondContact O-N 3.29Å; F612-I616 VanDerWaalsContact O-N 3.09Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 PolarHBondContact O-N 3.49Å
617	V	98.1	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-78	-45.7	-167.6	-176.9	0	0	0	0	111.5	P562 T563 F612 I613 L620 W621 L639	P562-V617 HydrophobicContact CB-CG1 4.17Å; P562-V617 HydrophobicContact CG-CG1 4.11Å; P562-V617 HydrophobicContact CG-CG2 4.12Å; T563-V617 HydrophobicContact CG2-CG1 4.45Å; F612-V617 HydrophobicContact CD1-CG2 3.63Å; F612-V617 HydrophobicContact CD2-CG2 4.3Å; F612-V617 HydrophobicContact CE1-CG2 3.31Å; F612-V617 HydrophobicContact CE2-CG2 4.02Å; F612-V617 HydrophobicContact CG-CG2 4.14Å; F612-V617 HydrophobicContact CZ-CG2 3.53Å; F612-V617 PolarHBondContact O-N 3.18Å; F612-V617 VanDerWaalsContact O-N 3.11Å; I613-V617 PolarHBondContact O-N 3.38Å; V617-L620 PolarHBondContact O-N 2.85Å; V617-W621 VanDerWaalsContact CG1-CD1 3.46Å; V617-W621 WeakPolarHBondContact O-CB 3.39Å; V617-W621 VanDerWaalsContact O-CD1 3.31Å; V617-W621 PolarHBondContact O-N 3.14Å; V617-L639 HydrophobicContact CG1-CD1 3.95Å; V617-L639 HydrophobicContact CG1-CD2 4.16Å
618	H	95.5	Very high	94.9	Very high	46 Å²	46	33.6 Å²	33.6	21%	0.213	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-48.9	-179	-170.7	-66.5	0	0	0	112.6	I613 L620 W621 E622 L639 E640	I613-H618 HydrophobicContact CG2-CB 4.1Å; I613-H618 WeakPolarHBondContact O-CB 3.38Å; I613-H618 PolarHBondContact O-N 3.37Å; H618-L620 VanDerWaalsContact C-N 3.26Å; H618-L620 PolarHBondContact O-N 3.48Å; H618-W621 PolarHBondContact O-N 3.41Å; H618-E622 IonicContact ND1-OE2 3.67Å; H618-E622 WeakPolarHBondContact O-CB 3.4Å; H618-E622 PolarHBondContact O-N 3.47Å; H618-L639 HydrophobicContact CB-CD2 4.12Å; H618-E640 IonicContact NE2-OE1 3.99Å
619	P	96.1	Very high	94.8	Very high	34 Å²	34	37.9 Å²	37.9	22%	0.221	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-36.7	177.4	-24.9	35.6	0	0	0	113.3	L520 T623	L520-P619 HydrophobicContact CD2-CB 4.12Å; P619-T623 WeakPolarHBondContact O-CB 3.36Å; P619-T623 PolarHBondContact O-N 2.85Å; P619-T623 VanDerWaalsContact O-N 3.13Å; P619-T623 PolarHBondContact O-OG1 3.34Å
620	L	96.9	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-53	176.5	176	63.3	0	0	0	111.6	L520 L523 L559 I616 V617 H618 E622 T623 W624	L520-L620 HydrophobicContact CD1-CD1 4.49Å; L523-L620 HydrophobicContact CD2-CD1 4.26Å; L559-L620 HydrophobicContact CB-CD2 4.21Å; L559-L620 HydrophobicContact CD1-CD2 3.6Å; L559-L620 HydrophobicContact CG-CD2 4.49Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 PolarHBondContact O-N 3.49Å; V617-L620 PolarHBondContact O-N 2.85Å; H618-L620 VanDerWaalsContact C-N 3.26Å; H618-L620 PolarHBondContact O-N 3.48Å; L620-E622 VanDerWaalsContact C-N 3.35Å; L620-E622 PolarHBondContact O-N 2.94Å; L620-T623 PolarHBondContact O-N 2.96Å; L620-W624 WeakPolarHBondContact O-CB 3.31Å; L620-W624 PolarHBondContact O-N 3.24Å
621	W	98.2	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.4	-31.9	-178.1	-82.8	100.2	0	0	0	112.9	W342 L415 C556 L559 T563 V617 H618 W624 G625 I635 L636 L639	W342-W621 AromaticContact CH2-CH2 3.53Å; W342-W621 HydrophobicContact CH2-CH2 3.53Å; W342-W621 AromaticContact CH2-CZ2 3.99Å; W342-W621 HydrophobicContact CH2-CZ2 3.99Å; W342-W621 AromaticContact CZ2-CH2 3.65Å; W342-W621 HydrophobicContact CZ2-CH2 3.65Å; W342-W621 AromaticContact CZ2-CZ2 3.9Å; W342-W621 HydrophobicContact CZ2-CZ2 3.9Å; W342-W621 HydrophobicContact CZ3-CH2 4.5Å; L415-W621 HydrophobicContact CD1-CH2 4.2Å; L415-W621 HydrophobicContact CD2-CH2 4.11Å; L415-W621 HydrophobicContact CD2-CZ3 4.19Å; C556-W621 HydrophobicContact CB-CH2 4.09Å; C556-W621 HydrophobicContact CB-CZ2 3.93Å; C556-W621 WeakPolarHBondContact O-CZ2 3.37Å; L559-W621 PolarHBondContact O-NE1 3.4Å; L559-W621 VanDerWaalsContact O-NE1 3.11Å; T563-W621 HydrophobicContact CG2-CD2 3.92Å; T563-W621 HydrophobicContact CG2-CG 3.9Å; T563-W621 HydrophobicContact CG2-CZ2 4.26Å; V617-W621 VanDerWaalsContact CG1-CD1 3.46Å; V617-W621 WeakPolarHBondContact O-CB 3.39Å; V617-W621 VanDerWaalsContact O-CD1 3.31Å; V617-W621 PolarHBondContact O-N 3.14Å; H618-W621 PolarHBondContact O-N 3.41Å; W621-W624 AromaticContact CE3-CD1 3.85Å; W621-W624 HydrophobicContact CE3-CG 4.38Å; W621-W624 AromaticContact CZ3-CD1 3.73Å; W621-W624 HydrophobicContact CZ3-CG 4.46Å; W621-W624 PolarHBondContact O-N 3.28Å; W621-G625 PolarHBondContact O-N 2.93Å; W621-I635 HydrophobicContact CD2-CG2 4.19Å; W621-I635 HydrophobicContact CE3-CG2 3.74Å; W621-I635 HydrophobicContact CH2-CD1 4.41Å; W621-I635 HydrophobicContact CH2-CG2 4.14Å; W621-I635 HydrophobicContact CZ3-CD1 3.99Å; W621-I635 HydrophobicContact CZ3-CG2 3.73Å; W621-L636 HydrophobicContact CB-CD2 3.88Å; W621-L639 HydrophobicContact CB-CD2 4.13Å
622	E	96.1	Very high	94.7	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-49.4	172.2	-179.1	179.4	-151.8	0	0	110	H618 L620 W624 G625 D626	H618-E622 IonicContact ND1-OE2 3.67Å; H618-E622 WeakPolarHBondContact O-CB 3.4Å; H618-E622 PolarHBondContact O-N 3.47Å; L620-E622 VanDerWaalsContact C-N 3.35Å; L620-E622 PolarHBondContact O-N 2.94Å; E622-W624 VanDerWaalsContact C-N 3.34Å; E622-W624 PolarHBondContact O-N 3.47Å; E622-G625 PolarHBondContact O-N 3.46Å; E622-G625 VanDerWaalsContact O-N 3.16Å; E622-D626 PolarHBondContact O-N 3.38Å
623	T	93.5	Very high	94.7	Very high	16 Å²	16	43.8 Å²	43.8	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-38.1	178.4	-49.9	0	0	0	0	111.6	L520 L523 K524 V527 P619 L620 D626 L627	L520-T623 HydrophobicContact CD1-CG2 4.37Å; L520-T623 WeakPolarHBondContact CD1-OG1 3.19Å; L523-T623 HydrophobicContact CB-CG2 4.21Å; L523-T623 HydrophobicContact CD2-CG2 3.9Å; L523-T623 HydrophobicContact CG-CG2 3.76Å; K524-T623 HydrophobicContact CB-CG2 4.07Å; V527-T623 HydrophobicContact CG2-CG2 3.98Å; V527-T623 WeakPolarHBondContact CG2-O 3.41Å; P619-T623 WeakPolarHBondContact O-CB 3.36Å; P619-T623 PolarHBondContact O-N 2.85Å; P619-T623 VanDerWaalsContact O-N 3.13Å; P619-T623 PolarHBondContact O-OG1 3.34Å; L620-T623 PolarHBondContact O-N 2.96Å; T623-D626 PolarHBondContact O-N 3.42Å; T623-L627 PolarHBondContact O-N 3.29Å; T623-L627 VanDerWaalsContact O-N 3.11Å
624	W	97.1	Very high	94.6	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-46.1	171.9	178.4	-93.9	0	0	0	111.4	L415 L421 L523 V549 N552 M553 L620 W621 E622 D626 L627 V628	L415-W624 HydrophobicContact CB-CZ2 4.31Å; L415-W624 HydrophobicContact CD1-CZ2 4.49Å; L415-W624 HydrophobicContact CD2-CZ2 4.28Å; L421-W624 HydrophobicContact CD1-CH2 4.14Å; L421-W624 HydrophobicContact CD1-CZ2 4.2Å; L523-W624 HydrophobicContact CD2-CB 4.45Å; V549-W624 HydrophobicContact CG1-CH2 4.17Å; V549-W624 HydrophobicContact CG1-CZ3 4.14Å; N552-W624 HydrophobicContact CB-CZ3 4.46Å; M553-W624 HydrophobicContact CB-CH2 3.66Å; M553-W624 HydrophobicContact CB-CZ3 3.96Å; M553-W624 HydrophobicContact CE-CH2 3.75Å; M553-W624 HydrophobicContact CE-CZ2 4.27Å; M553-W624 HydrophobicContact CG-CH2 3.88Å; M553-W624 HydrophobicContact CG-CZ2 4.36Å; L620-W624 WeakPolarHBondContact O-CB 3.31Å; L620-W624 PolarHBondContact O-N 3.24Å; W621-W624 AromaticContact CE3-CD1 3.85Å; W621-W624 HydrophobicContact CE3-CG 4.38Å; W621-W624 AromaticContact CZ3-CD1 3.73Å; W621-W624 HydrophobicContact CZ3-CG 4.46Å; W621-W624 PolarHBondContact O-N 3.28Å; E622-W624 VanDerWaalsContact C-N 3.34Å; E622-W624 PolarHBondContact O-N 3.47Å; W624-D626 VanDerWaalsContact C-N 3.3Å; W624-D626 PolarHBondContact O-N 3.13Å; W624-L627 VanDerWaalsContact O-CB 3.32Å; W624-L627 WeakPolarHBondContact O-CB 3.41Å; W624-L627 PolarHBondContact O-N 3.45Å; W624-V628 HydrophobicContact CZ2-CG1 4.32Å; W624-V628 WeakPolarHBondContact O-CG2 3.33Å; W624-V628 PolarHBondContact O-N 2.91Å; W624-V628 VanDerWaalsContact O-N 3.1Å
625	G	96.1	Very high	94.9	Very high	6 Å²	6	49.7 Å²	49.7	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-38.9	177.6	0	0	0	0	0	112.5	W621 E622 L627 V628 H629	W621-G625 PolarHBondContact O-N 2.93Å; E622-G625 PolarHBondContact O-N 3.46Å; E622-G625 VanDerWaalsContact O-N 3.16Å; G625-L627 VanDerWaalsContact C-N 3.33Å; G625-L627 PolarHBondContact O-N 2.87Å; G625-V628 CarbonylContact O-C 3.55Å; G625-V628 PolarHBondContact O-N 3.03Å; G625-H629 WeakPolarHBondContact O-CA 3.43Å; G625-H629 VanDerWaalsContact O-CB 3.3Å; G625-H629 WeakPolarHBondContact O-CB 3.38Å; G625-H629 PolarHBondContact O-N 2.79Å
626	D	92.6	Very high	95.3	Very high	82 Å²	82	42.3 Å²	42.3	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-37.1	172.1	-79.1	-20.3	0	0	0	112.3	V527 K530 E622 T623 W624	V527-D626 HydrophobicContact CG1-CB 3.81Å; V527-D626 HydrophobicContact CG2-CB 4.29Å; K530-D626 PolarHBondContact NZ-O 2.74Å; E622-D626 PolarHBondContact O-N 3.38Å; T623-D626 PolarHBondContact O-N 3.42Å; W624-D626 VanDerWaalsContact C-N 3.3Å; W624-D626 PolarHBondContact O-N 3.13Å
627	L	91.9	Very high	95.5	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-49.3	177.7	-175.8	64.8	0	0	0	111	L523 M526 V527 K530 L538 V549 T623 W624 G625	L523-L627 HydrophobicContact CD1-CD2 3.76Å; M526-L627 HydrophobicContact CG-CD1 4.2Å; M526-L627 HydrophobicContact SD-CD1 4.34Å; M526-L627 HydrophobicContact SD-CD2 4.4Å; V527-L627 HydrophobicContact CG2-CB 3.84Å; V527-L627 HydrophobicContact CG2-CD1 4.19Å; K530-L627 HydrophobicContact CD-CD1 4.48Å; K530-L627 PolarHBondContact NZ-O 3.29Å; L538-L627 HydrophobicContact CD1-CD1 4.06Å; L538-L627 HydrophobicContact CD2-CD1 3.9Å; L538-L627 HydrophobicContact CD2-CD2 4.29Å; L538-L627 HydrophobicContact CD2-CG 4.13Å; V549-L627 HydrophobicContact CG1-CD2 4.46Å; V549-L627 HydrophobicContact CG2-CD2 4.2Å; T623-L627 PolarHBondContact O-N 3.29Å; T623-L627 VanDerWaalsContact O-N 3.11Å; W624-L627 VanDerWaalsContact O-CB 3.32Å; W624-L627 WeakPolarHBondContact O-CB 3.41Å; W624-L627 PolarHBondContact O-N 3.45Å; G625-L627 VanDerWaalsContact C-N 3.33Å; G625-L627 PolarHBondContact O-N 2.87Å
628	V	94.9	Very high	95.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.237	C	C	.	.	S	Bend	trans	-103.3	17.9	-173.3	-57.2	0	0	0	0	114.3	T418 A420 L421 W624 G625 D631 A632	T418-V628 HydrophobicContact CG2-CB 3.76Å; T418-V628 HydrophobicContact CG2-CG1 4.06Å; T418-V628 HydrophobicContact CG2-CG2 4.07Å; A420-V628 HydrophobicContact CB-CB 3.94Å; A420-V628 HydrophobicContact CB-CG1 4.24Å; L421-V628 HydrophobicContact CD1-CG1 4.19Å; L421-V628 HydrophobicContact CD2-CG1 4.45Å; L421-V628 HydrophobicContact CG-CG1 4.18Å; W624-V628 HydrophobicContact CZ2-CG1 4.32Å; W624-V628 WeakPolarHBondContact O-CG2 3.33Å; W624-V628 PolarHBondContact O-N 2.91Å; W624-V628 VanDerWaalsContact O-N 3.1Å; G625-V628 CarbonylContact O-C 3.55Å; G625-V628 PolarHBondContact O-N 3.03Å; V628-D631 HydrophobicContact CG2-CB 4.49Å; V628-D631 WeakPolarHBondContact O-CB 3.5Å; V628-D631 PolarHBondContact O-N 3.1Å; V628-A632 HydrophobicContact CG2-CB 3.97Å
629	H	90.8	Very high	95.7	Very high	123 Å²	123	43.3 Å²	43.3	57%	0.569	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	132.5	-176.5	172.5	-77	0	0	0	112	G625	G625-H629 WeakPolarHBondContact O-CA 3.43Å; G625-H629 VanDerWaalsContact O-CB 3.3Å; G625-H629 WeakPolarHBondContact O-CB 3.38Å; G625-H629 PolarHBondContact O-N 2.79Å
630	P	93.4	Very high	95.8	Very high	82 Å²	82	46.3 Å²	46.3	53%	0.532	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	8.9	11.3	37.9	-35.6	0	0	0	115.2	A632 Q633	P630-A632 VanDerWaalsContact C-N 3.28Å; P630-A632 PolarHBondContact O-N 3.46Å; P630-A632 VanDerWaalsContact O-N 3.12Å; P630-Q633 PolarHBondContact O-N 3.39Å
631	D	92.9	Very high	95.8	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.6	-159.2	-60.7	-36.7	0	0	0	114.9	T418 P419 A420 V628	T418-D631 HydrophobicContact CG2-CB 3.55Å; T418-D631 VanDerWaalsContact CG2-OD2 3.22Å; T418-D631 WeakPolarHBondContact CG2-OD2 3.49Å; P419-D631 WeakPolarHBondContact CD-OD2 3.46Å; A420-D631 WeakPolarHBondContact CB-OD2 3.41Å; A420-D631 PolarHBondContact N-OD2 3.26Å; V628-D631 HydrophobicContact CG2-CB 4.49Å; V628-D631 WeakPolarHBondContact O-CB 3.5Å; V628-D631 PolarHBondContact O-N 3.1Å
632	A	94.9	Very high	95.8	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7.3	-178.2	0	0	0	0	0	114.3	V628 P630 E634 I635 L636	V628-A632 HydrophobicContact CG2-CB 3.97Å; P630-A632 VanDerWaalsContact C-N 3.28Å; P630-A632 PolarHBondContact O-N 3.46Å; P630-A632 VanDerWaalsContact O-N 3.12Å; A632-E634 PolarHBondContact O-N 2.71Å; A632-I635 WeakPolarHBondContact O-CB 3.37Å; A632-I635 PolarHBondContact O-N 3.45Å; A632-I635 VanDerWaalsContact O-N 3.11Å; A632-L636 PolarHBondContact O-N 2.93Å; A632-L636 VanDerWaalsContact O-N 3.15Å
633	Q	95.9	Very high	96	Very high	84 Å²	84	50.1 Å²	50.1	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-42.5	-173.4	-170.4	61.7	53.8	0	0	112.7	P630 I635 L636 D637	P630-Q633 PolarHBondContact O-N 3.39Å; Q633-I635 PolarHBondContact O-N 2.81Å; Q633-L636 WeakPolarHBondContact O-CB 3.35Å; Q633-L636 PolarHBondContact O-N 3.25Å; Q633-L636 VanDerWaalsContact O-N 3.11Å; Q633-D637 PolarHBondContact NE2-OD1 3.44Å; Q633-D637 VanDerWaalsContact O-CG 3.24Å; Q633-D637 PolarHBondContact O-N 3.26Å
634	E	96.4	Very high	96.2	Very high	162 Å²	162	53.9 Å²	53.9	76%	0.757	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-30.5	178.2	-63.7	-175.9	178.5	0	0	112.6	A632 T638	A632-E634 PolarHBondContact O-N 2.71Å; E634-T638 WeakPolarHBondContact O-CB 3.31Å; E634-T638 PolarHBondContact O-N 2.73Å; E634-T638 VanDerWaalsContact O-N 3.09Å; E634-T638 PolarHBondContact O-OG1 3.21Å
635	I	98	Very high	96.2	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.092	29%	0.291	C	S	.	.	H	α-helix	trans	-69.1	-42.6	176.1	-59.6	179.8	0	0	0	109.9	W342 T563 W621 A632 Q633 L639	W342-I635 HydrophobicContact CD2-CD1 3.91Å; W342-I635 HydrophobicContact CD2-CG1 4.3Å; W342-I635 HydrophobicContact CE3-CD1 4.23Å; W342-I635 HydrophobicContact CG-CD1 4.25Å; W342-I635 HydrophobicContact CG-CG1 4.19Å; W342-I635 HydrophobicContact CZ2-CD1 4.29Å; W342-I635 HydrophobicContact CZ2-CG2 4.37Å; T563-I635 HydrophobicContact CG2-CG2 3.83Å; T563-I635 WeakPolarHBondContact OG1-CG2 3.42Å; W621-I635 HydrophobicContact CD2-CG2 4.19Å; W621-I635 HydrophobicContact CE3-CG2 3.74Å; W621-I635 HydrophobicContact CH2-CD1 4.41Å; W621-I635 HydrophobicContact CH2-CG2 4.14Å; W621-I635 HydrophobicContact CZ3-CD1 3.99Å; W621-I635 HydrophobicContact CZ3-CG2 3.73Å; A632-I635 WeakPolarHBondContact O-CB 3.37Å; A632-I635 PolarHBondContact O-N 3.45Å; A632-I635 VanDerWaalsContact O-N 3.11Å; Q633-I635 PolarHBondContact O-N 2.81Å; I635-L639 WeakPolarHBondContact O-CB 3.49Å; I635-L639 PolarHBondContact O-N 3.3Å
636	L	98.1	Very high	96.3	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-45.3	176.2	-72	172.4	0	0	0	112	W621 A632 Q633 T638 L639 E640	W621-L636 HydrophobicContact CB-CD2 3.88Å; A632-L636 PolarHBondContact O-N 2.93Å; A632-L636 VanDerWaalsContact O-N 3.15Å; Q633-L636 WeakPolarHBondContact O-CB 3.35Å; Q633-L636 PolarHBondContact O-N 3.25Å; Q633-L636 VanDerWaalsContact O-N 3.11Å; L636-T638 VanDerWaalsContact C-N 3.29Å; L636-T638 PolarHBondContact O-N 3.13Å; L636-L639 WeakPolarHBondContact O-CB 3.46Å; L636-L639 PolarHBondContact O-N 3.34Å; L636-L639 VanDerWaalsContact O-N 3.08Å; L636-E640 PolarHBondContact O-N 3.28Å
637	D	98	Very high	96.5	Very high	72 Å²	72	57.9 Å²	57.9	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-43.2	177.6	-63	-8.7	0	0	0	110.5	Q633 L639 E640 D641	Q633-D637 PolarHBondContact NE2-OD1 3.44Å; Q633-D637 VanDerWaalsContact O-CG 3.24Å; Q633-D637 PolarHBondContact O-N 3.26Å; D637-L639 VanDerWaalsContact C-N 3.33Å; D637-L639 PolarHBondContact O-N 3.35Å; D637-E640 PolarHBondContact O-N 3.41Å; D637-D641 PolarHBondContact O-N 2.92Å
638	T	98.5	Very high	96.7	Very high	42 Å²	42	61.9 Å²	61.9	26%	0.258	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-37	175.9	-57.1	0	0	0	0	112.2	T563 E634 L636 N642	T563-T638 WeakPolarHBondContact O-CG2 3.49Å; E634-T638 WeakPolarHBondContact O-CB 3.31Å; E634-T638 PolarHBondContact O-N 2.73Å; E634-T638 VanDerWaalsContact O-N 3.09Å; E634-T638 PolarHBondContact O-OG1 3.21Å; L636-T638 VanDerWaalsContact C-N 3.29Å; L636-T638 PolarHBondContact O-N 3.13Å; T638-N642 VanDerWaalsContact O-CB 3.32Å; T638-N642 WeakPolarHBondContact O-CB 3.43Å; T638-N642 VanDerWaalsContact O-CG 3.23Å; T638-N642 PolarHBondContact O-N 3.15Å; T638-N642 PolarHBondContact O-ND2 2.59Å
639	L	98.6	Very high	96.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176.5	179.1	59.6	0	0	0	111.4	P562 T563 I613 V617 H618 W621 I635 L636 D637 N642 R643	P562-L639 HydrophobicContact CB-CD1 3.62Å; P562-L639 WeakPolarHBondContact O-CD1 3.36Å; T563-L639 HydrophobicContact CG2-CB 4.11Å; T563-L639 HydrophobicContact CG2-CD1 4.06Å; T563-L639 HydrophobicContact CG2-CD2 4.2Å; T563-L639 HydrophobicContact CG2-CG 4.35Å; I613-L639 HydrophobicContact CD1-CD1 4.27Å; I613-L639 HydrophobicContact CG1-CD1 4.09Å; I613-L639 HydrophobicContact CG2-CD1 3.69Å; I613-L639 HydrophobicContact CG2-CD2 4.49Å; I613-L639 HydrophobicContact CG2-CG 4.04Å; V617-L639 HydrophobicContact CG1-CD1 3.95Å; V617-L639 HydrophobicContact CG1-CD2 4.16Å; H618-L639 HydrophobicContact CB-CD2 4.12Å; W621-L639 HydrophobicContact CB-CD2 4.13Å; I635-L639 WeakPolarHBondContact O-CB 3.49Å; I635-L639 PolarHBondContact O-N 3.3Å; L636-L639 WeakPolarHBondContact O-CB 3.46Å; L636-L639 PolarHBondContact O-N 3.34Å; L636-L639 VanDerWaalsContact O-N 3.08Å; D637-L639 VanDerWaalsContact C-N 3.33Å; D637-L639 PolarHBondContact O-N 3.35Å; L639-N642 PolarHBondContact O-N 2.99Å; L639-R643 VanDerWaalsContact O-CB 3.28Å; L639-R643 WeakPolarHBondContact O-CB 3.49Å; L639-R643 PolarHBondContact O-N 2.93Å
640	E	98.2	Very high	96.7	Very high	96 Å²	96	59.9 Å²	59.9	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-47.6	176	-69.9	-175.9	-177	0	0	111.2	H618 L636 D637 N642 R643 D644	H618-E640 IonicContact NE2-OE1 3.99Å; L636-E640 PolarHBondContact O-N 3.28Å; D637-E640 PolarHBondContact O-N 3.41Å; E640-N642 PolarHBondContact O-N 3.42Å; E640-R643 WeakPolarHBondContact O-CB 3.44Å; E640-R643 PolarHBondContact O-N 3.4Å; E640-D644 PolarHBondContact O-N 3.3Å
641	D	98.5	Very high	96.3	Very high	117 Å²	117	60 Å²	60	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-58.4	-45.4	177.2	-81.9	-16.9	0	0	0	112.1	D637 D644 W645	D637-D641 PolarHBondContact O-N 2.92Å; D641-D644 PolarHBondContact O-N 3.14Å; D641-W645 WeakPolarHBondContact O-CB 3.46Å; D641-W645 PolarHBondContact O-N 3.46Å
642	N	98.6	Very high	95.4	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.027	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-39.7	178.1	-77.7	-21.6	0	0	0	111.9	P562 K564 L566 Y569 T638 L639 E640 W645 Y646	P562-N642 PolarHBondContact O-ND2 3.39Å; K564-N642 PolarHBondContact O-ND2 3.5Å; L566-N642 WeakPolarHBondContact CA-OD1 3.5Å; L566-N642 WeakPolarHBondContact CB-OD1 3.39Å; L566-N642 WeakPolarHBondContact CD1-OD1 3.3Å; Y569-N642 HydrophobicContact CD1-CB 3.93Å; Y569-N642 HydrophobicContact CE1-CB 4.12Å; T638-N642 VanDerWaalsContact O-CB 3.32Å; T638-N642 WeakPolarHBondContact O-CB 3.43Å; T638-N642 VanDerWaalsContact O-CG 3.23Å; T638-N642 PolarHBondContact O-N 3.15Å; T638-N642 PolarHBondContact O-ND2 2.59Å; L639-N642 PolarHBondContact O-N 2.99Å; E640-N642 PolarHBondContact O-N 3.42Å; N642-W645 PolarHBondContact O-N 3.47Å; N642-Y646 WeakPolarHBondContact O-CD2 3.45Å; N642-Y646 PolarHBondContact O-N 3.49Å
643	R	98.3	Very high	93.6	Very high	52 Å²	52	69.9 Å²	69.9	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-46.4	176.4	-176.9	-112	-180	-107.3	-10.9	111.3	V610 I613 D614 L639 E640 W645 Y646 Q647	V610-R643 VanDerWaalsContact CG1-NH2 3.3Å; I613-R643 HydrophobicContact CB-CB 4.47Å; I613-R643 HydrophobicContact CB-CG 4.18Å; I613-R643 HydrophobicContact CD1-CB 3.81Å; I613-R643 HydrophobicContact CD1-CG 4.22Å; I613-R643 HydrophobicContact CG2-CB 3.95Å; I613-R643 HydrophobicContact CG2-CG 3.84Å; D614-R643 IonicContact OD1-CZ 3.5Å; D614-R643 IonicContact OD1-NE 3.17Å; D614-R643 PolarHBondContact OD1-NE 3.09Å; D614-R643 IonicContact OD1-NH2 3.88Å; D614-R643 PolarHBondContact OD1-NH2 2.9Å; D614-R643 IonicContact OD2-CZ 3.72Å; D614-R643 IonicContact OD2-NE 3.45Å; D614-R643 IonicContact OD2-NH2 3.6Å; D614-R643 PolarHBondContact OD2-NH2 3.24Å; L639-R643 VanDerWaalsContact O-CB 3.28Å; L639-R643 WeakPolarHBondContact O-CB 3.49Å; L639-R643 PolarHBondContact O-N 2.93Å; E640-R643 WeakPolarHBondContact O-CB 3.44Å; E640-R643 PolarHBondContact O-N 3.4Å; R643-W645 VanDerWaalsContact C-N 3.33Å; R643-W645 PolarHBondContact O-N 2.76Å; R643-Y646 PolarHBondContact O-N 3.41Å; R643-Q647 WeakPolarHBondContact O-CB 3.36Å; R643-Q647 PolarHBondContact O-N 3.48Å
644	D	98.1	Very high	91.4	Very high	95 Å²	95	71.8 Å²	71.8	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-35.6	177.5	-82.1	-4.6	0	0	0	112.3	E640 D641 Q647 S648	E640-D644 PolarHBondContact O-N 3.3Å; D641-D644 PolarHBondContact O-N 3.14Å; D644-Q647 PolarHBondContact O-N 3.14Å; D644-S648 WeakPolarHBondContact O-CB 3.4Å; D644-S648 PolarHBondContact O-N 3.29Å
645	W	98.1	Very high	88.9	Confident	80 Å²	80	68.8 Å²	68.8	30%	0.303	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-49.5	172	-173.2	89.3	0	0	0	111.8	L566 R570 D641 N642 R643 Q647 S648 T649	L566-W645 HydrophobicContact CD1-CB 4.42Å; L566-W645 HydrophobicContact CD1-CD2 3.84Å; L566-W645 HydrophobicContact CD1-CE3 3.76Å; L566-W645 HydrophobicContact CD1-CG 4.12Å; L566-W645 HydrophobicContact CD1-CZ3 4.36Å; L566-W645 HydrophobicContact CD2-CB 4.43Å; L566-W645 HydrophobicContact CD2-CD2 3.77Å; L566-W645 HydrophobicContact CD2-CE3 4.49Å; L566-W645 HydrophobicContact CD2-CG 3.69Å; L566-W645 HydrophobicContact CG-CD2 4.4Å; R570-W645 HydrophobicContact CG-CH2 4.31Å; R570-W645 HydrophobicContact CG-CZ3 4.21Å; D641-W645 WeakPolarHBondContact O-CB 3.46Å; D641-W645 PolarHBondContact O-N 3.46Å; N642-W645 PolarHBondContact O-N 3.47Å; R643-W645 VanDerWaalsContact C-N 3.33Å; R643-W645 PolarHBondContact O-N 2.76Å; W645-Q647 VanDerWaalsContact C-N 3.34Å; W645-Q647 PolarHBondContact O-N 2.78Å; W645-S648 PolarHBondContact O-N 3.41Å; W645-S648 PolarHBondContact O-OG 3.18Å; W645-T649 HydrophobicContact CD2-CG2 4.21Å; W645-T649 HydrophobicContact CE3-CG2 4.31Å; W645-T649 HydrophobicContact CH2-CG2 4Å; W645-T649 HydrophobicContact CZ2-CG2 3.88Å; W645-T649 HydrophobicContact CZ3-CG2 4.21Å; W645-T649 WeakPolarHBondContact O-CG2 3.33Å; W645-T649 PolarHBondContact O-N 3.12Å; W645-T649 PolarHBondContact O-OG1 2.94Å
646	Y	97.4	Very high	86.6	Confident	11 Å²	11	73.4 Å²	73.4	4%	0.043	41%	0.413	C	S	.	.	H	α-helix	trans	-63.2	-39.4	175.9	-87.5	-71.7	0	0	0	112.1	Y569 T573 E606 Q609 N642 R643 S648 T649 I650	Y569-Y646 HydrophobicContact CD1-CD2 4.35Å; Y569-Y646 AromaticContact CD1-CE2 3.66Å; Y569-Y646 HydrophobicContact CD1-CE2 3.66Å; Y569-Y646 AromaticContact CE1-CD2 3.69Å; Y569-Y646 HydrophobicContact CE1-CD2 3.69Å; Y569-Y646 AromaticContact CE1-CE2 3.24Å; Y569-Y646 HydrophobicContact CE1-CE2 3.24Å; Y569-Y646 HydrophobicContact CG-CE2 4.47Å; Y569-Y646 AromaticContact CZ-CE2 3.73Å; T573-Y646 VanDerWaalsContact CB-OH 3.27Å; T573-Y646 WeakPolarHBondContact CB-OH 3.43Å; T573-Y646 HydrophobicContact CG2-CE1 4.46Å; T573-Y646 WeakPolarHBondContact CG2-OH 3.45Å; T573-Y646 PolarHBondContact OG1-OH 2.89Å; E606-Y646 HydrophobicContact CB-CD1 4.3Å; E606-Y646 HydrophobicContact CG-CD1 4.36Å; Q609-Y646 HydrophobicContact CB-CD1 3.92Å; Q609-Y646 HydrophobicContact CB-CD2 4.11Å; Q609-Y646 HydrophobicContact CB-CE1 4.19Å; Q609-Y646 HydrophobicContact CB-CE2 4.38Å; Q609-Y646 HydrophobicContact CB-CG 3.87Å; Q609-Y646 HydrophobicContact CG-CD1 4.05Å; Q609-Y646 HydrophobicContact CG-CE1 3.81Å; Q609-Y646 HydrophobicContact CG-CE2 4.34Å; Q609-Y646 HydrophobicContact CG-CG 4.39Å; N642-Y646 WeakPolarHBondContact O-CD2 3.45Å; N642-Y646 PolarHBondContact O-N 3.49Å; R643-Y646 PolarHBondContact O-N 3.41Å; Y646-S648 VanDerWaalsContact C-N 3.28Å; Y646-S648 PolarHBondContact O-N 3.25Å; Y646-T649 WeakPolarHBondContact CA-OG1 3.5Å; Y646-T649 PolarHBondContact O-N 3.39Å; Y646-T649 PolarHBondContact O-OG1 2.99Å; Y646-I650 PolarHBondContact O-N 3.41Å
647	Q	96.5	Very high	84.3	Confident	83 Å²	83	77.8 Å²	77.8	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-60.6	-38.6	174.9	179	63.4	65.3	0	0	112.3	V610 R643 D644 W645 T649	V610-Q647 HydrophobicContact CG2-CB 3.98Å; R643-Q647 WeakPolarHBondContact O-CB 3.36Å; R643-Q647 PolarHBondContact O-N 3.48Å; D644-Q647 PolarHBondContact O-N 3.14Å; W645-Q647 VanDerWaalsContact C-N 3.34Å; W645-Q647 PolarHBondContact O-N 2.78Å; Q647-T649 VanDerWaalsContact C-N 3.32Å
648	S	96.4	Very high	82.1	Confident	89 Å²	89	79.7 Å²	79.7	62%	0.622	46%	0.459	S	S	*	.	H	α-helix	trans	-72.8	-22.6	179.9	78.8	0	0	0	0	113.9	D644 W645 Y646	D644-S648 WeakPolarHBondContact O-CB 3.4Å; D644-S648 PolarHBondContact O-N 3.29Å; W645-S648 PolarHBondContact O-N 3.41Å; W645-S648 PolarHBondContact O-OG 3.18Å; Y646-S648 VanDerWaalsContact C-N 3.28Å; Y646-S648 PolarHBondContact O-N 3.25Å
649	T	94.4	Very high	79.8	Confident	50 Å²	50	84.2 Å²	84.2	31%	0.307	49%	0.486	S	S	.	.	H	α-helix	trans	-92.2	-7.7	-178.8	51.2	0	0	0	0	113.4	W645 Y646 Q647 P651	W645-T649 HydrophobicContact CD2-CG2 4.21Å; W645-T649 HydrophobicContact CE3-CG2 4.31Å; W645-T649 HydrophobicContact CH2-CG2 4Å; W645-T649 HydrophobicContact CZ2-CG2 3.88Å; W645-T649 HydrophobicContact CZ3-CG2 4.21Å; W645-T649 WeakPolarHBondContact O-CG2 3.33Å; W645-T649 PolarHBondContact O-N 3.12Å; W645-T649 PolarHBondContact O-OG1 2.94Å; Y646-T649 WeakPolarHBondContact CA-OG1 3.5Å; Y646-T649 PolarHBondContact O-N 3.39Å; Y646-T649 PolarHBondContact O-OG1 2.99Å; Q647-T649 VanDerWaalsContact C-N 3.32Å; T649-P651 WeakPolarHBondContact O-CD 3.42Å
650	I	92.1	Very high	77	Confident	32 Å²	32	89.7 Å²	89.7	16%	0.164	52%	0.523	C	S	.	.	S	Bend	trans	-56.3	123.1	174.8	-69.3	166.1	0	0	0	109.6	E606 K607 V610 Y646 Q652	E606-I650 HydrophobicContact CB-CG1 3.65Å; K607-I650 HydrophobicContact CD-CG2 4.46Å; K607-I650 HydrophobicContact CG-CD1 3.84Å; K607-I650 HydrophobicContact CG-CG1 3.97Å; K607-I650 HydrophobicContact CG-CG2 3.97Å; V610-I650 HydrophobicContact CG2-CD1 4.18Å; Y646-I650 PolarHBondContact O-N 3.41Å; I650-Q652 PolarHBondContact O-N 2.73Å
651	P	85.1	Confident	74.2	Confident	86 Å²	86	93 Å²	93	56%	0.558	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-57.3	126.7	177.5	-24.2	32.9	0	0	0	110.8	T649 S653	T649-P651 WeakPolarHBondContact O-CD 3.42Å; P651-S653 PolarHBondContact O-N 3.02Å
652	Q	73.1	Confident	71.6	Confident	182 Å²	182	96 Å²	96	85%	0.85	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-64.5	125.9	170.9	-66.2	-162.5	-3.9	0	0	108.4	I650	I650-Q652 PolarHBondContact O-N 2.73Å
653	S	58.3	Low	69	Low	93 Å²	93	104.9 Å²	104.9	65%	0.65	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-50.7	136.8	167.8	-55.7	0	0	0	0	108.4	P651 S655	P651-S653 PolarHBondContact O-N 3.02Å; S653-S655 PolarHBondContact O-N 2.92Å; S653-S655 VanDerWaalsContact O-N 3.09Å
654	P	48.9	Very low	66.3	Low	124 Å²	124	110.3 Å²	110.3	81%	0.805	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.8	175.8	20.7	-30.3	0	0	0	108.3
655	S	42.8	Very low	63.5	Low	98 Å²	98	111.5 Å²	111.5	69%	0.685	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-49.5	134.6	176.2	-57.8	0	0	0	0	108.6	S653	S653-S655 PolarHBondContact O-N 2.92Å; S653-S655 VanDerWaalsContact O-N 3.09Å
656	P	50	Low	60.6	Low	115 Å²	115	114.3 Å²	114.3	75%	0.747	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-52.3	136.5	171.2	21.2	-29.9	0	0	0	107.9
657	P	49.9	Very low	57.8	Low	111 Å²	111	122.7 Å²	122.7	72%	0.721	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-53.4	139.7	-177.5	19.3	-29.9	0	0	0	109.1	V659	P657-V659 PolarHBondContact O-N 3.04Å; P657-V659 VanDerWaalsContact O-N 3.13Å
658	P	51.9	Low	54.9	Low	113 Å²	113	123 Å²	123	73%	0.734	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-55	127.1	177.4	22.4	-30.7	0	0	0	107.8	C660	P658-C660 VanDerWaalsContact C-N 3.32Å; P658-C660 PolarHBondContact O-N 3.45Å
659	V	49.7	Very low	52.2	Low	136 Å²	136	124 Å²	124	82%	0.824	69%	0.686	S	S	*	*			trans	-50.2	94.5	-178.1	-178.1	0	0	0	0	109.3	P657 Q661	P657-V659 PolarHBondContact O-N 3.04Å; P657-V659 VanDerWaalsContact O-N 3.13Å; V659-Q661 PolarHBondContact O-N 2.96Å
660	C	40.2	Very low	49.6	Very low	116 Å²	116	128.8 Å²	128.8	78%	0.784	71%	0.71	S	S	*	*			trans	-88.3	101.5	170.7	-83	0	0	0	0	107.6	P658	P658-C660 VanDerWaalsContact C-N 3.32Å; P658-C660 PolarHBondContact O-N 3.45Å
661	Q	39.6	Very low	47.3	Very low	166 Å²	166	135.9 Å²	135.9	78%	0.776	74%	0.739	S	S	*	*			trans	65.7	109.9	161.2	-63	179.9	4.3	0	0	117.5	V659 K663	V659-Q661 PolarHBondContact O-N 2.96Å; Q661-K663 PolarHBondContact O-N 3.45Å
662	E	43.4	Very low	45.1	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	16.3	168.9	-81.2	175.9	140.2	0	0	117.4
663	K	44.3	Very low	43.1	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-9.2	-175.6	-80	-175.8	175.6	178.5	0	116.3	Q661	Q661-K663 PolarHBondContact O-N 3.45Å
664	E	42.7	Very low	42	Very low	165 Å²	165	144.8 Å²	144.8	77%	0.771	76%	0.758	S	S	*	*	S	Bend	trans	-109.1	-12.6	176.9	-65.9	-136.8	142.5	0	0	114.9	N666 K667	E664-N666 VanDerWaalsContact C-N 3.32Å; E664-N666 PolarHBondContact O-N 3.44Å; E664-K667 PolarHBondContact O-N 3.2Å
665	L	38.7	Very low	41	Very low	121 Å²	121	147.8 Å²	147.8	63%	0.634	76%	0.762	S	S	*	*	H	α-helix	trans	-68.3	-29.5	-176.6	-164.1	63.5	0	0	0	113.2	K667 I669	L665-K667 PolarHBondContact O-N 2.85Å; L665-I669 HydrophobicContact CG-CD1 4.19Å; L665-I669 WeakPolarHBondContact O-CG1 3.42Å
666	N	37.4	Very low	40.4	Very low	138 Å²	138	150.2 Å²	150.2	74%	0.738	77%	0.766	S	S	*	*	H	α-helix	trans	-75.3	-7.8	177.6	-75.7	-5.5	0	0	0	114.3	E664	E664-N666 VanDerWaalsContact C-N 3.32Å; E664-N666 PolarHBondContact O-N 3.44Å
667	K	38.7	Very low	39.5	Very low	187 Å²	187	151.1 Å²	151.1	81%	0.813	77%	0.77	S	S	*	*	H	α-helix	trans	-96.8	-15.6	178.6	-129.6	178.3	-175.3	179.3	0	113.5	E664 L665	E664-K667 PolarHBondContact O-N 3.2Å; L665-K667 PolarHBondContact O-N 2.85Å
668	C	35.9	Very low	38.6	Very low	90 Å²	90	153.1 Å²	153.1	61%	0.608	77%	0.774	S	S	*	*	H	α-helix	trans	-97.7	-20.8	-179.1	-163.2	0	0	0	0	113.2	D670	C668-D670 VanDerWaalsContact C-N 3.32Å; C668-D670 PolarHBondContact O-N 3.5Å
669	I	39.1	Very low	37.7	Very low	110 Å²	110	157 Å²	157	56%	0.564	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-73.9	-21	-178.3	-68	171.8	0	0	0	112.6	L665 K671	L665-I669 HydrophobicContact CG-CD1 4.19Å; L665-I669 WeakPolarHBondContact O-CG1 3.42Å; I669-K671 VanDerWaalsContact C-N 3.29Å; I669-K671 PolarHBondContact O-N 2.72Å
670	D	39.8	Very low	36.8	Very low	151 Å²	151	159.3 Å²	159.3	81%	0.807	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-78.7	0.1	-179.7	-100.1	-4.4	0	0	0	115.3	C668	C668-D670 VanDerWaalsContact C-N 3.32Å; C668-D670 PolarHBondContact O-N 3.5Å
671	K	44.3	Very low	36.5	Very low	181 Å²	181	159.7 Å²	159.7	79%	0.787	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-112	-2.8	-175.9	-85.8	-174.7	175.6	-178.7	0	116.2	I669	I669-K671 VanDerWaalsContact C-N 3.29Å; I669-K671 PolarHBondContact O-N 2.72Å
672	F	39.2	Very low	36.1	Very low	170 Å²	170	157.1 Å²	157.1	75%	0.746	79%	0.788	S	S	*	*			trans	-135.9	69.6	177.3	-77.2	-84.1	0	0	0	110.8
673	Q	30.9	Very low	35.7	Very low	191 Å²	191	157.8 Å²	157.8	89%	0.893	79%	0.791	S	S	*	*			trans	-94.3	112.6	155.1	-90	-176.6	-18	0	0	108.1
674	F	33.7	Very low	35.2	Very low	187 Å²	187	156.4 Å²	156.4	82%	0.82	79%	0.793	S	S	*	*			trans	-76.4	116.8	162	-102.5	-96.2	0	0	0	107.8	L676	F674-L676 PolarHBondContact O-N 3.09Å
675	E	28.8	Very low	34.8	Very low	186 Å²	186	161.6 Å²	161.6	87%	0.869	82%	0.817	S	S	*	*			trans	-69.8	110	165.2	-97.7	177.4	156.7	0	0	108.8	T677	E675-T677 PolarHBondContact O-N 3Å
676	L	30.2	Very low	34.6	Very low	150 Å²	150	163.6 Å²	163.6	79%	0.785	83%	0.826	S	S	*	*			trans	-82.8	101.8	165	-131	99	0	0	0	107.4	F674 L678	F674-L676 PolarHBondContact O-N 3.09Å; L676-L678 PolarHBondContact O-N 3.49Å
677	T	30.3	Very low	34.4	Very low	133 Å²	133	164.9 Å²	164.9	82%	0.816	83%	0.831	S	S	*	*			trans	-68.6	106.4	169.1	33.4	0	0	0	0	109.6	E675	E675-T677 PolarHBondContact O-N 3Å
678	L	32.1	Very low	34.2	Very low	154 Å²	154	163.7 Å²	163.7	81%	0.806	83%	0.832	S	S	*	*			trans	-84.8	112.7	163.2	-80.4	159.8	0	0	0	108.2	L676 E680	L676-L678 PolarHBondContact O-N 3.49Å; L678-E680 PolarHBondContact O-N 3.3Å
679	E	32	Very low	34.1	Very low	195 Å²	195	168.1 Å²	168.1	91%	0.911	85%	0.845	S	S	*	*			trans	-74.3	98.8	164.2	-75	-173.4	160.8	0	0	108.8
680	E	32.3	Very low	33.8	Very low	183 Å²	183	171.7 Å²	171.7	86%	0.855	86%	0.863	S	S	*	*			trans	-85.6	112.2	161.8	-86.3	-173.6	162.1	0	0	109.5	L678 S682	L678-E680 PolarHBondContact O-N 3.3Å; E680-S682 PolarHBondContact O-N 3.38Å; E680-S682 VanDerWaalsContact O-N 3.13Å
681	S	32.3	Very low	33.4	Very low	124 Å²	124	173.1 Å²	173.1	87%	0.867	87%	0.866	S	S	*	*			trans	-62.5	106	167.5	53.3	0	0	0	0	110.3
682	S	31.4	Very low	32.6	Very low	113 Å²	113	172.5 Å²	172.5	79%	0.79	87%	0.872	S	S	*	*			trans	-90.6	107.3	165.4	33.8	0	0	0	0	109.3	E680	E680-S682 PolarHBondContact O-N 3.38Å; E680-S682 VanDerWaalsContact O-N 3.13Å
683	Q	35.4	Very low	32.1	Very low	194 Å²	194	172.7 Å²	172.7	91%	0.907	88%	0.882	S	S	*	*			trans	-110.7	105.8	153.7	-88.2	-176.2	-9	0	0	107.7
684	N	34.7	Very low	32.2	Very low	162 Å²	162	171.2 Å²	171.2	87%	0.866	88%	0.881	S	S	*	*			trans	-88	120.7	155.4	-85.2	-22.4	0	0	0	107.4
685	E	32.9	Very low	32	Very low	273 Å²	273	169.7 Å²	169.7	100%	1.276	89%	0.886	S	S	*	*				-165.5	0	125.5	-105.8	-178.7	-179.2	0	0	110.5

Retrieved 685 of 685 residues in 751.7 ms (Link to these results)

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