A0A5K4FCB7_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A5K4FCB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 756 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	28.8	Very low	234 Å²	234	192.5 Å²	192.5	100%	1.153	90%	0.902	S	S	*	*				0	-22.6	0	-72.3	175.6	177.4	0	0	114.6	K3 R4	M1-K3 PolarHBondContact O-N 2.93Å; M1-R4 PolarHBondContact O-N 3.36Å
2	F	24.7	Very low	29.1	Very low	208 Å²	208	186.2 Å²	186.2	91%	0.912	90%	0.895	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	7.3	-171.4	-136.9	-101.2	0	0	0	118.6
3	K	29.5	Very low	28.9	Very low	217 Å²	217	179.5 Å²	179.5	94%	0.943	88%	0.88	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	15.3	178.6	-76.9	-169.9	173.7	-179.4	0	114.4	M1	M1-K3 PolarHBondContact O-N 2.93Å
4	R	32.6	Very low	29.1	Very low	234 Å²	234	182.9 Å²	182.9	88%	0.883	88%	0.878	S	S	*	*	S	Bend	trans	-119.5	3.3	-175.2	-138.8	176.7	-171.3	173.1	2.7	116.1	M1	M1-R4 PolarHBondContact O-N 3.36Å
5	L	31.9	Very low	29.5	Very low	166 Å²	166	179 Å²	179	87%	0.869	87%	0.871	S	S	*	*	S	Bend	trans	-105.4	-17.8	-177.7	-98.6	160.6	0	0	0	115.3	R7	L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.25Å
6	I	32	Very low	30	Very low	168 Å²	168	174.9 Å²	174.9	86%	0.862	86%	0.862	S	S	*	*	S	Bend	trans	-94.5	63.2	174.8	-49.4	-179	0	0	0	109.7
7	R	25.2	Very low	30.2	Very low	236 Å²	236	172 Å²	172	89%	0.891	86%	0.86	S	S	*	*	S	Bend	trans	-161.6	39	175.7	-126.5	178.8	-160.6	-177.3	6.1	116.7	L5	L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.25Å
8	C	26.6	Very low	30.6	Very low	120 Å²	120	171.8 Å²	171.8	81%	0.811	86%	0.862	S	S	*	*	S	Bend	trans	-160.7	84.1	168.1	-112.3	0	0	0	0	112.3
9	H	27.5	Very low	30.7	Very low	195 Å²	195	172.1 Å²	172.1	90%	0.903	86%	0.857	S	S	*	*	S	Bend	trans	-177.7	36.7	155.5	-104.7	45.2	0	0	0	114.7
10	V	27.3	Very low	31.1	Very low	132 Å²	132	171.6 Å²	171.6	80%	0.8	86%	0.857	S	S	*	*			trans	-144	134.7	168.6	-164.7	0	0	0	0	110.2
11	K	29	Very low	31	Very low	207 Å²	207	166.8 Å²	166.8	90%	0.9	85%	0.851	S	S	*	*			trans	72	146.7	-172.6	-50.7	179.9	-177.4	178.1	0	112.9
12	S	32.2	Very low	31.3	Very low	117 Å²	117	162.5 Å²	162.5	82%	0.818	84%	0.839	S	S	*	*			cis	-122.4	161.1	13.4	-171.8	0	0	0	0	114.2
13	S	27.1	Very low	31.6	Very low	99 Å²	99	159.6 Å²	159.6	69%	0.692	83%	0.833	S	S	*	*			trans	-98.2	-174.5	172.3	57.4	0	0	0	0	112.6
14	R	31.7	Very low	31.9	Very low	227 Å²	227	157.2 Å²	157.2	86%	0.857	83%	0.83	S	S	*	*			trans	91.9	136.1	-173.3	-60.1	176.9	177.7	-173.7	-2.4	112.4
15	T	34.5	Very low	31.7	Very low	125 Å²	125	154.8 Å²	154.8	77%	0.767	83%	0.826	S	S	*	*			cis	-169.1	177.7	6.3	11.5	0	0	0	0	108.5
16	P	37	Very low	31.9	Very low	113 Å²	113	155 Å²	155	73%	0.734	83%	0.826	S	S	*	*			cis	-120.3	-178.2	-44.4	37.7	-21.3	0	0	0	111
17	P	34.5	Very low	31.9	Very low	126 Å²	126	155.4 Å²	155.4	82%	0.818	82%	0.824	S	S	*	*			trans	-84.1	158.1	179.7	34.3	-36.2	0	0	0	113.8
18	N	36.6	Very low	31.9	Very low	168 Å²	168	150.3 Å²	150.3	90%	0.898	81%	0.814	S	S	*	*			trans	-127.7	163.3	165.5	-140.1	-4.1	0	0	0	110.8
19	K	33.4	Very low	32.1	Very low	178 Å²	178	150.7 Å²	150.7	77%	0.774	82%	0.815	S	S	*	*			trans	-98.1	-179	-164.7	-70.7	-177.9	177.6	177.5	0	114.4
20	D	37.2	Very low	32.1	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	80%	0.804	S	S	*	*			trans	76.4	131.2	173.2	-46.4	-27.8	0	0	0	112.3
21	G	30.6	Very low	32.2	Very low	71 Å²	71	150 Å²	150	73%	0.732	81%	0.808	S	S	*	*			cis	111.2	106.4	34.3	0	0	0	0	0	105.7
22	T	37	Very low	32	Very low	145 Å²	145	146.4 Å²	146.4	89%	0.89	81%	0.807	S	S	*	*				-151.9	175.6	70.3	45.5	0	0	0	0	113.8
23	N	30.1	Very low	31.7	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	81%	0.805	S	S	*	*			trans	-62.1	145.2	173.5	-60.5	-73.2	0	0	0	112.9
24	N	36	Very low	31.7	Very low	166 Å²	166	148 Å²	148	89%	0.888	81%	0.808	S	S	*	*				-149.8	134.7	129	-110.6	-31.3	0	0	0	111.7
25	K	28.8	Very low	31.5	Very low	184 Å²	184	148.5 Å²	148.5	80%	0.8	81%	0.811	S	S	*	*			trans	-94	131.8	175.2	-64.7	175.8	179.8	176.6	0	108.8
26	I	34.7	Very low	31.1	Very low	169 Å²	169	148.5 Å²	148.5	87%	0.867	81%	0.805	S	S	*	*			trans	-125.2	143.3	159.2	-64.3	-176.5	0	0	0	107.9
27	H	32.3	Very low	30.4	Very low	178 Å²	178	153.8 Å²	153.8	82%	0.824	82%	0.817	S	S	*	*			trans	-80.8	151.9	-167.7	-105.7	-105.6	0	0	0	114.3
28	L	25.7	Very low	29.9	Very low	128 Å²	128	152.3 Å²	152.3	67%	0.67	81%	0.81	S	S	*	*			trans	-45.6	156.9	159.7	-118.2	67.9	0	0	0	112.8	T30	L28-T30 HydrophobicContact CD2-CG2 3.69Å; L28-T30 HydrophobicContact CG-CG2 4.21Å
29	P	30.6	Very low	29.4	Very low	129 Å²	129	150.2 Å²	150.2	84%	0.838	80%	0.803	S	S	*	*				-135.8	130.7	85.1	35.2	-22.1	0	0	0	116
30	T	27.6	Very low	29.2	Very low	110 Å²	110	149 Å²	149	68%	0.675	80%	0.803	S	S	*	*			trans	-60.7	139	160	41	0	0	0	0	112.8	L28	L28-T30 HydrophobicContact CD2-CG2 3.69Å; L28-T30 HydrophobicContact CG-CG2 4.21Å
31	K	29.6	Very low	28.5	Very low	201 Å²	201	146.9 Å²	146.9	87%	0.874	80%	0.801	S	S	*	*			trans	-158	167.3	145.8	-108.8	167.9	-173.4	-178.5	0	109.5
32	C	25.8	Very low	28.5	Very low	132 Å²	132	148.4 Å²	148.4	89%	0.892	80%	0.801	S	S	*	*			trans	66.5	68.4	-178.4	-57.9	0	0	0	0	116
33	T	25.3	Very low	28.1	Very low	126 Å²	126	147 Å²	147	77%	0.773	80%	0.796	S	S	*	*			trans	-87.1	165.5	151.6	49.8	0	0	0	0	111
34	T	27.3	Very low	28.2	Very low	124 Å²	124	145.7 Å²	145.7	76%	0.761	80%	0.799	S	S	*	*			trans	62.9	106.1	160.5	33.5	0	0	0	0	118.7
35	W	27.3	Very low	27.7	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.902	80%	0.796	S	S	*	*				-144.5	120.8	115.1	-124.7	65.3	0	0	0	111.1
36	L	25	Very low	27.8	Very low	124 Å²	124	145.6 Å²	145.6	65%	0.649	80%	0.796	S	S	*	*			trans	40.3	114	165.2	-64.3	173.9	0	0	0	122
37	F	22.6	Very low	27.4	Very low	224 Å²	224	142.8 Å²	142.8	98%	0.982	79%	0.792	S	S	*	*			trans	-152.3	79.9	143.9	-122.5	-66.1	0	0	0	112.2
38	S	25.3	Very low	27	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	79%	0.788	S	S	*	*			trans	-166.3	160	158.9	73.2	0	0	0	0	107.3
39	T	25.8	Very low	27.2	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	79%	0.791	S	S	*	*			cis	-144.4	172.5	5.1	-17.3	0	0	0	0	105.9
40	I	27.9	Very low	27	Very low	153 Å²	153	138 Å²	138	79%	0.785	78%	0.783	S	S	*	*				-151	143.8	51.6	-68.9	171.3	0	0	0	109.2
41	S	23.4	Very low	27.1	Very low	117 Å²	117	139.5 Å²	139.5	82%	0.818	79%	0.786	S	S	*	*			trans	-143.1	117.8	154.8	-176.5	0	0	0	0	109.7
42	S	30.1	Very low	27.2	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	78%	0.778	S	S	*	*			trans	177.6	137.6	-178.9	-77	0	0	0	0	106.2
43	S	29.5	Very low	27.4	Very low	114 Å²	114	138 Å²	138	80%	0.797	77%	0.773	S	S	*	*			cis	-149	170.8	-9.3	-79.4	0	0	0	0	105.7
44	S	30.9	Very low	27.6	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	77%	0.774	S	S	*	*			cis	-162.9	175.7	41.2	50.4	0	0	0	0	112.7
45	K	27	Very low	27.6	Very low	192 Å²	192	135.2 Å²	135.2	84%	0.835	77%	0.769	S	S	*	*			trans	-89.3	160.7	176.8	-54.2	167.8	-178.4	173.5	0	111.4
46	I	29.4	Very low	27.9	Very low	156 Å²	156	132.9 Å²	132.9	80%	0.8	77%	0.765	S	S	*	*				-178.5	139	121	-96.2	158.5	0	0	0	113.4
47	S	26.9	Very low	27.9	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	77%	0.769	S	S	*	*			trans	46.4	156.1	161.1	64.6	0	0	0	0	124
48	T	25.2	Very low	28.3	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	76%	0.761	S	S	*	*			trans	-118.2	-176	178.7	53.3	0	0	0	0	111.9
49	T	29.5	Very low	28.5	Very low	117 Å²	117	132 Å²	132	72%	0.718	77%	0.77	S	S	*	*			trans	74.7	103.1	150.3	33.1	0	0	0	0	120.1
50	S	26.2	Very low	28.5	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	77%	0.772	S	S	*	*				50.8	121.1	128	58.6	0	0	0	0	122.1
51	D	29.6	Very low	28.3	Very low	141 Å²	141	130.1 Å²	130.1	75%	0.754	77%	0.77	S	S	*	*				164.5	153.8	125.7	-83.5	-0.7	0	0	0	110.7
52	I	32.2	Very low	28.4	Very low	135 Å²	135	132.4 Å²	132.4	69%	0.692	77%	0.772	S	S	*	*			cis	-154.4	171.8	-7.4	-118.8	168	0	0	0	111.8
53	E	28.8	Very low	28.4	Very low	168 Å²	168	133.8 Å²	133.8	79%	0.785	78%	0.776	S	S	*	*			trans	-8.3	133.1	164.7	-54.1	-172.4	127.3	0	0	121.5
54	A	29.9	Very low	28.2	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	78%	0.777	S	S	*	*				94.8	154.4	99.4	0	0	0	0	0	115.9
55	S	28.2	Very low	28.1	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	77%	0.772	S	S	*	*			cis	-165.1	170.5	-17.2	56	0	0	0	0	110.9
56	K	32.2	Very low	28	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.826	77%	0.774	S	S	*	*			trans	70.3	133.2	169.6	-58.3	170.6	-175.1	173.6	0	115.9
57	S	25.4	Very low	27.9	Very low	103 Å²	103	130 Å²	130	72%	0.72	77%	0.765	S	S	*	*			cis	107.9	99.5	13.3	77	0	0	0	0	115
58	T	30.8	Very low	27.9	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	77%	0.771	S	S	*	*			trans	-153.1	136.5	154.8	15.5	0	0	0	0	111.7
59	E	29.6	Very low	28	Very low	188 Å²	188	134.8 Å²	134.8	88%	0.879	77%	0.771	S	S	*	*			trans	66.1	146.3	150.2	-62.5	-176.3	150.1	0	0	122.2
60	T	25.7	Very low	27.9	Very low	127 Å²	127	136 Å²	136	78%	0.779	77%	0.774	S	S	*	*			trans	-129.5	130.4	-175.2	49.3	0	0	0	0	109.3
61	C	24.7	Very low	28	Very low	110 Å²	110	138.3 Å²	138.3	74%	0.743	78%	0.778	S	S	*	*				170.5	133.6	124.4	-94.2	0	0	0	0	113.5
62	L	24.2	Very low	28	Very low	165 Å²	165	136 Å²	136	86%	0.864	77%	0.772	S	S	*	*			trans	45.4	92.7	143.3	-55.3	177.1	0	0	0	119.2
63	V	30	Very low	27.9	Very low	133 Å²	133	135.3 Å²	135.3	81%	0.806	77%	0.77	S	S	*	*			trans	-135.9	133.8	139.3	-176.2	0	0	0	0	107.7
64	D	25.4	Very low	28	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	77%	0.767	S	S	*	*			trans	-61.3	142.6	175.4	-71.8	-70.3	0	0	0	112.2
65	N	29.1	Very low	28.2	Very low	136 Å²	136	133 Å²	133	73%	0.727	75%	0.747	S	S	*	*			trans	-143.8	93.5	168.7	-109.4	-62.1	0	0	0	112	S67	N65-S67 PolarHBondContact O-N 3.3Å; N65-S67 VanDerWaalsContact O-N 3.1Å
66	S	24.9	Very low	28.4	Very low	125 Å²	125	132.7 Å²	132.7	87%	0.874	74%	0.743	S	S	*	*			trans	-73.5	84.4	172.5	41.9	0	0	0	0	111.5
67	S	27.5	Very low	28.4	Very low	86 Å²	86	129.2 Å²	129.2	60%	0.601	73%	0.734	S	S	*	*			trans	-155.3	57.2	177.5	47.3	0	0	0	0	115	N65	N65-S67 PolarHBondContact O-N 3.3Å; N65-S67 VanDerWaalsContact O-N 3.1Å
68	K	27.4	Very low	29.1	Very low	211 Å²	211	127.6 Å²	127.6	92%	0.917	72%	0.717	S	S	*	*			trans	-125.4	39.3	165.4	-75.5	-167	175.7	179.9	0	114.2
69	T	26.7	Very low	29.6	Very low	121 Å²	121	124.6 Å²	124.6	74%	0.742	70%	0.695	S	S	*	*			trans	-108.6	75.5	169.7	50.9	0	0	0	0	110.1
70	N	28	Very low	29.6	Very low	144 Å²	144	121.8 Å²	121.8	77%	0.77	69%	0.686	S	S	*	*			trans	-153.1	69.2	173.4	-103.7	-26.8	0	0	0	110.5
71	N	28.6	Very low	30.1	Very low	143 Å²	143	120.8 Å²	120.8	77%	0.765	68%	0.68	S	S	*	*			trans	-152.3	22.5	163.5	-127.3	32.9	0	0	0	112.6
72	C	29.1	Very low	30.6	Very low	93 Å²	93	123.6 Å²	123.6	63%	0.628	68%	0.682	S	S	*	*			trans	-95.2	0.1	-175.8	-59.4	0	0	0	0	113.8
73	N	29	Very low	31.1	Very low	121 Å²	121	119.8 Å²	119.8	65%	0.647	66%	0.66	S	S	*	*	S	Bend	trans	-87.5	-13.6	-168	-70	4.3	0	0	0	114.6	T75	N73-T75 VanDerWaalsContact C-N 3.31Å; N73-T75 PolarHBondContact O-N 3.34Å
74	E	32.1	Very low	31.2	Very low	156 Å²	156	118.7 Å²	118.7	73%	0.729	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-27.5	177.3	-63.6	-170.3	135.1	0	0	112.2	C76 N77	E74-C76 VanDerWaalsContact C-N 3.34Å; E74-C76 PolarHBondContact O-N 3.48Å; E74-N77 PolarHBondContact O-N 3.09Å
75	T	34.3	Very low	31.5	Very low	60 Å²	60	116.8 Å²	116.8	37%	0.368	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-70	-26.1	-177.3	-35.7	0	0	0	0	113.7	N73 N77 R113	N73-T75 VanDerWaalsContact C-N 3.31Å; N73-T75 PolarHBondContact O-N 3.34Å; T75-N77 VanDerWaalsContact C-N 3.33Å; T75-R113 VanDerWaalsContact CG2-NH2 3.33Å
76	C	32.8	Very low	31.9	Very low	86 Å²	86	114 Å²	114	58%	0.581	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-71.5	-27.9	179.9	-67.8	0	0	0	0	112.7	E74 L78 I79	E74-C76 VanDerWaalsContact C-N 3.34Å; E74-C76 PolarHBondContact O-N 3.48Å; C76-L78 PolarHBondContact O-N 3.15Å; C76-I79 PolarHBondContact O-N 3.19Å
77	N	32.1	Very low	32.4	Very low	117 Å²	117	113.7 Å²	113.7	63%	0.626	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-71.5	-16.6	-179.3	-69.3	-18.6	0	0	0	113.1	E74 T75 I79	E74-N77 PolarHBondContact O-N 3.09Å; T75-N77 VanDerWaalsContact C-N 3.33Å; N77-I79 VanDerWaalsContact C-N 3.27Å; N77-I79 PolarHBondContact O-N 3.11Å
78	L	38.3	Very low	32.8	Very low	69 Å²	69	117 Å²	117	36%	0.361	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-75.8	-8.4	176	-76.1	168.2	0	0	0	114.3	C76	C76-L78 PolarHBondContact O-N 3.15Å
79	I	42.5	Very low	33.8	Very low	71 Å²	71	111.5 Å²	111.5	36%	0.364	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.3	-22.4	179	-51.8	167.6	0	0	0	110.9	C76 N77 T81 F106 F109	C76-I79 PolarHBondContact O-N 3.19Å; N77-I79 VanDerWaalsContact C-N 3.27Å; N77-I79 PolarHBondContact O-N 3.11Å; I79-T81 VanDerWaalsContact C-N 3.26Å; I79-T81 PolarHBondContact O-N 2.96Å; I79-F106 HydrophobicContact CD1-CE2 4.1Å; I79-F106 HydrophobicContact CG2-CD2 4.42Å; I79-F106 HydrophobicContact CG2-CE2 4.09Å; I79-F109 HydrophobicContact CD1-CE1 3.86Å; I79-F109 HydrophobicContact CG1-CE1 4.16Å
80	N	29.9	Very low	34.3	Very low	128 Å²	128	112.5 Å²	112.5	68%	0.684	61%	0.607	S	S	*	*			trans	-87.3	14.1	-174.1	-141.6	21.8	0	0	0	114.1	Q82	N80-Q82 PolarHBondContact O-N 3.05Å
81	T	36.3	Very low	34.7	Very low	106 Å²	106	111.3 Å²	111.3	65%	0.65	61%	0.61	S	S	*	*			trans	-77.7	63.2	162.2	54.8	0	0	0	0	110.1	I79 H83	I79-T81 VanDerWaalsContact C-N 3.26Å; I79-T81 PolarHBondContact O-N 2.96Å; T81-H83 PolarHBondContact O-N 3.45Å; T81-H83 VanDerWaalsContact O-N 3.16Å
82	Q	34.2	Very low	35.2	Very low	169 Å²	169	106 Å²	106	79%	0.79	58%	0.584	S	S	*	*			trans	-58.2	116.5	152	-77	-171.2	-31.9	0	0	106.4	N80 P84	N80-Q82 PolarHBondContact O-N 3.05Å; Q82-P84 WeakPolarHBondContact O-CD 3.43Å
83	H	34.4	Very low	36.3	Very low	86 Å²	86	104.7 Å²	104.7	40%	0.398	57%	0.571	S	S	.	*			trans	-62.7	128.7	176.2	-112.5	-81.1	0	0	0	107.9	T81 N85 D86 D290	T81-H83 PolarHBondContact O-N 3.45Å; T81-H83 VanDerWaalsContact O-N 3.16Å; H83-N85 PolarHBondContact O-N 2.85Å; H83-D86 WeakPolarHBondContact CB-OD2 3.42Å; H83-D86 PolarHBondContact O-N 2.87Å; H83-D290 IonicContact NE2-OD1 2.72Å
84	P	32	Very low	37.4	Very low	109 Å²	109	104.6 Å²	104.6	71%	0.708	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	3.8	-171.2	-28.6	36.4	0	0	0	117.4	Q82	Q82-P84 WeakPolarHBondContact O-CD 3.43Å
85	N	31.9	Very low	38.8	Very low	116 Å²	116	101 Å²	101	62%	0.62	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-10.4	-174.9	-62.8	-13.9	0	0	0	113.8	H83 S87 Q88	H83-N85 PolarHBondContact O-N 2.85Å; N85-S87 PolarHBondContact O-N 2.72Å; N85-Q88 PolarHBondContact O-N 3.18Å; N85-Q88 VanDerWaalsContact O-N 3.09Å
86	D	38.5	Very low	39.8	Very low	76 Å²	76	100.2 Å²	100.2	41%	0.406	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-71.1	-33	-172.2	-78.2	-39.6	0	0	0	113.3	H83 Q88 R89	H83-D86 WeakPolarHBondContact CB-OD2 3.42Å; H83-D86 PolarHBondContact O-N 2.87Å; D86-Q88 PolarHBondContact O-N 3.21Å; D86-R89 VanDerWaalsContact O-CG 3.31Å; D86-R89 WeakPolarHBondContact O-CG 3.47Å; D86-R89 PolarHBondContact O-N 3.15Å; D86-R89 IonicContact OD1-CZ 3.16Å; D86-R89 IonicContact OD1-NE 2.81Å; D86-R89 PolarHBondContact OD1-NE 2.83Å; D86-R89 IonicContact OD1-NH2 2.7Å; D86-R89 PolarHBondContact OD1-NH2 3Å
87	S	35.8	Very low	41	Very low	120 Å²	120	97.7 Å²	97.7	84%	0.839	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-73.8	3.7	171.4	50.8	0	0	0	0	114.3	N85	N85-S87 PolarHBondContact O-N 2.72Å
88	Q	35	Very low	42.6	Very low	154 Å²	154	97.2 Å²	97.2	72%	0.72	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-116.5	20.1	169.5	-64.7	-167	1.4	0	0	112.9	N85 D86 I90	N85-Q88 PolarHBondContact O-N 3.18Å; N85-Q88 VanDerWaalsContact O-N 3.09Å; D86-Q88 PolarHBondContact O-N 3.21Å; Q88-I90 PolarHBondContact O-N 3.48Å
89	R	47.8	Very low	44	Very low	96 Å²	96	97 Å²	97	36%	0.362	54%	0.536	S	S	.	.			trans	-61.3	106.3	168.9	-73.8	176.9	-175	-154.5	6.8	109.2	D86 W269	D86-R89 VanDerWaalsContact O-CG 3.31Å; D86-R89 WeakPolarHBondContact O-CG 3.47Å; D86-R89 PolarHBondContact O-N 3.15Å; D86-R89 IonicContact OD1-CZ 3.16Å; D86-R89 IonicContact OD1-NE 2.81Å; D86-R89 PolarHBondContact OD1-NE 2.83Å; D86-R89 IonicContact OD1-NH2 2.7Å; D86-R89 PolarHBondContact OD1-NH2 3Å; R89-W269 VanDerWaalsContact NH1-CZ2 3.26Å
90	I	37.5	Very low	45.4	Very low	143 Å²	143	100.7 Å²	100.7	73%	0.733	55%	0.552	S	S	*	*			trans	-55.4	147.6	-173.3	-64.8	169.3	0	0	0	110.8	Q88 C92	Q88-I90 PolarHBondContact O-N 3.48Å; I90-C92 PolarHBondContact O-N 3.02Å; I90-C92 PolarHBondContact O-SG 2.88Å
91	S	37.5	Very low	47.9	Very low	119 Å²	119	97.6 Å²	97.6	83%	0.832	55%	0.55	S	S	*	*			trans	-55.5	97.4	176.4	-174	0	0	0	0	111.9
92	C	39	Very low	50.4	Low	31 Å²	31	94 Å²	94	21%	0.209	53%	0.527	C	S	.	.			trans	-114.2	79.4	178.6	-71.7	0	0	0	0	109.7	I90	I90-C92 PolarHBondContact O-N 3.02Å; I90-C92 PolarHBondContact O-SG 2.88Å
93	N	51.5	Low	53.2	Low	66 Å²	66	89 Å²	89	35%	0.353	50%	0.502	S	S	.	.			trans	66.8	119.1	169.7	-150.4	-1.7	0	0	0	114.9	Y95 C96 S266	N93-Y95 PolarHBondContact O-N 3.33Å; N93-Y95 WeakPolarHBondContact OD1-CD2 3.31Å; N93-C96 PolarHBondContact O-N 3.03Å; N93-C96 VanDerWaalsContact O-N 3.15Å; N93-S266 PolarHBondContact ND2-O 2.95Å
94	P	52.7	Low	55.7	Low	118 Å²	118	86.3 Å²	86.3	77%	0.766	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	6.7	-171.5	28.6	-38.6	0	0	0	116.4
95	Y	60.7	Low	58.4	Low	82 Å²	82	84.5 Å²	84.5	32%	0.322	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-15.6	177.2	-55.9	-76.7	0	0	0	113.3	N93 Y262 Q549 A550	N93-Y95 PolarHBondContact O-N 3.33Å; N93-Y95 WeakPolarHBondContact OD1-CD2 3.31Å; Y95-Y262 VanDerWaalsContact C-OH 3.26Å; Y95-Y262 PolarHBondContact O-OH 3.48Å; Y95-Q549 HydrophobicContact CD1-CB 4.43Å; Y95-Q549 HydrophobicContact CD1-CG 4.27Å; Y95-Q549 HydrophobicContact CE1-CB 4.44Å; Y95-Q549 HydrophobicContact CE1-CG 3.98Å; Y95-Q549 VanDerWaalsContact CE1-O 3.25Å; Y95-Q549 WeakPolarHBondContact CE1-O 3.2Å; Y95-A550 HydrophobicContact CD1-CB 3.85Å; Y95-A550 HydrophobicContact CD2-CB 3.67Å; Y95-A550 HydrophobicContact CE1-CB 4.28Å; Y95-A550 HydrophobicContact CE2-CB 4.13Å; Y95-A550 HydrophobicContact CG-CB 3.51Å
96	C	56.3	Low	61.1	Low	43 Å²	43	85.2 Å²	85.2	29%	0.291	48%	0.477	S	S	.	.	S	Bend	trans	-62.2	130.7	171	-164.5	0	0	0	0	108.5	N93	N93-C96 PolarHBondContact O-N 3.03Å; N93-C96 VanDerWaalsContact O-N 3.15Å
97	P	57.3	Low	63.6	Low	33 Å²	33	87.9 Å²	87.9	21%	0.214	49%	0.49	C	S	.	.			trans	-55.5	146.4	-176.9	-23.8	30.6	0	0	0	112.5	P99 I102 F258	P97-P99 WeakPolarHBondContact O-CD 3.25Å; P97-P99 VanDerWaalsContact O-N 3.09Å; P97-I102 HydrophobicContact CB-CG2 4.41Å; P97-F258 HydrophobicContact CB-CE2 4.32Å; P97-F258 HydrophobicContact CG-CD2 3.57Å; P97-F258 HydrophobicContact CG-CE1 4.41Å; P97-F258 HydrophobicContact CG-CE2 3.16Å; P97-F258 HydrophobicContact CG-CG 4.43Å; P97-F258 HydrophobicContact CG-CZ 3.65Å
98	D	66.1	Low	66.3	Low	106 Å²	106	85.9 Å²	85.9	57%	0.567	47%	0.467	S	S	*	.			trans	-54.9	115.8	168.2	-178.9	-7.5	0	0	0	108.9	E100 G101	D98-E100 PolarHBondContact O-N 3.15Å; D98-E100 VanDerWaalsContact O-N 3.15Å; D98-E100 PolarHBondContact OD1-N 3.25Å; D98-G101 PolarHBondContact O-N 3.33Å
99	P	67.9	Low	69	Low	66 Å²	66	79.4 Å²	79.4	43%	0.429	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28	-178	-25.7	36	0	0	0	113.2	P97 I102 K103	P97-P99 WeakPolarHBondContact O-CD 3.25Å; P97-P99 VanDerWaalsContact O-N 3.09Å; P99-I102 WeakPolarHBondContact O-CG1 3.19Å; P99-K103 VanDerWaalsContact O-CG 3.25Å; P99-K103 WeakPolarHBondContact O-CG 3.17Å
100	E	70.3	Confident	71.1	Confident	148 Å²	148	76.8 Å²	76.8	69%	0.692	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-34	177.3	-63.9	-62	134.7	0	0	111.7	D98 I102 K103	D98-E100 PolarHBondContact O-N 3.15Å; D98-E100 VanDerWaalsContact O-N 3.15Å; D98-E100 PolarHBondContact OD1-N 3.25Å; E100-I102 PolarHBondContact O-N 2.99Å; E100-K103 PolarHBondContact O-N 3.15Å; E100-K103 VanDerWaalsContact O-N 3.15Å
101	G	82.2	Confident	74	Confident	63 Å²	63	76.1 Å²	76.1	65%	0.649	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.5	-178.5	0	0	0	0	0	114.4	D98	D98-G101 PolarHBondContact O-N 3.33Å
102	I	90.7	Very high	76.8	Confident	31 Å²	31	70.6 Å²	70.6	16%	0.159	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.1	176.7	63.4	168.3	0	0	0	114	P97 P99 E100 N183 N184 V185 P256	P97-I102 HydrophobicContact CB-CG2 4.41Å; P99-I102 WeakPolarHBondContact O-CG1 3.19Å; E100-I102 PolarHBondContact O-N 2.99Å; I102-N183 HydrophobicContact CD1-CB 4.33Å; I102-N183 HydrophobicContact CG1-CB 4.49Å; I102-N183 WeakPolarHBondContact O-CB 3.4Å; I102-N184 PolarHBondContact O-N 3.12Å; I102-V185 HydrophobicContact CB-CG1 4.42Å; I102-P256 HydrophobicContact CD1-CB 4.3Å
103	K	91.3	Very high	79.5	Confident	63 Å²	63	71.2 Å²	71.2	27%	0.274	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-76	146	-178.5	-68.7	-73.4	159	-163.2	0	111.4	P99 E100 P105 N183 D254	P99-K103 VanDerWaalsContact O-CG 3.25Å; P99-K103 WeakPolarHBondContact O-CG 3.17Å; E100-K103 PolarHBondContact O-N 3.15Å; E100-K103 VanDerWaalsContact O-N 3.15Å; K103-P105 VanDerWaalsContact O-CD 3.26Å; K103-P105 WeakPolarHBondContact O-CD 3.4Å; K103-N183 WeakPolarHBondContact CD-OD1 3.33Å; K103-N183 VanDerWaalsContact CE-OD1 3.3Å; K103-N183 WeakPolarHBondContact CE-OD1 3.47Å; K103-N183 PolarHBondContact NZ-OD1 2.72Å; K103-D254 IonicContact NZ-OD1 3.23Å; K103-D254 PolarHBondContact NZ-OD1 3Å
104	L	87.5	Confident	81.7	Confident	29 Å²	29	72.7 Å²	72.7	15%	0.152	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61	119.2	165.1	-81.3	169.2	0	0	0	108.9	F106 Y179 N184	L104-F106 PolarHBondContact O-N 3.03Å; L104-Y179 HydrophobicContact CD1-CE1 4.28Å; L104-Y179 HydrophobicContact CD1-CE2 4.43Å; L104-N184 HydrophobicContact CD2-CB 4.04Å; L104-N184 HydrophobicContact CG-CB 4.27Å
105	P	88.3	Confident	83.8	Confident	71 Å²	71	70.7 Å²	70.7	46%	0.461	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-59	139.7	-176.3	-27.1	36.1	0	0	0	111.8	K103 I107 H108 F109	K103-P105 VanDerWaalsContact O-CD 3.26Å; K103-P105 WeakPolarHBondContact O-CD 3.4Å; P105-I107 HydrophobicContact CB-CG2 4.16Å; P105-I107 PolarHBondContact O-N 3.04Å; P105-H108 WeakPolarHBondContact O-CA 3.36Å; P105-H108 VanDerWaalsContact O-CB 3.3Å; P105-H108 WeakPolarHBondContact O-CB 3.35Å; P105-H108 PolarHBondContact O-N 2.96Å; P105-F109 PolarHBondContact O-N 3.2Å
106	F	88.3	Confident	85.5	Confident	132 Å²	132	67 Å²	67	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-51.8	-33.7	-177.4	175.7	-96.6	0	0	0	113.7	I79 L104 T110	I79-F106 HydrophobicContact CD1-CE2 4.1Å; I79-F106 HydrophobicContact CG2-CD2 4.42Å; I79-F106 HydrophobicContact CG2-CE2 4.09Å; L104-F106 PolarHBondContact O-N 3.03Å; F106-T110 WeakPolarHBondContact O-CB 3.29Å; F106-T110 PolarHBondContact O-N 3.23Å; F106-T110 PolarHBondContact O-OG1 2.66Å
107	I	92.1	Very high	87.4	Confident	132 Å²	132	68.8 Å²	68.8	68%	0.677	36%	0.362	S	S	*	.	H	α-helix	trans	-67.8	-36.4	175.1	-171	60.4	0	0	0	113.1	P105 K111	P105-I107 HydrophobicContact CB-CG2 4.16Å; P105-I107 PolarHBondContact O-N 3.04Å; I107-K111 WeakPolarHBondContact O-CB 3.13Å; I107-K111 PolarHBondContact O-N 3.28Å
108	H	92	Very high	89.3	Confident	77 Å²	77	70.5 Å²	70.5	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-50.2	173.4	-172.1	118.2	0	0	0	110.1	P105 T110 K111 V112	P105-H108 WeakPolarHBondContact O-CA 3.36Å; P105-H108 VanDerWaalsContact O-CB 3.3Å; P105-H108 WeakPolarHBondContact O-CB 3.35Å; P105-H108 PolarHBondContact O-N 2.96Å; H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.16Å; H108-K111 WeakPolarHBondContact O-CB 3.42Å; H108-K111 PolarHBondContact O-N 2.91Å; H108-K111 VanDerWaalsContact O-N 3.1Å; H108-V112 PolarHBondContact O-N 2.91Å
109	F	91.3	Very high	90.8	Very high	19 Å²	19	67 Å²	67	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-55.1	-43.9	176.6	177.7	-112.4	0	0	0	112.1	I79 P105 V112 R113 F176 Y179 S180	I79-F109 HydrophobicContact CD1-CE1 3.86Å; I79-F109 HydrophobicContact CG1-CE1 4.16Å; P105-F109 PolarHBondContact O-N 3.2Å; F109-V112 PolarHBondContact O-N 3.24Å; F109-R113 WeakPolarHBondContact O-CB 3.44Å; F109-R113 PolarHBondContact O-N 3.49Å; F109-F176 AromaticContact CD2-CE1 3.92Å; F109-F176 HydrophobicContact CD2-CE1 3.92Å; F109-F176 HydrophobicContact CD2-CZ 4.04Å; F109-F176 HydrophobicContact CE1-CE1 4.04Å; F109-F176 AromaticContact CE2-CD1 3.8Å; F109-F176 HydrophobicContact CE2-CD1 3.8Å; F109-F176 AromaticContact CE2-CE1 3.16Å; F109-F176 HydrophobicContact CE2-CE1 3.16Å; F109-F176 AromaticContact CE2-CZ 3.69Å; F109-F176 HydrophobicContact CE2-CZ 3.69Å; F109-F176 AromaticContact CZ-CD1 3.8Å; F109-F176 HydrophobicContact CZ-CD1 3.8Å; F109-F176 AromaticContact CZ-CE1 3.27Å; F109-F176 HydrophobicContact CZ-CE1 3.27Å; F109-F176 HydrophobicContact CZ-CZ 4.19Å; F109-Y179 AromaticContact CD2-CD1 3.88Å; F109-Y179 HydrophobicContact CD2-CD1 3.88Å; F109-Y179 HydrophobicContact CD2-CE1 4.02Å; F109-Y179 HydrophobicContact CE2-CD1 4.05Å; F109-S180 VanDerWaalsContact CZ-CB 3.48Å
110	T	93.5	Very high	92.1	Very high	40 Å²	40	67.6 Å²	67.6	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-41.6	176.2	-59.3	0	0	0	0	112.2	F106 H108 R113 N114	F106-T110 WeakPolarHBondContact O-CB 3.29Å; F106-T110 PolarHBondContact O-N 3.23Å; F106-T110 PolarHBondContact O-OG1 2.66Å; H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.16Å; T110-R113 PolarHBondContact O-N 3.09Å; T110-N114 VanDerWaalsContact O-CG 3.28Å; T110-N114 PolarHBondContact O-N 2.7Å; T110-N114 PolarHBondContact O-ND2 2.81Å
111	K	96.7	Very high	93.2	Very high	129 Å²	129	66.1 Å²	66.1	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-49.8	174.5	-179.7	-176.4	176	-177.4	0	111.2	I107 H108 R113 N114 Q115	I107-K111 WeakPolarHBondContact O-CB 3.13Å; I107-K111 PolarHBondContact O-N 3.28Å; H108-K111 WeakPolarHBondContact O-CB 3.42Å; H108-K111 PolarHBondContact O-N 2.91Å; H108-K111 VanDerWaalsContact O-N 3.1Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3Å; K111-Q115 PolarHBondContact O-N 3.43Å
112	V	97.3	Very high	93.7	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-36.3	179.6	175.6	0	0	0	0	111.3	H108 F109 N114 Q115 F116 D144 A145 I148 F176 Y179	H108-V112 PolarHBondContact O-N 2.91Å; F109-V112 PolarHBondContact O-N 3.24Å; V112-N114 PolarHBondContact O-N 3.38Å; V112-Q115 PolarHBondContact O-N 3.29Å; V112-F116 WeakPolarHBondContact O-CB 3.25Å; V112-F116 PolarHBondContact O-N 2.85Å; V112-D144 HydrophobicContact CG1-CB 3.95Å; V112-D144 HydrophobicContact CG2-CB 4.31Å; V112-A145 HydrophobicContact CG1-CB 4.27Å; V112-I148 HydrophobicContact CG1-CD1 3.85Å; V112-F176 HydrophobicContact CG1-CE2 4.32Å; V112-Y179 HydrophobicContact CB-CE1 4.09Å; V112-Y179 HydrophobicContact CG1-CD1 4.47Å; V112-Y179 HydrophobicContact CG1-CE1 3.78Å
113	R	95.7	Very high	93.7	Very high	44 Å²	44	72.7 Å²	72.7	17%	0.166	39%	0.385	C	S	.	.	H	α-helix	trans	-58.3	-49.2	172.5	-163.5	177.2	-178.1	98.1	5.5	111.7	T75 F109 T110 K111 F116 L117 F176	T75-R113 VanDerWaalsContact CG2-NH2 3.33Å; F109-R113 WeakPolarHBondContact O-CB 3.44Å; F109-R113 PolarHBondContact O-N 3.49Å; T110-R113 PolarHBondContact O-N 3.09Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.11Å; R113-F116 PolarHBondContact O-N 3.47Å; R113-L117 HydrophobicContact CG-CD1 4.08Å; R113-L117 HydrophobicContact CG-CG 4.5Å; R113-L117 WeakPolarHBondContact O-CB 3.3Å; R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 2.94Å; R113-F176 HydrophobicContact CB-CE1 3.64Å; R113-F176 HydrophobicContact CB-CE2 4.1Å; R113-F176 HydrophobicContact CB-CZ 3.3Å; R113-F176 HydrophobicContact CG-CD1 4.26Å; R113-F176 HydrophobicContact CG-CE1 3.57Å; R113-F176 HydrophobicContact CG-CE2 4.29Å; R113-F176 HydrophobicContact CG-CZ 3.65Å
114	N	97	Very high	93.9	Very high	96 Å²	96	70.8 Å²	70.8	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-68.8	-39.1	-176.8	-67	-14.6	0	0	0	111.7	T110 K111 V112 L117 A118	T110-N114 VanDerWaalsContact O-CG 3.28Å; T110-N114 PolarHBondContact O-N 2.7Å; T110-N114 PolarHBondContact O-ND2 2.81Å; K111-N114 PolarHBondContact O-N 3.3Å; V112-N114 PolarHBondContact O-N 3.38Å; N114-L117 PolarHBondContact O-N 3.42Å; N114-A118 PolarHBondContact O-N 2.8Å; N114-A118 VanDerWaalsContact O-N 3.1Å
115	Q	97.7	Very high	94.3	Very high	76 Å²	76	72 Å²	72	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-46.8	172.1	-72.1	178.3	-51	0	0	111.5	K111 V112 L117 A118 I119 A145	K111-Q115 WeakPolarHBondContact O-CG 3Å; K111-Q115 PolarHBondContact O-N 3.43Å; V112-Q115 PolarHBondContact O-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.33Å; Q115-A118 PolarHBondContact O-N 2.96Å; Q115-I119 PolarHBondContact O-N 3.42Å; Q115-A145 HydrophobicContact CB-CB 3.58Å
116	F	97	Very high	94.6	Very high	6 Å²	6	73.4 Å²	73.4	3%	0.026	40%	0.4	C	S	.	.	H	α-helix	trans	-61	-46.3	177.2	172.9	-113	0	0	0	111.9	V112 R113 A118 I119 R120 A145 I148 N149 E172 F176	V112-F116 WeakPolarHBondContact O-CB 3.25Å; V112-F116 PolarHBondContact O-N 2.85Å; R113-F116 PolarHBondContact O-N 3.47Å; F116-A118 PolarHBondContact O-N 3.48Å; F116-I119 PolarHBondContact O-N 3.45Å; F116-I119 VanDerWaalsContact O-N 3.08Å; F116-R120 HydrophobicContact CD2-CB 4.45Å; F116-R120 HydrophobicContact CE1-CB 4.27Å; F116-R120 HydrophobicContact CE2-CB 3.89Å; F116-R120 HydrophobicContact CZ-CB 3.79Å; F116-R120 WeakPolarHBondContact O-CB 3.28Å; F116-R120 PolarHBondContact O-N 2.91Å; F116-A145 HydrophobicContact CB-CB 4.13Å; F116-I148 HydrophobicContact CD1-CG2 4.24Å; F116-I148 HydrophobicContact CD2-CB 4.2Å; F116-I148 HydrophobicContact CD2-CG2 3.51Å; F116-I148 HydrophobicContact CE1-CG2 4.3Å; F116-I148 HydrophobicContact CE2-CG2 3.6Å; F116-I148 HydrophobicContact CG-CG2 3.86Å; F116-I148 HydrophobicContact CZ-CG2 3.99Å; F116-N149 HydrophobicContact CD2-CB 4.29Å; F116-N149 HydrophobicContact CE2-CB 4.11Å; F116-E172 HydrophobicContact CE1-CB 4.23Å; F116-E172 HydrophobicContact CE1-CG 4.38Å; F116-E172 HydrophobicContact CZ-CB 4.21Å; F116-E172 HydrophobicContact CZ-CG 3.89Å; F116-E172 WeakPolarHBondContact CZ-OE1 3.27Å; F116-F176 HydrophobicContact CD1-CD2 4.22Å
117	L	96.4	Very high	95	Very high	80 Å²	80	70.4 Å²	70.4	42%	0.419	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-30.9	177.7	-72	172.4	0	0	0	113	R113 N114 Q115	R113-L117 HydrophobicContact CG-CD1 4.08Å; R113-L117 HydrophobicContact CG-CG 4.5Å; R113-L117 WeakPolarHBondContact O-CB 3.3Å; R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 2.94Å; N114-L117 PolarHBondContact O-N 3.42Å; Q115-L117 PolarHBondContact O-N 3.33Å
118	A	97	Very high	95.2	Very high	69 Å²	69	65.8 Å²	65.8	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-74.5	-27.5	175	0	0	0	0	0	113.8	N114 Q115 F116 Q122	N114-A118 PolarHBondContact O-N 2.8Å; N114-A118 VanDerWaalsContact O-N 3.1Å; Q115-A118 PolarHBondContact O-N 2.96Å; F116-A118 PolarHBondContact O-N 3.48Å; A118-Q122 PolarHBondContact O-NE2 3.1Å; A118-Q122 VanDerWaalsContact O-NE2 3.07Å
119	I	96.4	Very high	95.3	Very high	33 Å²	33	65.3 Å²	65.3	17%	0.169	37%	0.369	C	S	.	.	H	α-helix	trans	-105.6	-10.4	-177.8	73.6	177.7	0	0	0	114.8	Q115 F116 S121 Q122 A145 E146 N149	Q115-I119 PolarHBondContact O-N 3.42Å; F116-I119 PolarHBondContact O-N 3.45Å; F116-I119 VanDerWaalsContact O-N 3.08Å; I119-S121 PolarHBondContact O-N 3.01Å; I119-S121 VanDerWaalsContact O-N 3.1Å; I119-Q122 WeakPolarHBondContact O-CB 3.41Å; I119-Q122 PolarHBondContact O-N 2.78Å; I119-A145 HydrophobicContact CD1-CB 4.23Å; I119-E146 HydrophobicContact CD1-CB 4.39Å; I119-E146 HydrophobicContact CD1-CG 3.77Å; I119-N149 HydrophobicContact CD1-CB 4.28Å; I119-N149 HydrophobicContact CG1-CB 4.45Å; I119-N149 PolarHBondContact O-ND2 3.01Å
120	R	95.2	Very high	95.4	Very high	77 Å²	77	69.9 Å²	69.9	29%	0.291	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.6	-173.3	71.2	-178.4	-84.7	-133.8	-1.4	114.5	F116 K152 D169 E172	F116-R120 HydrophobicContact CD2-CB 4.45Å; F116-R120 HydrophobicContact CE1-CB 4.27Å; F116-R120 HydrophobicContact CE2-CB 3.89Å; F116-R120 HydrophobicContact CZ-CB 3.79Å; F116-R120 WeakPolarHBondContact O-CB 3.28Å; F116-R120 PolarHBondContact O-N 2.91Å; R120-K152 PolarHBondContact O-NZ 2.96Å; R120-D169 IonicContact CZ-OD1 3.4Å; R120-D169 IonicContact NH1-OD1 3.69Å; R120-D169 IonicContact NH2-OD1 3.69Å; R120-D169 PolarHBondContact NH2-OD1 3.39Å; R120-E172 WeakPolarHBondContact CB-OE1 3.33Å; R120-E172 IonicContact CZ-OE2 2.75Å; R120-E172 IonicContact NE-OE1 2.67Å; R120-E172 PolarHBondContact NE-OE1 2.8Å; R120-E172 IonicContact NE-OE2 2.74Å; R120-E172 PolarHBondContact NE-OE2 2.74Å; R120-E172 IonicContact NH2-OE2 3.45Å; R120-E172 PolarHBondContact NH2-OE2 3.03Å
121	S	94.6	Very high	95.4	Very high	117 Å²	117	71.6 Å²	71.6	82%	0.818	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.4	178.3	-54.6	0	0	0	0	113.9	I119	I119-S121 PolarHBondContact O-N 3.01Å; I119-S121 VanDerWaalsContact O-N 3.1Å
122	Q	92.8	Very high	95.4	Very high	120 Å²	120	65.8 Å²	65.8	56%	0.561	37%	0.371	S	S	*	.	S	Bend	trans	-83.3	138.6	-177.9	-57	-177.4	21	0	0	111	A118 I119 I124	A118-Q122 PolarHBondContact O-NE2 3.1Å; A118-Q122 VanDerWaalsContact O-NE2 3.07Å; I119-Q122 WeakPolarHBondContact O-CB 3.41Å; I119-Q122 PolarHBondContact O-N 2.78Å; Q122-I124 PolarHBondContact O-N 3.05Å
123	S	90.9	Very high	95.1	Very high	113 Å²	113	68.1 Å²	68.1	79%	0.79	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-77.3	118.9	177.7	56.7	0	0	0	0	111.4	S125	S123-S125 PolarHBondContact O-N 3.48Å
124	I	95.2	Very high	94.9	Very high	23 Å²	23	67.5 Å²	67.5	12%	0.118	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-57.3	132.1	170.4	-57.3	167.6	0	0	0	109.4	Q122 I128 K129 F150 F153	Q122-I124 PolarHBondContact O-N 3.05Å; I124-I128 HydrophobicContact CG2-CB 3.67Å; I124-I128 HydrophobicContact CG2-CG2 3.53Å; I124-K129 HydrophobicContact CB-CG 4.27Å; I124-K129 HydrophobicContact CG2-CG 3.9Å; I124-K129 WeakPolarHBondContact O-CE 3.26Å; I124-F150 HydrophobicContact CD1-CD1 3.65Å; I124-F150 HydrophobicContact CD1-CE1 4.25Å; I124-F150 HydrophobicContact CG1-CD1 4.09Å; I124-F150 HydrophobicContact CG1-CE1 4.2Å; I124-F150 HydrophobicContact CG2-CE1 4.29Å; I124-F153 HydrophobicContact CD1-CB 3.36Å; I124-F153 HydrophobicContact CD1-CD1 4.14Å; I124-F153 HydrophobicContact CD1-CD2 4.39Å; I124-F153 HydrophobicContact CD1-CG 3.7Å
125	S	95.9	Very high	94.8	Very high	55 Å²	55	65.2 Å²	65.2	39%	0.385	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64	154.2	-178	74.2	0	0	0	0	112.3	S123 S127 I128 K129	S123-S125 PolarHBondContact O-N 3.48Å; S125-S127 VanDerWaalsContact C-N 3.26Å; S125-S127 PolarHBondContact O-N 3Å; S125-I128 PolarHBondContact O-N 3.38Å; S125-I128 WeakPolarHBondContact OG-CG1 3.32Å; S125-I128 PolarHBondContact OG-N 2.83Å; S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 2.95Å
126	S	94.3	Very high	94.5	Very high	99 Å²	99	64.8 Å²	64.8	69%	0.692	38%	0.375	S	S	*	.	H	α-helix	trans	-57.1	-39.3	176.6	47.5	0	0	0	0	112.5	K129 E130	S126-K129 PolarHBondContact O-N 3.42Å; S126-E130 PolarHBondContact O-N 3.08Å
127	S	95.9	Very high	94.5	Very high	70 Å²	70	64.6 Å²	64.6	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-50.3	175.8	-173.7	0	0	0	0	111.8	S125 K129 E130 Q131	S125-S127 VanDerWaalsContact C-N 3.26Å; S125-S127 PolarHBondContact O-N 3Å; S127-K129 VanDerWaalsContact C-N 3.34Å; S127-K129 PolarHBondContact O-N 3Å; S127-E130 PolarHBondContact O-N 3.04Å; S127-Q131 VanDerWaalsContact O-CG 3.31Å; S127-Q131 WeakPolarHBondContact O-CG 3.3Å; S127-Q131 PolarHBondContact O-N 3.35Å; S127-Q131 PolarHBondContact OG-NE2 3.19Å
128	I	96.2	Very high	94.5	Very high	35 Å²	35	62.5 Å²	62.5	18%	0.179	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-37.4	179.4	-63.5	170.7	0	0	0	110.8	I124 S125 E130 Q131 L132 Y142 F150	I124-I128 HydrophobicContact CG2-CB 3.67Å; I124-I128 HydrophobicContact CG2-CG2 3.53Å; S125-I128 PolarHBondContact O-N 3.38Å; S125-I128 WeakPolarHBondContact OG-CG1 3.32Å; S125-I128 PolarHBondContact OG-N 2.83Å; I128-E130 VanDerWaalsContact C-N 3.34Å; I128-E130 PolarHBondContact O-N 3.39Å; I128-Q131 PolarHBondContact O-N 3.12Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 HydrophobicContact CG2-CG 4.21Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 3.33Å; I128-Y142 HydrophobicContact CD1-CE1 4.24Å; I128-F150 HydrophobicContact CD1-CZ 4.48Å; I128-F150 HydrophobicContact CG2-CE1 3.94Å; I128-F150 HydrophobicContact CG2-CE2 4.18Å; I128-F150 HydrophobicContact CG2-CZ 3.75Å
129	K	95	Very high	94.6	Very high	66 Å²	66	59.2 Å²	59.2	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-36.8	176.1	-72.8	-175.7	176.1	-173.4	0	113.6	I124 S125 S126 S127 K133 F153	I124-K129 HydrophobicContact CB-CG 4.27Å; I124-K129 HydrophobicContact CG2-CG 3.9Å; I124-K129 WeakPolarHBondContact O-CE 3.26Å; S125-K129 WeakPolarHBondContact O-CG 3.44Å; S125-K129 PolarHBondContact O-N 2.95Å; S126-K129 PolarHBondContact O-N 3.42Å; S127-K129 VanDerWaalsContact C-N 3.34Å; S127-K129 PolarHBondContact O-N 3Å; K129-K133 WeakPolarHBondContact O-CE 3.45Å; K129-K133 WeakPolarHBondContact O-CG 3.48Å; K129-F153 HydrophobicContact CB-CE1 4.39Å; K129-F153 HydrophobicContact CB-CZ 4.22Å; K129-F153 HydrophobicContact CD-CE2 3.88Å; K129-F153 HydrophobicContact CD-CZ 3.78Å; K129-F153 HydrophobicContact CG-CE1 3.94Å; K129-F153 HydrophobicContact CG-CE2 4.15Å; K129-F153 HydrophobicContact CG-CZ 3.68Å
130	E	92.2	Very high	94.7	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-78.6	-34.6	175	-61.5	-51.1	109.5	0	0	111.9	S126 S127 I128 L132 K133	S126-E130 PolarHBondContact O-N 3.08Å; S127-E130 PolarHBondContact O-N 3.04Å; I128-E130 VanDerWaalsContact C-N 3.34Å; I128-E130 PolarHBondContact O-N 3.39Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.95Å; E130-K133 PolarHBondContact O-N 3.46Å; E130-K133 VanDerWaalsContact O-N 3.16Å; E130-K133 IonicContact OE1-NZ 3.9Å; E130-K133 PolarHBondContact OE1-NZ 2.76Å; E130-K133 IonicContact OE2-NZ 2.72Å
131	Q	95.1	Very high	94.8	Very high	76 Å²	76	63.4 Å²	63.4	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-42	171	-69.6	173.6	23.6	0	0	111.9	S127 I128 K133 S134 F137 Y142	S127-Q131 VanDerWaalsContact O-CG 3.31Å; S127-Q131 WeakPolarHBondContact O-CG 3.3Å; S127-Q131 PolarHBondContact O-N 3.35Å; S127-Q131 PolarHBondContact OG-NE2 3.19Å; I128-Q131 PolarHBondContact O-N 3.12Å; Q131-K133 PolarHBondContact O-N 2.74Å; Q131-K133 VanDerWaalsContact O-N 3.13Å; Q131-S134 WeakPolarHBondContact O-CB 3.3Å; Q131-S134 PolarHBondContact O-N 2.84Å; Q131-F137 HydrophobicContact CB-CD2 3.96Å; Q131-F137 HydrophobicContact CB-CE2 4.44Å; Q131-Y142 PolarHBondContact OE1-OH 2.89Å
132	L	95.6	Very high	94.9	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.1	177.3	-76.9	169.2	0	0	0	113.6	I128 E130 F137 F150 F153 M154 F194 Q198	I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 HydrophobicContact CG2-CG 4.21Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 3.33Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.95Å; L132-F137 HydrophobicContact CD2-CD1 4.49Å; L132-F137 HydrophobicContact CD2-CD2 3.84Å; L132-F137 HydrophobicContact CD2-CE1 4.16Å; L132-F137 HydrophobicContact CD2-CE2 3.46Å; L132-F137 VanDerWaalsContact CD2-CE2 3.46Å; L132-F137 HydrophobicContact CD2-CG 4.34Å; L132-F137 HydrophobicContact CD2-CZ 3.63Å; L132-F137 HydrophobicContact CG-CD2 4.14Å; L132-F137 HydrophobicContact CG-CE2 3.81Å; L132-F137 HydrophobicContact CG-CZ 4.42Å; L132-F150 HydrophobicContact CD1-CB 4Å; L132-F150 HydrophobicContact CD1-CD1 4.28Å; L132-F150 HydrophobicContact CD1-CD2 4.34Å; L132-F150 HydrophobicContact CD1-CG 3.95Å; L132-F150 HydrophobicContact CD2-CB 4.12Å; L132-F150 HydrophobicContact CD2-CD2 4.02Å; L132-F150 HydrophobicContact CD2-CG 4.26Å; L132-F153 HydrophobicContact CD1-CD1 3.92Å; L132-F153 HydrophobicContact CD1-CE1 4.25Å; L132-M154 HydrophobicContact CD2-CE 3.97Å; L132-F194 HydrophobicContact CD2-CZ 3.94Å; L132-Q198 HydrophobicContact CD2-CG 4.3Å; L132-Q198 PolarHBondContact O-NE2 3.35Å
133	K	91.3	Very high	95.1	Very high	53 Å²	53	55.5 Å²	55.5	23%	0.23	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.3	174.4	-63.1	168.3	-170.2	171.3	0	113.4	K129 E130 Q131 I205	K129-K133 WeakPolarHBondContact O-CE 3.45Å; K129-K133 WeakPolarHBondContact O-CG 3.48Å; E130-K133 PolarHBondContact O-N 3.46Å; E130-K133 VanDerWaalsContact O-N 3.16Å; E130-K133 IonicContact OE1-NZ 3.9Å; E130-K133 PolarHBondContact OE1-NZ 2.76Å; E130-K133 IonicContact OE2-NZ 2.72Å; Q131-K133 PolarHBondContact O-N 2.74Å; Q131-K133 VanDerWaalsContact O-N 3.13Å; K133-I205 HydrophobicContact CG-CD1 3.97Å; K133-I205 HydrophobicContact CG-CG2 4.44Å
134	S	92.3	Very high	95.5	Very high	31 Å²	31	51.3 Å²	51.3	22%	0.217	28%	0.28	C	S	.	.	S	Bend	trans	-110.6	141.2	179.8	-174.4	0	0	0	0	112	Q131 S136 F137 Q198 I202	Q131-S134 WeakPolarHBondContact O-CB 3.3Å; Q131-S134 PolarHBondContact O-N 2.84Å; S134-S136 PolarHBondContact O-N 2.87Å; S134-S136 PolarHBondContact OG-N 2.65Å; S134-S136 PolarHBondContact OG-OG 2.99Å; S134-F137 WeakPolarHBondContact O-CB 3.27Å; S134-F137 PolarHBondContact O-N 3.07Å; S134-F137 VanDerWaalsContact O-N 3.15Å; S134-Q198 PolarHBondContact O-NE2 2.87Å; S134-I202 WeakPolarHBondContact O-CD1 3.41Å
135	H	93.2	Very high	95.6	Very high	48 Å²	48	50.2 Å²	50.2	22%	0.222	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.7	169.1	58.6	-41.6	0	0	0	112.8	F137 M199 I202 I523 R524 V593 L594 S597	H135-F137 PolarHBondContact O-N 2.76Å; H135-M199 HydrophobicContact CB-CE 3.94Å; H135-I202 HydrophobicContact CB-CD1 4.31Å; H135-I523 HydrophobicContact CB-CG2 4.32Å; H135-I523 PolarHBondContact CD2-O 2.92Å; H135-R524 PolarHBondContact O-NH1 3.18Å; H135-V593 WeakPolarHBondContact CE1-CG2 3.32Å; H135-V593 PolarHBondContact NE2-O 3.3Å; H135-L594 HydrophobicContact CB-CD2 4.01Å; H135-S597 WeakPolarHBondContact NE2-CB 3.28Å; H135-S597 PolarHBondContact NE2-OG 3.48Å
136	S	91.4	Very high	95.7	Very high	68 Å²	68	50.6 Å²	50.6	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4.3	172.8	68.5	0	0	0	0	115.4	S134 N138	S134-S136 PolarHBondContact O-N 2.87Å; S134-S136 PolarHBondContact OG-N 2.65Å; S134-S136 PolarHBondContact OG-OG 2.99Å; S136-N138 PolarHBondContact O-N 3.41Å
137	F	97	Very high	95.9	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	24%	0.237	C	C	.	.			trans	-57.9	134.3	175.8	-174.3	-94.7	0	0	0	112.1	Q131 L132 S134 H135 N139 Y142 L147 F150 F194 M195	Q131-F137 HydrophobicContact CB-CD2 3.96Å; Q131-F137 HydrophobicContact CB-CE2 4.44Å; L132-F137 HydrophobicContact CD2-CD1 4.49Å; L132-F137 HydrophobicContact CD2-CD2 3.84Å; L132-F137 HydrophobicContact CD2-CE1 4.16Å; L132-F137 HydrophobicContact CD2-CE2 3.46Å; L132-F137 VanDerWaalsContact CD2-CE2 3.46Å; L132-F137 HydrophobicContact CD2-CG 4.34Å; L132-F137 HydrophobicContact CD2-CZ 3.63Å; L132-F137 HydrophobicContact CG-CD2 4.14Å; L132-F137 HydrophobicContact CG-CE2 3.81Å; L132-F137 HydrophobicContact CG-CZ 4.42Å; S134-F137 WeakPolarHBondContact O-CB 3.27Å; S134-F137 PolarHBondContact O-N 3.07Å; S134-F137 VanDerWaalsContact O-N 3.15Å; H135-F137 PolarHBondContact O-N 2.76Å; F137-N139 HydrophobicContact CE1-CB 4.31Å; F137-Y142 HydrophobicContact CE1-CD2 4.13Å; F137-Y142 HydrophobicContact CE1-CE2 4.18Å; F137-Y142 HydrophobicContact CE2-CD2 4.34Å; F137-Y142 AromaticContact CE2-CE2 3.66Å; F137-Y142 HydrophobicContact CE2-CE2 3.66Å; F137-Y142 AromaticContact CZ-CD2 3.55Å; F137-Y142 HydrophobicContact CZ-CD2 3.55Å; F137-Y142 AromaticContact CZ-CE2 3.33Å; F137-Y142 HydrophobicContact CZ-CE2 3.33Å; F137-L147 HydrophobicContact CE1-CD2 4.44Å; F137-F150 AromaticContact CZ-CD2 3.98Å; F137-F150 HydrophobicContact CZ-CD2 3.98Å; F137-F150 AromaticContact CZ-CE2 3.96Å; F137-F150 HydrophobicContact CZ-CE2 3.96Å; F137-F194 AromaticContact CD1-CE1 3.86Å; F137-F194 HydrophobicContact CD1-CE1 3.86Å; F137-F194 HydrophobicContact CD1-CZ 4.26Å; F137-F194 AromaticContact CE1-CE1 3.46Å; F137-F194 HydrophobicContact CE1-CE1 3.46Å; F137-F194 VanDerWaalsContact CE1-CE1 3.46Å; F137-F194 AromaticContact CE1-CZ 3.65Å; F137-F194 HydrophobicContact CE1-CZ 3.65Å; F137-F194 HydrophobicContact CZ-CE1 4.42Å; F137-F194 HydrophobicContact CZ-CZ 4.19Å; F137-M195 HydrophobicContact CD1-SD 4.37Å
138	N	97.8	Very high	96	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	21%	0.214	C	C	.	.			trans	-109.6	104.5	179.4	-174.2	-11.6	0	0	0	110.9	S136 W140 L141 Y142 V528	S136-N138 PolarHBondContact O-N 3.41Å; N138-W140 VanDerWaalsContact C-N 3.33Å; N138-W140 VanDerWaalsContact OD1-CB 3.3Å; N138-W140 WeakPolarHBondContact OD1-CB 3.32Å; N138-W140 VanDerWaalsContact OD1-CD1 3.28Å; N138-W140 PolarHBondContact OD1-N 2.73Å; N138-L141 HydrophobicContact CB-CD1 4.07Å; N138-L141 HydrophobicContact CB-CG 4.19Å; N138-Y142 VanDerWaalsContact O-CD2 3.3Å; N138-Y142 WeakPolarHBondContact O-CD2 3.25Å; N138-Y142 WeakPolarHBondContact O-CE2 3.5Å; N138-V528 HydrophobicContact CB-CG2 3.64Å
139	N	98.1	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69.9	-24	177.5	65	-45.9	0	0	0	114	F137 L141 Y142 L147 F194 M195 W532	F137-N139 HydrophobicContact CE1-CB 4.31Å; N139-L141 PolarHBondContact O-N 2.86Å; N139-Y142 PolarHBondContact O-N 3.3Å; N139-L147 HydrophobicContact CB-CD2 4.45Å; N139-F194 HydrophobicContact CB-CD1 4.18Å; N139-F194 HydrophobicContact CB-CE1 4.27Å; N139-M195 HydrophobicContact CB-CE 4.11Å; N139-M195 HydrophobicContact CB-CG 4.19Å; N139-M195 HydrophobicContact CB-SD 3.69Å; N139-M195 WeakPolarHBondContact OD1-CE 3.3Å; N139-W532 WeakPolarHBondContact ND2-CZ2 3.21Å
140	W	97.9	Very high	96.3	Very high	83 Å²	83	38.6 Å²	38.6	31%	0.314	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-69.8	-14.1	-176.5	-52.3	115.6	0	0	0	113.3	N138 Y142 K191 V528 A531 W532	N138-W140 VanDerWaalsContact C-N 3.33Å; N138-W140 VanDerWaalsContact OD1-CB 3.3Å; N138-W140 WeakPolarHBondContact OD1-CB 3.32Å; N138-W140 VanDerWaalsContact OD1-CD1 3.28Å; N138-W140 PolarHBondContact OD1-N 2.73Å; W140-Y142 VanDerWaalsContact C-N 3.33Å; W140-K191 HydrophobicContact CE3-CD 4.13Å; W140-K191 HydrophobicContact CZ3-CD 3.91Å; W140-V528 PolarHBondContact NE1-O 3.14Å; W140-A531 HydrophobicContact CD2-CB 4.49Å; W140-A531 HydrophobicContact CZ2-CB 3.89Å; W140-W532 HydrophobicContact CH2-CD2 4.06Å; W140-W532 AromaticContact CH2-CE2 3.87Å; W140-W532 HydrophobicContact CH2-CE3 4.16Å; W140-W532 AromaticContact CH2-CH2 3.89Å; W140-W532 HydrophobicContact CH2-CH2 3.89Å; W140-W532 AromaticContact CH2-CZ2 3.82Å; W140-W532 HydrophobicContact CH2-CZ2 3.82Å; W140-W532 HydrophobicContact CH2-CZ3 4.06Å; W140-W532 AromaticContact CZ2-CD1 3.88Å; W140-W532 AromaticContact CZ2-CD2 3.59Å; W140-W532 HydrophobicContact CZ2-CD2 3.59Å; W140-W532 AromaticContact CZ2-CE2 3.41Å; W140-W532 VanDerWaalsContact CZ2-CE2 3.41Å; W140-W532 HydrophobicContact CZ2-CE3 4.12Å; W140-W532 AromaticContact CZ2-CG 3.89Å; W140-W532 HydrophobicContact CZ2-CG 3.89Å; W140-W532 HydrophobicContact CZ2-CH2 4.29Å; W140-W532 AromaticContact CZ2-CZ2 3.82Å; W140-W532 HydrophobicContact CZ2-CZ2 3.82Å; W140-W532 HydrophobicContact CZ2-CZ3 4.43Å; W140-W532 AromaticContact CZ2-NE1 3.59Å
141	L	97.4	Very high	96.5	Very high	116 Å²	116	33.1 Å²	33.1	61%	0.607	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-79.9	-12.2	175.4	-57.9	180	0	0	0	113.6	N138 N139	N138-L141 HydrophobicContact CB-CD1 4.07Å; N138-L141 HydrophobicContact CB-CG 4.19Å; N139-L141 PolarHBondContact O-N 2.86Å
142	Y	98	Very high	96.7	Very high	30 Å²	30	30.5 Å²	30.5	12%	0.118	16%	0.158	C	C	.	.	S	Bend	trans	-122.1	143.3	-166.8	-59.6	-77.1	0	0	0	113.3	I128 Q131 F137 N138 N139 W140 E146 F150 K191	I128-Y142 HydrophobicContact CD1-CE1 4.24Å; Q131-Y142 PolarHBondContact OE1-OH 2.89Å; F137-Y142 HydrophobicContact CE1-CD2 4.13Å; F137-Y142 HydrophobicContact CE1-CE2 4.18Å; F137-Y142 HydrophobicContact CE2-CD2 4.34Å; F137-Y142 AromaticContact CE2-CE2 3.66Å; F137-Y142 HydrophobicContact CE2-CE2 3.66Å; F137-Y142 AromaticContact CZ-CD2 3.55Å; F137-Y142 HydrophobicContact CZ-CD2 3.55Å; F137-Y142 AromaticContact CZ-CE2 3.33Å; F137-Y142 HydrophobicContact CZ-CE2 3.33Å; N138-Y142 VanDerWaalsContact O-CD2 3.3Å; N138-Y142 WeakPolarHBondContact O-CD2 3.25Å; N138-Y142 WeakPolarHBondContact O-CE2 3.5Å; N139-Y142 PolarHBondContact O-N 3.3Å; W140-Y142 VanDerWaalsContact C-N 3.33Å; Y142-E146 HydrophobicContact CD1-CB 4.46Å; Y142-F150 AromaticContact CD1-CE2 3.63Å; Y142-F150 HydrophobicContact CD1-CE2 3.63Å; Y142-F150 AromaticContact CD1-CZ 3.7Å; Y142-F150 HydrophobicContact CD1-CZ 3.7Å; Y142-F150 AromaticContact CD2-CE2 4Å; Y142-F150 HydrophobicContact CD2-CE2 4Å; Y142-F150 AromaticContact CE1-CE2 3.86Å; Y142-F150 HydrophobicContact CE1-CE2 3.86Å; Y142-F150 AromaticContact CE1-CZ 3.77Å; Y142-F150 HydrophobicContact CE1-CZ 3.77Å; Y142-F150 HydrophobicContact CE2-CE2 4.22Å; Y142-F150 AromaticContact CG-CE2 3.69Å; Y142-F150 HydrophobicContact CG-CE2 3.69Å; Y142-F150 HydrophobicContact CG-CZ 4.25Å; Y142-K191 PolarHBondContact O-NZ 2.96Å; Y142-K191 VanDerWaalsContact O-NZ 3.09Å
143	S	97.3	Very high	96.7	Very high	41 Å²	41	31.4 Å²	31.4	29%	0.287	16%	0.161	S	C	.	.			trans	-70.2	156.4	171.3	68.7	0	0	0	0	111.6	A145 E146 L147	S143-A145 PolarHBondContact O-N 3.17Å; S143-E146 VanDerWaalsContact CB-OE2 3.26Å; S143-E146 WeakPolarHBondContact CB-OE2 3.36Å; S143-E146 PolarHBondContact N-OE2 3.28Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 3.18Å; S143-E146 WeakPolarHBondContact OG-CG 3.42Å; S143-E146 PolarHBondContact OG-N 2.83Å; S143-E146 PolarHBondContact OG-OE2 3Å; S143-L147 WeakPolarHBondContact O-CG 3.39Å; S143-L147 PolarHBondContact O-N 3.23Å
144	D	97.9	Very high	96.9	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-32	179.1	-71.5	5.9	0	0	0	112.4	V112 E146 L147 I148 Y179 K191	V112-D144 HydrophobicContact CG1-CB 3.95Å; V112-D144 HydrophobicContact CG2-CB 4.31Å; D144-E146 VanDerWaalsContact C-N 3.34Å; D144-E146 PolarHBondContact O-N 3.39Å; D144-L147 PolarHBondContact O-N 3.13Å; D144-I148 WeakPolarHBondContact O-CB 3.43Å; D144-I148 WeakPolarHBondContact O-CD1 3.23Å; D144-I148 WeakPolarHBondContact O-CG1 3.31Å; D144-I148 PolarHBondContact O-N 3.4Å; D144-Y179 HydrophobicContact CB-CE2 3.78Å; D144-Y179 WeakPolarHBondContact OD2-CE2 3.32Å; D144-Y179 PolarHBondContact OD2-OH 2.84Å; D144-K191 WeakPolarHBondContact OD1-CE 3.41Å; D144-K191 IonicContact OD1-NZ 3.45Å; D144-K191 PolarHBondContact OD1-NZ 2.95Å
145	A	97.9	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-41.2	173.6	0	0	0	0	0	112.5	V112 Q115 F116 I119 S143 N149	V112-A145 HydrophobicContact CG1-CB 4.27Å; Q115-A145 HydrophobicContact CB-CB 3.58Å; F116-A145 HydrophobicContact CB-CB 4.13Å; I119-A145 HydrophobicContact CD1-CB 4.23Å; S143-A145 PolarHBondContact O-N 3.17Å; A145-N149 PolarHBondContact O-N 2.67Å; A145-N149 VanDerWaalsContact O-N 3.1Å
146	E	98.2	Very high	97.3	Very high	63 Å²	63	28.5 Å²	28.5	29%	0.294	15%	0.149	S	C	.	.	H	α-helix	trans	-69.1	-43.9	175.1	-68.8	162.8	101	0	0	111	I119 Y142 S143 D144 I148 N149 F150	I119-E146 HydrophobicContact CD1-CB 4.39Å; I119-E146 HydrophobicContact CD1-CG 3.77Å; Y142-E146 HydrophobicContact CD1-CB 4.46Å; S143-E146 VanDerWaalsContact CB-OE2 3.26Å; S143-E146 WeakPolarHBondContact CB-OE2 3.36Å; S143-E146 PolarHBondContact N-OE2 3.28Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 3.18Å; S143-E146 WeakPolarHBondContact OG-CG 3.42Å; S143-E146 PolarHBondContact OG-N 2.83Å; S143-E146 PolarHBondContact OG-OE2 3Å; D144-E146 VanDerWaalsContact C-N 3.34Å; D144-E146 PolarHBondContact O-N 3.39Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 2.86Å; E146-N149 CarbonylContact O-C 3.56Å; E146-N149 WeakPolarHBondContact O-CA 3.44Å; E146-N149 WeakPolarHBondContact O-CB 3.47Å; E146-N149 PolarHBondContact O-N 2.89Å; E146-F150 HydrophobicContact CB-CE1 4.33Å; E146-F150 HydrophobicContact CB-CE2 4.26Å; E146-F150 HydrophobicContact CB-CZ 3.96Å; E146-F150 WeakPolarHBondContact O-CD1 3.26Å; E146-F150 WeakPolarHBondContact O-CG 3.5Å; E146-F150 PolarHBondContact O-N 3.04Å
147	L	98.4	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-42.4	175.8	-62.9	-177.1	0	0	0	111.8	F137 N139 S143 D144 N149 F150 V151 F190 K191 F194	F137-L147 HydrophobicContact CE1-CD2 4.44Å; N139-L147 HydrophobicContact CB-CD2 4.45Å; S143-L147 WeakPolarHBondContact O-CG 3.39Å; S143-L147 PolarHBondContact O-N 3.23Å; D144-L147 PolarHBondContact O-N 3.13Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.19Å; L147-F150 HydrophobicContact CD2-CD2 4.09Å; L147-F150 HydrophobicContact CD2-CE2 4.43Å; L147-F150 PolarHBondContact O-N 3.36Å; L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 3.42Å; L147-F190 HydrophobicContact CB-CE1 4.13Å; L147-K191 HydrophobicContact CD1-CD 4.43Å; L147-K191 HydrophobicContact CD1-CG 3.94Å; L147-F194 HydrophobicContact CB-CD2 3.76Å; L147-F194 HydrophobicContact CB-CE2 4.18Å; L147-F194 HydrophobicContact CB-CG 4.16Å; L147-F194 HydrophobicContact CD1-CD1 4.44Å; L147-F194 HydrophobicContact CD1-CG 4.25Å; L147-F194 HydrophobicContact CD2-CD1 3.93Å; L147-F194 HydrophobicContact CD2-CD2 3.97Å; L147-F194 HydrophobicContact CD2-CE1 3.79Å; L147-F194 HydrophobicContact CD2-CE2 3.83Å; L147-F194 HydrophobicContact CD2-CG 4.05Å; L147-F194 HydrophobicContact CD2-CZ 3.74Å; L147-F194 HydrophobicContact CG-CD2 4.32Å; L147-F194 HydrophobicContact CG-CG 4.38Å
148	I	98.2	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-44.1	171.6	-72.1	163.4	0	0	0	111	V112 F116 D144 E146 F150 V151 K152 I175 F176 Y179 F190	V112-I148 HydrophobicContact CG1-CD1 3.85Å; F116-I148 HydrophobicContact CD1-CG2 4.24Å; F116-I148 HydrophobicContact CD2-CB 4.2Å; F116-I148 HydrophobicContact CD2-CG2 3.51Å; F116-I148 HydrophobicContact CE1-CG2 4.3Å; F116-I148 HydrophobicContact CE2-CG2 3.6Å; F116-I148 HydrophobicContact CG-CG2 3.86Å; F116-I148 HydrophobicContact CZ-CG2 3.99Å; D144-I148 WeakPolarHBondContact O-CB 3.43Å; D144-I148 WeakPolarHBondContact O-CD1 3.23Å; D144-I148 WeakPolarHBondContact O-CG1 3.31Å; D144-I148 PolarHBondContact O-N 3.4Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 2.86Å; I148-F150 VanDerWaalsContact C-N 3.31Å; I148-F150 PolarHBondContact O-N 2.89Å; I148-V151 PolarHBondContact O-N 2.93Å; I148-K152 PolarHBondContact O-N 3.32Å; I148-K152 VanDerWaalsContact O-N 3.07Å; I148-I175 HydrophobicContact CB-CG2 4.34Å; I148-I175 HydrophobicContact CG1-CG2 4.32Å; I148-I175 HydrophobicContact CG2-CG2 3.8Å; I148-F176 HydrophobicContact CD1-CD2 3.97Å; I148-F176 HydrophobicContact CD1-CE2 3.9Å; I148-Y179 HydrophobicContact CD1-CD1 4.16Å; I148-Y179 HydrophobicContact CD1-CD2 3.85Å; I148-Y179 HydrophobicContact CD1-CE2 4.32Å; I148-Y179 HydrophobicContact CD1-CG 3.78Å; I148-Y179 HydrophobicContact CG1-CD2 4.35Å; I148-F190 HydrophobicContact CG1-CE1 3.76Å; I148-F190 HydrophobicContact CG1-CZ 3.62Å
149	N	97.7	Very high	96.8	Very high	9 Å²	9	30 Å²	30	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-31.4	177.7	-157.2	33.9	0	0	0	112.4	F116 I119 A145 E146 L147 K152 F153	F116-N149 HydrophobicContact CD2-CB 4.29Å; F116-N149 HydrophobicContact CE2-CB 4.11Å; I119-N149 HydrophobicContact CD1-CB 4.28Å; I119-N149 HydrophobicContact CG1-CB 4.45Å; I119-N149 PolarHBondContact O-ND2 3.01Å; A145-N149 PolarHBondContact O-N 2.67Å; A145-N149 VanDerWaalsContact O-N 3.1Å; E146-N149 CarbonylContact O-C 3.56Å; E146-N149 WeakPolarHBondContact O-CA 3.44Å; E146-N149 WeakPolarHBondContact O-CB 3.47Å; E146-N149 PolarHBondContact O-N 2.89Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.19Å; N149-K152 WeakPolarHBondContact OD1-CE 3.38Å; N149-K152 PolarHBondContact OD1-NZ 2.91Å; N149-F153 PolarHBondContact O-N 2.69Å; N149-F153 VanDerWaalsContact O-N 3.11Å
150	F	98.4	Very high	96.7	Very high	8 Å²	8	30 Å²	30	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-73.1	-38.8	175	-60.3	-11.1	0	0	0	111.9	I124 I128 L132 F137 Y142 E146 L147 I148 K152 F153 M154 F194	I124-F150 HydrophobicContact CD1-CD1 3.65Å; I124-F150 HydrophobicContact CD1-CE1 4.25Å; I124-F150 HydrophobicContact CG1-CD1 4.09Å; I124-F150 HydrophobicContact CG1-CE1 4.2Å; I124-F150 HydrophobicContact CG2-CE1 4.29Å; I128-F150 HydrophobicContact CD1-CZ 4.48Å; I128-F150 HydrophobicContact CG2-CE1 3.94Å; I128-F150 HydrophobicContact CG2-CE2 4.18Å; I128-F150 HydrophobicContact CG2-CZ 3.75Å; L132-F150 HydrophobicContact CD1-CB 4Å; L132-F150 HydrophobicContact CD1-CD1 4.28Å; L132-F150 HydrophobicContact CD1-CD2 4.34Å; L132-F150 HydrophobicContact CD1-CG 3.95Å; L132-F150 HydrophobicContact CD2-CB 4.12Å; L132-F150 HydrophobicContact CD2-CD2 4.02Å; L132-F150 HydrophobicContact CD2-CG 4.26Å; F137-F150 AromaticContact CZ-CD2 3.98Å; F137-F150 HydrophobicContact CZ-CD2 3.98Å; F137-F150 AromaticContact CZ-CE2 3.96Å; F137-F150 HydrophobicContact CZ-CE2 3.96Å; Y142-F150 AromaticContact CD1-CE2 3.63Å; Y142-F150 HydrophobicContact CD1-CE2 3.63Å; Y142-F150 AromaticContact CD1-CZ 3.7Å; Y142-F150 HydrophobicContact CD1-CZ 3.7Å; Y142-F150 AromaticContact CD2-CE2 4Å; Y142-F150 HydrophobicContact CD2-CE2 4Å; Y142-F150 AromaticContact CE1-CE2 3.86Å; Y142-F150 HydrophobicContact CE1-CE2 3.86Å; Y142-F150 AromaticContact CE1-CZ 3.77Å; Y142-F150 HydrophobicContact CE1-CZ 3.77Å; Y142-F150 HydrophobicContact CE2-CE2 4.22Å; Y142-F150 AromaticContact CG-CE2 3.69Å; Y142-F150 HydrophobicContact CG-CE2 3.69Å; Y142-F150 HydrophobicContact CG-CZ 4.25Å; E146-F150 HydrophobicContact CB-CE1 4.33Å; E146-F150 HydrophobicContact CB-CE2 4.26Å; E146-F150 HydrophobicContact CB-CZ 3.96Å; E146-F150 WeakPolarHBondContact O-CD1 3.26Å; E146-F150 WeakPolarHBondContact O-CG 3.5Å; E146-F150 PolarHBondContact O-N 3.04Å; L147-F150 HydrophobicContact CD2-CD2 4.09Å; L147-F150 HydrophobicContact CD2-CE2 4.43Å; L147-F150 PolarHBondContact O-N 3.36Å; I148-F150 VanDerWaalsContact C-N 3.31Å; I148-F150 PolarHBondContact O-N 2.89Å; F150-K152 VanDerWaalsContact C-N 3.35Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.46Å; F150-F153 VanDerWaalsContact O-N 3.15Å; F150-M154 WeakPolarHBondContact O-CG 3.32Å; F150-M154 PolarHBondContact O-N 2.98Å; F150-F194 HydrophobicContact CB-CE2 3.87Å; F150-F194 HydrophobicContact CB-CZ 4.42Å; F150-F194 HydrophobicContact CD2-CE2 4.41Å; F150-F194 HydrophobicContact CD2-CZ 4.36Å
151	V	98.4	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-46.6	170.6	173.4	0	0	0	0	110.4	L147 I148 F153 M154 F155 I175 F194 L249	L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 3.42Å; I148-V151 PolarHBondContact O-N 2.93Å; V151-F153 PolarHBondContact O-N 3.1Å; V151-M154 WeakPolarHBondContact O-CB 3.35Å; V151-M154 PolarHBondContact O-N 3.45Å; V151-F155 HydrophobicContact CG1-CD2 4.21Å; V151-F155 HydrophobicContact CG1-CE2 4.01Å; V151-F155 WeakPolarHBondContact O-CD2 3.47Å; V151-F155 PolarHBondContact O-N 3.05Å; V151-I175 HydrophobicContact CB-CD1 4.35Å; V151-I175 HydrophobicContact CB-CG2 4.36Å; V151-I175 HydrophobicContact CG1-CD1 3.83Å; V151-I175 HydrophobicContact CG1-CG1 3.98Å; V151-I175 HydrophobicContact CG1-CG2 4.18Å; V151-F194 HydrophobicContact CG2-CD2 3.74Å; V151-F194 HydrophobicContact CG2-CE2 4.24Å; V151-L249 HydrophobicContact CG1-CD1 3.93Å; V151-L249 HydrophobicContact CG1-CD2 3.79Å; V151-L249 HydrophobicContact CG1-CG 4.48Å; V151-L249 HydrophobicContact CG2-CD1 3.84Å
152	K	98	Very high	96.6	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.096	14%	0.141	C	C	.	.	H	α-helix	trans	-55.5	-42.5	174.6	-175.1	-174	78.4	-157.4	0	111.7	R120 I148 N149 F150 F155 V156 I168 L171 E172 I175	R120-K152 PolarHBondContact O-NZ 2.96Å; I148-K152 PolarHBondContact O-N 3.32Å; I148-K152 VanDerWaalsContact O-N 3.07Å; N149-K152 WeakPolarHBondContact OD1-CE 3.38Å; N149-K152 PolarHBondContact OD1-NZ 2.91Å; F150-K152 VanDerWaalsContact C-N 3.35Å; K152-F155 PolarHBondContact O-N 3.25Å; K152-V156 HydrophobicContact CG-CG2 4.36Å; K152-V156 WeakPolarHBondContact O-CB 3.42Å; K152-V156 VanDerWaalsContact O-CG2 3.28Å; K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 3.44Å; K152-I168 HydrophobicContact CD-CG2 4.42Å; K152-L171 HydrophobicContact CG-CD2 3.89Å; K152-L171 HydrophobicContact CG-CG 4.46Å; K152-E172 VanDerWaalsContact CD-CD 3.45Å; K152-E172 HydrophobicContact CD-CG 3.39Å; K152-E172 WeakPolarHBondContact CD-OE1 3.43Å; K152-E172 WeakPolarHBondContact CE-OE1 3.16Å; K152-E172 HydrophobicContact CG-CG 4.17Å; K152-E172 IonicContact NZ-OE1 3.71Å; K152-E172 PolarHBondContact NZ-OE1 3.13Å; K152-I175 HydrophobicContact CB-CD1 3.85Å
153	F	96.3	Very high	96.5	Very high	24 Å²	24	30 Å²	30	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-40.8	176	166.6	-107.1	0	0	0	112.8	I124 K129 L132 N149 F150 V151 F155 V156 D157	I124-F153 HydrophobicContact CD1-CB 3.36Å; I124-F153 HydrophobicContact CD1-CD1 4.14Å; I124-F153 HydrophobicContact CD1-CD2 4.39Å; I124-F153 HydrophobicContact CD1-CG 3.7Å; K129-F153 HydrophobicContact CB-CE1 4.39Å; K129-F153 HydrophobicContact CB-CZ 4.22Å; K129-F153 HydrophobicContact CD-CE2 3.88Å; K129-F153 HydrophobicContact CD-CZ 3.78Å; K129-F153 HydrophobicContact CG-CE1 3.94Å; K129-F153 HydrophobicContact CG-CE2 4.15Å; K129-F153 HydrophobicContact CG-CZ 3.68Å; L132-F153 HydrophobicContact CD1-CD1 3.92Å; L132-F153 HydrophobicContact CD1-CE1 4.25Å; N149-F153 PolarHBondContact O-N 2.69Å; N149-F153 VanDerWaalsContact O-N 3.11Å; F150-F153 WeakPolarHBondContact O-CB 3.34Å; F150-F153 PolarHBondContact O-N 3.46Å; F150-F153 VanDerWaalsContact O-N 3.15Å; V151-F153 PolarHBondContact O-N 3.1Å; F153-F155 VanDerWaalsContact C-N 3.33Å; F153-F155 PolarHBondContact O-N 2.88Å; F153-V156 PolarHBondContact O-N 3.27Å; F153-V156 VanDerWaalsContact O-N 3.1Å; F153-D157 HydrophobicContact CD2-CB 4.27Å; F153-D157 HydrophobicContact CE2-CB 3.7Å; F153-D157 VanDerWaalsContact CE2-CG 3.48Å; F153-D157 VanDerWaalsContact CE2-OD1 3.22Å; F153-D157 WeakPolarHBondContact CE2-OD1 3.16Å; F153-D157 HydrophobicContact CZ-CB 3.83Å; F153-D157 VanDerWaalsContact CZ-CG 3.42Å; F153-D157 WeakPolarHBondContact O-CB 3.31Å; F153-D157 PolarHBondContact O-N 3.47Å
154	M	96.1	Very high	96.5	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-44.9	176.5	-63.1	161.8	-167.9	0	0	112.1	L132 F150 V151 L158 F194 T197 Q198 S201	L132-M154 HydrophobicContact CD2-CE 3.97Å; F150-M154 WeakPolarHBondContact O-CG 3.32Å; F150-M154 PolarHBondContact O-N 2.98Å; V151-M154 WeakPolarHBondContact O-CB 3.35Å; V151-M154 PolarHBondContact O-N 3.45Å; M154-L158 WeakPolarHBondContact O-CG 2.97Å; M154-L158 PolarHBondContact O-N 3.39Å; M154-F194 HydrophobicContact CE-CE2 3.65Å; M154-F194 HydrophobicContact CE-CZ 3.85Å; M154-T197 HydrophobicContact SD-CG2 3.94Å; M154-Q198 HydrophobicContact CE-CB 3.75Å; M154-Q198 HydrophobicContact CE-CG 3.77Å; M154-S201 WeakPolarHBondContact CB-OG 3.28Å; M154-S201 WeakPolarHBondContact CG-OG 3.27Å; M154-S201 PolarHBondContact SD-OG 2.77Å; M154-S201 VanDerWaalsContact SD-OG 3.39Å
155	F	96.8	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-34.4	176.4	-79.4	-111	0	0	0	112.9	V151 K152 F153 N159 L160 P161 F166 L171 W174 L242 L245 I300	V151-F155 HydrophobicContact CG1-CD2 4.21Å; V151-F155 HydrophobicContact CG1-CE2 4.01Å; V151-F155 WeakPolarHBondContact O-CD2 3.47Å; V151-F155 PolarHBondContact O-N 3.05Å; K152-F155 PolarHBondContact O-N 3.25Å; F153-F155 VanDerWaalsContact C-N 3.33Å; F153-F155 PolarHBondContact O-N 2.88Å; F155-N159 PolarHBondContact O-N 3.38Å; F155-L160 HydrophobicContact CD1-CD1 3.97Å; F155-L160 HydrophobicContact CG-CD1 4.46Å; F155-L160 PolarHBondContact O-N 2.89Å; F155-P161 WeakPolarHBondContact O-CD 3.21Å; F155-F166 HydrophobicContact CD1-CZ 4.3Å; F155-L171 HydrophobicContact CB-CD1 3.97Å; F155-L171 HydrophobicContact CB-CD2 3.71Å; F155-L171 HydrophobicContact CD1-CD1 3.61Å; F155-L171 HydrophobicContact CD2-CD1 4.33Å; F155-L171 HydrophobicContact CE1-CD1 4.12Å; F155-L171 HydrophobicContact CG-CD1 3.73Å; F155-L171 HydrophobicContact CG-CD2 4.41Å; F155-W174 HydrophobicContact CE1-CH2 4.42Å; F155-W174 AromaticContact CE1-CZ3 3.87Å; F155-W174 HydrophobicContact CE1-CZ3 3.87Å; F155-W174 HydrophobicContact CE2-CH2 4.44Å; F155-W174 AromaticContact CE2-CZ3 3.93Å; F155-W174 HydrophobicContact CE2-CZ3 3.93Å; F155-W174 HydrophobicContact CZ-CE3 4.46Å; F155-W174 AromaticContact CZ-CH2 3.72Å; F155-W174 HydrophobicContact CZ-CH2 3.72Å; F155-W174 AromaticContact CZ-CZ3 3.36Å; F155-W174 HydrophobicContact CZ-CZ3 3.36Å; F155-L242 HydrophobicContact CD1-CD1 4.2Å; F155-L242 HydrophobicContact CE1-CD1 3.8Å; F155-L245 HydrophobicContact CD2-CB 4.38Å; F155-L245 HydrophobicContact CD2-CD1 3.97Å; F155-L245 HydrophobicContact CE1-CB 4.12Å; F155-L245 HydrophobicContact CE2-CB 3.65Å; F155-L245 HydrophobicContact CE2-CD1 4.08Å; F155-L245 HydrophobicContact CE2-CG 4.41Å; F155-L245 HydrophobicContact CG-CD1 4.26Å; F155-L245 HydrophobicContact CZ-CB 3.49Å; F155-L245 VanDerWaalsContact CZ-CB 3.49Å; F155-L245 HydrophobicContact CZ-CD1 4.45Å; F155-I300 HydrophobicContact CE1-CD1 4.19Å
156	V	95.1	Very high	96.5	Very high	61 Å²	61	34.1 Å²	34.1	37%	0.37	17%	0.171	S	C	.	.	H	α-helix	trans	-79.9	-36.1	-178.3	170.9	0	0	0	0	112.8	K152 F153 L158 N159 P161 I168 L171	K152-V156 HydrophobicContact CG-CG2 4.36Å; K152-V156 WeakPolarHBondContact O-CB 3.42Å; K152-V156 VanDerWaalsContact O-CG2 3.28Å; K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 3.44Å; F153-V156 PolarHBondContact O-N 3.27Å; F153-V156 VanDerWaalsContact O-N 3.1Å; V156-L158 VanDerWaalsContact C-N 3.3Å; V156-L158 PolarHBondContact O-N 2.87Å; V156-N159 WeakPolarHBondContact O-CA 3.45Å; V156-N159 PolarHBondContact O-N 3.09Å; V156-P161 HydrophobicContact CG2-CG 4.29Å; V156-I168 HydrophobicContact CG2-CD1 3.79Å; V156-L171 HydrophobicContact CG2-CD2 4.16Å
157	D	91.8	Very high	96.5	Very high	73 Å²	73	33.8 Å²	33.8	39%	0.39	18%	0.175	S	C	.	.	H	α-helix	trans	-67.1	-34.8	177.3	-144.7	50.7	0	0	0	110.7	F153 N159	F153-D157 HydrophobicContact CD2-CB 4.27Å; F153-D157 HydrophobicContact CE2-CB 3.7Å; F153-D157 VanDerWaalsContact CE2-CG 3.48Å; F153-D157 VanDerWaalsContact CE2-OD1 3.22Å; F153-D157 WeakPolarHBondContact CE2-OD1 3.16Å; F153-D157 HydrophobicContact CZ-CB 3.83Å; F153-D157 VanDerWaalsContact CZ-CG 3.42Å; F153-D157 WeakPolarHBondContact O-CB 3.31Å; F153-D157 PolarHBondContact O-N 3.47Å; D157-N159 PolarHBondContact O-N 3.02Å
158	L	91.1	Very high	96.4	Very high	25 Å²	25	37 Å²	37	13%	0.131	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	1.9	168.8	-62.6	-178.6	0	0	0	114.2	M154 V156 L160 I204 I208 L245	M154-L158 WeakPolarHBondContact O-CG 2.97Å; M154-L158 PolarHBondContact O-N 3.39Å; V156-L158 VanDerWaalsContact C-N 3.3Å; V156-L158 PolarHBondContact O-N 2.87Å; L158-L160 HydrophobicContact CB-CD1 4.46Å; L158-L160 HydrophobicContact CB-CD2 4.32Å; L158-L160 HydrophobicContact CB-CG 3.95Å; L158-L160 PolarHBondContact O-N 2.66Å; L158-L160 VanDerWaalsContact O-N 3.1Å; L158-I204 HydrophobicContact CD1-CD1 4.25Å; L158-I204 HydrophobicContact CD1-CG2 3.92Å; L158-I204 HydrophobicContact CD2-CG2 3.75Å; L158-I208 HydrophobicContact CD2-CD1 4.05Å; L158-L245 HydrophobicContact CD1-CD1 3.73Å
159	N	93.8	Very high	96.4	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	21.6	176.2	-149.9	69.4	0	0	0	114.9	F155 V156 D157 P161 E162 L163 K228	F155-N159 PolarHBondContact O-N 3.38Å; V156-N159 WeakPolarHBondContact O-CA 3.45Å; V156-N159 PolarHBondContact O-N 3.09Å; D157-N159 PolarHBondContact O-N 3.02Å; N159-P161 VanDerWaalsContact C-CD 3.44Å; N159-E162 PolarHBondContact ND2-OE2 3.21Å; N159-E162 PolarHBondContact O-N 2.98Å; N159-L163 HydrophobicContact CB-CD1 4.17Å; N159-L163 HydrophobicContact CB-CG 4.46Å; N159-L163 WeakPolarHBondContact O-CG 3.27Å; N159-L163 PolarHBondContact O-N 3.07Å; N159-L163 VanDerWaalsContact O-N 3.08Å; N159-K228 PolarHBondContact OD1-NZ 3.44Å
160	L	95.5	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-36.3	-175.3	-59.7	-177.8	0	0	0	114.8	F155 L158 E162 L163 C164 F166 L241 L242 L245	F155-L160 HydrophobicContact CD1-CD1 3.97Å; F155-L160 HydrophobicContact CG-CD1 4.46Å; F155-L160 PolarHBondContact O-N 2.89Å; L158-L160 HydrophobicContact CB-CD1 4.46Å; L158-L160 HydrophobicContact CB-CD2 4.32Å; L158-L160 HydrophobicContact CB-CG 3.95Å; L158-L160 PolarHBondContact O-N 2.66Å; L158-L160 VanDerWaalsContact O-N 3.1Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.27Å; L160-L163 PolarHBondContact O-N 3.17Å; L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 3.38Å; L160-F166 HydrophobicContact CB-CE1 4.37Å; L160-F166 HydrophobicContact CB-CZ 4.02Å; L160-L241 HydrophobicContact CD2-CB 3.98Å; L160-L242 HydrophobicContact CD1-CB 4.39Å; L160-L242 HydrophobicContact CD1-CD1 4.17Å; L160-L245 HydrophobicContact CD1-CD1 4.01Å
161	P	97.7	Very high	96.4	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-41.5	175.1	-26.2	34.2	0	0	0	113.3	F155 V156 N159 H165 F166 I168 L171	F155-P161 WeakPolarHBondContact O-CD 3.21Å; V156-P161 HydrophobicContact CG2-CG 4.29Å; N159-P161 VanDerWaalsContact C-CD 3.44Å; P161-H165 CarbonylContact O-C 3.58Å; P161-H165 WeakPolarHBondContact O-CA 3.18Å; P161-H165 PolarHBondContact O-N 3.47Å; P161-H165 VanDerWaalsContact O-N 3.11Å; P161-F166 CarbonylContact C-O 3.52Å; P161-F166 WeakPolarHBondContact CA-O 3.49Å; P161-F166 HydrophobicContact CB-CD2 4.09Å; P161-F166 HydrophobicContact CB-CE2 3.92Å; P161-F166 HydrophobicContact CB-CZ 4.48Å; P161-F166 WeakPolarHBondContact CB-O 3.37Å; P161-F166 HydrophobicContact CG-CD2 4.34Å; P161-F166 HydrophobicContact CG-CE2 3.7Å; P161-F166 HydrophobicContact CG-CZ 4.19Å; P161-F166 PolarHBondContact O-N 3.33Å; P161-I168 HydrophobicContact CB-CD1 3.89Å; P161-I168 HydrophobicContact CG-CD1 3.67Å; P161-L171 HydrophobicContact CG-CD2 4.17Å
162	E	96.7	Very high	96.4	Very high	127 Å²	127	41.8 Å²	41.8	59%	0.593	22%	0.218	S	C	*	.	H	α-helix	trans	-74.5	-45.7	176.3	-175.9	174.4	-154.7	0	0	111	N159 L160 C164 H165	N159-E162 PolarHBondContact ND2-OE2 3.21Å; N159-E162 PolarHBondContact O-N 2.98Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.27Å; E162-C164 PolarHBondContact O-N 2.87Å; E162-H165 PolarHBondContact O-CE1 2.86Å; E162-H165 PolarHBondContact O-N 3.43Å; E162-H165 PolarHBondContact O-ND1 3.3Å
163	L	94.6	Very high	96.4	Very high	87 Å²	87	42.8 Å²	42.8	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-74.3	-19.8	-174.1	-65.7	173.7	0	0	0	115.1	N159 L160	N159-L163 HydrophobicContact CB-CD1 4.17Å; N159-L163 HydrophobicContact CB-CG 4.46Å; N159-L163 WeakPolarHBondContact O-CG 3.27Å; N159-L163 PolarHBondContact O-N 3.07Å; N159-L163 VanDerWaalsContact O-N 3.08Å; L160-L163 PolarHBondContact O-N 3.17Å
164	C	97.1	Very high	96.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	9.4	177	-59.6	0	0	0	0	112.3	L160 E162 F166 L242 L304	L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 3.38Å; E162-C164 PolarHBondContact O-N 2.87Å; C164-F166 HydrophobicContact CB-CD1 3.77Å; C164-F166 HydrophobicContact CB-CE1 3.65Å; C164-F166 PolarHBondContact O-N 2.97Å; C164-L242 HydrophobicContact CB-CD2 3.95Å; C164-L304 HydrophobicContact CB-CD2 3.85Å
165	H	97.9	Very high	96.6	Very high	140 Å²	140	41.2 Å²	41.2	65%	0.648	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	42.6	169.7	-48.7	-28	0	0	0	115.6	P161 E162 G303	P161-H165 CarbonylContact O-C 3.58Å; P161-H165 WeakPolarHBondContact O-CA 3.18Å; P161-H165 PolarHBondContact O-N 3.47Å; P161-H165 VanDerWaalsContact O-N 3.11Å; E162-H165 PolarHBondContact O-CE1 2.86Å; E162-H165 PolarHBondContact O-N 3.43Å; E162-H165 PolarHBondContact O-ND1 3.3Å; H165-G303 WeakPolarHBondContact O-CA 3.5Å
166	F	97.9	Very high	96.6	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.048	22%	0.219	C	C	.	.			trans	-118.8	155.3	172.2	61.5	-98.5	0	0	0	112.1	F155 L160 P161 C164 L171 L242 I300	F155-F166 HydrophobicContact CD1-CZ 4.3Å; L160-F166 HydrophobicContact CB-CE1 4.37Å; L160-F166 HydrophobicContact CB-CZ 4.02Å; P161-F166 CarbonylContact C-O 3.52Å; P161-F166 WeakPolarHBondContact CA-O 3.49Å; P161-F166 HydrophobicContact CB-CD2 4.09Å; P161-F166 HydrophobicContact CB-CE2 3.92Å; P161-F166 HydrophobicContact CB-CZ 4.48Å; P161-F166 WeakPolarHBondContact CB-O 3.37Å; P161-F166 HydrophobicContact CG-CD2 4.34Å; P161-F166 HydrophobicContact CG-CE2 3.7Å; P161-F166 HydrophobicContact CG-CZ 4.19Å; P161-F166 PolarHBondContact O-N 3.33Å; C164-F166 HydrophobicContact CB-CD1 3.77Å; C164-F166 HydrophobicContact CB-CE1 3.65Å; C164-F166 PolarHBondContact O-N 2.97Å; F166-L171 HydrophobicContact CD2-CB 4.22Å; F166-L171 HydrophobicContact CE2-CB 3.93Å; F166-L171 HydrophobicContact CE2-CD1 4.08Å; F166-L171 HydrophobicContact CE2-CD2 4.38Å; F166-L171 HydrophobicContact CE2-CG 4.34Å; F166-L242 HydrophobicContact CE1-CD1 3.83Å; F166-L242 HydrophobicContact CE1-CD2 4.21Å; F166-L242 HydrophobicContact CZ-CD1 4.05Å; F166-I300 HydrophobicContact CD1-CB 4.22Å; F166-I300 WeakPolarHBondContact CD1-O 3.45Å; F166-I300 HydrophobicContact CD2-CB 4.23Å; F166-I300 HydrophobicContact CD2-CG2 4.33Å; F166-I300 HydrophobicContact CE1-CB 4.41Å; F166-I300 HydrophobicContact CE2-CB 4.44Å; F166-I300 HydrophobicContact CG-CB 4.12Å; F166-I300 WeakPolarHBondContact CG-O 3.29Å
167	S	98	Very high	96.6	Very high	56 Å²	56	39.7 Å²	39.7	39%	0.392	21%	0.209	S	C	.	.			trans	-84	160.1	-176.6	84.8	0	0	0	0	113.1	D169 T170 L171	S167-D169 VanDerWaalsContact C-N 3.33Å; S167-D169 PolarHBondContact OG-N 3.3Å; S167-T170 WeakPolarHBondContact O-CB 3.41Å; S167-T170 PolarHBondContact O-N 3.18Å; S167-T170 PolarHBondContact OG-N 2.94Å; S167-T170 PolarHBondContact OG-OG1 2.86Å; S167-L171 PolarHBondContact O-N 3.46Å
168	I	97.6	Very high	96.9	Very high	67 Å²	67	36.2 Å²	36.2	34%	0.344	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-40	174	-57.9	-60.6	0	0	0	111.1	K152 V156 P161 T170 L171 E172	K152-I168 HydrophobicContact CD-CG2 4.42Å; V156-I168 HydrophobicContact CG2-CD1 3.79Å; P161-I168 HydrophobicContact CB-CD1 3.89Å; P161-I168 HydrophobicContact CG-CD1 3.67Å; I168-T170 VanDerWaalsContact C-N 3.29Å; I168-T170 PolarHBondContact O-N 2.83Å; I168-L171 WeakPolarHBondContact O-CB 3.31Å; I168-L171 PolarHBondContact O-N 3.35Å; I168-E172 HydrophobicContact CG2-CG 4.38Å; I168-E172 WeakPolarHBondContact O-CG 3.49Å; I168-E172 PolarHBondContact O-N 3Å
169	D	97.7	Very high	97.2	Very high	89 Å²	89	35 Å²	35	48%	0.476	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-34.9	174.1	-60.5	-85.5	0	0	0	111.8	R120 S167 E172 N173	R120-D169 IonicContact CZ-OD1 3.4Å; R120-D169 IonicContact NH1-OD1 3.69Å; R120-D169 IonicContact NH2-OD1 3.69Å; R120-D169 PolarHBondContact NH2-OD1 3.39Å; S167-D169 VanDerWaalsContact C-N 3.33Å; S167-D169 PolarHBondContact OG-N 3.3Å; D169-E172 PolarHBondContact O-N 2.84Å; D169-N173 VanDerWaalsContact O-CB 3.3Å; D169-N173 WeakPolarHBondContact O-CB 3.26Å; D169-N173 PolarHBondContact O-N 3.49Å; D169-N173 PolarHBondContact O-ND2 3.42Å; D169-N173 VanDerWaalsContact O-ND2 3.11Å
170	T	98.5	Very high	97.3	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-44	173.2	-48.2	0	0	0	0	111.7	S167 I168 W174 T297 I300	S167-T170 WeakPolarHBondContact O-CB 3.41Å; S167-T170 PolarHBondContact O-N 3.18Å; S167-T170 PolarHBondContact OG-N 2.94Å; S167-T170 PolarHBondContact OG-OG1 2.86Å; I168-T170 VanDerWaalsContact C-N 3.29Å; I168-T170 PolarHBondContact O-N 2.83Å; T170-W174 WeakPolarHBondContact O-CB 3.4Å; T170-W174 PolarHBondContact O-N 3.17Å; T170-T297 WeakPolarHBondContact CA-O 3.45Å; T170-I300 HydrophobicContact CG2-CG2 4.15Å
171	L	98.5	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-46.5	175.5	176.7	62.1	0	0	0	111.6	K152 F155 V156 P161 F166 S167 I168 W174 I175	K152-L171 HydrophobicContact CG-CD2 3.89Å; K152-L171 HydrophobicContact CG-CG 4.46Å; F155-L171 HydrophobicContact CB-CD1 3.97Å; F155-L171 HydrophobicContact CB-CD2 3.71Å; F155-L171 HydrophobicContact CD1-CD1 3.61Å; F155-L171 HydrophobicContact CD2-CD1 4.33Å; F155-L171 HydrophobicContact CE1-CD1 4.12Å; F155-L171 HydrophobicContact CG-CD1 3.73Å; F155-L171 HydrophobicContact CG-CD2 4.41Å; V156-L171 HydrophobicContact CG2-CD2 4.16Å; P161-L171 HydrophobicContact CG-CD2 4.17Å; F166-L171 HydrophobicContact CD2-CB 4.22Å; F166-L171 HydrophobicContact CE2-CB 3.93Å; F166-L171 HydrophobicContact CE2-CD1 4.08Å; F166-L171 HydrophobicContact CE2-CD2 4.38Å; F166-L171 HydrophobicContact CE2-CG 4.34Å; S167-L171 PolarHBondContact O-N 3.46Å; I168-L171 WeakPolarHBondContact O-CB 3.31Å; I168-L171 PolarHBondContact O-N 3.35Å; L171-W174 HydrophobicContact CD1-CE3 4.12Å; L171-W174 HydrophobicContact CD1-CZ3 4.46Å; L171-W174 PolarHBondContact O-N 2.93Å; L171-I175 HydrophobicContact CD1-CD1 3.85Å; L171-I175 HydrophobicContact CD1-CG1 4.19Å; L171-I175 HydrophobicContact CG-CD1 3.88Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.42Å; L171-I175 PolarHBondContact O-N 3.39Å
172	E	98	Very high	97.3	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-69.2	-40	-178.7	-71	-179.8	131.1	0	0	112.4	F116 R120 K152 I168 D169 W174 F176	F116-E172 HydrophobicContact CE1-CB 4.23Å; F116-E172 HydrophobicContact CE1-CG 4.38Å; F116-E172 HydrophobicContact CZ-CB 4.21Å; F116-E172 HydrophobicContact CZ-CG 3.89Å; F116-E172 WeakPolarHBondContact CZ-OE1 3.27Å; R120-E172 WeakPolarHBondContact CB-OE1 3.33Å; R120-E172 IonicContact CZ-OE2 2.75Å; R120-E172 IonicContact NE-OE1 2.67Å; R120-E172 PolarHBondContact NE-OE1 2.8Å; R120-E172 IonicContact NE-OE2 2.74Å; R120-E172 PolarHBondContact NE-OE2 2.74Å; R120-E172 IonicContact NH2-OE2 3.45Å; R120-E172 PolarHBondContact NH2-OE2 3.03Å; K152-E172 VanDerWaalsContact CD-CD 3.45Å; K152-E172 HydrophobicContact CD-CG 3.39Å; K152-E172 WeakPolarHBondContact CD-OE1 3.43Å; K152-E172 WeakPolarHBondContact CE-OE1 3.16Å; K152-E172 HydrophobicContact CG-CG 4.17Å; K152-E172 IonicContact NZ-OE1 3.71Å; K152-E172 PolarHBondContact NZ-OE1 3.13Å; I168-E172 HydrophobicContact CG2-CG 4.38Å; I168-E172 WeakPolarHBondContact O-CG 3.49Å; I168-E172 PolarHBondContact O-N 3Å; D169-E172 PolarHBondContact O-N 2.84Å; E172-W174 VanDerWaalsContact C-N 3.3Å; E172-W174 PolarHBondContact O-N 3.33Å; E172-F176 VanDerWaalsContact O-CB 3.3Å; E172-F176 WeakPolarHBondContact O-CB 3.43Å; E172-F176 PolarHBondContact O-N 3.04Å
173	N	97.8	Very high	97.3	Very high	44 Å²	44	31.6 Å²	31.6	24%	0.235	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-40.5	170.8	-74.8	-30.6	0	0	0	111.5	D169 S177 T297 A298	D169-N173 VanDerWaalsContact O-CB 3.3Å; D169-N173 WeakPolarHBondContact O-CB 3.26Å; D169-N173 PolarHBondContact O-N 3.49Å; D169-N173 PolarHBondContact O-ND2 3.42Å; D169-N173 VanDerWaalsContact O-ND2 3.11Å; N173-S177 WeakPolarHBondContact O-CB 3.43Å; N173-S177 PolarHBondContact O-N 3.03Å; N173-S177 PolarHBondContact O-OG 2.97Å; N173-T297 VanDerWaalsContact CB-O 3.25Å; N173-T297 WeakPolarHBondContact CB-O 3.5Å; N173-T297 PolarHBondContact ND2-O 3.05Å; N173-T297 VanDerWaalsContact ND2-O 3.07Å; N173-A298 HydrophobicContact CB-CB 4.3Å
174	W	98.5	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-50.7	177.7	174.5	67.5	0	0	0	113.2	F155 T170 L171 E172 F176 S177 T178 F246 L249 A298 I300	F155-W174 HydrophobicContact CE1-CH2 4.42Å; F155-W174 AromaticContact CE1-CZ3 3.87Å; F155-W174 HydrophobicContact CE1-CZ3 3.87Å; F155-W174 HydrophobicContact CE2-CH2 4.44Å; F155-W174 AromaticContact CE2-CZ3 3.93Å; F155-W174 HydrophobicContact CE2-CZ3 3.93Å; F155-W174 HydrophobicContact CZ-CE3 4.46Å; F155-W174 AromaticContact CZ-CH2 3.72Å; F155-W174 HydrophobicContact CZ-CH2 3.72Å; F155-W174 AromaticContact CZ-CZ3 3.36Å; F155-W174 HydrophobicContact CZ-CZ3 3.36Å; T170-W174 WeakPolarHBondContact O-CB 3.4Å; T170-W174 PolarHBondContact O-N 3.17Å; L171-W174 HydrophobicContact CD1-CE3 4.12Å; L171-W174 HydrophobicContact CD1-CZ3 4.46Å; L171-W174 PolarHBondContact O-N 2.93Å; E172-W174 VanDerWaalsContact C-N 3.3Å; E172-W174 PolarHBondContact O-N 3.33Å; W174-F176 PolarHBondContact O-N 3.45Å; W174-S177 PolarHBondContact O-N 3.17Å; W174-S177 VanDerWaalsContact O-N 3.12Å; W174-T178 PolarHBondContact NE1-OG1 2.74Å; W174-T178 WeakPolarHBondContact O-CB 3.35Å; W174-T178 PolarHBondContact O-N 3.3Å; W174-T178 PolarHBondContact O-OG1 3.31Å; W174-F246 AromaticContact CE2-CD2 3.66Å; W174-F246 AromaticContact CE2-CE2 3.59Å; W174-F246 AromaticContact CH2-CD2 3.97Å; W174-F246 HydrophobicContact CH2-CD2 3.97Å; W174-F246 AromaticContact CZ2-CD2 3.27Å; W174-F246 HydrophobicContact CZ2-CD2 3.27Å; W174-F246 AromaticContact CZ2-CE2 3.59Å; W174-F246 HydrophobicContact CZ2-CE2 3.59Å; W174-F246 HydrophobicContact CZ2-CG 4.06Å; W174-F246 AromaticContact NE1-CD2 3.98Å; W174-F246 AromaticContact NE1-CE2 3.4Å; W174-L249 HydrophobicContact CE3-CD2 4.47Å; W174-L249 HydrophobicContact CH2-CB 3.91Å; W174-L249 HydrophobicContact CH2-CD2 3.45Å; W174-L249 VanDerWaalsContact CH2-CD2 3.45Å; W174-L249 HydrophobicContact CH2-CG 4.3Å; W174-L249 HydrophobicContact CZ2-CB 4.5Å; W174-L249 HydrophobicContact CZ2-CD2 4.16Å; W174-L249 HydrophobicContact CZ3-CD2 3.63Å; W174-A298 HydrophobicContact CB-CB 4.08Å; W174-A298 WeakPolarHBondContact CB-O 3.41Å; W174-I300 HydrophobicContact CB-CG2 3.61Å; W174-I300 HydrophobicContact CD2-CD1 3.92Å; W174-I300 HydrophobicContact CD2-CG2 4.22Å; W174-I300 HydrophobicContact CE3-CD1 3.88Å; W174-I300 HydrophobicContact CE3-CG2 4.36Å; W174-I300 HydrophobicContact CG-CD1 4.48Å; W174-I300 HydrophobicContact CG-CG2 3.88Å; W174-I300 HydrophobicContact CH2-CD1 4.46Å; W174-I300 HydrophobicContact CZ3-CD1 4.16Å
175	I	98.6	Very high	97.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-40.7	177.6	-61.8	162.9	0	0	0	109.6	I148 V151 K152 L171 T178 Y179 L249	I148-I175 HydrophobicContact CB-CG2 4.34Å; I148-I175 HydrophobicContact CG1-CG2 4.32Å; I148-I175 HydrophobicContact CG2-CG2 3.8Å; V151-I175 HydrophobicContact CB-CD1 4.35Å; V151-I175 HydrophobicContact CB-CG2 4.36Å; V151-I175 HydrophobicContact CG1-CD1 3.83Å; V151-I175 HydrophobicContact CG1-CG1 3.98Å; V151-I175 HydrophobicContact CG1-CG2 4.18Å; K152-I175 HydrophobicContact CB-CD1 3.85Å; L171-I175 HydrophobicContact CD1-CD1 3.85Å; L171-I175 HydrophobicContact CD1-CG1 4.19Å; L171-I175 HydrophobicContact CG-CD1 3.88Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.42Å; L171-I175 PolarHBondContact O-N 3.39Å; I175-T178 PolarHBondContact O-N 3.23Å; I175-Y179 WeakPolarHBondContact O-CB 3.41Å; I175-Y179 PolarHBondContact O-N 3.46Å; I175-L249 HydrophobicContact CG1-CD2 4.25Å; I175-L249 HydrophobicContact CG2-CD2 4.27Å
176	F	95.8	Very high	97.2	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-73.9	-28.1	179.8	-151.9	-94.4	0	0	0	114.1	F109 V112 R113 F116 I148 E172 W174 Y179 S180	F109-F176 AromaticContact CD2-CE1 3.92Å; F109-F176 HydrophobicContact CD2-CE1 3.92Å; F109-F176 HydrophobicContact CD2-CZ 4.04Å; F109-F176 HydrophobicContact CE1-CE1 4.04Å; F109-F176 AromaticContact CE2-CD1 3.8Å; F109-F176 HydrophobicContact CE2-CD1 3.8Å; F109-F176 AromaticContact CE2-CE1 3.16Å; F109-F176 HydrophobicContact CE2-CE1 3.16Å; F109-F176 AromaticContact CE2-CZ 3.69Å; F109-F176 HydrophobicContact CE2-CZ 3.69Å; F109-F176 AromaticContact CZ-CD1 3.8Å; F109-F176 HydrophobicContact CZ-CD1 3.8Å; F109-F176 AromaticContact CZ-CE1 3.27Å; F109-F176 HydrophobicContact CZ-CE1 3.27Å; F109-F176 HydrophobicContact CZ-CZ 4.19Å; V112-F176 HydrophobicContact CG1-CE2 4.32Å; R113-F176 HydrophobicContact CB-CE1 3.64Å; R113-F176 HydrophobicContact CB-CE2 4.1Å; R113-F176 HydrophobicContact CB-CZ 3.3Å; R113-F176 HydrophobicContact CG-CD1 4.26Å; R113-F176 HydrophobicContact CG-CE1 3.57Å; R113-F176 HydrophobicContact CG-CE2 4.29Å; R113-F176 HydrophobicContact CG-CZ 3.65Å; F116-F176 HydrophobicContact CD1-CD2 4.22Å; I148-F176 HydrophobicContact CD1-CD2 3.97Å; I148-F176 HydrophobicContact CD1-CE2 3.9Å; E172-F176 VanDerWaalsContact O-CB 3.3Å; E172-F176 WeakPolarHBondContact O-CB 3.43Å; E172-F176 PolarHBondContact O-N 3.04Å; W174-F176 PolarHBondContact O-N 3.45Å; F176-Y179 HydrophobicContact CE2-CD1 4.23Å; F176-Y179 HydrophobicContact CZ-CD1 4.26Å; F176-S180 PolarHBondContact O-N 3.12Å
177	S	95.6	Very high	97.2	Very high	22 Å²	22	28 Å²	28	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-76.6	-29	171.2	-52.7	0	0	0	0	112	N173 W174 S180	N173-S177 WeakPolarHBondContact O-CB 3.43Å; N173-S177 PolarHBondContact O-N 3.03Å; N173-S177 PolarHBondContact O-OG 2.97Å; W174-S177 PolarHBondContact O-N 3.17Å; W174-S177 VanDerWaalsContact O-N 3.12Å; S177-S180 PolarHBondContact O-OG 3.07Å
178	T	98.1	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.7	-44.4	172.4	-55.5	0	0	0	0	109.9	W174 I175 S180 R181 Y182 L249 L253	W174-T178 PolarHBondContact NE1-OG1 2.74Å; W174-T178 WeakPolarHBondContact O-CB 3.35Å; W174-T178 PolarHBondContact O-N 3.3Å; W174-T178 PolarHBondContact O-OG1 3.31Å; I175-T178 PolarHBondContact O-N 3.23Å; T178-S180 VanDerWaalsContact C-N 3.32Å; T178-S180 PolarHBondContact O-N 3.02Å; T178-R181 PolarHBondContact O-N 3.11Å; T178-R181 VanDerWaalsContact O-N 3.17Å; T178-Y182 HydrophobicContact CG2-CE2 4.21Å; T178-Y182 WeakPolarHBondContact O-CD2 3.47Å; T178-L249 HydrophobicContact CG2-CD2 4.07Å; T178-L249 HydrophobicContact CG2-CG 4.02Å; T178-L249 WeakPolarHBondContact CG2-O 3.39Å; T178-L253 HydrophobicContact CG2-CD1 4.28Å; T178-L253 HydrophobicContact CG2-CD2 3.79Å; T178-L253 HydrophobicContact CG2-CG 4.33Å; T178-L253 WeakPolarHBondContact O-CD2 3.46Å
179	Y	97.8	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.3	-43.6	171.5	-177.7	-103.9	0	0	0	112.7	L104 F109 V112 D144 I148 I175 F176 R181 Y182 F190	L104-Y179 HydrophobicContact CD1-CE1 4.28Å; L104-Y179 HydrophobicContact CD1-CE2 4.43Å; F109-Y179 AromaticContact CD2-CD1 3.88Å; F109-Y179 HydrophobicContact CD2-CD1 3.88Å; F109-Y179 HydrophobicContact CD2-CE1 4.02Å; F109-Y179 HydrophobicContact CE2-CD1 4.05Å; V112-Y179 HydrophobicContact CB-CE1 4.09Å; V112-Y179 HydrophobicContact CG1-CD1 4.47Å; V112-Y179 HydrophobicContact CG1-CE1 3.78Å; D144-Y179 HydrophobicContact CB-CE2 3.78Å; D144-Y179 WeakPolarHBondContact OD2-CE2 3.32Å; D144-Y179 PolarHBondContact OD2-OH 2.84Å; I148-Y179 HydrophobicContact CD1-CD1 4.16Å; I148-Y179 HydrophobicContact CD1-CD2 3.85Å; I148-Y179 HydrophobicContact CD1-CE2 4.32Å; I148-Y179 HydrophobicContact CD1-CG 3.78Å; I148-Y179 HydrophobicContact CG1-CD2 4.35Å; I175-Y179 WeakPolarHBondContact O-CB 3.41Å; I175-Y179 PolarHBondContact O-N 3.46Å; F176-Y179 HydrophobicContact CE2-CD1 4.23Å; F176-Y179 HydrophobicContact CZ-CD1 4.26Å; Y179-R181 PolarHBondContact O-N 2.66Å; Y179-Y182 PolarHBondContact O-N 2.93Å; Y179-F190 HydrophobicContact CD2-CB 3.92Å; Y179-F190 AromaticContact CD2-CD1 3.49Å; Y179-F190 HydrophobicContact CD2-CD1 3.49Å; Y179-F190 VanDerWaalsContact CD2-CD1 3.49Å; Y179-F190 AromaticContact CD2-CD2 3.73Å; Y179-F190 HydrophobicContact CD2-CD2 3.73Å; Y179-F190 AromaticContact CD2-CE1 3.86Å; Y179-F190 HydrophobicContact CD2-CE1 3.86Å; Y179-F190 HydrophobicContact CD2-CE2 4.07Å; Y179-F190 AromaticContact CD2-CG 3.41Å; Y179-F190 HydrophobicContact CD2-CG 3.41Å; Y179-F190 VanDerWaalsContact CD2-CG 3.41Å; Y179-F190 HydrophobicContact CD2-CZ 4.13Å; Y179-F190 HydrophobicContact CE2-CB 4Å; Y179-F190 AromaticContact CE2-CD1 3.64Å; Y179-F190 HydrophobicContact CE2-CD1 3.64Å; Y179-F190 HydrophobicContact CE2-CE1 4.26Å; Y179-F190 AromaticContact CE2-CG 3.81Å; Y179-F190 HydrophobicContact CE2-CG 3.81Å
180	S	94.8	Very high	97.3	Very high	50 Å²	50	20.9 Å²	20.9	35%	0.35	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.2	-178.5	79.6	0	0	0	0	114.8	F109 F176 S177 T178	F109-S180 VanDerWaalsContact CZ-CB 3.48Å; F176-S180 PolarHBondContact O-N 3.12Å; S177-S180 PolarHBondContact O-OG 3.07Å; T178-S180 VanDerWaalsContact C-N 3.32Å; T178-S180 PolarHBondContact O-N 3.02Å
181	R	96.1	Very high	97.3	Very high	55 Å²	55	21.7 Å²	21.7	21%	0.208	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.9	-179.8	-64.9	-64.8	-120.5	102.4	3.3	113.3	T178 Y179 L253 D254 T287 D290 L291	T178-R181 PolarHBondContact O-N 3.11Å; T178-R181 VanDerWaalsContact O-N 3.17Å; Y179-R181 PolarHBondContact O-N 2.66Å; R181-L253 HydrophobicContact CB-CD2 3.62Å; R181-D254 IonicContact NH1-OD2 2.84Å; R181-D254 VanDerWaalsContact O-CA 3.26Å; R181-D254 WeakPolarHBondContact O-CA 3.5Å; R181-D254 PolarHBondContact O-N 2.86Å; R181-T287 HydrophobicContact CB-CG2 4.14Å; R181-T287 HydrophobicContact CG-CG2 4.16Å; R181-T287 VanDerWaalsContact CZ-CG2 3.42Å; R181-T287 VanDerWaalsContact NH1-CG2 3.33Å; R181-D290 IonicContact CZ-OD2 3.41Å; R181-D290 IonicContact NH2-OD2 2.92Å; R181-D290 PolarHBondContact NH2-OD2 2.89Å; R181-L291 HydrophobicContact CB-CD1 4.49Å; R181-L291 HydrophobicContact CG-CD1 4.02Å; R181-L291 HydrophobicContact CG-CD2 3.78Å; R181-L291 HydrophobicContact CG-CG 4.18Å
182	Y	97.4	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.115	C	C	.	.			trans	-79	139.1	169	-89.7	-76.7	0	0	0	111.6	T178 Y179 F190 A193 L249 D252 L253	T178-Y182 HydrophobicContact CG2-CE2 4.21Å; T178-Y182 WeakPolarHBondContact O-CD2 3.47Å; Y179-Y182 PolarHBondContact O-N 2.93Å; Y182-F190 HydrophobicContact CD2-CB 4.25Å; Y182-F190 AromaticContact CD2-CD2 3.97Å; Y182-F190 HydrophobicContact CD2-CD2 3.97Å; Y182-F190 HydrophobicContact CE2-CD2 4.45Å; Y182-F190 HydrophobicContact CG-CB 4.06Å; Y182-A193 HydrophobicContact CE1-CB 3.98Å; Y182-A193 HydrophobicContact CE2-CB 3.67Å; Y182-A193 VanDerWaalsContact OH-CB 3.3Å; Y182-A193 WeakPolarHBondContact OH-CB 3.44Å; Y182-L249 WeakPolarHBondContact CE2-O 3.39Å; Y182-L249 PolarHBondContact OH-O 3.15Å; Y182-D252 HydrophobicContact CE1-CB 3.65Å; Y182-D252 WeakPolarHBondContact CE1-O 3.18Å; Y182-D252 PolarHBondContact OH-N 2.72Å; Y182-L253 HydrophobicContact CD2-CD2 3.92Å; Y182-L253 HydrophobicContact CE2-CD2 3.7Å; Y182-L253 HydrophobicContact CE2-CG 4.2Å
183	N	96.3	Very high	97.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-91.5	157.2	179	-66	-36.1	0	0	0	111.1	I102 K103 V185 N189 D254 H255	I102-N183 HydrophobicContact CD1-CB 4.33Å; I102-N183 HydrophobicContact CG1-CB 4.49Å; I102-N183 WeakPolarHBondContact O-CB 3.4Å; K103-N183 WeakPolarHBondContact CD-OD1 3.33Å; K103-N183 VanDerWaalsContact CE-OD1 3.3Å; K103-N183 WeakPolarHBondContact CE-OD1 3.47Å; K103-N183 PolarHBondContact NZ-OD1 2.72Å; N183-V185 HydrophobicContact CB-CG1 4.06Å; N183-V185 PolarHBondContact O-N 3.17Å; N183-N189 WeakPolarHBondContact O-CB 3.3Å; N183-D254 VanDerWaalsContact ND2-C 3.32Å; N183-D254 PolarHBondContact ND2-O 3.32Å; N183-D254 PolarHBondContact ND2-OD1 3.47Å; N183-H255 WeakPolarHBondContact CB-O 3.25Å; N183-H255 PolarHBondContact ND2-O 3.35Å
184	N	95.2	Very high	97.4	Very high	105 Å²	105	19.2 Å²	19.2	56%	0.561	10%	0.102	S	C	*	.			trans	-84.2	55.7	177.8	-172.6	66.6	0	0	0	110.9	I102 L104	I102-N184 PolarHBondContact O-N 3.12Å; L104-N184 HydrophobicContact CD2-CB 4.04Å; L104-N184 HydrophobicContact CG-CB 4.27Å
185	V	96	Very high	97.4	Very high	9 Å²	9	19.2 Å²	19.2	6%	0.055	10%	0.102	C	C	.	.			trans	-96.3	156.1	176.7	-60.6	0	0	0	0	110.5	I102 N183 F187 H188 N189	I102-V185 HydrophobicContact CB-CG1 4.42Å; N183-V185 HydrophobicContact CB-CG1 4.06Å; N183-V185 PolarHBondContact O-N 3.17Å; V185-F187 PolarHBondContact O-N 2.87Å; V185-H188 HydrophobicContact CG2-CB 4.2Å; V185-H188 VanDerWaalsContact CG2-O 3.28Å; V185-H188 WeakPolarHBondContact CG2-O 3.42Å; V185-N189 HydrophobicContact CG2-CB 4.49Å; V185-N189 WeakPolarHBondContact O-CB 3.33Å; V185-N189 PolarHBondContact O-ND2 3.12Å
186	P	97.4	Very high	97.4	Very high	31 Å²	31	19.2 Å²	19.2	20%	0.201	10%	0.102	C	C	.	.	S	Bend	trans	-61.1	-41	-170.5	-24.4	34.1	0	0	0	114.9	N189 C535 N538 E539 L542	P186-N189 PolarHBondContact O-ND2 3.26Å; P186-C535 WeakPolarHBondContact CB-O 3.32Å; P186-C535 VanDerWaalsContact O-CB 3.3Å; P186-C535 WeakPolarHBondContact O-CB 3.49Å; P186-N538 HydrophobicContact CB-CB 4.05Å; P186-N538 HydrophobicContact CG-CB 4.33Å; P186-N538 WeakPolarHBondContact CG-ND2 3.41Å; P186-E539 HydrophobicContact CB-CB 4.11Å; P186-E539 WeakPolarHBondContact CD-OE2 3.44Å; P186-E539 HydrophobicContact CG-CB 4.12Å; P186-E539 HydrophobicContact CG-CG 4.49Å; P186-L542 HydrophobicContact CG-CD1 3.92Å
187	F	98.5	Very high	97.6	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.088	10%	0.1	C	C	.	.	S	Bend	trans	-110.3	-60.8	-175.4	-172.7	-88.4	0	0	0	113.1	V185 N189 H192 W532 C535 L536 E539	V185-F187 PolarHBondContact O-N 2.87Å; F187-N189 PolarHBondContact O-N 3.33Å; F187-N189 PolarHBondContact O-ND2 2.79Å; F187-H192 AromaticContact CE1-ND1 3.89Å; F187-H192 AromaticContact CZ-CE1 3.91Å; F187-H192 VanDerWaalsContact O-CB 3.25Å; F187-H192 WeakPolarHBondContact O-CB 3.48Å; F187-W532 AromaticContact CD2-CE3 3.73Å; F187-W532 HydrophobicContact CD2-CE3 3.73Å; F187-W532 HydrophobicContact CD2-CZ3 4.23Å; F187-W532 HydrophobicContact CE2-CB 4.46Å; F187-W532 AromaticContact CE2-CE3 3.84Å; F187-W532 HydrophobicContact CE2-CE3 3.84Å; F187-C535 HydrophobicContact CB-CB 4.41Å; F187-C535 HydrophobicContact CD2-CB 4.19Å; F187-L536 HydrophobicContact CD1-CD1 4.26Å; F187-L536 HydrophobicContact CD2-CB 3.64Å; F187-L536 HydrophobicContact CD2-CD1 3.97Å; F187-L536 HydrophobicContact CD2-CG 4.41Å; F187-L536 HydrophobicContact CE1-CD1 4.4Å; F187-L536 HydrophobicContact CE2-CB 3.95Å; F187-L536 HydrophobicContact CE2-CD1 4.11Å; F187-L536 HydrophobicContact CG-CB 4.37Å; F187-L536 HydrophobicContact CG-CD1 4.04Å; F187-L536 HydrophobicContact CZ-CD1 4.32Å; F187-E539 WeakPolarHBondContact CA-OE2 3.22Å; F187-E539 HydrophobicContact CB-CB 4.37Å; F187-E539 WeakPolarHBondContact CB-OE2 3.46Å; F187-E539 PolarHBondContact N-OE2 2.86Å
188	H	98.4	Very high	97.7	Very high	31 Å²	31	17.8 Å²	17.8	14%	0.144	9%	0.093	C	C	.	.	S	Bend	trans	-79.6	57.3	-171.3	-55.5	93.1	0	0	0	112.5	V185 D252 H255 E539	V185-H188 HydrophobicContact CG2-CB 4.2Å; V185-H188 VanDerWaalsContact CG2-O 3.28Å; V185-H188 WeakPolarHBondContact CG2-O 3.42Å; H188-D252 IonicContact CD2-OD2 3.58Å; H188-D252 PolarHBondContact CD2-OD2 3.1Å; H188-D252 VanDerWaalsContact CD2-OD2 3.25Å; H188-D252 IonicContact CG-OD2 3.58Å; H188-H255 HydrophobicContact CB-CB 3.88Å; H188-H255 VanDerWaalsContact CB-ND1 3.32Å; H188-H255 WeakPolarHBondContact CB-ND1 3.37Å; H188-H255 AromaticContact CE1-CE1 3.91Å; H188-H255 AromaticContact CG-CE1 3.67Å; H188-H255 AromaticContact CG-CG 3.99Å; H188-H255 AromaticContact CG-ND1 3.57Å; H188-H255 AromaticContact ND1-CE1 3.31Å; H188-H255 PolarHBondContact ND1-CE1 3.42Å; H188-H255 VanDerWaalsContact ND1-CE1 3.31Å; H188-H255 AromaticContact ND1-ND1 3.57Å; H188-E539 IonicContact CE1-OE1 2.73Å; H188-E539 IonicContact CG-OE1 2.65Å; H188-E539 PolarHBondContact N-OE2 2.82Å; H188-E539 IonicContact ND1-OE1 2.72Å; H188-E539 PolarHBondContact ND1-OE1 3.37Å; H188-E539 IonicContact ND1-OE2 3.16Å
189	N	97.7	Very high	97.6	Very high	26 Å²	26	17.8 Å²	17.8	14%	0.139	9%	0.093	C	C	.	.	S	Bend	trans	-114.7	179.6	-178	62.8	56.3	0	0	0	111.6	N183 V185 P186 F187 K191 H192 A193	N183-N189 WeakPolarHBondContact O-CB 3.3Å; V185-N189 HydrophobicContact CG2-CB 4.49Å; V185-N189 WeakPolarHBondContact O-CB 3.33Å; V185-N189 PolarHBondContact O-ND2 3.12Å; P186-N189 PolarHBondContact O-ND2 3.26Å; F187-N189 PolarHBondContact O-N 3.33Å; F187-N189 PolarHBondContact O-ND2 2.79Å; N189-K191 PolarHBondContact O-N 2.77Å; N189-K191 VanDerWaalsContact O-N 3.15Å; N189-K191 WeakPolarHBondContact OD1-CB 3.28Å; N189-K191 PolarHBondContact OD1-N 3.28Å; N189-H192 WeakPolarHBondContact O-CB 3.49Å; N189-H192 PolarHBondContact O-N 3.41Å; N189-A193 PolarHBondContact O-N 2.91Å; N189-A193 VanDerWaalsContact O-N 3.16Å
190	F	98.4	Very high	97.6	Very high	5 Å²	5	18 Å²	18	2%	0.022	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-28.4	-177.7	-178.5	-103.6	0	0	0	114.2	L147 I148 Y179 Y182 H192 A193 F194 L249	L147-F190 HydrophobicContact CB-CE1 4.13Å; I148-F190 HydrophobicContact CG1-CE1 3.76Å; I148-F190 HydrophobicContact CG1-CZ 3.62Å; Y179-F190 HydrophobicContact CD2-CB 3.92Å; Y179-F190 AromaticContact CD2-CD1 3.49Å; Y179-F190 HydrophobicContact CD2-CD1 3.49Å; Y179-F190 VanDerWaalsContact CD2-CD1 3.49Å; Y179-F190 AromaticContact CD2-CD2 3.73Å; Y179-F190 HydrophobicContact CD2-CD2 3.73Å; Y179-F190 AromaticContact CD2-CE1 3.86Å; Y179-F190 HydrophobicContact CD2-CE1 3.86Å; Y179-F190 HydrophobicContact CD2-CE2 4.07Å; Y179-F190 AromaticContact CD2-CG 3.41Å; Y179-F190 HydrophobicContact CD2-CG 3.41Å; Y179-F190 VanDerWaalsContact CD2-CG 3.41Å; Y179-F190 HydrophobicContact CD2-CZ 4.13Å; Y179-F190 HydrophobicContact CE2-CB 4Å; Y179-F190 AromaticContact CE2-CD1 3.64Å; Y179-F190 HydrophobicContact CE2-CD1 3.64Å; Y179-F190 HydrophobicContact CE2-CE1 4.26Å; Y179-F190 AromaticContact CE2-CG 3.81Å; Y179-F190 HydrophobicContact CE2-CG 3.81Å; Y182-F190 HydrophobicContact CD2-CB 4.25Å; Y182-F190 AromaticContact CD2-CD2 3.97Å; Y182-F190 HydrophobicContact CD2-CD2 3.97Å; Y182-F190 HydrophobicContact CE2-CD2 4.45Å; Y182-F190 HydrophobicContact CG-CB 4.06Å; F190-H192 VanDerWaalsContact C-N 3.29Å; F190-H192 PolarHBondContact O-N 3.22Å; F190-A193 PolarHBondContact O-N 3.07Å; F190-F194 WeakPolarHBondContact O-CB 3.49Å; F190-F194 PolarHBondContact O-N 3.03Å; F190-L249 HydrophobicContact CE2-CD1 4.07Å
191	K	98.5	Very high	97.5	Very high	38 Å²	38	15.9 Å²	15.9	17%	0.165	8%	0.079	C	C	.	.	H	α-helix	trans	-69.3	-29.1	175.9	-68.8	-165.4	-177.6	-59.3	0	111.8	W140 Y142 D144 L147 N189 M195 W532	W140-K191 HydrophobicContact CE3-CD 4.13Å; W140-K191 HydrophobicContact CZ3-CD 3.91Å; Y142-K191 PolarHBondContact O-NZ 2.96Å; Y142-K191 VanDerWaalsContact O-NZ 3.09Å; D144-K191 WeakPolarHBondContact OD1-CE 3.41Å; D144-K191 IonicContact OD1-NZ 3.45Å; D144-K191 PolarHBondContact OD1-NZ 2.95Å; L147-K191 HydrophobicContact CD1-CD 4.43Å; L147-K191 HydrophobicContact CD1-CG 3.94Å; N189-K191 PolarHBondContact O-N 2.77Å; N189-K191 VanDerWaalsContact O-N 3.15Å; N189-K191 WeakPolarHBondContact OD1-CB 3.28Å; N189-K191 PolarHBondContact OD1-N 3.28Å; K191-M195 VanDerWaalsContact O-CG 3.25Å; K191-M195 WeakPolarHBondContact O-CG 3.47Å; K191-M195 PolarHBondContact O-N 2.69Å; K191-W532 HydrophobicContact CB-CH2 3.81Å; K191-W532 HydrophobicContact CB-CZ2 3.99Å
192	H	98.8	Very high	97.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-71.9	-50.7	171.8	168.7	64.5	0	0	0	109.9	F187 N189 F190 F194 M195 V196 H251 D252 D518 N521 W532	F187-H192 AromaticContact CE1-ND1 3.89Å; F187-H192 AromaticContact CZ-CE1 3.91Å; F187-H192 VanDerWaalsContact O-CB 3.25Å; F187-H192 WeakPolarHBondContact O-CB 3.48Å; N189-H192 WeakPolarHBondContact O-CB 3.49Å; N189-H192 PolarHBondContact O-N 3.41Å; F190-H192 VanDerWaalsContact C-N 3.29Å; F190-H192 PolarHBondContact O-N 3.22Å; H192-F194 PolarHBondContact O-N 2.92Å; H192-M195 CarbonylContact O-C 3.59Å; H192-M195 WeakPolarHBondContact O-CA 3.39Å; H192-M195 WeakPolarHBondContact O-CB 3.32Å; H192-M195 PolarHBondContact O-N 3.4Å; H192-V196 WeakPolarHBondContact NE2-CG2 3.33Å; H192-V196 WeakPolarHBondContact O-CG2 3.47Å; H192-V196 PolarHBondContact O-N 3.37Å; H192-H251 AromaticContact CD2-NE2 3.85Å; H192-D252 IonicContact CD2-OD2 2.69Å; H192-D252 PolarHBondContact CD2-OD2 3.03Å; H192-D518 PolarHBondContact NE2-O 3.24Å; H192-D518 IonicContact NE2-OD1 3.7Å; H192-D518 PolarHBondContact NE2-OD1 2.98Å; H192-N521 PolarHBondContact CE1-ND2 3.45Å; H192-W532 HydrophobicContact CB-CH2 3.73Å; H192-W532 HydrophobicContact CB-CZ2 4.41Å; H192-W532 HydrophobicContact CB-CZ3 3.98Å; H192-W532 VanDerWaalsContact N-CH2 3.28Å
193	A	98.8	Very high	97	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-53.8	-39	175.5	0	0	0	0	0	113.4	Y182 N189 F190 T197	Y182-A193 HydrophobicContact CE1-CB 3.98Å; Y182-A193 HydrophobicContact CE2-CB 3.67Å; Y182-A193 VanDerWaalsContact OH-CB 3.3Å; Y182-A193 WeakPolarHBondContact OH-CB 3.44Å; N189-A193 PolarHBondContact O-N 2.91Å; N189-A193 VanDerWaalsContact O-N 3.16Å; F190-A193 PolarHBondContact O-N 3.07Å; A193-T197 WeakPolarHBondContact O-CB 3.36Å; A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.01Å
194	F	98.8	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.1	-48.9	169.5	171.2	-88.9	0	0	0	112	L132 F137 N139 L147 F150 V151 M154 F190 H192 V196 T197 Q198	L132-F194 HydrophobicContact CD2-CZ 3.94Å; F137-F194 AromaticContact CD1-CE1 3.86Å; F137-F194 HydrophobicContact CD1-CE1 3.86Å; F137-F194 HydrophobicContact CD1-CZ 4.26Å; F137-F194 AromaticContact CE1-CE1 3.46Å; F137-F194 HydrophobicContact CE1-CE1 3.46Å; F137-F194 VanDerWaalsContact CE1-CE1 3.46Å; F137-F194 AromaticContact CE1-CZ 3.65Å; F137-F194 HydrophobicContact CE1-CZ 3.65Å; F137-F194 HydrophobicContact CZ-CE1 4.42Å; F137-F194 HydrophobicContact CZ-CZ 4.19Å; N139-F194 HydrophobicContact CB-CD1 4.18Å; N139-F194 HydrophobicContact CB-CE1 4.27Å; L147-F194 HydrophobicContact CB-CD2 3.76Å; L147-F194 HydrophobicContact CB-CE2 4.18Å; L147-F194 HydrophobicContact CB-CG 4.16Å; L147-F194 HydrophobicContact CD1-CD1 4.44Å; L147-F194 HydrophobicContact CD1-CG 4.25Å; L147-F194 HydrophobicContact CD2-CD1 3.93Å; L147-F194 HydrophobicContact CD2-CD2 3.97Å; L147-F194 HydrophobicContact CD2-CE1 3.79Å; L147-F194 HydrophobicContact CD2-CE2 3.83Å; L147-F194 HydrophobicContact CD2-CG 4.05Å; L147-F194 HydrophobicContact CD2-CZ 3.74Å; L147-F194 HydrophobicContact CG-CD2 4.32Å; L147-F194 HydrophobicContact CG-CG 4.38Å; F150-F194 HydrophobicContact CB-CE2 3.87Å; F150-F194 HydrophobicContact CB-CZ 4.42Å; F150-F194 HydrophobicContact CD2-CE2 4.41Å; F150-F194 HydrophobicContact CD2-CZ 4.36Å; V151-F194 HydrophobicContact CG2-CD2 3.74Å; V151-F194 HydrophobicContact CG2-CE2 4.24Å; M154-F194 HydrophobicContact CE-CE2 3.65Å; M154-F194 HydrophobicContact CE-CZ 3.85Å; F190-F194 WeakPolarHBondContact O-CB 3.49Å; F190-F194 PolarHBondContact O-N 3.03Å; H192-F194 PolarHBondContact O-N 2.92Å; F194-V196 PolarHBondContact O-N 2.89Å; F194-T197 PolarHBondContact O-N 3.46Å; F194-Q198 HydrophobicContact CE1-CB 4.06Å; F194-Q198 HydrophobicContact CE1-CG 4.28Å; F194-Q198 HydrophobicContact CZ-CB 4.17Å; F194-Q198 HydrophobicContact CZ-CG 4.2Å; F194-Q198 VanDerWaalsContact O-CB 3.29Å; F194-Q198 WeakPolarHBondContact O-CB 3.32Å; F194-Q198 PolarHBondContact O-N 2.86Å
195	M	98.7	Very high	96.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.3	-34.7	-177.3	-70.8	-63.7	-105	0	0	112.7	F137 N139 K191 H192 Q198 M199 R524 V528 W532	F137-M195 HydrophobicContact CD1-SD 4.37Å; N139-M195 HydrophobicContact CB-CE 4.11Å; N139-M195 HydrophobicContact CB-CG 4.19Å; N139-M195 HydrophobicContact CB-SD 3.69Å; N139-M195 WeakPolarHBondContact OD1-CE 3.3Å; K191-M195 VanDerWaalsContact O-CG 3.25Å; K191-M195 WeakPolarHBondContact O-CG 3.47Å; K191-M195 PolarHBondContact O-N 2.69Å; H192-M195 CarbonylContact O-C 3.59Å; H192-M195 WeakPolarHBondContact O-CA 3.39Å; H192-M195 WeakPolarHBondContact O-CB 3.32Å; H192-M195 PolarHBondContact O-N 3.4Å; M195-Q198 PolarHBondContact O-N 2.98Å; M195-M199 WeakPolarHBondContact O-CB 3.4Å; M195-M199 PolarHBondContact O-N 3.47Å; M195-R524 VanDerWaalsContact CE-CZ 3.41Å; M195-R524 PolarHBondContact O-NH2 3.05Å; M195-V528 HydrophobicContact CE-CG1 3.47Å; M195-V528 VanDerWaalsContact CE-CG1 3.47Å; M195-W532 HydrophobicContact CG-CZ2 4.14Å
196	V	98.8	Very high	95.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.9	-46.5	172.4	-179.1	0	0	0	0	110.5	H192 F194 Q198 M199 V200 A248 L514 C517 D518	H192-V196 WeakPolarHBondContact NE2-CG2 3.33Å; H192-V196 WeakPolarHBondContact O-CG2 3.47Å; H192-V196 PolarHBondContact O-N 3.37Å; F194-V196 PolarHBondContact O-N 2.89Å; V196-Q198 VanDerWaalsContact C-N 3.31Å; V196-Q198 PolarHBondContact O-N 3.33Å; V196-M199 PolarHBondContact O-N 3.14Å; V196-V200 PolarHBondContact O-N 3.49Å; V196-A248 HydrophobicContact CG1-CB 4Å; V196-L514 HydrophobicContact CG1-CD1 3.83Å; V196-C517 HydrophobicContact CG1-CB 4.09Å; V196-D518 HydrophobicContact CG1-CB 4.38Å
197	T	98.7	Very high	94.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.7	-36.7	176.2	-52.8	0	0	0	0	112.3	M154 A193 F194 S201 L245 L249	M154-T197 HydrophobicContact SD-CG2 3.94Å; A193-T197 WeakPolarHBondContact O-CB 3.36Å; A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.01Å; F194-T197 PolarHBondContact O-N 3.46Å; T197-S201 WeakPolarHBondContact O-CB 3.3Å; T197-S201 PolarHBondContact O-N 2.69Å; T197-S201 PolarHBondContact O-OG 3.21Å; T197-L245 HydrophobicContact CG2-CD2 3.73Å; T197-L249 HydrophobicContact CG2-CD1 4.35Å; T197-L249 WeakPolarHBondContact OG1-CA 3.45Å; T197-L249 WeakPolarHBondContact OG1-CD1 2.98Å; T197-L249 PolarHBondContact OG1-N 2.97Å
198	Q	98.2	Very high	93.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-70.6	-38.6	176.1	-167.4	-96.1	-22.2	0	0	111.9	L132 S134 M154 F194 M195 V196 S201 I202	L132-Q198 HydrophobicContact CD2-CG 4.3Å; L132-Q198 PolarHBondContact O-NE2 3.35Å; S134-Q198 PolarHBondContact O-NE2 2.87Å; M154-Q198 HydrophobicContact CE-CB 3.75Å; M154-Q198 HydrophobicContact CE-CG 3.77Å; F194-Q198 HydrophobicContact CE1-CB 4.06Å; F194-Q198 HydrophobicContact CE1-CG 4.28Å; F194-Q198 HydrophobicContact CZ-CB 4.17Å; F194-Q198 HydrophobicContact CZ-CG 4.2Å; F194-Q198 VanDerWaalsContact O-CB 3.29Å; F194-Q198 WeakPolarHBondContact O-CB 3.32Å; F194-Q198 PolarHBondContact O-N 2.86Å; M195-Q198 PolarHBondContact O-N 2.98Å; V196-Q198 VanDerWaalsContact C-N 3.31Å; V196-Q198 PolarHBondContact O-N 3.33Å; Q198-S201 WeakPolarHBondContact O-CB 3.49Å; Q198-S201 PolarHBondContact O-N 3.15Å; Q198-I202 VanDerWaalsContact NE2-CD1 3.3Å; Q198-I202 WeakPolarHBondContact O-CG1 3.49Å; Q198-I202 PolarHBondContact O-N 2.91Å
199	M	97.3	Very high	92.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.7	-40.9	174	-167.5	60.9	64.2	0	0	112.2	H135 M195 V196 S201 I202 I203 C517 I523 R524 L594	H135-M199 HydrophobicContact CB-CE 3.94Å; M195-M199 WeakPolarHBondContact O-CB 3.4Å; M195-M199 PolarHBondContact O-N 3.47Å; V196-M199 PolarHBondContact O-N 3.14Å; M199-S201 VanDerWaalsContact C-N 3.27Å; M199-S201 PolarHBondContact O-N 3.05Å; M199-I202 HydrophobicContact CE-CD1 4.1Å; M199-I202 WeakPolarHBondContact O-CB 3.44Å; M199-I202 PolarHBondContact O-N 3.23Å; M199-I202 HydrophobicContact SD-CB 4.45Å; M199-I202 HydrophobicContact SD-CD1 3.83Å; M199-I203 PolarHBondContact O-N 3.1Å; M199-C517 HydrophobicContact CB-CB 3.91Å; M199-C517 HydrophobicContact CG-CB 4.06Å; M199-I523 HydrophobicContact CE-CG2 4.48Å; M199-R524 HydrophobicContact CE-CG 4.45Å; M199-L594 HydrophobicContact SD-CD1 4.39Å; M199-L594 HydrophobicContact SD-CD2 4.37Å
200	V	95.8	Very high	90.5	Very high	3 Å²	3	14 Å²	14	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-57.1	-44.3	170.8	164.6	0	0	0	0	110.6	V196 I202 I203 I204 L244 L245 A248 C517	V196-V200 PolarHBondContact O-N 3.49Å; V200-I202 PolarHBondContact O-N 2.77Å; V200-I203 PolarHBondContact O-N 3.22Å; V200-I204 HydrophobicContact CG1-CD1 3.57Å; V200-I204 HydrophobicContact CG1-CG1 4.36Å; V200-I204 WeakPolarHBondContact O-CB 3.34Å; V200-I204 VanDerWaalsContact O-CG1 3.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.37Å; V200-I204 PolarHBondContact O-N 3.27Å; V200-L244 HydrophobicContact CG1-CB 3.75Å; V200-L245 HydrophobicContact CB-CD2 4.24Å; V200-L245 HydrophobicContact CG1-CD2 3.62Å; V200-L245 HydrophobicContact CG1-CG 4.26Å; V200-A248 HydrophobicContact CB-CB 4.34Å; V200-A248 HydrophobicContact CG2-CB 3.88Å; V200-C517 VanDerWaalsContact CA-SG 3.59Å; V200-C517 HydrophobicContact CG2-CB 3.59Å; V200-C517 VanDerWaalsContact CG2-SG 3.5Å; V200-C517 PolarHBondContact N-SG 2.97Å
201	S	93.7	Very high	88.9	Confident	7 Å²	7	14.1 Å²	14.1	5%	0.049	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-41.2	177.1	-58.7	0	0	0	0	112.6	M154 T197 Q198 M199 I205 L245	M154-S201 WeakPolarHBondContact CB-OG 3.28Å; M154-S201 WeakPolarHBondContact CG-OG 3.27Å; M154-S201 PolarHBondContact SD-OG 2.77Å; M154-S201 VanDerWaalsContact SD-OG 3.39Å; T197-S201 WeakPolarHBondContact O-CB 3.3Å; T197-S201 PolarHBondContact O-N 2.69Å; T197-S201 PolarHBondContact O-OG 3.21Å; Q198-S201 WeakPolarHBondContact O-CB 3.49Å; Q198-S201 PolarHBondContact O-N 3.15Å; M199-S201 VanDerWaalsContact C-N 3.27Å; M199-S201 PolarHBondContact O-N 3.05Å; S201-I205 WeakPolarHBondContact O-CB 3.31Å; S201-I205 WeakPolarHBondContact O-CG1 3.49Å; S201-I205 PolarHBondContact O-N 2.63Å; S201-L245 WeakPolarHBondContact OG-CD2 3.4Å
202	I	91.9	Very high	87.2	Confident	2 Å²	2	12.8 Å²	12.8	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-59.4	-51.2	173.8	-66.8	156.8	0	0	0	110.7	S134 H135 Q198 M199 V200 I204 I205 I206	S134-I202 WeakPolarHBondContact O-CD1 3.41Å; H135-I202 HydrophobicContact CB-CD1 4.31Å; Q198-I202 VanDerWaalsContact NE2-CD1 3.3Å; Q198-I202 WeakPolarHBondContact O-CG1 3.49Å; Q198-I202 PolarHBondContact O-N 2.91Å; M199-I202 HydrophobicContact CE-CD1 4.1Å; M199-I202 WeakPolarHBondContact O-CB 3.44Å; M199-I202 PolarHBondContact O-N 3.23Å; M199-I202 HydrophobicContact SD-CB 4.45Å; M199-I202 HydrophobicContact SD-CD1 3.83Å; V200-I202 PolarHBondContact O-N 2.77Å; I202-I204 PolarHBondContact O-N 3.49Å; I202-I205 PolarHBondContact O-N 3.21Å; I202-I205 VanDerWaalsContact O-N 3.13Å; I202-I206 HydrophobicContact CG2-CD1 3.6Å; I202-I206 HydrophobicContact CG2-CG1 4.22Å; I202-I206 WeakPolarHBondContact O-CG1 3.49Å; I202-I206 PolarHBondContact O-N 3.44Å
203	I	91.3	Very high	85.3	Confident	6 Å²	6	18.2 Å²	18.2	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-39.4	-175.8	-65.4	-176.4	0	0	0	111.4	M199 V200 T207 L513 V516 L591 L594	M199-I203 PolarHBondContact O-N 3.1Å; V200-I203 PolarHBondContact O-N 3.22Å; I203-T207 WeakPolarHBondContact O-CB 3.29Å; I203-T207 WeakPolarHBondContact O-CG2 3.33Å; I203-T207 PolarHBondContact O-N 2.98Å; I203-T207 VanDerWaalsContact O-N 3.07Å; I203-T207 PolarHBondContact O-OG1 3.2Å; I203-L513 HydrophobicContact CG2-CD2 3.73Å; I203-V516 HydrophobicContact CD1-CG1 4.29Å; I203-L591 HydrophobicContact CB-CD2 4.42Å; I203-L591 HydrophobicContact CD1-CD1 4.35Å; I203-L591 HydrophobicContact CG1-CD1 4.47Å; I203-L591 HydrophobicContact CG1-CD2 4.08Å; I203-L591 HydrophobicContact CG2-CD1 3.9Å; I203-L591 HydrophobicContact CG2-CD2 4.11Å; I203-L594 HydrophobicContact CD1-CD1 4.01Å; I203-L594 HydrophobicContact CG1-CD1 3.99Å
204	I	89.4	Confident	83.6	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-46.6	171.7	-71	167.5	0	0	0	110.4	L158 V200 I202 T207 I208 L241 L244 L245	L158-I204 HydrophobicContact CD1-CD1 4.25Å; L158-I204 HydrophobicContact CD1-CG2 3.92Å; L158-I204 HydrophobicContact CD2-CG2 3.75Å; V200-I204 HydrophobicContact CG1-CD1 3.57Å; V200-I204 HydrophobicContact CG1-CG1 4.36Å; V200-I204 WeakPolarHBondContact O-CB 3.34Å; V200-I204 VanDerWaalsContact O-CG1 3.27Å; V200-I204 WeakPolarHBondContact O-CG1 3.37Å; V200-I204 PolarHBondContact O-N 3.27Å; I202-I204 PolarHBondContact O-N 3.49Å; I204-T207 PolarHBondContact O-N 3.49Å; I204-T207 PolarHBondContact O-OG1 3.26Å; I204-T207 VanDerWaalsContact O-OG1 3.07Å; I204-I208 HydrophobicContact CG2-CD1 3.52Å; I204-I208 HydrophobicContact CG2-CG1 4.32Å; I204-I208 VanDerWaalsContact O-CB 3.3Å; I204-I208 WeakPolarHBondContact O-CB 3.31Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.16Å; I204-I208 PolarHBondContact O-N 3.36Å; I204-L241 HydrophobicContact CD1-CD2 3.94Å; I204-L241 HydrophobicContact CG1-CD2 3.95Å; I204-L241 HydrophobicContact CG2-CD2 3.81Å; I204-L244 HydrophobicContact CD1-CB 4.36Å; I204-L244 HydrophobicContact CD1-CD1 4.07Å; I204-L244 HydrophobicContact CG1-CD1 4.2Å; I204-L245 HydrophobicContact CD1-CG 4.46Å
205	I	84.5	Confident	81.4	Confident	31 Å²	31	25.8 Å²	25.8	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-41.3	-176.6	-72.4	171.1	0	0	0	111.8	K133 S201 I202 I209	K133-I205 HydrophobicContact CG-CD1 3.97Å; K133-I205 HydrophobicContact CG-CG2 4.44Å; S201-I205 WeakPolarHBondContact O-CB 3.31Å; S201-I205 WeakPolarHBondContact O-CG1 3.49Å; S201-I205 PolarHBondContact O-N 2.63Å; I202-I205 PolarHBondContact O-N 3.21Å; I202-I205 VanDerWaalsContact O-N 3.13Å; I205-I209 HydrophobicContact CG2-CD1 3.59Å; I205-I209 HydrophobicContact CG2-CG1 4.32Å; I205-I209 WeakPolarHBondContact O-CB 3.26Å; I205-I209 VanDerWaalsContact O-CG1 3.24Å; I205-I209 WeakPolarHBondContact O-CG1 3.47Å; I205-I209 PolarHBondContact O-N 3.21Å
206	I	82.2	Confident	79.2	Confident	36 Å²	36	28.4 Å²	28.4	19%	0.185	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-48.7	175	-68.4	171.8	0	0	0	110.5	I202 I209 I210 E590 L591	I202-I206 HydrophobicContact CG2-CD1 3.6Å; I202-I206 HydrophobicContact CG2-CG1 4.22Å; I202-I206 WeakPolarHBondContact O-CG1 3.49Å; I202-I206 PolarHBondContact O-N 3.44Å; I206-I209 PolarHBondContact O-N 3.4Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 2.99Å; I206-I210 PolarHBondContact O-N 3.31Å; I206-I210 VanDerWaalsContact O-N 3.11Å; I206-E590 HydrophobicContact CG2-CB 4.01Å; I206-L591 HydrophobicContact CB-CD2 4.28Å; I206-L591 HydrophobicContact CD1-CD2 4.14Å; I206-L591 HydrophobicContact CG2-CD2 4.02Å
207	T	77	Confident	76.9	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-40.1	-178.2	52.7	0	0	0	0	112.1	I203 I204 I211 Y235 F588	I203-T207 WeakPolarHBondContact O-CB 3.29Å; I203-T207 WeakPolarHBondContact O-CG2 3.33Å; I203-T207 PolarHBondContact O-N 2.98Å; I203-T207 VanDerWaalsContact O-N 3.07Å; I203-T207 PolarHBondContact O-OG1 3.2Å; I204-T207 PolarHBondContact O-N 3.49Å; I204-T207 PolarHBondContact O-OG1 3.26Å; I204-T207 VanDerWaalsContact O-OG1 3.07Å; T207-I211 WeakPolarHBondContact O-CB 3.36Å; T207-I211 WeakPolarHBondContact O-CG1 3.35Å; T207-I211 PolarHBondContact O-N 3.15Å; T207-Y235 WeakPolarHBondContact CB-OH 3.31Å; T207-Y235 WeakPolarHBondContact CG2-OH 3.43Å; T207-F588 HydrophobicContact CG2-CD1 3.98Å; T207-F588 HydrophobicContact CG2-CG 4.47Å
208	I	75.5	Confident	74.2	Confident	33 Å²	33	46 Å²	46	17%	0.169	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-51.7	173.1	-74.2	174.1	0	0	0	111.6	L158 I204 I210 I211 I212 L234	L158-I208 HydrophobicContact CD2-CD1 4.05Å; I204-I208 HydrophobicContact CG2-CD1 3.52Å; I204-I208 HydrophobicContact CG2-CG1 4.32Å; I204-I208 VanDerWaalsContact O-CB 3.3Å; I204-I208 WeakPolarHBondContact O-CB 3.31Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.16Å; I204-I208 PolarHBondContact O-N 3.36Å; I208-I210 VanDerWaalsContact C-N 3.28Å; I208-I210 PolarHBondContact O-N 3.48Å; I208-I211 PolarHBondContact O-N 3.14Å; I208-I212 HydrophobicContact CG2-CD1 3.52Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CD1 3.26Å; I208-I212 VanDerWaalsContact O-CG1 3.28Å; I208-I212 WeakPolarHBondContact O-CG1 3.42Å; I208-I212 PolarHBondContact O-N 3.07Å; I208-L234 HydrophobicContact CD1-CD1 4.39Å; I208-L234 HydrophobicContact CG1-CD1 4.08Å; I208-L234 HydrophobicContact CG1-CD2 3.74Å
209	I	70.3	Confident	71.5	Confident	80 Å²	80	51 Å²	51	41%	0.41	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-40.7	-178.3	-73.4	171.4	0	0	0	111.1	I205 I206 I212 M213	I205-I209 HydrophobicContact CG2-CD1 3.59Å; I205-I209 HydrophobicContact CG2-CG1 4.32Å; I205-I209 WeakPolarHBondContact O-CB 3.26Å; I205-I209 VanDerWaalsContact O-CG1 3.24Å; I205-I209 WeakPolarHBondContact O-CG1 3.47Å; I205-I209 PolarHBondContact O-N 3.21Å; I206-I209 PolarHBondContact O-N 3.4Å; I209-I212 WeakPolarHBondContact O-CB 3.29Å; I209-I212 PolarHBondContact O-N 2.95Å; I209-M213 HydrophobicContact CG2-CG 4.4Å; I209-M213 HydrophobicContact CG2-SD 3.79Å; I209-M213 WeakPolarHBondContact O-CB 3.28Å; I209-M213 VanDerWaalsContact O-CG 3.32Å; I209-M213 WeakPolarHBondContact O-CG 3.22Å; I209-M213 PolarHBondContact O-N 2.99Å
210	I	63.8	Low	69.1	Low	40 Å²	40	60.6 Å²	60.6	21%	0.205	30%	0.301	C	S	.	.	H	α-helix	trans	-72.6	-37.4	-179.5	-65.7	-69.8	0	0	0	111.6	I206 I208 I212 M213 S214 E590	I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 2.99Å; I206-I210 PolarHBondContact O-N 3.31Å; I206-I210 VanDerWaalsContact O-N 3.11Å; I208-I210 VanDerWaalsContact C-N 3.28Å; I208-I210 PolarHBondContact O-N 3.48Å; I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 2.79Å; I210-M213 PolarHBondContact O-N 2.6Å; I210-S214 WeakPolarHBondContact O-CB 3.14Å; I210-S214 PolarHBondContact O-N 3.1Å; I210-S214 PolarHBondContact O-OG 2.69Å; I210-E590 HydrophobicContact CB-CG 4.37Å; I210-E590 HydrophobicContact CD1-CG 4.08Å; I210-E590 HydrophobicContact CG1-CB 4.04Å; I210-E590 HydrophobicContact CG1-CG 3.85Å; I210-E590 HydrophobicContact CG2-CG 3.9Å
211	I	64.6	Low	66.8	Low	8 Å²	8	66.1 Å²	66.1	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-39.3	174.4	-74.7	167.9	0	0	0	110.5	T207 I208 N215 L232 L234 Y235	T207-I211 WeakPolarHBondContact O-CB 3.36Å; T207-I211 WeakPolarHBondContact O-CG1 3.35Å; T207-I211 PolarHBondContact O-N 3.15Å; I208-I211 PolarHBondContact O-N 3.14Å; I211-N215 PolarHBondContact O-N 3.12Å; I211-N215 PolarHBondContact O-ND2 2.96Å; I211-L232 HydrophobicContact CG2-CB 4.12Å; I211-L232 HydrophobicContact CG2-CD2 3.82Å; I211-L232 WeakPolarHBondContact O-CD2 3.39Å; I211-L234 HydrophobicContact CD1-CD2 3.72Å; I211-L234 HydrophobicContact CG2-CD2 4.39Å; I211-Y235 HydrophobicContact CD1-CD1 4.26Å; I211-Y235 HydrophobicContact CD1-CE1 3.86Å
212	I	62.5	Low	64.4	Low	10 Å²	10	70.7 Å²	70.7	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-55.6	170.1	-67.8	157.9	0	0	0	110.6	I208 I209 I210 S214 N215 L216 I227 L232	I208-I212 HydrophobicContact CG2-CD1 3.52Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CD1 3.26Å; I208-I212 VanDerWaalsContact O-CG1 3.28Å; I208-I212 WeakPolarHBondContact O-CG1 3.42Å; I208-I212 PolarHBondContact O-N 3.07Å; I209-I212 WeakPolarHBondContact O-CB 3.29Å; I209-I212 PolarHBondContact O-N 2.95Å; I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 2.79Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.01Å; I212-N215 PolarHBondContact O-N 3.2Å; I212-L216 HydrophobicContact CG2-CD1 3.62Å; I212-L216 WeakPolarHBondContact O-CB 3.42Å; I212-L216 PolarHBondContact O-N 2.84Å; I212-I227 HydrophobicContact CD1-CD1 3.93Å; I212-I227 HydrophobicContact CD1-CG1 3.74Å; I212-I227 HydrophobicContact CG1-CG1 4.5Å; I212-L232 HydrophobicContact CG1-CD1 4.07Å; I212-L232 HydrophobicContact CG1-CD2 4.46Å
213	M	60	Low	62.1	Low	114 Å²	114	75.1 Å²	75.1	56%	0.562	39%	0.385	S	S	*	.	H	α-helix	trans	-63.9	-34.7	-176.9	-74	177.3	60.3	0	0	113.7	I209 I210 L216	I209-M213 HydrophobicContact CG2-CG 4.4Å; I209-M213 HydrophobicContact CG2-SD 3.79Å; I209-M213 WeakPolarHBondContact O-CB 3.28Å; I209-M213 VanDerWaalsContact O-CG 3.32Å; I209-M213 WeakPolarHBondContact O-CG 3.22Å; I209-M213 PolarHBondContact O-N 2.99Å; I210-M213 PolarHBondContact O-N 2.6Å; M213-L216 CarbonylContact O-C 3.41Å; M213-L216 PolarHBondContact O-N 3.27Å
214	S	61.8	Low	59.9	Low	55 Å²	55	83.4 Å²	83.4	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-70.5	-35	-179.4	-59.3	0	0	0	0	112.2	I210 I212	I210-S214 WeakPolarHBondContact O-CB 3.14Å; I210-S214 PolarHBondContact O-N 3.1Å; I210-S214 PolarHBondContact O-OG 2.69Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.01Å
215	N	53.9	Low	57.6	Low	105 Å²	105	87.9 Å²	87.9	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-80.3	-29.5	173.4	-74.2	-82.5	0	0	0	112	I211 I212 K217 L232	I211-N215 PolarHBondContact O-N 3.12Å; I211-N215 PolarHBondContact O-ND2 2.96Å; I212-N215 PolarHBondContact O-N 3.2Å; N215-K217 PolarHBondContact O-N 3.41Å; N215-L232 HydrophobicContact CB-CD2 3.86Å
216	L	51.1	Low	55.6	Low	54 Å²	54	88 Å²	88	28%	0.283	45%	0.449	S	S	.	.			trans	-93	76.3	177.3	-76.4	156.4	0	0	0	112.8	I212 M213 F218 I226	I212-L216 HydrophobicContact CG2-CD1 3.62Å; I212-L216 WeakPolarHBondContact O-CB 3.42Å; I212-L216 PolarHBondContact O-N 2.84Å; M213-L216 CarbonylContact O-C 3.41Å; M213-L216 PolarHBondContact O-N 3.27Å; L216-F218 PolarHBondContact O-N 2.67Å; L216-I226 HydrophobicContact CD1-CG2 4.11Å; L216-I226 HydrophobicContact CD2-CD1 4.23Å
217	K	50.9	Low	53.9	Low	204 Å²	204	90.2 Å²	90.2	89%	0.887	46%	0.46	S	S	*	.			trans	-65.6	20.6	155.6	-84	-169.5	174.3	-178.7	0	113.7	N215	N215-K217 PolarHBondContact O-N 3.41Å
218	F	42.4	Very low	52.1	Low	165 Å²	165	96.9 Å²	96.9	72%	0.724	49%	0.488	S	S	*	.	S	Bend	trans	-130.9	109.5	-175.7	-113.1	-99.9	0	0	0	111.8	L216	L216-F218 PolarHBondContact O-N 2.67Å
219	T	42.6	Very low	50	Low	106 Å²	106	103.2 Å²	103.2	65%	0.65	52%	0.519	S	S	*	.			trans	32.2	117.4	157.2	48.7	0	0	0	0	119.6	S221 L222	T219-S221 PolarHBondContact O-N 3.18Å; T219-L222 PolarHBondContact O-N 3.01Å
220	K	45.7	Very low	48.2	Very low	202 Å²	202	103 Å²	103	88%	0.878	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-8.6	179.1	-69	-174	172.3	-177.3	0	118
221	S	47.2	Very low	46.9	Very low	118 Å²	118	108.6 Å²	108.6	83%	0.825	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-29.1	-174.2	-175.7	0	0	0	0	114.1	T219	T219-S221 PolarHBondContact O-N 3.18Å
222	L	43.9	Very low	45.5	Very low	104 Å²	104	109.3 Å²	109.3	55%	0.545	56%	0.555	S	S	.	*	S	Bend	trans	-94	7	-174.5	-158.2	57.3	0	0	0	113.7	T219 Y224 I226	T219-L222 PolarHBondContact O-N 3.01Å; L222-Y224 PolarHBondContact O-N 3.16Å; L222-I226 HydrophobicContact CB-CD1 4.35Å; L222-I226 HydrophobicContact CD2-CD1 3.65Å; L222-I226 HydrophobicContact CD2-CG1 4.46Å; L222-I226 HydrophobicContact CG-CD1 3.74Å; L222-I226 HydrophobicContact CG-CG1 4.22Å
223	M	44.6	Very low	44.7	Very low	95 Å²	95	113 Å²	113	47%	0.468	58%	0.579	S	S	.	*	H	α-helix	trans	-61.2	-36.4	-164.2	-166.9	173.7	76.2	0	0	114.5	I227	M223-I227 WeakPolarHBondContact O-CD1 3.37Å; M223-I227 WeakPolarHBondContact O-CG1 3.38Å
224	Y	44.9	Very low	44.7	Very low	180 Å²	180	110.2 Å²	110.2	71%	0.706	57%	0.567	S	S	*	*	H	α-helix	trans	-85.8	-30.6	-170.5	-132.1	-92.8	0	0	0	114.5	L222	L222-Y224 PolarHBondContact O-N 3.16Å
225	C	40.4	Very low	45.3	Very low	97 Å²	97	108.3 Å²	108.3	66%	0.655	55%	0.551	S	S	*	*	H	α-helix	trans	-80.9	-26.6	-178.9	-64.5	0	0	0	0	112.9
226	I	42.5	Very low	46.8	Very low	34 Å²	34	103.7 Å²	103.7	17%	0.174	53%	0.527	C	S	.	.	H	α-helix	trans	-73.8	-30.2	-178.6	-84.8	175.5	0	0	0	112.5	L216 L222 K228 M229 V230	L216-I226 HydrophobicContact CD1-CG2 4.11Å; L216-I226 HydrophobicContact CD2-CD1 4.23Å; L222-I226 HydrophobicContact CB-CD1 4.35Å; L222-I226 HydrophobicContact CD2-CD1 3.65Å; L222-I226 HydrophobicContact CD2-CG1 4.46Å; L222-I226 HydrophobicContact CG-CD1 3.74Å; L222-I226 HydrophobicContact CG-CG1 4.22Å; I226-K228 PolarHBondContact O-N 3.45Å; I226-M229 PolarHBondContact O-N 3.34Å; I226-V230 HydrophobicContact CG2-CB 4.07Å; I226-V230 HydrophobicContact CG2-CG2 3.7Å; I226-V230 PolarHBondContact O-N 2.87Å
227	I	47	Very low	48.6	Very low	82 Å²	82	103.6 Å²	103.6	42%	0.421	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.8	-178.2	-65	172.7	0	0	0	112.5	I212 M223	I212-I227 HydrophobicContact CD1-CD1 3.93Å; I212-I227 HydrophobicContact CD1-CG1 3.74Å; I212-I227 HydrophobicContact CG1-CG1 4.5Å; M223-I227 WeakPolarHBondContact O-CD1 3.37Å; M223-I227 WeakPolarHBondContact O-CG1 3.38Å
228	K	38.5	Very low	50.6	Low	149 Å²	149	95.6 Å²	95.6	65%	0.648	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.2	174.5	-75.3	-148.5	168.3	-142.8	0	114.9	N159 I226	N159-K228 PolarHBondContact OD1-NZ 3.44Å; I226-K228 PolarHBondContact O-N 3.45Å
229	M	32.6	Very low	53.1	Low	165 Å²	165	87.9 Å²	87.9	81%	0.813	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-25.5	-168.5	-75.7	-72.6	159.7	0	0	115	I226	I226-M229 PolarHBondContact O-N 3.34Å
230	V	31.7	Very low	55.6	Low	75 Å²	75	83.2 Å²	83.2	46%	0.455	44%	0.438	S	S	.	.			trans	-97.5	117.6	176.6	177	0	0	0	0	109.3	I226 L232	I226-V230 HydrophobicContact CG2-CB 4.07Å; I226-V230 HydrophobicContact CG2-CG2 3.7Å; I226-V230 PolarHBondContact O-N 2.87Å; V230-L232 HydrophobicContact CB-CD1 3.96Å; V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.78Å; V230-L232 PolarHBondContact O-N 2.99Å
231	N	37	Very low	57.9	Low	159 Å²	159	74.2 Å²	74.2	85%	0.85	40%	0.399	S	S	*	.			trans	-73.6	74.7	167.7	-171.1	18.2	0	0	0	109.1
232	L	34.4	Very low	60.3	Low	22 Å²	22	68.6 Å²	68.6	12%	0.115	36%	0.36	C	S	.	.			trans	-64.3	133.7	171.2	-71.8	106.3	0	0	0	108.1	I211 I212 N215 V230 L234	I211-L232 HydrophobicContact CG2-CB 4.12Å; I211-L232 HydrophobicContact CG2-CD2 3.82Å; I211-L232 WeakPolarHBondContact O-CD2 3.39Å; I212-L232 HydrophobicContact CG1-CD1 4.07Å; I212-L232 HydrophobicContact CG1-CD2 4.46Å; N215-L232 HydrophobicContact CB-CD2 3.86Å; V230-L232 HydrophobicContact CB-CD1 3.96Å; V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.78Å; V230-L232 PolarHBondContact O-N 2.99Å; L232-L234 PolarHBondContact O-N 3.23Å
233	P	46.1	Very low	62.9	Low	87 Å²	87	63.6 Å²	63.6	57%	0.565	33%	0.334	S	S	*	.			trans	-72.6	78	176.9	30.7	-34.9	0	0	0	110.2	I496	P233-I496 WeakPolarHBondContact O-CD1 3.5Å
234	L	59.9	Low	65.4	Low	57 Å²	57	59.2 Å²	59.2	30%	0.298	31%	0.312	S	S	.	.			trans	-58.8	138.5	159.1	-71.5	161.7	0	0	0	108	I208 I211 L232 L236	I208-L234 HydrophobicContact CD1-CD1 4.39Å; I208-L234 HydrophobicContact CG1-CD1 4.08Å; I208-L234 HydrophobicContact CG1-CD2 3.74Å; I211-L234 HydrophobicContact CD1-CD2 3.72Å; I211-L234 HydrophobicContact CG2-CD2 4.39Å; L232-L234 PolarHBondContact O-N 3.23Å; L234-L236 VanDerWaalsContact CB-O 3.32Å; L234-L236 WeakPolarHBondContact CB-O 3.44Å; L234-L236 PolarHBondContact O-N 2.7Å
235	Y	74	Confident	68	Low	14 Å²	14	50.6 Å²	50.6	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-71.2	-0.4	170.6	54.6	-91.3	0	0	0	112.6	T207 I211 L495 L509 F588	T207-Y235 WeakPolarHBondContact CB-OH 3.31Å; T207-Y235 WeakPolarHBondContact CG2-OH 3.43Å; I211-Y235 HydrophobicContact CD1-CD1 4.26Å; I211-Y235 HydrophobicContact CD1-CE1 3.86Å; Y235-L495 HydrophobicContact CD1-CD2 4.12Å; Y235-L495 HydrophobicContact CD2-CD2 4.29Å; Y235-L495 HydrophobicContact CE1-CD2 4.48Å; Y235-L495 HydrophobicContact CG-CD2 4.05Å; Y235-L509 HydrophobicContact CD2-CD2 3.57Å; Y235-L509 HydrophobicContact CE2-CD2 3.68Å; Y235-F588 AromaticContact CE1-CE1 3.78Å; Y235-F588 HydrophobicContact CE1-CE1 3.78Å; Y235-F588 HydrophobicContact CE2-CE1 4.14Å; Y235-F588 HydrophobicContact CE2-CZ 4.14Å; Y235-F588 AromaticContact CZ-CE1 3.46Å; Y235-F588 VanDerWaalsContact CZ-CE1 3.46Å; Y235-F588 AromaticContact CZ-CZ 3.93Å; Y235-F588 VanDerWaalsContact OH-CE1 3.23Å; Y235-F588 WeakPolarHBondContact OH-CE1 3.4Å
236	L	85.4	Confident	70.7	Confident	9 Å²	9	46 Å²	46	5%	0.047	25%	0.247	C	C	.	.	S	Bend	trans	-118.5	125.8	173.5	-54.9	-178.7	0	0	0	108.6	L234 D240 L241 L244 L506 L510	L234-L236 VanDerWaalsContact CB-O 3.32Å; L234-L236 WeakPolarHBondContact CB-O 3.44Å; L234-L236 PolarHBondContact O-N 2.7Å; L236-D240 HydrophobicContact CB-CB 3.91Å; L236-D240 HydrophobicContact CD2-CB 4.09Å; L236-L241 HydrophobicContact CB-CD2 3.97Å; L236-L241 HydrophobicContact CB-CG 4.41Å; L236-L241 HydrophobicContact CD1-CD2 3.74Å; L236-L244 HydrophobicContact CD1-CD1 3.81Å; L236-L506 HydrophobicContact CD2-CD1 3.71Å; L236-L510 HydrophobicContact CD2-CD2 3.94Å
237	S	90	Very high	73.4	Confident	52 Å²	52	44.4 Å²	44.4	36%	0.364	24%	0.239	S	C	.	.			trans	-74.2	171.3	167.4	70.8	0	0	0	0	111.5	V239 D240 L241	S237-V239 PolarHBondContact O-N 3.41Å; S237-V239 PolarHBondContact OG-N 3.17Å; S237-D240 VanDerWaalsContact CB-OD2 3.27Å; S237-D240 WeakPolarHBondContact CB-OD2 3.43Å; S237-D240 PolarHBondContact N-OD2 2.91Å; S237-D240 PolarHBondContact O-N 3Å; S237-D240 PolarHBondContact OG-N 3.45Å; S237-D240 PolarHBondContact OG-OD2 2.86Å; S237-L241 WeakPolarHBondContact O-CG 3.38Å; S237-L241 PolarHBondContact O-N 3.27Å
238	S	92	Very high	75.9	Confident	35 Å²	35	40.5 Å²	40.5	25%	0.245	22%	0.219	C	C	.	.	H	α-helix	trans	-55.1	-34.4	169.3	49.2	0	0	0	0	112.5	L242	S238-L242 WeakPolarHBondContact O-CB 3.25Å; S238-L242 PolarHBondContact O-N 3.25Å
239	V	95.3	Very high	78.8	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-33.5	176.2	-174.7	0	0	0	0	111.3	S237 L242 I243 L304 E308 F312	S237-V239 PolarHBondContact O-N 3.41Å; S237-V239 PolarHBondContact OG-N 3.17Å; V239-L242 WeakPolarHBondContact O-CB 3.21Å; V239-L242 PolarHBondContact O-N 2.98Å; V239-I243 HydrophobicContact CG1-CD1 4.22Å; V239-I243 WeakPolarHBondContact O-CD1 3.36Å; V239-I243 WeakPolarHBondContact O-CG1 3.44Å; V239-I243 PolarHBondContact O-N 3.27Å; V239-L304 HydrophobicContact CG1-CD1 4.27Å; V239-L304 HydrophobicContact CG2-CD2 4.02Å; V239-E308 HydrophobicContact CG1-CB 4.43Å; V239-E308 HydrophobicContact CG2-CB 4.18Å; V239-E308 HydrophobicContact CG2-CG 4.05Å; V239-F312 HydrophobicContact CG1-CB 4.28Å
240	D	94.2	Very high	81.9	Confident	7 Å²	7	25.5 Å²	25.5	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-73.3	-36.9	175.9	-58.9	-60.3	0	0	0	112.5	L236 S237 L242 I243 L244 H311 L510	L236-D240 HydrophobicContact CB-CB 3.91Å; L236-D240 HydrophobicContact CD2-CB 4.09Å; S237-D240 VanDerWaalsContact CB-OD2 3.27Å; S237-D240 WeakPolarHBondContact CB-OD2 3.43Å; S237-D240 PolarHBondContact N-OD2 2.91Å; S237-D240 PolarHBondContact O-N 3Å; S237-D240 PolarHBondContact OG-N 3.45Å; S237-D240 PolarHBondContact OG-OD2 2.86Å; D240-L242 VanDerWaalsContact C-N 3.3Å; D240-I243 WeakPolarHBondContact O-CB 3.37Å; D240-I243 PolarHBondContact O-N 2.72Å; D240-L244 WeakPolarHBondContact O-CG 3.3Å; D240-L244 PolarHBondContact O-N 2.9Å; D240-H311 IonicContact OD1-CD2 3.75Å; D240-H311 IonicContact OD1-CE1 3.25Å; D240-H311 IonicContact OD1-NE2 3.11Å; D240-H311 PolarHBondContact OD1-NE2 2.52Å; D240-L510 HydrophobicContact CB-CD2 4.4Å
241	L	94.9	Very high	85.1	Confident	13 Å²	13	22 Å²	22	7%	0.068	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-39.1	169.2	-59.7	-178.3	0	0	0	111.3	L160 I204 L236 S237 L244 L245	L160-L241 HydrophobicContact CD2-CB 3.98Å; I204-L241 HydrophobicContact CD1-CD2 3.94Å; I204-L241 HydrophobicContact CG1-CD2 3.95Å; I204-L241 HydrophobicContact CG2-CD2 3.81Å; L236-L241 HydrophobicContact CB-CD2 3.97Å; L236-L241 HydrophobicContact CB-CG 4.41Å; L236-L241 HydrophobicContact CD1-CD2 3.74Å; S237-L241 WeakPolarHBondContact O-CG 3.38Å; S237-L241 PolarHBondContact O-N 3.27Å; L241-L244 PolarHBondContact O-N 3.38Å; L241-L245 PolarHBondContact O-N 3.11Å; L241-L245 VanDerWaalsContact O-N 3.11Å
242	L	97.4	Very high	88.1	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-41.2	173.7	-173.5	66.6	0	0	0	112.1	F155 L160 C164 F166 S238 V239 D240 F246 I300 I301 L304 F312	F155-L242 HydrophobicContact CD1-CD1 4.2Å; F155-L242 HydrophobicContact CE1-CD1 3.8Å; L160-L242 HydrophobicContact CD1-CB 4.39Å; L160-L242 HydrophobicContact CD1-CD1 4.17Å; C164-L242 HydrophobicContact CB-CD2 3.95Å; F166-L242 HydrophobicContact CE1-CD1 3.83Å; F166-L242 HydrophobicContact CE1-CD2 4.21Å; F166-L242 HydrophobicContact CZ-CD1 4.05Å; S238-L242 WeakPolarHBondContact O-CB 3.25Å; S238-L242 PolarHBondContact O-N 3.25Å; V239-L242 WeakPolarHBondContact O-CB 3.21Å; V239-L242 PolarHBondContact O-N 2.98Å; D240-L242 VanDerWaalsContact C-N 3.3Å; L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.44Å; L242-I300 HydrophobicContact CD1-CD1 3.91Å; L242-I301 HydrophobicContact CD2-CG2 4.41Å; L242-L304 HydrophobicContact CD2-CD1 4.39Å; L242-F312 HydrophobicContact CD2-CD2 4.36Å; L242-F312 HydrophobicContact CD2-CE2 4.24Å; L242-F312 HydrophobicContact CG-CD2 4.45Å; L242-F312 HydrophobicContact CG-CE2 4.05Å
243	I	98.1	Very high	91.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-48.7	173.2	-74.5	154.6	0	0	0	110.3	V239 D240 S247 F312 S315 V316 L510	V239-I243 HydrophobicContact CG1-CD1 4.22Å; V239-I243 WeakPolarHBondContact O-CD1 3.36Å; V239-I243 WeakPolarHBondContact O-CG1 3.44Å; V239-I243 PolarHBondContact O-N 3.27Å; D240-I243 WeakPolarHBondContact O-CB 3.37Å; D240-I243 PolarHBondContact O-N 2.72Å; I243-S247 VanDerWaalsContact O-CB 3.27Å; I243-S247 WeakPolarHBondContact O-CB 3.29Å; I243-S247 PolarHBondContact O-N 2.87Å; I243-S247 PolarHBondContact O-OG 3.16Å; I243-F312 HydrophobicContact CG1-CB 4.4Å; I243-F312 HydrophobicContact CG1-CD2 3.75Å; I243-F312 HydrophobicContact CG1-CE2 4.42Å; I243-F312 HydrophobicContact CG1-CG 4.35Å; I243-S315 VanDerWaalsContact CD1-CB 3.44Å; I243-V316 HydrophobicContact CB-CG2 4.41Å; I243-V316 HydrophobicContact CG1-CG2 4.26Å; I243-V316 HydrophobicContact CG2-CG2 4.14Å; I243-L510 HydrophobicContact CG2-CD1 4.35Å
244	L	97.5	Very high	93.6	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-53.3	-178.3	-75.9	174.5	0	0	0	111.8	V200 I204 L236 D240 L241 S247 A248 L510 L513	V200-L244 HydrophobicContact CG1-CB 3.75Å; I204-L244 HydrophobicContact CD1-CB 4.36Å; I204-L244 HydrophobicContact CD1-CD1 4.07Å; I204-L244 HydrophobicContact CG1-CD1 4.2Å; L236-L244 HydrophobicContact CD1-CD1 3.81Å; D240-L244 WeakPolarHBondContact O-CG 3.3Å; D240-L244 PolarHBondContact O-N 2.9Å; L241-L244 PolarHBondContact O-N 3.38Å; L244-S247 PolarHBondContact O-N 3.18Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 3.46Å; L244-L510 HydrophobicContact CD1-CD2 3.93Å; L244-L510 HydrophobicContact CD2-CB 4.4Å; L244-L510 HydrophobicContact CD2-CD2 3.62Å; L244-L510 HydrophobicContact CG-CD2 3.57Å; L244-L513 HydrophobicContact CD1-CD1 4.35Å; L244-L513 HydrophobicContact CD2-CB 4.15Å
245	L	98.4	Very high	95.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-70.5	-33.4	-178.2	-69.4	-180	0	0	0	113.2	F155 L158 L160 T197 V200 S201 I204 L241 L249	F155-L245 HydrophobicContact CD2-CB 4.38Å; F155-L245 HydrophobicContact CD2-CD1 3.97Å; F155-L245 HydrophobicContact CE1-CB 4.12Å; F155-L245 HydrophobicContact CE2-CB 3.65Å; F155-L245 HydrophobicContact CE2-CD1 4.08Å; F155-L245 HydrophobicContact CE2-CG 4.41Å; F155-L245 HydrophobicContact CG-CD1 4.26Å; F155-L245 HydrophobicContact CZ-CB 3.49Å; F155-L245 VanDerWaalsContact CZ-CB 3.49Å; F155-L245 HydrophobicContact CZ-CD1 4.45Å; L158-L245 HydrophobicContact CD1-CD1 3.73Å; L160-L245 HydrophobicContact CD1-CD1 4.01Å; T197-L245 HydrophobicContact CG2-CD2 3.73Å; V200-L245 HydrophobicContact CB-CD2 4.24Å; V200-L245 HydrophobicContact CG1-CD2 3.62Å; V200-L245 HydrophobicContact CG1-CG 4.26Å; S201-L245 WeakPolarHBondContact OG-CD2 3.4Å; I204-L245 HydrophobicContact CD1-CG 4.46Å; L241-L245 PolarHBondContact O-N 3.11Å; L241-L245 VanDerWaalsContact O-N 3.11Å; L245-L249 PolarHBondContact O-N 3.24Å
246	F	98.8	Very high	96.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64	-49	172.6	-178.3	-87.3	0	0	0	111	W174 L242 L249 S250 A288 I292 I300 F312 V316	W174-F246 AromaticContact CE2-CD2 3.66Å; W174-F246 AromaticContact CE2-CE2 3.59Å; W174-F246 AromaticContact CH2-CD2 3.97Å; W174-F246 HydrophobicContact CH2-CD2 3.97Å; W174-F246 AromaticContact CZ2-CD2 3.27Å; W174-F246 HydrophobicContact CZ2-CD2 3.27Å; W174-F246 AromaticContact CZ2-CE2 3.59Å; W174-F246 HydrophobicContact CZ2-CE2 3.59Å; W174-F246 HydrophobicContact CZ2-CG 4.06Å; W174-F246 AromaticContact NE1-CD2 3.98Å; W174-F246 AromaticContact NE1-CE2 3.4Å; L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.44Å; F246-L249 PolarHBondContact O-N 2.9Å; F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 3.37Å; F246-S250 VanDerWaalsContact O-N 3.16Å; F246-S250 PolarHBondContact O-OG 3.31Å; F246-A288 HydrophobicContact CE1-CB 3.84Å; F246-A288 HydrophobicContact CZ-CB 3.99Å; F246-I292 HydrophobicContact CE2-CD1 4.11Å; F246-I292 HydrophobicContact CE2-CG2 3.87Å; F246-I292 HydrophobicContact CZ-CD1 3.9Å; F246-I292 HydrophobicContact CZ-CG2 4.3Å; F246-I300 HydrophobicContact CD2-CD1 3.83Å; F246-I300 HydrophobicContact CD2-CG1 4.39Å; F246-I300 HydrophobicContact CE2-CD1 4.47Å; F246-F312 HydrophobicContact CB-CE2 4.04Å; F246-F312 HydrophobicContact CB-CZ 4.02Å; F246-F312 HydrophobicContact CD1-CE1 4.42Å; F246-F312 HydrophobicContact CD1-CE2 4.45Å; F246-F312 AromaticContact CD1-CZ 3.68Å; F246-F312 HydrophobicContact CD1-CZ 3.68Å; F246-F312 AromaticContact CD2-CZ 3.83Å; F246-F312 HydrophobicContact CD2-CZ 3.83Å; F246-F312 HydrophobicContact CE1-CE1 4.44Å; F246-F312 HydrophobicContact CE1-CZ 4.07Å; F246-F312 HydrophobicContact CE2-CZ 4.17Å; F246-F312 HydrophobicContact CG-CE2 4.11Å; F246-F312 AromaticContact CG-CZ 3.56Å; F246-F312 HydrophobicContact CG-CZ 3.56Å; F246-F312 HydrophobicContact CZ-CZ 4.29Å; F246-V316 HydrophobicContact CD1-CB 4.44Å; F246-V316 HydrophobicContact CD1-CG1 3.69Å; F246-V316 HydrophobicContact CD1-CG2 3.81Å; F246-V316 HydrophobicContact CE1-CG1 3.68Å; F246-V316 HydrophobicContact CE1-CG2 4.44Å
247	S	98.9	Very high	96.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-44.5	-179.5	-51.8	0	0	0	0	110.8	I243 L244 L249 S250 H251	I243-S247 VanDerWaalsContact O-CB 3.27Å; I243-S247 WeakPolarHBondContact O-CB 3.29Å; I243-S247 PolarHBondContact O-N 2.87Å; I243-S247 PolarHBondContact O-OG 3.16Å; L244-S247 PolarHBondContact O-N 3.18Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-L249 PolarHBondContact O-N 3.43Å; S247-S250 CarbonylContact O-C 3.6Å; S247-S250 PolarHBondContact O-N 2.9Å; S247-H251 WeakPolarHBondContact O-CB 3.47Å; S247-H251 PolarHBondContact O-N 2.63Å
248	A	98.8	Very high	97.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.2	-41.5	178.3	0	0	0	0	0	113.6	V196 V200 L244 S250 H251 L514	V196-A248 HydrophobicContact CG1-CB 4Å; V200-A248 HydrophobicContact CB-CB 4.34Å; V200-A248 HydrophobicContact CG2-CB 3.88Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 3.46Å; A248-S250 VanDerWaalsContact C-N 3.27Å; A248-S250 PolarHBondContact O-N 3.21Å; A248-H251 PolarHBondContact O-CE1 3.41Å; A248-H251 PolarHBondContact O-ND1 2.92Å; A248-L514 HydrophobicContact CB-CD1 4.03Å
249	L	98.9	Very high	97.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-79.5	-9.9	177.3	-157.4	74.7	0	0	0	113.2	V151 W174 I175 T178 Y182 F190 T197 L245 F246 S247	V151-L249 HydrophobicContact CG1-CD1 3.93Å; V151-L249 HydrophobicContact CG1-CD2 3.79Å; V151-L249 HydrophobicContact CG1-CG 4.48Å; V151-L249 HydrophobicContact CG2-CD1 3.84Å; W174-L249 HydrophobicContact CE3-CD2 4.47Å; W174-L249 HydrophobicContact CH2-CB 3.91Å; W174-L249 HydrophobicContact CH2-CD2 3.45Å; W174-L249 VanDerWaalsContact CH2-CD2 3.45Å; W174-L249 HydrophobicContact CH2-CG 4.3Å; W174-L249 HydrophobicContact CZ2-CB 4.5Å; W174-L249 HydrophobicContact CZ2-CD2 4.16Å; W174-L249 HydrophobicContact CZ3-CD2 3.63Å; I175-L249 HydrophobicContact CG1-CD2 4.25Å; I175-L249 HydrophobicContact CG2-CD2 4.27Å; T178-L249 HydrophobicContact CG2-CD2 4.07Å; T178-L249 HydrophobicContact CG2-CG 4.02Å; T178-L249 WeakPolarHBondContact CG2-O 3.39Å; Y182-L249 WeakPolarHBondContact CE2-O 3.39Å; Y182-L249 PolarHBondContact OH-O 3.15Å; F190-L249 HydrophobicContact CE2-CD1 4.07Å; T197-L249 HydrophobicContact CG2-CD1 4.35Å; T197-L249 WeakPolarHBondContact OG1-CA 3.45Å; T197-L249 WeakPolarHBondContact OG1-CD1 2.98Å; T197-L249 PolarHBondContact OG1-N 2.97Å; L245-L249 PolarHBondContact O-N 3.24Å; F246-L249 PolarHBondContact O-N 2.9Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-L249 PolarHBondContact O-N 3.43Å
250	S	98.9	Very high	97.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-119.7	-8.9	-169.6	-52.6	0	0	0	0	115.3	F246 S247 A248 D252 L253	F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 3.37Å; F246-S250 VanDerWaalsContact O-N 3.16Å; F246-S250 PolarHBondContact O-OG 3.31Å; S247-S250 CarbonylContact O-C 3.6Å; S247-S250 PolarHBondContact O-N 2.9Å; A248-S250 VanDerWaalsContact C-N 3.27Å; A248-S250 PolarHBondContact O-N 3.21Å; S250-D252 PolarHBondContact O-N 3.11Å; S250-L253 WeakPolarHBondContact O-CG 3.49Å; S250-L253 PolarHBondContact O-N 3.46Å
251	H	98.8	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.8	-167.1	68.7	-70.4	0	0	0	115.2	H192 S247 A248 H284 I320 T323	H192-H251 AromaticContact CD2-NE2 3.85Å; S247-H251 WeakPolarHBondContact O-CB 3.47Å; S247-H251 PolarHBondContact O-N 2.63Å; A248-H251 PolarHBondContact O-CE1 3.41Å; A248-H251 PolarHBondContact O-ND1 2.92Å; H251-H284 WeakPolarHBondContact O-CB 3.38Å; H251-H284 PolarHBondContact O-CD2 3.12Å; H251-I320 HydrophobicContact CB-CG1 4.37Å; H251-T323 HydrophobicContact CB-CG2 3.98Å
252	D	98.8	Very high	97.8	Very high	11 Å²	11	9 Å²	9	6%	0.059	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	19.5	-177.4	-80.3	-1.1	0	0	0	113.1	Y182 H188 H192 S250 D254 H255	Y182-D252 HydrophobicContact CE1-CB 3.65Å; Y182-D252 WeakPolarHBondContact CE1-O 3.18Å; Y182-D252 PolarHBondContact OH-N 2.72Å; H188-D252 IonicContact CD2-OD2 3.58Å; H188-D252 PolarHBondContact CD2-OD2 3.1Å; H188-D252 VanDerWaalsContact CD2-OD2 3.25Å; H188-D252 IonicContact CG-OD2 3.58Å; H192-D252 IonicContact CD2-OD2 2.69Å; H192-D252 PolarHBondContact CD2-OD2 3.03Å; S250-D252 PolarHBondContact O-N 3.11Å; D252-D254 PolarHBondContact O-N 3.4Å; D252-H255 HydrophobicContact CB-CB 4.47Å; D252-H255 WeakPolarHBondContact O-CB 3.41Å; D252-H255 PolarHBondContact O-N 3.09Å
253	L	98.5	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	122.1	-175.4	-87.9	172.6	0	0	0	112.4	T178 R181 Y182 S250 H284 T287 A288 L291	T178-L253 HydrophobicContact CG2-CD1 4.28Å; T178-L253 HydrophobicContact CG2-CD2 3.79Å; T178-L253 HydrophobicContact CG2-CG 4.33Å; T178-L253 WeakPolarHBondContact O-CD2 3.46Å; R181-L253 HydrophobicContact CB-CD2 3.62Å; Y182-L253 HydrophobicContact CD2-CD2 3.92Å; Y182-L253 HydrophobicContact CE2-CD2 3.7Å; Y182-L253 HydrophobicContact CE2-CG 4.2Å; S250-L253 WeakPolarHBondContact O-CG 3.49Å; S250-L253 PolarHBondContact O-N 3.46Å; L253-H284 HydrophobicContact CB-CB 4.49Å; L253-H284 WeakPolarHBondContact O-CA 3.09Å; L253-H284 PolarHBondContact O-ND1 2.93Å; L253-T287 HydrophobicContact CB-CG2 3.76Å; L253-T287 HydrophobicContact CD1-CG2 4.18Å; L253-T287 HydrophobicContact CG-CG2 4.39Å; L253-A288 HydrophobicContact CD1-CB 3.85Å; L253-L291 HydrophobicContact CD1-CD1 4.04Å; L253-L291 HydrophobicContact CD2-CD1 4.43Å
254	D	97.3	Very high	97.7	Very high	14 Å²	14	12.1 Å²	12.1	8%	0.075	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	30.4	-176.5	-161.1	27.5	0	0	0	114.2	K103 R181 N183 D252 H283	K103-D254 IonicContact NZ-OD1 3.23Å; K103-D254 PolarHBondContact NZ-OD1 3Å; R181-D254 IonicContact NH1-OD2 2.84Å; R181-D254 VanDerWaalsContact O-CA 3.26Å; R181-D254 WeakPolarHBondContact O-CA 3.5Å; R181-D254 PolarHBondContact O-N 2.86Å; N183-D254 VanDerWaalsContact ND2-C 3.32Å; N183-D254 PolarHBondContact ND2-O 3.32Å; N183-D254 PolarHBondContact ND2-OD1 3.47Å; D252-D254 PolarHBondContact O-N 3.4Å; D254-H283 IonicContact OD2-CD2 3.85Å; D254-H283 IonicContact OD2-CE1 3.83Å; D254-H283 IonicContact OD2-NE2 2.76Å; D254-H283 PolarHBondContact OD2-NE2 3.17Å
255	H	97.5	Very high	97.6	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.023	9%	0.088	C	C	.	.			trans	-58.2	129.5	171.4	-170.8	-95	0	0	0	112.1	N183 H188 D252 G257 H284 E539	N183-H255 WeakPolarHBondContact CB-O 3.25Å; N183-H255 PolarHBondContact ND2-O 3.35Å; H188-H255 HydrophobicContact CB-CB 3.88Å; H188-H255 VanDerWaalsContact CB-ND1 3.32Å; H188-H255 WeakPolarHBondContact CB-ND1 3.37Å; H188-H255 AromaticContact CE1-CE1 3.91Å; H188-H255 AromaticContact CG-CE1 3.67Å; H188-H255 AromaticContact CG-CG 3.99Å; H188-H255 AromaticContact CG-ND1 3.57Å; H188-H255 AromaticContact ND1-CE1 3.31Å; H188-H255 PolarHBondContact ND1-CE1 3.42Å; H188-H255 VanDerWaalsContact ND1-CE1 3.31Å; H188-H255 AromaticContact ND1-ND1 3.57Å; D252-H255 HydrophobicContact CB-CB 4.47Å; D252-H255 WeakPolarHBondContact O-CB 3.41Å; D252-H255 PolarHBondContact O-N 3.09Å; H255-G257 PolarHBondContact ND1-N 3.45Å; H255-G257 VanDerWaalsContact ND1-N 3.14Å; H255-H284 AromaticContact CD2-CE1 3.93Å; H255-H284 AromaticContact CD2-NE2 3.66Å; H255-E539 IonicContact CE1-OE1 3.65Å; H255-E539 PolarHBondContact CE1-OE1 3.04Å; H255-E539 VanDerWaalsContact CE1-OE1 3.23Å; H255-E539 IonicContact ND1-OE1 3.92Å; H255-E539 PolarHBondContact ND1-OE1 3.37Å
256	P	96.5	Very high	97.4	Very high	19 Å²	19	15.8 Å²	15.8	12%	0.123	9%	0.09	C	C	.	.			trans	-84.1	-10.9	-171.2	33	-35.4	0	0	0	114.1	I102 F258 L280	I102-P256 HydrophobicContact CD1-CB 4.3Å; P256-F258 WeakPolarHBondContact O-CD2 3.32Å; P256-L280 VanDerWaalsContact CD-CD2 3.4Å; P256-L280 HydrophobicContact CG-CD2 3.79Å
257	G	96.4	Very high	97.2	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	99.9	8	-173.4	0	0	0	0	0	114.6	H255 E539	H255-G257 PolarHBondContact ND1-N 3.45Å; H255-G257 VanDerWaalsContact ND1-N 3.14Å; G257-E539 VanDerWaalsContact CA-OE1 3.23Å; G257-E539 WeakPolarHBondContact CA-OE1 3.34Å; G257-E539 VanDerWaalsContact O-CG 3.31Å; G257-E539 WeakPolarHBondContact O-CG 3.44Å
258	F	96.1	Very high	97	Very high	23 Å²	23	17.3 Å²	17.3	10%	0.101	11%	0.106	C	C	.	.	S	Bend	trans	-145.7	120.9	-166.5	-65.4	-101.7	0	0	0	110	P97 P256 Y262 Q263 Q543 A546	P97-F258 HydrophobicContact CB-CE2 4.32Å; P97-F258 HydrophobicContact CG-CD2 3.57Å; P97-F258 HydrophobicContact CG-CE1 4.41Å; P97-F258 HydrophobicContact CG-CE2 3.16Å; P97-F258 HydrophobicContact CG-CG 4.43Å; P97-F258 HydrophobicContact CG-CZ 3.65Å; P256-F258 WeakPolarHBondContact O-CD2 3.32Å; F258-Y262 HydrophobicContact CB-CD1 3.64Å; F258-Y262 HydrophobicContact CB-CE1 4.33Å; F258-Y262 HydrophobicContact CB-CG 3.9Å; F258-Y262 AromaticContact CD1-CD1 3.93Å; F258-Y262 HydrophobicContact CD1-CD1 3.93Å; F258-Y262 AromaticContact CD1-CD2 3.89Å; F258-Y262 HydrophobicContact CD1-CD2 3.89Å; F258-Y262 HydrophobicContact CD1-CE1 4.04Å; F258-Y262 AromaticContact CD1-CE2 3.98Å; F258-Y262 HydrophobicContact CD1-CE2 3.98Å; F258-Y262 AromaticContact CD1-CG 3.87Å; F258-Y262 HydrophobicContact CD1-CG 3.87Å; F258-Y262 HydrophobicContact CE1-CE2 4.44Å; F258-Y262 HydrophobicContact CG-CD1 4.07Å; F258-Y262 HydrophobicContact CG-CE1 4.33Å; F258-Y262 HydrophobicContact CG-CG 4.31Å; F258-Q263 PolarHBondContact O-NE2 3.32Å; F258-Q543 HydrophobicContact CD1-CB 3.98Å; F258-Q543 HydrophobicContact CD1-CG 4.07Å; F258-Q543 HydrophobicContact CE1-CB 4.28Å; F258-A546 HydrophobicContact CE1-CB 3.69Å; F258-A546 HydrophobicContact CZ-CB 4.49Å
259	T	97.2	Very high	96.7	Very high	32 Å²	32	19.5 Å²	19.5	20%	0.196	11%	0.114	C	C	.	.			trans	-65.5	166.5	-170.5	60.4	0	0	0	0	114.7	S261 Y262 Q263 Q543 M558	T259-S261 PolarHBondContact O-N 3.38Å; T259-S261 VanDerWaalsContact O-N 3.13Å; T259-Y262 WeakPolarHBondContact O-CA 3.46Å; T259-Y262 WeakPolarHBondContact O-CB 3.3Å; T259-Y262 PolarHBondContact O-N 3.08Å; T259-Q263 PolarHBondContact O-N 3.31Å; T259-Q263 VanDerWaalsContact O-N 3.07Å; T259-Q543 VanDerWaalsContact OG1-CD 3.31Å; T259-Q543 PolarHBondContact OG1-NE2 3Å; T259-Q543 PolarHBondContact OG1-OE1 3.48Å; T259-M558 HydrophobicContact CG2-CE 4.07Å
260	N	97.7	Very high	96.6	Very high	21 Å²	21	19.8 Å²	19.8	11%	0.112	12%	0.116	C	C	.	.	H	α-helix	trans	-50.4	-37.7	177	-79.8	-27.2	0	0	0	113.2	Y262 Q263 I264 P279 L280 E281	N260-Y262 PolarHBondContact O-N 3.14Å; N260-Q263 PolarHBondContact O-N 2.71Å; N260-I264 VanDerWaalsContact O-CG1 3.32Å; N260-I264 WeakPolarHBondContact O-CG1 3.49Å; N260-I264 PolarHBondContact O-N 3.24Å; N260-P279 VanDerWaalsContact OD1-CD 3.27Å; N260-P279 WeakPolarHBondContact OD1-CD 3.47Å; N260-L280 VanDerWaalsContact OD1-CB 3.26Å; N260-L280 WeakPolarHBondContact OD1-CB 3.5Å; N260-L280 WeakPolarHBondContact OD1-CD1 3.16Å; N260-L280 WeakPolarHBondContact OD1-CG 3.05Å; N260-L280 PolarHBondContact OD1-N 3.03Å; N260-E281 VanDerWaalsContact ND2-CD 3.3Å; N260-E281 PolarHBondContact ND2-OE1 3.12Å; N260-E281 PolarHBondContact ND2-OE2 2.98Å
261	S	97.1	Very high	96.5	Very high	58 Å²	58	19.8 Å²	19.8	41%	0.406	12%	0.116	S	C	.	.	H	α-helix	trans	-55.4	-48.5	173.9	179.6	0	0	0	0	111.8	T259 N265	T259-S261 PolarHBondContact O-N 3.38Å; T259-S261 VanDerWaalsContact O-N 3.13Å; S261-N265 VanDerWaalsContact O-CB 3.25Å; S261-N265 WeakPolarHBondContact O-CB 3.48Å; S261-N265 PolarHBondContact O-N 2.83Å; S261-N265 PolarHBondContact O-ND2 3.34Å; S261-N265 PolarHBondContact OG-ND2 3.08Å
262	Y	96.8	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-44.4	176.2	-178.1	-86	0	0	0	111.8	Y95 F258 T259 N260 I264 N265 S266 T268 Q543 A546 E547 L552	Y95-Y262 VanDerWaalsContact C-OH 3.26Å; Y95-Y262 PolarHBondContact O-OH 3.48Å; F258-Y262 HydrophobicContact CB-CD1 3.64Å; F258-Y262 HydrophobicContact CB-CE1 4.33Å; F258-Y262 HydrophobicContact CB-CG 3.9Å; F258-Y262 AromaticContact CD1-CD1 3.93Å; F258-Y262 HydrophobicContact CD1-CD1 3.93Å; F258-Y262 AromaticContact CD1-CD2 3.89Å; F258-Y262 HydrophobicContact CD1-CD2 3.89Å; F258-Y262 HydrophobicContact CD1-CE1 4.04Å; F258-Y262 AromaticContact CD1-CE2 3.98Å; F258-Y262 HydrophobicContact CD1-CE2 3.98Å; F258-Y262 AromaticContact CD1-CG 3.87Å; F258-Y262 HydrophobicContact CD1-CG 3.87Å; F258-Y262 HydrophobicContact CE1-CE2 4.44Å; F258-Y262 HydrophobicContact CG-CD1 4.07Å; F258-Y262 HydrophobicContact CG-CE1 4.33Å; F258-Y262 HydrophobicContact CG-CG 4.31Å; T259-Y262 WeakPolarHBondContact O-CA 3.46Å; T259-Y262 WeakPolarHBondContact O-CB 3.3Å; T259-Y262 PolarHBondContact O-N 3.08Å; N260-Y262 PolarHBondContact O-N 3.14Å; Y262-I264 VanDerWaalsContact C-N 3.3Å; Y262-I264 PolarHBondContact O-N 3.1Å; Y262-N265 PolarHBondContact O-N 2.92Å; Y262-S266 WeakPolarHBondContact CE1-OG 3.33Å; Y262-S266 WeakPolarHBondContact O-CB 3.44Å; Y262-S266 PolarHBondContact O-N 3.46Å; Y262-S266 PolarHBondContact O-OG 2.6Å; Y262-T268 HydrophobicContact CE1-CG2 4.48Å; Y262-Q543 HydrophobicContact CD2-CG 4.06Å; Y262-Q543 HydrophobicContact CG-CG 4.41Å; Y262-A546 HydrophobicContact CE2-CB 3.98Å; Y262-E547 HydrophobicContact CD2-CG 3.73Å; Y262-E547 HydrophobicContact CE2-CG 4.16Å; Y262-L552 HydrophobicContact CE2-CD1 4.35Å
263	Q	96	Very high	96.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-46.6	-179	-58.6	-53	-38.1	0	0	111.5	F258 T259 N260 G267 T268 A271 L280	F258-Q263 PolarHBondContact O-NE2 3.32Å; T259-Q263 PolarHBondContact O-N 3.31Å; T259-Q263 VanDerWaalsContact O-N 3.07Å; N260-Q263 PolarHBondContact O-N 2.71Å; Q263-G267 PolarHBondContact O-N 2.83Å; Q263-T268 PolarHBondContact O-N 3.23Å; Q263-T268 VanDerWaalsContact OE1-CG2 3.27Å; Q263-T268 PolarHBondContact OE1-OG1 2.78Å; Q263-A271 HydrophobicContact CB-CB 4.36Å; Q263-A271 VanDerWaalsContact O-CB 3.27Å; Q263-A271 WeakPolarHBondContact O-CB 3.46Å; Q263-L280 HydrophobicContact CG-CD2 4.18Å; Q263-L280 HydrophobicContact CG-CG 4.14Å
264	I	96.8	Very high	96.3	Very high	63 Å²	63	32.5 Å²	32.5	32%	0.323	17%	0.172	S	C	.	.	H	α-helix	trans	-71.6	-52.3	-178.9	-62.7	164.5	0	0	0	110.3	N260 Y262 S266 G267 A271 D276 P279	N260-I264 VanDerWaalsContact O-CG1 3.32Å; N260-I264 WeakPolarHBondContact O-CG1 3.49Å; N260-I264 PolarHBondContact O-N 3.24Å; Y262-I264 VanDerWaalsContact C-N 3.3Å; Y262-I264 PolarHBondContact O-N 3.1Å; I264-S266 VanDerWaalsContact C-N 3.3Å; I264-S266 PolarHBondContact O-N 3.02Å; I264-G267 PolarHBondContact O-N 3.2Å; I264-A271 HydrophobicContact CG1-CB 4.28Å; I264-D276 HydrophobicContact CD1-CB 4.04Å; I264-D276 HydrophobicContact CG1-CB 3.96Å; I264-D276 HydrophobicContact CG2-CB 4.29Å; I264-P279 HydrophobicContact CG1-CG 4.32Å
265	N	96.1	Very high	96.3	Very high	71 Å²	71	37.7 Å²	37.7	38%	0.38	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-34	-176.2	-70	-22.6	0	0	0	113.3	S261 Y262 L552	S261-N265 VanDerWaalsContact O-CB 3.25Å; S261-N265 WeakPolarHBondContact O-CB 3.48Å; S261-N265 PolarHBondContact O-N 2.83Å; S261-N265 PolarHBondContact O-ND2 3.34Å; S261-N265 PolarHBondContact OG-ND2 3.08Å; Y262-N265 PolarHBondContact O-N 2.92Å; N265-L552 HydrophobicContact CB-CD1 4.42Å; N265-L552 HydrophobicContact CB-CD2 4.39Å; N265-L552 WeakPolarHBondContact O-CD2 3.46Å
266	S	94.1	Very high	96.3	Very high	7 Å²	7	41.7 Å²	41.7	5%	0.049	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.9	176.6	65.2	0	0	0	0	114	N93 Y262 I264 T268	N93-S266 PolarHBondContact ND2-O 2.95Å; Y262-S266 WeakPolarHBondContact CE1-OG 3.33Å; Y262-S266 WeakPolarHBondContact O-CB 3.44Å; Y262-S266 PolarHBondContact O-N 3.46Å; Y262-S266 PolarHBondContact O-OG 2.6Å; I264-S266 VanDerWaalsContact C-N 3.3Å; I264-S266 PolarHBondContact O-N 3.02Å; S266-T268 WeakPolarHBondContact OG-CG2 3.32Å
267	G	94.2	Very high	96.4	Very high	32 Å²	32	46.3 Å²	46.3	33%	0.33	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	41.5	178.8	0	0	0	0	0	113.8	Q263 I264	Q263-G267 PolarHBondContact O-N 2.83Å; I264-G267 PolarHBondContact O-N 3.2Å
268	T	93.8	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.			trans	-67.3	163.9	-176.8	73.8	0	0	0	0	112.5	Y262 Q263 S266 L270 A271 L272	Y262-T268 HydrophobicContact CE1-CG2 4.48Å; Q263-T268 PolarHBondContact O-N 3.23Å; Q263-T268 VanDerWaalsContact OE1-CG2 3.27Å; Q263-T268 PolarHBondContact OE1-OG1 2.78Å; S266-T268 WeakPolarHBondContact OG-CG2 3.32Å; T268-L270 PolarHBondContact O-N 2.9Å; T268-L270 VanDerWaalsContact O-N 3.12Å; T268-L270 PolarHBondContact OG1-N 3.03Å; T268-A271 PolarHBondContact O-N 2.98Å; T268-L272 WeakPolarHBondContact O-CG 3.3Å; T268-L272 PolarHBondContact O-N 3.27Å
269	W	94.2	Very high	96.6	Very high	46 Å²	46	45.9 Å²	45.9	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-24.5	174	75.5	-93.4	0	0	0	113	R89 R273 H283	R89-W269 VanDerWaalsContact NH1-CZ2 3.26Å; W269-R273 HydrophobicContact CE3-CB 4.46Å; W269-R273 WeakPolarHBondContact O-CB 3.32Å; W269-R273 PolarHBondContact O-N 3Å; W269-H283 AromaticContact CH2-CE1 3.72Å; W269-H283 AromaticContact CH2-ND1 3.76Å
270	L	95.9	Very high	96.7	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-53.6	175.1	-77	168.4	0	0	0	110.7	T268 L272 R273 Y274 P279 L280 H283	T268-L270 PolarHBondContact O-N 2.9Å; T268-L270 VanDerWaalsContact O-N 3.12Å; T268-L270 PolarHBondContact OG1-N 3.03Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 3.15Å; L270-R273 PolarHBondContact O-N 3.12Å; L270-R273 VanDerWaalsContact O-N 3.12Å; L270-Y274 HydrophobicContact CD2-CD2 4.42Å; L270-Y274 HydrophobicContact CD2-CE2 3.93Å; L270-Y274 VanDerWaalsContact O-CD2 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.17Å; L270-Y274 PolarHBondContact O-N 3.07Å; L270-P279 HydrophobicContact CB-CB 4.2Å; L270-L280 HydrophobicContact CD1-CD2 4.27Å; L270-H283 HydrophobicContact CD2-CB 3.59Å
271	A	96.9	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.2	-47.3	176.3	0	0	0	0	0	111.2	Q263 I264 T268 R273 Y274 N275 D276 P279	Q263-A271 HydrophobicContact CB-CB 4.36Å; Q263-A271 VanDerWaalsContact O-CB 3.27Å; Q263-A271 WeakPolarHBondContact O-CB 3.46Å; I264-A271 HydrophobicContact CG1-CB 4.28Å; T268-A271 PolarHBondContact O-N 2.98Å; A271-R273 PolarHBondContact O-N 2.89Å; A271-Y274 PolarHBondContact O-N 3.36Å; A271-N275 WeakPolarHBondContact O-CA 3.45Å; A271-N275 PolarHBondContact O-N 2.85Å; A271-D276 WeakPolarHBondContact CB-OD1 3.3Å; A271-D276 PolarHBondContact O-N 2.92Å; A271-D276 VanDerWaalsContact O-N 3.08Å; A271-P279 HydrophobicContact CB-CG 4.46Å
272	L	96	Very high	96.8	Very high	117 Å²	117	43.8 Å²	43.8	61%	0.613	23%	0.225	S	C	*	.	H	α-helix	trans	-63.9	-32.8	175.9	-65.8	173.5	0	0	0	113.9	T268 L270	T268-L272 WeakPolarHBondContact O-CG 3.3Å; T268-L272 PolarHBondContact O-N 3.27Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 3.15Å
273	R	97.2	Very high	96.9	Very high	124 Å²	124	44 Å²	44	47%	0.468	23%	0.226	S	C	.	.	H	α-helix	trans	-73.7	-39.9	177.9	179.1	176.1	-66	-177.6	5	112.1	W269 L270 A271 N275	W269-R273 HydrophobicContact CE3-CB 4.46Å; W269-R273 WeakPolarHBondContact O-CB 3.32Å; W269-R273 PolarHBondContact O-N 3Å; L270-R273 PolarHBondContact O-N 3.12Å; L270-R273 VanDerWaalsContact O-N 3.12Å; A271-R273 PolarHBondContact O-N 2.89Å; R273-N275 PolarHBondContact O-ND2 3.17Å
274	Y	98.1	Very high	97.1	Very high	38 Å²	38	44 Å²	44	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-100.5	2.9	-175	-58.9	-62.5	0	0	0	113.6	L270 A271 I277 P279 N282 H283	L270-Y274 HydrophobicContact CD2-CD2 4.42Å; L270-Y274 HydrophobicContact CD2-CE2 3.93Å; L270-Y274 VanDerWaalsContact O-CD2 3.3Å; L270-Y274 WeakPolarHBondContact O-CD2 3.17Å; L270-Y274 PolarHBondContact O-N 3.07Å; A271-Y274 PolarHBondContact O-N 3.36Å; Y274-I277 PolarHBondContact O-N 3.13Å; Y274-P279 HydrophobicContact CD2-CB 4.24Å; Y274-P279 WeakPolarHBondContact CD2-O 3.23Å; Y274-P279 WeakPolarHBondContact CE2-O 3.48Å; Y274-N282 HydrophobicContact CD1-CB 3.52Å; Y274-N282 HydrophobicContact CD2-CB 4.01Å; Y274-N282 HydrophobicContact CE1-CB 3.69Å; Y274-N282 HydrophobicContact CE2-CB 4.14Å; Y274-N282 HydrophobicContact CG-CB 3.7Å; Y274-H283 HydrophobicContact CE2-CB 3.89Å
275	N	98.1	Very high	97.2	Very high	123 Å²	123	41.3 Å²	41.3	66%	0.658	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	47.6	176.6	-46.6	-98.3	0	0	0	111.2	A271 R273 I277	A271-N275 WeakPolarHBondContact O-CA 3.45Å; A271-N275 PolarHBondContact O-N 2.85Å; R273-N275 PolarHBondContact O-ND2 3.17Å; N275-I277 PolarHBondContact O-N 3.33Å
276	D	98.1	Very high	97.3	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	1.7	-179.4	-50.2	-34.6	0	0	0	116.2	I264 A271	I264-D276 HydrophobicContact CD1-CB 4.04Å; I264-D276 HydrophobicContact CG1-CB 3.96Å; I264-D276 HydrophobicContact CG2-CB 4.29Å; A271-D276 WeakPolarHBondContact CB-OD1 3.3Å; A271-D276 PolarHBondContact O-N 2.92Å; A271-D276 VanDerWaalsContact O-N 3.08Å
277	I	98.4	Very high	97.5	Very high	116 Å²	116	41.5 Å²	41.5	60%	0.595	21%	0.212	S	C	*	.	S	Bend	trans	-88.7	109	177.4	-63.2	157.4	0	0	0	109.6	Y274 N275 P279 N282	Y274-I277 PolarHBondContact O-N 3.13Å; N275-I277 PolarHBondContact O-N 3.33Å; I277-P279 VanDerWaalsContact C-CD 3.49Å; I277-N282 PolarHBondContact O-ND2 3.34Å
278	S	98.4	Very high	97.7	Very high	18 Å²	18	40 Å²	40	13%	0.126	20%	0.196	C	C	.	.	S	Bend	trans	34.3	60.4	-179.5	-50.2	0	0	0	0	113.7	L280 E281 N282 D324	S278-L280 VanDerWaalsContact C-N 3.3Å; S278-L280 PolarHBondContact O-N 3.02Å; S278-E281 VanDerWaalsContact C-OE2 3.29Å; S278-E281 WeakPolarHBondContact CA-OE2 3.49Å; S278-E281 WeakPolarHBondContact CB-OE2 3.29Å; S278-E281 PolarHBondContact O-N 3.01Å; S278-N282 WeakPolarHBondContact O-CB 3.31Å; S278-N282 PolarHBondContact O-N 3.06Å; S278-N282 VanDerWaalsContact O-N 3.09Å; S278-N282 PolarHBondContact O-ND2 2.99Å; S278-D324 VanDerWaalsContact CB-OD2 3.31Å; S278-D324 WeakPolarHBondContact CB-OD2 3.33Å; S278-D324 PolarHBondContact OG-OD2 3.21Å
279	P	98.5	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-31.7	-167.8	-28	37.3	0	0	0	115.2	N260 I264 L270 A271 Y274 I277 H283	N260-P279 VanDerWaalsContact OD1-CD 3.27Å; N260-P279 WeakPolarHBondContact OD1-CD 3.47Å; I264-P279 HydrophobicContact CG1-CG 4.32Å; L270-P279 HydrophobicContact CB-CB 4.2Å; A271-P279 HydrophobicContact CB-CG 4.46Å; Y274-P279 HydrophobicContact CD2-CB 4.24Å; Y274-P279 WeakPolarHBondContact CD2-O 3.23Å; Y274-P279 WeakPolarHBondContact CE2-O 3.48Å; I277-P279 VanDerWaalsContact C-CD 3.49Å; P279-H283 WeakPolarHBondContact O-CB 3.46Å; P279-H283 PolarHBondContact O-N 3.24Å
280	L	98.6	Very high	98.1	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-72.3	-53.7	177.9	-73.3	172.8	0	0	0	111.3	P256 N260 Q263 L270 S278 N282 H283 H284	P256-L280 VanDerWaalsContact CD-CD2 3.4Å; P256-L280 HydrophobicContact CG-CD2 3.79Å; N260-L280 VanDerWaalsContact OD1-CB 3.26Å; N260-L280 WeakPolarHBondContact OD1-CB 3.5Å; N260-L280 WeakPolarHBondContact OD1-CD1 3.16Å; N260-L280 WeakPolarHBondContact OD1-CG 3.05Å; N260-L280 PolarHBondContact OD1-N 3.03Å; Q263-L280 HydrophobicContact CG-CD2 4.18Å; Q263-L280 HydrophobicContact CG-CG 4.14Å; L270-L280 HydrophobicContact CD1-CD2 4.27Å; S278-L280 VanDerWaalsContact C-N 3.3Å; S278-L280 PolarHBondContact O-N 3.02Å; L280-N282 VanDerWaalsContact C-N 3.29Å; L280-N282 PolarHBondContact O-N 3.48Å; L280-H283 CarbonylContact O-C 3.47Å; L280-H283 WeakPolarHBondContact O-CA 3.01Å; L280-H283 VanDerWaalsContact O-CB 3.27Å; L280-H283 WeakPolarHBondContact O-CB 3.48Å; L280-H283 PolarHBondContact O-N 3.34Å; L280-H284 VanDerWaalsContact C-CD2 3.45Å; L280-H284 WeakPolarHBondContact CB-NE2 3.35Å; L280-H284 PolarHBondContact O-CD2 2.88Å; L280-H284 PolarHBondContact O-CE1 3.45Å; L280-H284 PolarHBondContact O-N 3.22Å; L280-H284 PolarHBondContact O-ND1 3.2Å; L280-H284 PolarHBondContact O-NE2 3.36Å
281	E	98.8	Very high	98.2	Very high	17 Å²	17	40.1 Å²	40.1	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-34.1	-174.3	-57.4	79.5	-178.9	0	0	111.4	N260 S278 H283 C285 L321 D324	N260-E281 VanDerWaalsContact ND2-CD 3.3Å; N260-E281 PolarHBondContact ND2-OE1 3.12Å; N260-E281 PolarHBondContact ND2-OE2 2.98Å; S278-E281 VanDerWaalsContact C-OE2 3.29Å; S278-E281 WeakPolarHBondContact CA-OE2 3.49Å; S278-E281 WeakPolarHBondContact CB-OE2 3.29Å; S278-E281 PolarHBondContact O-N 3.01Å; E281-H283 VanDerWaalsContact C-N 3.35Å; E281-C285 WeakPolarHBondContact O-CB 3.45Å; E281-C285 PolarHBondContact O-N 3.41Å; E281-L321 HydrophobicContact CB-CD2 3.95Å; E281-D324 HydrophobicContact CG-CB 3.92Å; E281-D324 WeakPolarHBondContact OE1-CA 3.39Å; E281-D324 WeakPolarHBondContact OE1-CB 3.46Å
282	N	98.8	Very high	98.2	Very high	44 Å²	44	40.1 Å²	40.1	24%	0.235	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-38.3	168.6	-82.5	-80	0	0	0	112.3	Y274 I277 S278 L280 M286 L321	Y274-N282 HydrophobicContact CD1-CB 3.52Å; Y274-N282 HydrophobicContact CD2-CB 4.01Å; Y274-N282 HydrophobicContact CE1-CB 3.69Å; Y274-N282 HydrophobicContact CE2-CB 4.14Å; Y274-N282 HydrophobicContact CG-CB 3.7Å; I277-N282 PolarHBondContact O-ND2 3.34Å; S278-N282 WeakPolarHBondContact O-CB 3.31Å; S278-N282 PolarHBondContact O-N 3.06Å; S278-N282 VanDerWaalsContact O-N 3.09Å; S278-N282 PolarHBondContact O-ND2 2.99Å; L280-N282 VanDerWaalsContact C-N 3.29Å; L280-N282 PolarHBondContact O-N 3.48Å; N282-M286 WeakPolarHBondContact O-CB 3.32Å; N282-M286 PolarHBondContact O-N 3.21Å; N282-L321 HydrophobicContact CB-CD2 4.33Å
283	H	98.6	Very high	98.3	Very high	6 Å²	6	39 Å²	39	3%	0.028	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-40.4	176.6	-172.9	56.4	0	0	0	113.1	D254 W269 L270 Y274 P279 L280 E281 M286 T287	D254-H283 IonicContact OD2-CD2 3.85Å; D254-H283 IonicContact OD2-CE1 3.83Å; D254-H283 IonicContact OD2-NE2 2.76Å; D254-H283 PolarHBondContact OD2-NE2 3.17Å; W269-H283 AromaticContact CH2-CE1 3.72Å; W269-H283 AromaticContact CH2-ND1 3.76Å; L270-H283 HydrophobicContact CD2-CB 3.59Å; Y274-H283 HydrophobicContact CE2-CB 3.89Å; P279-H283 WeakPolarHBondContact O-CB 3.46Å; P279-H283 PolarHBondContact O-N 3.24Å; L280-H283 CarbonylContact O-C 3.47Å; L280-H283 WeakPolarHBondContact O-CA 3.01Å; L280-H283 VanDerWaalsContact O-CB 3.27Å; L280-H283 WeakPolarHBondContact O-CB 3.48Å; L280-H283 PolarHBondContact O-N 3.34Å; E281-H283 VanDerWaalsContact C-N 3.35Å; H283-M286 PolarHBondContact O-N 2.67Å; H283-T287 VanDerWaalsContact O-CB 3.31Å; H283-T287 WeakPolarHBondContact O-CB 3.4Å; H283-T287 PolarHBondContact O-N 3.07Å; H283-T287 PolarHBondContact O-OG1 3.06Å
284	H	98.8	Very high	98.2	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-47	175.1	-53	-28.1	0	0	0	110.3	H251 L253 H255 L280 T287 A288 I320	H251-H284 WeakPolarHBondContact O-CB 3.38Å; H251-H284 PolarHBondContact O-CD2 3.12Å; L253-H284 HydrophobicContact CB-CB 4.49Å; L253-H284 WeakPolarHBondContact O-CA 3.09Å; L253-H284 PolarHBondContact O-ND1 2.93Å; H255-H284 AromaticContact CD2-CE1 3.93Å; H255-H284 AromaticContact CD2-NE2 3.66Å; L280-H284 VanDerWaalsContact C-CD2 3.45Å; L280-H284 WeakPolarHBondContact CB-NE2 3.35Å; L280-H284 PolarHBondContact O-CD2 2.88Å; L280-H284 PolarHBondContact O-CE1 3.45Å; L280-H284 PolarHBondContact O-N 3.22Å; L280-H284 PolarHBondContact O-ND1 3.2Å; L280-H284 PolarHBondContact O-NE2 3.36Å; H284-T287 PolarHBondContact O-N 3.12Å; H284-A288 WeakPolarHBondContact O-CB 3.27Å; H284-A288 PolarHBondContact O-N 2.79Å; H284-I320 HydrophobicContact CB-CG2 4.18Å
285	C	98.8	Very high	98	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.7	-163.9	0	0	0	0	112.3	E281 T287 A288 F289 I320	E281-C285 WeakPolarHBondContact O-CB 3.45Å; E281-C285 PolarHBondContact O-N 3.41Å; C285-T287 PolarHBondContact O-N 2.65Å; C285-A288 PolarHBondContact O-N 3.47Å; C285-F289 VanDerWaalsContact O-CD2 3.28Å; C285-F289 WeakPolarHBondContact O-CD2 3.42Å; C285-F289 PolarHBondContact O-N 2.75Å; C285-F289 VanDerWaalsContact O-N 3.12Å; C285-I320 HydrophobicContact CB-CB 4.16Å; C285-I320 HydrophobicContact CB-CD1 4.34Å; C285-I320 HydrophobicContact CB-CG2 3.85Å
286	M	98.5	Very high	97.9	Very high	82 Å²	82	36.4 Å²	36.4	40%	0.404	20%	0.201	S	C	.	.	H	α-helix	trans	-58.5	-46.6	174.1	176.7	-87.7	174.2	0	0	111.3	N282 H283 F289 D290	N282-M286 WeakPolarHBondContact O-CB 3.32Å; N282-M286 PolarHBondContact O-N 3.21Å; H283-M286 PolarHBondContact O-N 2.67Å; M286-F289 PolarHBondContact O-N 2.91Å; M286-D290 WeakPolarHBondContact O-CB 3.41Å; M286-D290 PolarHBondContact O-N 2.67Å
287	T	98.3	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-38.7	178	-64.9	0	0	0	0	112.1	R181 L253 H283 H284 C285 F289 D290 L291	R181-T287 HydrophobicContact CB-CG2 4.14Å; R181-T287 HydrophobicContact CG-CG2 4.16Å; R181-T287 VanDerWaalsContact CZ-CG2 3.42Å; R181-T287 VanDerWaalsContact NH1-CG2 3.33Å; L253-T287 HydrophobicContact CB-CG2 3.76Å; L253-T287 HydrophobicContact CD1-CG2 4.18Å; L253-T287 HydrophobicContact CG-CG2 4.39Å; H283-T287 VanDerWaalsContact O-CB 3.31Å; H283-T287 WeakPolarHBondContact O-CB 3.4Å; H283-T287 PolarHBondContact O-N 3.07Å; H283-T287 PolarHBondContact O-OG1 3.06Å; H284-T287 PolarHBondContact O-N 3.12Å; C285-T287 PolarHBondContact O-N 2.65Å; T287-F289 VanDerWaalsContact C-N 3.33Å; T287-F289 PolarHBondContact O-N 3.5Å; T287-D290 WeakPolarHBondContact O-CB 3.41Å; T287-D290 PolarHBondContact O-N 2.88Å; T287-L291 WeakPolarHBondContact O-CG 3.33Å; T287-L291 PolarHBondContact O-N 2.91Å; T287-L291 VanDerWaalsContact O-N 3.07Å
288	A	98.7	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-42.3	175.2	0	0	0	0	0	112.1	F246 L253 H284 C285 I320	F246-A288 HydrophobicContact CE1-CB 3.84Å; F246-A288 HydrophobicContact CZ-CB 3.99Å; L253-A288 HydrophobicContact CD1-CB 3.85Å; H284-A288 WeakPolarHBondContact O-CB 3.27Å; H284-A288 PolarHBondContact O-N 2.79Å; C285-A288 PolarHBondContact O-N 3.47Å; A288-I320 HydrophobicContact CB-CD1 4.25Å
289	F	98.7	Very high	97.9	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-77.4	-33.5	177.3	-78.6	-69.8	0	0	0	113.7	C285 M286 T287 I292 T293 F312 R313 V316 I317	C285-F289 VanDerWaalsContact O-CD2 3.28Å; C285-F289 WeakPolarHBondContact O-CD2 3.42Å; C285-F289 PolarHBondContact O-N 2.75Å; C285-F289 VanDerWaalsContact O-N 3.12Å; M286-F289 PolarHBondContact O-N 2.91Å; T287-F289 VanDerWaalsContact C-N 3.33Å; T287-F289 PolarHBondContact O-N 3.5Å; F289-I292 HydrophobicContact CD1-CD1 3.92Å; F289-I292 HydrophobicContact CD1-CG1 4.37Å; F289-I292 HydrophobicContact CE1-CD1 4.18Å; F289-I292 PolarHBondContact O-N 3.21Å; F289-T293 WeakPolarHBondContact O-CB 3.37Å; F289-T293 PolarHBondContact O-N 3.37Å; F289-T293 PolarHBondContact O-OG1 2.93Å; F289-F312 HydrophobicContact CE1-CD1 4.37Å; F289-F312 HydrophobicContact CE1-CE1 4.05Å; F289-F312 HydrophobicContact CZ-CE1 4.35Å; F289-R313 VanDerWaalsContact CD2-NH1 3.26Å; F289-R313 HydrophobicContact CE1-CB 4.25Å; F289-R313 HydrophobicContact CE1-CG 4.04Å; F289-R313 HydrophobicContact CE2-CG 4.49Å; F289-R313 HydrophobicContact CZ-CB 4.2Å; F289-R313 HydrophobicContact CZ-CG 3.87Å; F289-V316 HydrophobicContact CE2-CB 4.38Å; F289-V316 HydrophobicContact CE2-CG1 3.83Å; F289-V316 HydrophobicContact CZ-CB 4.01Å; F289-V316 HydrophobicContact CZ-CG1 3.81Å; F289-I317 HydrophobicContact CE2-CD1 4.4Å; F289-I317 HydrophobicContact CE2-CG1 3.78Å; F289-I317 HydrophobicContact CZ-CG1 4.44Å
290	D	98.2	Very high	97.9	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-53.7	-53.2	170.7	172.3	52.3	0	0	0	110.7	H83 R181 M286 T287 I292 T293 N294	H83-D290 IonicContact NE2-OD1 2.72Å; R181-D290 IonicContact CZ-OD2 3.41Å; R181-D290 IonicContact NH2-OD2 2.92Å; R181-D290 PolarHBondContact NH2-OD2 2.89Å; M286-D290 WeakPolarHBondContact O-CB 3.41Å; M286-D290 PolarHBondContact O-N 2.67Å; T287-D290 WeakPolarHBondContact O-CB 3.41Å; T287-D290 PolarHBondContact O-N 2.88Å; D290-I292 PolarHBondContact O-N 3.44Å; D290-T293 PolarHBondContact O-N 3.42Å; D290-T293 VanDerWaalsContact O-N 3.17Å; D290-N294 WeakPolarHBondContact O-CB 3.43Å; D290-N294 PolarHBondContact O-N 3.41Å; D290-N294 PolarHBondContact OD1-ND2 2.8Å
291	L	97.7	Very high	97.8	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-53.1	-44.8	-180	-77.3	-178.8	0	0	0	114	R181 L253 T287 N295	R181-L291 HydrophobicContact CB-CD1 4.49Å; R181-L291 HydrophobicContact CG-CD1 4.02Å; R181-L291 HydrophobicContact CG-CD2 3.78Å; R181-L291 HydrophobicContact CG-CG 4.18Å; L253-L291 HydrophobicContact CD1-CD1 4.04Å; L253-L291 HydrophobicContact CD2-CD1 4.43Å; T287-L291 WeakPolarHBondContact O-CG 3.33Å; T287-L291 PolarHBondContact O-N 2.91Å; T287-L291 VanDerWaalsContact O-N 3.07Å; L291-N295 WeakPolarHBondContact O-CB 3.45Å; L291-N295 PolarHBondContact O-N 3.23Å
292	I	97.9	Very high	97.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-87	-18	-178.4	63.1	178.9	0	0	0	113.9	F246 F289 D290 N299 I301 F312	F246-I292 HydrophobicContact CE2-CD1 4.11Å; F246-I292 HydrophobicContact CE2-CG2 3.87Å; F246-I292 HydrophobicContact CZ-CD1 3.9Å; F246-I292 HydrophobicContact CZ-CG2 4.3Å; F289-I292 HydrophobicContact CD1-CD1 3.92Å; F289-I292 HydrophobicContact CD1-CG1 4.37Å; F289-I292 HydrophobicContact CE1-CD1 4.18Å; F289-I292 PolarHBondContact O-N 3.21Å; D290-I292 PolarHBondContact O-N 3.44Å; I292-N299 VanDerWaalsContact O-CB 3.29Å; I292-N299 WeakPolarHBondContact O-CB 3.39Å; I292-N299 PolarHBondContact O-ND2 2.94Å; I292-N299 VanDerWaalsContact O-ND2 3.14Å; I292-I301 HydrophobicContact CD1-CD1 3.76Å; I292-I301 HydrophobicContact CD1-CG1 4.08Å; I292-F312 HydrophobicContact CD1-CE1 4.21Å
293	T	96.6	Very high	97.7	Very high	94 Å²	94	33.6 Å²	33.6	58%	0.577	20%	0.2	S	C	*	.	H	α-helix	trans	-88	-45.1	179.9	-54.6	0	0	0	0	111.2	F289 D290	F289-T293 WeakPolarHBondContact O-CB 3.37Å; F289-T293 PolarHBondContact O-N 3.37Å; F289-T293 PolarHBondContact O-OG1 2.93Å; D290-T293 PolarHBondContact O-N 3.42Å; D290-T293 VanDerWaalsContact O-N 3.17Å
294	N	95.3	Very high	97.7	Very high	104 Å²	104	34.1 Å²	34.1	56%	0.556	20%	0.202	S	C	*	.	H	α-helix	trans	-91.7	-12.7	-174.1	-68.3	-33.1	0	0	0	113.6	D290	D290-N294 WeakPolarHBondContact O-CB 3.43Å; D290-N294 PolarHBondContact O-N 3.41Å; D290-N294 PolarHBondContact OD1-ND2 2.8Å
295	N	94.8	Very high	97.6	Very high	26 Å²	26	37.4 Å²	37.4	14%	0.139	22%	0.223	C	C	.	.			trans	-115.7	95.8	168.3	-177.8	4.4	0	0	0	111.9	L291 T297 A298 N299	L291-N295 WeakPolarHBondContact O-CB 3.45Å; L291-N295 PolarHBondContact O-N 3.23Å; N295-T297 PolarHBondContact O-N 3.21Å; N295-T297 VanDerWaalsContact O-N 3.17Å; N295-T297 PolarHBondContact OD1-N 2.73Å; N295-T297 PolarHBondContact OD1-OG1 3.18Å; N295-A298 HydrophobicContact CB-CB 4.11Å; N295-A298 WeakPolarHBondContact ND2-CB 3.41Å; N295-A298 PolarHBondContact O-N 3.35Å; N295-N299 PolarHBondContact O-N 3.49Å
296	P	96.1	Very high	97.6	Very high	100 Å²	100	41.6 Å²	41.6	65%	0.649	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-58	-27.6	177.2	-26.6	35.6	0	0	0	114.7	A298 N299	P296-A298 PolarHBondContact O-N 3.02Å; P296-N299 PolarHBondContact O-N 3.29Å
297	T	97.3	Very high	97.5	Very high	62 Å²	62	42.7 Å²	42.7	38%	0.38	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-78.5	-10.1	179.3	76.6	0	0	0	0	113	T170 N173 N295	T170-T297 WeakPolarHBondContact CA-O 3.45Å; N173-T297 VanDerWaalsContact CB-O 3.25Å; N173-T297 WeakPolarHBondContact CB-O 3.5Å; N173-T297 PolarHBondContact ND2-O 3.05Å; N173-T297 VanDerWaalsContact ND2-O 3.07Å; N295-T297 PolarHBondContact O-N 3.21Å; N295-T297 VanDerWaalsContact O-N 3.17Å; N295-T297 PolarHBondContact OD1-N 2.73Å; N295-T297 PolarHBondContact OD1-OG1 3.18Å
298	A	97.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-109.8	5.9	173.7	0	0	0	0	0	113.2	N173 W174 N295 P296 I300	N173-A298 HydrophobicContact CB-CB 4.3Å; W174-A298 HydrophobicContact CB-CB 4.08Å; W174-A298 WeakPolarHBondContact CB-O 3.41Å; N295-A298 HydrophobicContact CB-CB 4.11Å; N295-A298 WeakPolarHBondContact ND2-CB 3.41Å; N295-A298 PolarHBondContact O-N 3.35Å; P296-A298 PolarHBondContact O-N 3.02Å; A298-I300 PolarHBondContact O-N 3Å
299	N	98.4	Very high	97.5	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	29%	0.285	C	S	.	.			trans	-79.3	84.7	-176.5	-171.5	-19.5	0	0	0	112	I292 N295 P296 I301 S302	I292-N299 VanDerWaalsContact O-CB 3.29Å; I292-N299 WeakPolarHBondContact O-CB 3.39Å; I292-N299 PolarHBondContact O-ND2 2.94Å; I292-N299 VanDerWaalsContact O-ND2 3.14Å; N295-N299 PolarHBondContact O-N 3.49Å; P296-N299 PolarHBondContact O-N 3.29Å; N299-I301 PolarHBondContact O-N 2.49Å; N299-I301 WeakPolarHBondContact OD1-CG1 3.4Å; N299-I301 PolarHBondContact OD1-N 3.48Å; N299-I301 VanDerWaalsContact OD1-N 3.15Å; N299-S302 VanDerWaalsContact O-CB 3.3Å; N299-S302 WeakPolarHBondContact O-CB 3.44Å; N299-S302 PolarHBondContact O-N 3.3Å; N299-S302 PolarHBondContact O-OG 2.94Å; N299-S302 PolarHBondContact OD1-N 3.48Å; N299-S302 VanDerWaalsContact OD1-N 3.1Å
300	I	98.4	Very high	97.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.6	179.2	71.5	171	0	0	0	114.2	F155 F166 T170 W174 L242 F246 A298	F155-I300 HydrophobicContact CE1-CD1 4.19Å; F166-I300 HydrophobicContact CD1-CB 4.22Å; F166-I300 WeakPolarHBondContact CD1-O 3.45Å; F166-I300 HydrophobicContact CD2-CB 4.23Å; F166-I300 HydrophobicContact CD2-CG2 4.33Å; F166-I300 HydrophobicContact CE1-CB 4.41Å; F166-I300 HydrophobicContact CE2-CB 4.44Å; F166-I300 HydrophobicContact CG-CB 4.12Å; F166-I300 WeakPolarHBondContact CG-O 3.29Å; T170-I300 HydrophobicContact CG2-CG2 4.15Å; W174-I300 HydrophobicContact CB-CG2 3.61Å; W174-I300 HydrophobicContact CD2-CD1 3.92Å; W174-I300 HydrophobicContact CD2-CG2 4.22Å; W174-I300 HydrophobicContact CE3-CD1 3.88Å; W174-I300 HydrophobicContact CE3-CG2 4.36Å; W174-I300 HydrophobicContact CG-CD1 4.48Å; W174-I300 HydrophobicContact CG-CG2 3.88Å; W174-I300 HydrophobicContact CH2-CD1 4.46Å; W174-I300 HydrophobicContact CZ3-CD1 4.16Å; L242-I300 HydrophobicContact CD1-CD1 3.91Å; F246-I300 HydrophobicContact CD2-CD1 3.83Å; F246-I300 HydrophobicContact CD2-CG1 4.39Å; F246-I300 HydrophobicContact CE2-CD1 4.47Å; A298-I300 PolarHBondContact O-N 3Å
301	I	98.1	Very high	97.4	Very high	26 Å²	26	55.9 Å²	55.9	13%	0.133	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	4.3	175.4	66.7	171.1	0	0	0	113.6	L242 I292 N299 G303 L304 F312	L242-I301 HydrophobicContact CD2-CG2 4.41Å; I292-I301 HydrophobicContact CD1-CD1 3.76Å; I292-I301 HydrophobicContact CD1-CG1 4.08Å; N299-I301 PolarHBondContact O-N 2.49Å; N299-I301 WeakPolarHBondContact OD1-CG1 3.4Å; N299-I301 PolarHBondContact OD1-N 3.48Å; N299-I301 VanDerWaalsContact OD1-N 3.15Å; I301-G303 PolarHBondContact O-N 3.48Å; I301-L304 HydrophobicContact CB-CD1 3.91Å; I301-L304 HydrophobicContact CB-CG 4.25Å; I301-L304 HydrophobicContact CG2-CD1 3.93Å; I301-L304 WeakPolarHBondContact O-CB 3.25Å; I301-L304 PolarHBondContact O-N 3.48Å; I301-L304 VanDerWaalsContact O-N 3.12Å; I301-F312 HydrophobicContact CD1-CD1 3.98Å; I301-F312 HydrophobicContact CD1-CE1 4.04Å; I301-F312 HydrophobicContact CG2-CD1 3.8Å; I301-F312 HydrophobicContact CG2-CD2 4Å; I301-F312 HydrophobicContact CG2-CE1 3.57Å; I301-F312 HydrophobicContact CG2-CE2 3.78Å; I301-F312 HydrophobicContact CG2-CG 4.01Å; I301-F312 HydrophobicContact CG2-CZ 3.55Å
302	S	96.9	Very high	97.4	Very high	79 Å²	79	55.1 Å²	55.1	55%	0.552	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	178.6	53.8	0	0	0	0	114.4	N299	N299-S302 VanDerWaalsContact O-CB 3.3Å; N299-S302 WeakPolarHBondContact O-CB 3.44Å; N299-S302 PolarHBondContact O-N 3.3Å; N299-S302 PolarHBondContact O-OG 2.94Å; N299-S302 PolarHBondContact OD1-N 3.48Å; N299-S302 VanDerWaalsContact OD1-N 3.1Å
303	G	97.3	Very high	97.4	Very high	22 Å²	22	61 Å²	61	23%	0.227	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.9	176.6	0	0	0	0	0	115.8	H165 I301	H165-G303 WeakPolarHBondContact O-CA 3.5Å; I301-G303 PolarHBondContact O-N 3.48Å
304	L	98.4	Very high	97.5	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	32%	0.322	C	S	.	.	S	Bend	trans	-76.8	146.3	-176.6	-62.5	-172.4	0	0	0	112.1	C164 V239 L242 I301 E308 F312	C164-L304 HydrophobicContact CB-CD2 3.85Å; V239-L304 HydrophobicContact CG1-CD1 4.27Å; V239-L304 HydrophobicContact CG2-CD2 4.02Å; L242-L304 HydrophobicContact CD2-CD1 4.39Å; I301-L304 HydrophobicContact CB-CD1 3.91Å; I301-L304 HydrophobicContact CB-CG 4.25Å; I301-L304 HydrophobicContact CG2-CD1 3.93Å; I301-L304 WeakPolarHBondContact O-CB 3.25Å; I301-L304 PolarHBondContact O-N 3.48Å; I301-L304 VanDerWaalsContact O-N 3.12Å; L304-E308 HydrophobicContact CB-CB 3.98Å; L304-E308 HydrophobicContact CD1-CB 4.36Å; L304-E308 HydrophobicContact CD2-CB 4.42Å; L304-E308 HydrophobicContact CG-CB 4.49Å; L304-F312 HydrophobicContact CD1-CB 4.1Å; L304-F312 HydrophobicContact CD1-CD2 4.44Å; L304-F312 HydrophobicContact CD1-CG 4.34Å
305	T	98.2	Very high	97.6	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.442	30%	0.295	S	S	.	.			trans	-67.2	157	170.6	67.8	0	0	0	0	111	N307 E308 S309	T305-N307 PolarHBondContact O-N 3.07Å; T305-E308 WeakPolarHBondContact CB-OE2 3.45Å; T305-E308 VanDerWaalsContact CG2-OE2 3.23Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.31Å; T305-E308 PolarHBondContact N-OE2 2.99Å; T305-E308 PolarHBondContact O-N 3.21Å; T305-E308 VanDerWaalsContact OG1-CD 3.3Å; T305-E308 WeakPolarHBondContact OG1-CG 3.26Å; T305-E308 PolarHBondContact OG1-OE2 3.01Å; T305-S309 PolarHBondContact O-N 3.39Å; T305-S309 PolarHBondContact O-OG 2.82Å
306	P	97.9	Very high	97.8	Very high	95 Å²	95	54.4 Å²	54.4	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-56.1	-23.2	-179.9	-28.3	35.9	0	0	0	115	R310	P306-R310 VanDerWaalsContact C-NH1 3.26Å; P306-R310 WeakPolarHBondContact O-CG 3.36Å; P306-R310 PolarHBondContact O-N 2.74Å; P306-R310 PolarHBondContact O-NH1 2.79Å
307	N	97.5	Very high	98	Very high	104 Å²	104	52.1 Å²	52.1	56%	0.556	27%	0.271	S	S	*	.	H	α-helix	trans	-76.6	-46.4	174.7	-70.2	-7.8	0	0	0	111.1	T305 R310 H311	T305-N307 PolarHBondContact O-N 3.07Å; N307-R310 PolarHBondContact O-N 2.8Å; N307-R310 PolarHBondContact OD1-NH1 2.71Å; N307-R310 VanDerWaalsContact OD1-NH1 3.1Å; N307-R310 PolarHBondContact OD1-NH2 3.06Å; N307-H311 PolarHBondContact O-N 3.29Å
308	E	97.5	Very high	98	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-39.1	176.8	-66.9	160.2	136.2	0	0	111.5	V239 L304 T305 R310 H311 F312	V239-E308 HydrophobicContact CG1-CB 4.43Å; V239-E308 HydrophobicContact CG2-CB 4.18Å; V239-E308 HydrophobicContact CG2-CG 4.05Å; L304-E308 HydrophobicContact CB-CB 3.98Å; L304-E308 HydrophobicContact CD1-CB 4.36Å; L304-E308 HydrophobicContact CD2-CB 4.42Å; L304-E308 HydrophobicContact CG-CB 4.49Å; T305-E308 WeakPolarHBondContact CB-OE2 3.45Å; T305-E308 VanDerWaalsContact CG2-OE2 3.23Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.31Å; T305-E308 PolarHBondContact N-OE2 2.99Å; T305-E308 PolarHBondContact O-N 3.21Å; T305-E308 VanDerWaalsContact OG1-CD 3.3Å; T305-E308 WeakPolarHBondContact OG1-CG 3.26Å; T305-E308 PolarHBondContact OG1-OE2 3.01Å; E308-R310 VanDerWaalsContact C-N 3.26Å; E308-R310 PolarHBondContact O-N 3.01Å; E308-H311 PolarHBondContact O-N 3.28Å; E308-F312 VanDerWaalsContact O-CB 3.23Å; E308-F312 WeakPolarHBondContact O-CB 3.41Å; E308-F312 PolarHBondContact O-N 3.49Å
309	S	98.2	Very high	98	Very high	35 Å²	35	51.2 Å²	51.2	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-33.9	173.7	-39.1	0	0	0	0	112.5	T305 R313	T305-S309 PolarHBondContact O-N 3.39Å; T305-S309 PolarHBondContact O-OG 2.82Å; S309-R313 WeakPolarHBondContact O-CB 3.28Å; S309-R313 PolarHBondContact O-N 2.93Å
310	R	97.7	Very high	98.1	Very high	153 Å²	153	49.3 Å²	49.3	58%	0.577	25%	0.25	S	S	*	.	H	α-helix	trans	-74.6	-39	175.3	-71.3	-169.9	-41	-86.5	8.8	112.1	P306 N307 E308 R314	P306-R310 VanDerWaalsContact C-NH1 3.26Å; P306-R310 WeakPolarHBondContact O-CG 3.36Å; P306-R310 PolarHBondContact O-N 2.74Å; P306-R310 PolarHBondContact O-NH1 2.79Å; N307-R310 PolarHBondContact O-N 2.8Å; N307-R310 PolarHBondContact OD1-NH1 2.71Å; N307-R310 VanDerWaalsContact OD1-NH1 3.1Å; N307-R310 PolarHBondContact OD1-NH2 3.06Å; E308-R310 VanDerWaalsContact C-N 3.26Å; E308-R310 PolarHBondContact O-N 3.01Å; R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 PolarHBondContact O-N 2.89Å
311	H	96.7	Very high	98.1	Very high	59 Å²	59	51.4 Å²	51.4	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-55.9	172.1	180	57.4	0	0	0	110.6	D240 N307 E308 R313 R314 S315	D240-H311 IonicContact OD1-CD2 3.75Å; D240-H311 IonicContact OD1-CE1 3.25Å; D240-H311 IonicContact OD1-NE2 3.11Å; D240-H311 PolarHBondContact OD1-NE2 2.52Å; N307-H311 PolarHBondContact O-N 3.29Å; E308-H311 PolarHBondContact O-N 3.28Å; H311-R313 VanDerWaalsContact C-N 3.3Å; H311-R313 PolarHBondContact O-N 2.73Å; H311-R314 PolarHBondContact O-N 3.15Å; H311-S315 PolarHBondContact CE1-OG 2.95Å; H311-S315 VanDerWaalsContact CE1-OG 3.24Å; H311-S315 PolarHBondContact ND1-OG 3.11Å; H311-S315 WeakPolarHBondContact O-CB 3.4Å; H311-S315 PolarHBondContact O-N 2.99Å; H311-S315 PolarHBondContact O-OG 3.32Å
312	F	98.4	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-47	-51.2	173.6	178.3	-86.7	0	0	0	111.7	V239 L242 I243 F246 F289 I292 I301 L304 E308 S315 V316	V239-F312 HydrophobicContact CG1-CB 4.28Å; L242-F312 HydrophobicContact CD2-CD2 4.36Å; L242-F312 HydrophobicContact CD2-CE2 4.24Å; L242-F312 HydrophobicContact CG-CD2 4.45Å; L242-F312 HydrophobicContact CG-CE2 4.05Å; I243-F312 HydrophobicContact CG1-CB 4.4Å; I243-F312 HydrophobicContact CG1-CD2 3.75Å; I243-F312 HydrophobicContact CG1-CE2 4.42Å; I243-F312 HydrophobicContact CG1-CG 4.35Å; F246-F312 HydrophobicContact CB-CE2 4.04Å; F246-F312 HydrophobicContact CB-CZ 4.02Å; F246-F312 HydrophobicContact CD1-CE1 4.42Å; F246-F312 HydrophobicContact CD1-CE2 4.45Å; F246-F312 AromaticContact CD1-CZ 3.68Å; F246-F312 HydrophobicContact CD1-CZ 3.68Å; F246-F312 AromaticContact CD2-CZ 3.83Å; F246-F312 HydrophobicContact CD2-CZ 3.83Å; F246-F312 HydrophobicContact CE1-CE1 4.44Å; F246-F312 HydrophobicContact CE1-CZ 4.07Å; F246-F312 HydrophobicContact CE2-CZ 4.17Å; F246-F312 HydrophobicContact CG-CE2 4.11Å; F246-F312 AromaticContact CG-CZ 3.56Å; F246-F312 HydrophobicContact CG-CZ 3.56Å; F246-F312 HydrophobicContact CZ-CZ 4.29Å; F289-F312 HydrophobicContact CE1-CD1 4.37Å; F289-F312 HydrophobicContact CE1-CE1 4.05Å; F289-F312 HydrophobicContact CZ-CE1 4.35Å; I292-F312 HydrophobicContact CD1-CE1 4.21Å; I301-F312 HydrophobicContact CD1-CD1 3.98Å; I301-F312 HydrophobicContact CD1-CE1 4.04Å; I301-F312 HydrophobicContact CG2-CD1 3.8Å; I301-F312 HydrophobicContact CG2-CD2 4Å; I301-F312 HydrophobicContact CG2-CE1 3.57Å; I301-F312 HydrophobicContact CG2-CE2 3.78Å; I301-F312 HydrophobicContact CG2-CG 4.01Å; I301-F312 HydrophobicContact CG2-CZ 3.55Å; L304-F312 HydrophobicContact CD1-CB 4.1Å; L304-F312 HydrophobicContact CD1-CD2 4.44Å; L304-F312 HydrophobicContact CD1-CG 4.34Å; E308-F312 VanDerWaalsContact O-CB 3.23Å; E308-F312 WeakPolarHBondContact O-CB 3.41Å; E308-F312 PolarHBondContact O-N 3.49Å; F312-S315 PolarHBondContact O-N 3.18Å; F312-V316 HydrophobicContact CD1-CG2 4.18Å; F312-V316 HydrophobicContact CD2-CG2 4.16Å; F312-V316 HydrophobicContact CE1-CG2 3.87Å; F312-V316 HydrophobicContact CE2-CG2 3.84Å; F312-V316 HydrophobicContact CG-CG2 4.32Å; F312-V316 HydrophobicContact CZ-CG2 3.7Å; F312-V316 WeakPolarHBondContact O-CB 3.42Å; F312-V316 VanDerWaalsContact O-CG2 3.29Å; F312-V316 WeakPolarHBondContact O-CG2 3.38Å; F312-V316 PolarHBondContact O-N 2.76Å
313	R	98.5	Very high	98.2	Very high	125 Å²	125	46.9 Å²	46.9	47%	0.472	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-44.6	179.1	-177.6	167.6	176.6	76.8	0.2	113	F289 S309 H311 I317	F289-R313 VanDerWaalsContact CD2-NH1 3.26Å; F289-R313 HydrophobicContact CE1-CB 4.25Å; F289-R313 HydrophobicContact CE1-CG 4.04Å; F289-R313 HydrophobicContact CE2-CG 4.49Å; F289-R313 HydrophobicContact CZ-CB 4.2Å; F289-R313 HydrophobicContact CZ-CG 3.87Å; S309-R313 WeakPolarHBondContact O-CB 3.28Å; S309-R313 PolarHBondContact O-N 2.93Å; H311-R313 VanDerWaalsContact C-N 3.3Å; H311-R313 PolarHBondContact O-N 2.73Å; R313-I317 HydrophobicContact CG-CD1 3.77Å; R313-I317 WeakPolarHBondContact O-CB 3.45Å; R313-I317 WeakPolarHBondContact O-CD1 3.14Å; R313-I317 WeakPolarHBondContact O-CG1 3.19Å; R313-I317 PolarHBondContact O-N 3.39Å
314	R	98	Very high	98.3	Very high	84 Å²	84	46.4 Å²	46.4	32%	0.317	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-47.7	176.9	-178.6	-175.2	-176.9	90.7	-7.2	111	R310 H311 R318 S391 E504 L507	R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 PolarHBondContact O-N 2.89Å; H311-R314 PolarHBondContact O-N 3.15Å; R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 2.93Å; R314-S391 PolarHBondContact NH1-OG 3.1Å; R314-S391 PolarHBondContact NH2-OG 3.39Å; R314-E504 IonicContact CZ-OE1 3.46Å; R314-E504 IonicContact NE-OE1 3.75Å; R314-E504 PolarHBondContact NE-OE1 3.45Å; R314-E504 IonicContact NH2-OE1 3.8Å; R314-E504 PolarHBondContact NH2-OE1 2.82Å; R314-E504 IonicContact NH2-OE2 3.73Å; R314-L507 HydrophobicContact CG-CD1 4.37Å
315	S	98.3	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.7	-43.6	-172.9	-52.7	0	0	0	0	112.2	I243 H311 F312 I317 R318 C319 L507	I243-S315 VanDerWaalsContact CD1-CB 3.44Å; H311-S315 PolarHBondContact CE1-OG 2.95Å; H311-S315 VanDerWaalsContact CE1-OG 3.24Å; H311-S315 PolarHBondContact ND1-OG 3.11Å; H311-S315 WeakPolarHBondContact O-CB 3.4Å; H311-S315 PolarHBondContact O-N 2.99Å; H311-S315 PolarHBondContact O-OG 3.32Å; F312-S315 PolarHBondContact O-N 3.18Å; S315-I317 VanDerWaalsContact C-N 3.35Å; S315-I317 PolarHBondContact O-N 2.72Å; S315-R318 PolarHBondContact O-N 3.04Å; S315-C319 WeakPolarHBondContact O-CB 3.48Å; S315-C319 PolarHBondContact O-N 3.5Å; S315-C319 PolarHBondContact O-SG 3.19Å; S315-L507 WeakPolarHBondContact OG-CD2 3.39Å
316	V	98.8	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41	174.7	168.4	0	0	0	0	111.8	I243 F246 F289 F312 C319 I320	I243-V316 HydrophobicContact CB-CG2 4.41Å; I243-V316 HydrophobicContact CG1-CG2 4.26Å; I243-V316 HydrophobicContact CG2-CG2 4.14Å; F246-V316 HydrophobicContact CD1-CB 4.44Å; F246-V316 HydrophobicContact CD1-CG1 3.69Å; F246-V316 HydrophobicContact CD1-CG2 3.81Å; F246-V316 HydrophobicContact CE1-CG1 3.68Å; F246-V316 HydrophobicContact CE1-CG2 4.44Å; F289-V316 HydrophobicContact CE2-CB 4.38Å; F289-V316 HydrophobicContact CE2-CG1 3.83Å; F289-V316 HydrophobicContact CZ-CB 4.01Å; F289-V316 HydrophobicContact CZ-CG1 3.81Å; F312-V316 HydrophobicContact CD1-CG2 4.18Å; F312-V316 HydrophobicContact CD2-CG2 4.16Å; F312-V316 HydrophobicContact CE1-CG2 3.87Å; F312-V316 HydrophobicContact CE2-CG2 3.84Å; F312-V316 HydrophobicContact CG-CG2 4.32Å; F312-V316 HydrophobicContact CZ-CG2 3.7Å; F312-V316 WeakPolarHBondContact O-CB 3.42Å; F312-V316 VanDerWaalsContact O-CG2 3.29Å; F312-V316 WeakPolarHBondContact O-CG2 3.38Å; F312-V316 PolarHBondContact O-N 2.76Å; V316-C319 PolarHBondContact O-N 3.06Å; V316-I320 HydrophobicContact CG1-CD1 3.8Å; V316-I320 HydrophobicContact CG1-CG1 4.39Å; V316-I320 WeakPolarHBondContact O-CG1 3.48Å; V316-I320 PolarHBondContact O-N 2.73Å
317	I	98.8	Very high	98.1	Very high	52 Å²	52	47.4 Å²	47.4	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-47.5	174.1	-67.9	167.5	0	0	0	110.4	F289 R313 S315 C319 L321	F289-I317 HydrophobicContact CE2-CD1 4.4Å; F289-I317 HydrophobicContact CE2-CG1 3.78Å; F289-I317 HydrophobicContact CZ-CG1 4.44Å; R313-I317 HydrophobicContact CG-CD1 3.77Å; R313-I317 WeakPolarHBondContact O-CB 3.45Å; R313-I317 WeakPolarHBondContact O-CD1 3.14Å; R313-I317 WeakPolarHBondContact O-CG1 3.19Å; R313-I317 PolarHBondContact O-N 3.39Å; S315-I317 VanDerWaalsContact C-N 3.35Å; S315-I317 PolarHBondContact O-N 2.72Å; I317-C319 PolarHBondContact O-N 2.81Å; I317-L321 HydrophobicContact CG2-CD1 3.73Å; I317-L321 HydrophobicContact CG2-CG 4.29Å; I317-L321 VanDerWaalsContact O-CB 3.3Å; I317-L321 WeakPolarHBondContact O-CB 3.43Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.49Å; I317-L321 PolarHBondContact O-N 3.24Å
318	R	98.4	Very high	98.1	Very high	43 Å²	43	43.3 Å²	43.3	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.5	177.8	-80.4	-77.1	-178.4	80.8	-8.2	112.7	R314 S315 S322 E504 L507 M511	R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 2.93Å; S315-R318 PolarHBondContact O-N 3.04Å; R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.39Å; R318-S322 PolarHBondContact O-N 3.44Å; R318-S322 VanDerWaalsContact O-N 3.12Å; R318-S322 PolarHBondContact O-OG 3.46Å; R318-E504 IonicContact CZ-OE2 3.55Å; R318-E504 IonicContact NH1-OE2 2.69Å; R318-E504 PolarHBondContact NH1-OE2 2.89Å; R318-E504 IonicContact NH2-OE2 2.69Å; R318-L507 HydrophobicContact CG-CD1 4.45Å; R318-M511 HydrophobicContact CB-CG 4.47Å; R318-M511 HydrophobicContact CB-SD 4.24Å
319	C	98.7	Very high	98.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-53.4	178.1	-71.1	0	0	0	0	111.9	S315 V316 I317 S322 T323 L514	S315-C319 WeakPolarHBondContact O-CB 3.48Å; S315-C319 PolarHBondContact O-N 3.5Å; S315-C319 PolarHBondContact O-SG 3.19Å; V316-C319 PolarHBondContact O-N 3.06Å; I317-C319 PolarHBondContact O-N 2.81Å; C319-S322 WeakPolarHBondContact O-CA 3.49Å; C319-S322 WeakPolarHBondContact O-CB 3.42Å; C319-S322 PolarHBondContact O-N 3.05Å; C319-S322 PolarHBondContact O-OG 3.33Å; C319-T323 PolarHBondContact O-N 3.07Å; C319-L514 HydrophobicContact CB-CD2 3.78Å
320	I	98.8	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-44.6	-178.1	-63	176.2	0	0	0	110.8	H251 H284 C285 A288 V316 S322 T323	H251-I320 HydrophobicContact CB-CG1 4.37Å; H284-I320 HydrophobicContact CB-CG2 4.18Å; C285-I320 HydrophobicContact CB-CB 4.16Å; C285-I320 HydrophobicContact CB-CD1 4.34Å; C285-I320 HydrophobicContact CB-CG2 3.85Å; A288-I320 HydrophobicContact CB-CD1 4.25Å; V316-I320 HydrophobicContact CG1-CD1 3.8Å; V316-I320 HydrophobicContact CG1-CG1 4.39Å; V316-I320 WeakPolarHBondContact O-CG1 3.48Å; V316-I320 PolarHBondContact O-N 2.73Å; I320-S322 PolarHBondContact O-N 3.37Å; I320-S322 VanDerWaalsContact O-N 3.12Å; I320-T323 PolarHBondContact O-N 3.44Å; I320-T323 VanDerWaalsContact O-N 3.07Å; I320-T323 PolarHBondContact O-OG1 2.95Å
321	L	98.7	Very high	98	Very high	43 Å²	43	40.3 Å²	40.3	23%	0.225	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-19.2	174.7	-64.9	-178.8	0	0	0	113.2	E281 N282 I317 I327	E281-L321 HydrophobicContact CB-CD2 3.95Å; N282-L321 HydrophobicContact CB-CD2 4.33Å; I317-L321 HydrophobicContact CG2-CD1 3.73Å; I317-L321 HydrophobicContact CG2-CG 4.29Å; I317-L321 VanDerWaalsContact O-CB 3.3Å; I317-L321 WeakPolarHBondContact O-CB 3.43Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.49Å; I317-L321 PolarHBondContact O-N 3.24Å; L321-I327 WeakPolarHBondContact O-CD1 3.46Å
322	S	98.4	Very high	98.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9	174.5	76.8	0	0	0	0	114.8	R318 C319 I320 D324 M511 K515	R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.39Å; R318-S322 PolarHBondContact O-N 3.44Å; R318-S322 VanDerWaalsContact O-N 3.12Å; R318-S322 PolarHBondContact O-OG 3.46Å; C319-S322 WeakPolarHBondContact O-CA 3.49Å; C319-S322 WeakPolarHBondContact O-CB 3.42Å; C319-S322 PolarHBondContact O-N 3.05Å; C319-S322 PolarHBondContact O-OG 3.33Å; I320-S322 PolarHBondContact O-N 3.37Å; I320-S322 VanDerWaalsContact O-N 3.12Å; S322-D324 VanDerWaalsContact C-N 3.27Å; S322-D324 PolarHBondContact O-N 2.89Å; S322-M511 WeakPolarHBondContact OG-CB 3.43Å; S322-K515 WeakPolarHBondContact O-CD 3.3Å; S322-K515 WeakPolarHBondContact O-CE 3.46Å; S322-K515 WeakPolarHBondContact O-CG 3.35Å; S322-K515 PolarHBondContact O-NZ 2.97Å
323	T	98.7	Very high	98	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.4	175	56.9	0	0	0	0	111.8	H251 C319 I320 M325 L514 K515 D518	H251-T323 HydrophobicContact CB-CG2 3.98Å; C319-T323 PolarHBondContact O-N 3.07Å; I320-T323 PolarHBondContact O-N 3.44Å; I320-T323 VanDerWaalsContact O-N 3.07Å; I320-T323 PolarHBondContact O-OG1 2.95Å; T323-M325 PolarHBondContact O-N 3.27Å; T323-L514 HydrophobicContact CG2-CD2 3.94Å; T323-L514 HydrophobicContact CG2-CG 4.12Å; T323-K515 VanDerWaalsContact C-NZ 3.28Å; T323-K515 PolarHBondContact O-NZ 2.95Å; T323-D518 WeakPolarHBondContact CB-OD2 3.49Å; T323-D518 WeakPolarHBondContact CG2-OD2 3.2Å
324	D	98.7	Very high	97.8	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.07	21%	0.209	C	C	.	.			trans	-46.2	125	173.3	-170.2	-11.5	0	0	0	111.4	S278 E281 S322 A326 I327 K515	S278-D324 VanDerWaalsContact CB-OD2 3.31Å; S278-D324 WeakPolarHBondContact CB-OD2 3.33Å; S278-D324 PolarHBondContact OG-OD2 3.21Å; E281-D324 HydrophobicContact CG-CB 3.92Å; E281-D324 WeakPolarHBondContact OE1-CA 3.39Å; E281-D324 WeakPolarHBondContact OE1-CB 3.46Å; S322-D324 VanDerWaalsContact C-N 3.27Å; S322-D324 PolarHBondContact O-N 2.89Å; D324-A326 VanDerWaalsContact OD1-CB 3.26Å; D324-A326 WeakPolarHBondContact OD1-CB 3.32Å; D324-A326 PolarHBondContact OD1-N 3.34Å; D324-I327 HydrophobicContact CB-CG1 4.28Å; D324-K515 PolarHBondContact O-NZ 2.92Å
325	M	97.4	Very high	97.7	Very high	73 Å²	73	34.1 Å²	34.1	36%	0.36	19%	0.194	S	C	.	.	S	Bend	trans	-80.8	-16.8	-177.9	-70.4	-58.4	-63.2	0	0	112.8	T323 I327 H328 K515 I519 I576	T323-M325 PolarHBondContact O-N 3.27Å; M325-I327 PolarHBondContact O-N 2.89Å; M325-H328 HydrophobicContact CE-CB 3.89Å; M325-H328 VanDerWaalsContact O-CB 3.31Å; M325-H328 WeakPolarHBondContact O-CB 3.44Å; M325-H328 PolarHBondContact O-N 3.14Å; M325-H328 HydrophobicContact SD-CB 4.29Å; M325-K515 PolarHBondContact SD-NZ 3.32Å; M325-K515 VanDerWaalsContact SD-NZ 3.44Å; M325-I519 HydrophobicContact SD-CG2 4.35Å; M325-I576 HydrophobicContact CE-CD1 3.96Å; M325-I576 HydrophobicContact CE-CG2 3.52Å
326	A	97.4	Very high	97.6	Very high	79 Å²	79	37.2 Å²	37.2	65%	0.653	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.7	171.3	0	0	0	0	0	112.4	D324	D324-A326 VanDerWaalsContact OD1-CB 3.26Å; D324-A326 WeakPolarHBondContact OD1-CB 3.32Å; D324-A326 PolarHBondContact OD1-N 3.34Å
327	I	96.8	Very high	97.5	Very high	52 Å²	52	40.1 Å²	40.1	27%	0.267	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	15.7	177.7	68.1	168.9	0	0	0	113.9	L321 D324 M325 S329 E330 C331	L321-I327 WeakPolarHBondContact O-CD1 3.46Å; D324-I327 HydrophobicContact CB-CG1 4.28Å; M325-I327 PolarHBondContact O-N 2.89Å; I327-S329 VanDerWaalsContact C-N 3.33Å; I327-S329 PolarHBondContact O-N 3.39Å; I327-E330 PolarHBondContact O-N 3.43Å; I327-C331 PolarHBondContact O-N 3.43Å; I327-C331 PolarHBondContact O-SG 2.91Å
328	H	97.8	Very high	97.2	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-55.4	-46.2	177.5	173.5	96	0	0	0	112.2	M325 C331 L332 I576	M325-H328 HydrophobicContact CE-CB 3.89Å; M325-H328 VanDerWaalsContact O-CB 3.31Å; M325-H328 WeakPolarHBondContact O-CB 3.44Å; M325-H328 PolarHBondContact O-N 3.14Å; M325-H328 HydrophobicContact SD-CB 4.29Å; H328-C331 PolarHBondContact O-N 3.43Å; H328-L332 WeakPolarHBondContact O-CB 3.19Å; H328-L332 PolarHBondContact O-N 3.01Å; H328-I576 VanDerWaalsContact CE1-CG2 3.49Å; H328-I576 WeakPolarHBondContact CE1-CG2 3.23Å
329	S	97.2	Very high	97	Very high	85 Å²	85	36 Å²	36	59%	0.594	21%	0.208	S	C	*	.	H	α-helix	trans	-65.4	-37.9	-178.8	53.1	0	0	0	0	112.7	I327 S333	I327-S329 VanDerWaalsContact C-N 3.33Å; I327-S329 PolarHBondContact O-N 3.39Å; S329-S333 VanDerWaalsContact O-CB 3.27Å; S329-S333 WeakPolarHBondContact O-CB 3.44Å; S329-S333 PolarHBondContact O-N 3.29Å
330	E	97.1	Very high	96.8	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-49.3	174	-168	-172	156.3	0	0	110.6	I327 L332 S333 Q334	I327-E330 PolarHBondContact O-N 3.43Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.2Å; E330-S333 PolarHBondContact O-N 2.73Å; E330-Q334 HydrophobicContact CG-CG 4.37Å; E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.18Å; E330-Q334 PolarHBondContact O-N 2.78Å; E330-Q334 PolarHBondContact OE1-NE2 2.69Å
331	C	97.2	Very high	96.6	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-47	178.2	-65.3	0	0	0	0	111.6	I327 H328 Q334 F335 I512 K515	I327-C331 PolarHBondContact O-N 3.43Å; I327-C331 PolarHBondContact O-SG 2.91Å; H328-C331 PolarHBondContact O-N 3.43Å; C331-Q334 PolarHBondContact O-N 3.49Å; C331-F335 PolarHBondContact O-N 3.4Å; C331-I512 HydrophobicContact CB-CD1 3.96Å; C331-K515 HydrophobicContact CB-CD 4.13Å
332	L	96.9	Very high	96.3	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.1	-174.5	65.7	0	0	0	111.5	H328 E330 F335 Q336 L580 E583	H328-L332 WeakPolarHBondContact O-CB 3.19Å; H328-L332 PolarHBondContact O-N 3.01Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.2Å; L332-F335 PolarHBondContact O-N 2.75Å; L332-Q336 WeakPolarHBondContact O-CG 3.2Å; L332-Q336 PolarHBondContact O-N 3.1Å; L332-L580 HydrophobicContact CD1-CD1 3.8Å; L332-E583 HydrophobicContact CD1-CB 4.27Å; L332-E583 HydrophobicContact CD1-CG 3.85Å
333	S	97.2	Very high	96	Very high	65 Å²	65	41.8 Å²	41.8	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-44.7	176.6	179.2	0	0	0	0	112.1	S329 E330 F335 Q336 V337	S329-S333 VanDerWaalsContact O-CB 3.27Å; S329-S333 WeakPolarHBondContact O-CB 3.44Å; S329-S333 PolarHBondContact O-N 3.29Å; E330-S333 PolarHBondContact O-N 2.73Å; S333-F335 PolarHBondContact O-N 2.76Å; S333-Q336 PolarHBondContact O-N 2.96Å; S333-V337 PolarHBondContact O-N 2.77Å; S333-V337 VanDerWaalsContact O-N 3.1Å
334	Q	95.4	Very high	95.7	Very high	49 Å²	49	45 Å²	45	23%	0.229	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-32	176	-76.4	-166.8	29.3	0	0	112.7	E330 C331 R508	E330-Q334 HydrophobicContact CG-CG 4.37Å; E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.18Å; E330-Q334 PolarHBondContact O-N 2.78Å; E330-Q334 PolarHBondContact OE1-NE2 2.69Å; C331-Q334 PolarHBondContact O-N 3.49Å; Q334-R508 HydrophobicContact CB-CG 4.27Å; Q334-R508 PolarHBondContact O-NH1 2.95Å
335	F	95.2	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-84	-34.2	176.8	-174.9	-94.6	0	0	0	113.5	C331 L332 S333 V337 L338 R339 L509 I512 E583 L584 I587	C331-F335 PolarHBondContact O-N 3.4Å; L332-F335 PolarHBondContact O-N 2.75Å; S333-F335 PolarHBondContact O-N 2.76Å; F335-V337 PolarHBondContact O-N 2.95Å; F335-L338 HydrophobicContact CD2-CD2 4.13Å; F335-L338 HydrophobicContact CE2-CD2 4.07Å; F335-L338 CarbonylContact O-C 3.57Å; F335-L338 WeakPolarHBondContact O-CA 3.49Å; F335-L338 WeakPolarHBondContact O-CB 3.47Å; F335-L338 PolarHBondContact O-N 2.97Å; F335-R339 PolarHBondContact O-N 2.89Å; F335-L509 HydrophobicContact CE2-CD1 4Å; F335-I512 HydrophobicContact CB-CD1 4.16Å; F335-I512 HydrophobicContact CB-CG1 3.63Å; F335-I512 HydrophobicContact CD1-CG2 4.49Å; F335-I512 HydrophobicContact CD2-CB 4.07Å; F335-I512 HydrophobicContact CD2-CG1 3.76Å; F335-I512 HydrophobicContact CD2-CG2 4.44Å; F335-I512 HydrophobicContact CE2-CB 4.43Å; F335-I512 HydrophobicContact CG-CB 4.32Å; F335-I512 HydrophobicContact CG-CG1 3.72Å; F335-I512 HydrophobicContact CG-CG2 4.41Å; F335-E583 HydrophobicContact CD1-CB 4.17Å; F335-E583 HydrophobicContact CE1-CB 4.2Å; F335-L584 HydrophobicContact CE1-CD2 4.23Å; F335-L584 HydrophobicContact CE2-CD2 4.25Å; F335-L584 HydrophobicContact CZ-CD2 3.68Å; F335-I587 HydrophobicContact CE1-CD1 4.31Å; F335-I587 HydrophobicContact CE2-CD1 4.36Å; F335-I587 HydrophobicContact CZ-CD1 3.75Å
336	Q	96.4	Very high	95	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-35.5	170	-80.5	174.7	-24.9	0	0	111.9	L332 S333 R339 K340 E583	L332-Q336 WeakPolarHBondContact O-CG 3.2Å; L332-Q336 PolarHBondContact O-N 3.1Å; S333-Q336 PolarHBondContact O-N 2.96Å; Q336-R339 PolarHBondContact O-N 3.32Å; Q336-K340 WeakPolarHBondContact O-CG 3.27Å; Q336-K340 PolarHBondContact O-N 3.2Å; Q336-E583 HydrophobicContact CG-CG 4.12Å; Q336-E583 WeakPolarHBondContact CG-OE1 3.37Å; Q336-E583 WeakPolarHBondContact CG-OE2 3.2Å; Q336-E583 PolarHBondContact NE2-OE1 3.22Å
337	V	95.7	Very high	94.6	Very high	61 Å²	61	42.2 Å²	42.2	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-46.3	169.8	173.6	0	0	0	0	111.3	S333 F335 K340 Q341	S333-V337 PolarHBondContact O-N 2.77Å; S333-V337 VanDerWaalsContact O-N 3.1Å; F335-V337 PolarHBondContact O-N 2.95Å; V337-K340 PolarHBondContact O-N 3.23Å; V337-Q341 WeakPolarHBondContact O-CG 3.45Å; V337-Q341 PolarHBondContact O-N 3.43Å
338	L	93.9	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-46.4	175.4	171.2	56.3	0	0	0	111.7	F335 K340 Q341 V342 L495 Y505 L509 I587	F335-L338 HydrophobicContact CD2-CD2 4.13Å; F335-L338 HydrophobicContact CE2-CD2 4.07Å; F335-L338 CarbonylContact O-C 3.57Å; F335-L338 WeakPolarHBondContact O-CA 3.49Å; F335-L338 WeakPolarHBondContact O-CB 3.47Å; F335-L338 PolarHBondContact O-N 2.97Å; L338-K340 PolarHBondContact O-N 2.99Å; L338-Q341 PolarHBondContact O-N 3.39Å; L338-V342 HydrophobicContact CD1-CG2 3.84Å; L338-V342 HydrophobicContact CG-CG2 4.45Å; L338-V342 WeakPolarHBondContact O-CG2 3.49Å; L338-V342 PolarHBondContact O-N 3.01Å; L338-L495 HydrophobicContact CD1-CD1 4.08Å; L338-L495 HydrophobicContact CD2-CD1 4.29Å; L338-L495 HydrophobicContact CG-CD1 4.5Å; L338-Y505 HydrophobicContact CB-CD1 3.91Å; L338-Y505 HydrophobicContact CB-CE1 4.35Å; L338-Y505 HydrophobicContact CD1-CD1 3.66Å; L338-Y505 HydrophobicContact CD1-CD2 4.44Å; L338-Y505 HydrophobicContact CD1-CE1 4.35Å; L338-Y505 HydrophobicContact CD1-CG 3.75Å; L338-Y505 HydrophobicContact CD2-CD1 4.4Å; L338-Y505 HydrophobicContact CG-CD1 4.18Å; L338-L509 HydrophobicContact CD2-CB 4.35Å; L338-I587 HydrophobicContact CG-CD1 4.44Å
339	R	93	Very high	93.2	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.038	24%	0.238	C	C	.	.	H	α-helix	trans	-54.7	-49.7	174	173.9	175.4	64.4	110.5	-22.8	111.6	F335 Q336 Q341 V342 Y343 N480 Y483 E583 Y586 I587	F335-R339 PolarHBondContact O-N 2.89Å; Q336-R339 PolarHBondContact O-N 3.32Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.23Å; R339-V342 PolarHBondContact O-N 3.35Å; R339-Y343 WeakPolarHBondContact O-CB 3.38Å; R339-Y343 PolarHBondContact O-N 2.86Å; R339-N480 PolarHBondContact NH1-OD1 3.42Å; R339-N480 PolarHBondContact NH2-OD1 3.47Å; R339-Y483 HydrophobicContact CG-CE1 3.86Å; R339-Y483 VanDerWaalsContact NH1-CZ 3.29Å; R339-Y483 PolarHBondContact NH1-OH 3.24Å; R339-Y483 VanDerWaalsContact NH1-OH 3.07Å; R339-E583 WeakPolarHBondContact CD-OE2 3.21Å; R339-E583 IonicContact CZ-OE1 2.99Å; R339-E583 IonicContact CZ-OE2 3.56Å; R339-E583 IonicContact NE-OE1 3.23Å; R339-E583 IonicContact NE-OE2 3.62Å; R339-E583 PolarHBondContact NE-OE2 3.31Å; R339-E583 IonicContact NH2-OE1 2.7Å; R339-E583 PolarHBondContact NH2-OE1 3.04Å; R339-E583 IonicContact NH2-OE2 3.89Å; R339-E583 PolarHBondContact NH2-OE2 2.95Å; R339-Y586 VanDerWaalsContact CD-CG 3.49Å; R339-I587 HydrophobicContact CB-CD1 4.4Å
340	K	95	Very high	92.2	Very high	74 Å²	74	42.9 Å²	42.9	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-40.2	179.6	-73.7	-175.1	178.7	-167	0	111.2	Q336 V337 L338 Y343 L344 D476	Q336-K340 WeakPolarHBondContact O-CG 3.27Å; Q336-K340 PolarHBondContact O-N 3.2Å; V337-K340 PolarHBondContact O-N 3.23Å; L338-K340 PolarHBondContact O-N 2.99Å; K340-Y343 PolarHBondContact O-N 3.37Å; K340-L344 VanDerWaalsContact O-CG 3.27Å; K340-L344 WeakPolarHBondContact O-CG 3.35Å; K340-L344 PolarHBondContact O-N 3.42Å; K340-D476 PolarHBondContact NZ-O 3.19Å
341	Q	94.9	Very high	90.8	Very high	78 Å²	78	43 Å²	43	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-68	-41.5	175.1	-64.5	-61.9	-2.4	0	0	113.3	V337 L338 R339 Y343 L344 N345 L498	V337-Q341 WeakPolarHBondContact O-CG 3.45Å; V337-Q341 PolarHBondContact O-N 3.43Å; L338-Q341 PolarHBondContact O-N 3.39Å; R339-Q341 VanDerWaalsContact C-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.23Å; Q341-Y343 VanDerWaalsContact C-N 3.29Å; Q341-Y343 PolarHBondContact O-N 2.83Å; Q341-L344 PolarHBondContact O-N 3.05Å; Q341-N345 VanDerWaalsContact O-CB 3.31Å; Q341-N345 WeakPolarHBondContact O-CB 3.32Å; Q341-N345 PolarHBondContact O-N 2.88Å; Q341-L498 HydrophobicContact CB-CD1 3.9Å; Q341-L498 HydrophobicContact CB-CD2 4.34Å
342	V	91.7	Very high	89.1	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-42.6	174.6	170	0	0	0	0	110.6	L338 R339 C346 I491 L495 L498 I587	L338-V342 HydrophobicContact CD1-CG2 3.84Å; L338-V342 HydrophobicContact CG-CG2 4.45Å; L338-V342 WeakPolarHBondContact O-CG2 3.49Å; L338-V342 PolarHBondContact O-N 3.01Å; R339-V342 PolarHBondContact O-N 3.35Å; V342-C346 PolarHBondContact O-N 3.3Å; V342-C346 PolarHBondContact O-SG 3Å; V342-I491 HydrophobicContact CG1-CG2 3.88Å; V342-L495 HydrophobicContact CG2-CB 4.27Å; V342-L495 HydrophobicContact CG2-CD1 4.06Å; V342-L498 HydrophobicContact CB-CD1 4.32Å; V342-L498 HydrophobicContact CG2-CD1 3.69Å; V342-I587 HydrophobicContact CG2-CD1 4.33Å
343	Y	91.8	Very high	87.1	Confident	9 Å²	9	52 Å²	52	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-48.5	176.8	-176.7	-98.7	0	0	0	112.8	R339 K340 Q341 N345 C346 Q347 I478 D482 Y483 I486	R339-Y343 WeakPolarHBondContact O-CB 3.38Å; R339-Y343 PolarHBondContact O-N 2.86Å; K340-Y343 PolarHBondContact O-N 3.37Å; Q341-Y343 VanDerWaalsContact C-N 3.29Å; Q341-Y343 PolarHBondContact O-N 2.83Å; Y343-N345 VanDerWaalsContact C-N 3.34Å; Y343-N345 PolarHBondContact O-N 3.26Å; Y343-C346 WeakPolarHBondContact O-CB 3.33Å; Y343-C346 PolarHBondContact O-N 2.81Å; Y343-Q347 HydrophobicContact CE1-CG 4.16Å; Y343-Q347 PolarHBondContact O-N 3.36Å; Y343-Q347 PolarHBondContact OH-NE2 2.82Å; Y343-I478 HydrophobicContact CD1-CG2 4.1Å; Y343-I478 HydrophobicContact CE1-CG2 3.61Å; Y343-D482 PolarHBondContact OH-OD2 3.23Å; Y343-Y483 AromaticContact CD2-CD1 3.68Å; Y343-Y483 HydrophobicContact CD2-CD1 3.68Å; Y343-Y483 HydrophobicContact CD2-CD2 4.28Å; Y343-Y483 AromaticContact CD2-CE1 3.4Å; Y343-Y483 HydrophobicContact CD2-CE1 3.4Å; Y343-Y483 VanDerWaalsContact CD2-CE1 3.4Å; Y343-Y483 HydrophobicContact CD2-CE2 4.02Å; Y343-Y483 HydrophobicContact CD2-CG 4.11Å; Y343-Y483 AromaticContact CD2-CZ 3.55Å; Y343-Y483 HydrophobicContact CE2-CD1 4.22Å; Y343-Y483 HydrophobicContact CE2-CD2 4.18Å; Y343-Y483 HydrophobicContact CE2-CE1 4.23Å; Y343-Y483 HydrophobicContact CE2-CE2 4.16Å; Y343-Y483 HydrophobicContact CE2-CG 4.18Å; Y343-Y483 AromaticContact CG-CE1 3.84Å; Y343-Y483 HydrophobicContact CG-CE1 3.84Å; Y343-Y483 HydrophobicContact CG-CE2 4.43Å; Y343-Y483 AromaticContact CG-CZ 3.74Å; Y343-I486 HydrophobicContact CD2-CD1 3.53Å; Y343-I486 HydrophobicContact CE2-CD1 3.43Å; Y343-I486 VanDerWaalsContact CE2-CD1 3.43Å
344	L	92.8	Very high	85	Confident	75 Å²	75	51.9 Å²	51.9	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-40.4	178.7	-68.9	165.2	0	0	0	111.9	K340 Q341 Q347 S348	K340-L344 VanDerWaalsContact O-CG 3.27Å; K340-L344 WeakPolarHBondContact O-CG 3.35Å; K340-L344 PolarHBondContact O-N 3.42Å; Q341-L344 PolarHBondContact O-N 3.05Å; L344-Q347 WeakPolarHBondContact O-CB 3.24Å; L344-Q347 PolarHBondContact O-N 3.44Å; L344-Q347 VanDerWaalsContact O-N 3.17Å; L344-S348 PolarHBondContact O-N 3.33Å; L344-S348 PolarHBondContact O-OG 3.45Å
345	N	91.4	Very high	82.9	Confident	29 Å²	29	52.3 Å²	52.3	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-41.7	176.2	-168.1	10.3	0	0	0	111.8	Q341 Y343 Q347 S348 L349 S494 L498	Q341-N345 VanDerWaalsContact O-CB 3.31Å; Q341-N345 WeakPolarHBondContact O-CB 3.32Å; Q341-N345 PolarHBondContact O-N 2.88Å; Y343-N345 VanDerWaalsContact C-N 3.34Å; Y343-N345 PolarHBondContact O-N 3.26Å; N345-Q347 VanDerWaalsContact C-N 3.31Å; N345-Q347 PolarHBondContact O-N 3.44Å; N345-S348 WeakPolarHBondContact CA-OG 3.49Å; N345-S348 PolarHBondContact O-N 2.98Å; N345-S348 PolarHBondContact O-OG 2.98Å; N345-L349 VanDerWaalsContact O-CG 3.31Å; N345-L349 WeakPolarHBondContact O-CG 3.34Å; N345-L349 PolarHBondContact O-N 3.43Å; N345-L349 VanDerWaalsContact O-N 3.07Å; N345-S494 PolarHBondContact ND2-O 3.23Å; N345-L498 HydrophobicContact CB-CD1 4.41Å
346	C	90.8	Very high	80.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-40.5	171	-71.7	0	0	0	0	112.6	V342 Y343 S350 I486 L490 S494	V342-C346 PolarHBondContact O-N 3.3Å; V342-C346 PolarHBondContact O-SG 3Å; Y343-C346 WeakPolarHBondContact O-CB 3.33Å; Y343-C346 PolarHBondContact O-N 2.81Å; C346-S350 WeakPolarHBondContact O-CB 3.41Å; C346-S350 PolarHBondContact O-N 3.46Å; C346-S350 VanDerWaalsContact O-N 3.1Å; C346-S350 PolarHBondContact O-OG 3.11Å; C346-I486 HydrophobicContact CB-CD1 3.94Å; C346-I486 HydrophobicContact CB-CG2 3.85Å; C346-L490 HydrophobicContact CB-CD2 4.24Å; C346-L490 HydrophobicContact CB-CG 4.2Å; C346-S494 PolarHBondContact SG-OG 3.2Å
347	Q	88.2	Confident	77.7	Confident	78 Å²	78	55.1 Å²	55.1	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-48	177.8	-72.3	-169.8	-26.4	0	0	111.8	Y343 L344 N345 L349 S350 I351	Y343-Q347 HydrophobicContact CE1-CG 4.16Å; Y343-Q347 PolarHBondContact O-N 3.36Å; Y343-Q347 PolarHBondContact OH-NE2 2.82Å; L344-Q347 WeakPolarHBondContact O-CB 3.24Å; L344-Q347 PolarHBondContact O-N 3.44Å; L344-Q347 VanDerWaalsContact O-N 3.17Å; N345-Q347 VanDerWaalsContact C-N 3.31Å; N345-Q347 PolarHBondContact O-N 3.44Å; Q347-L349 PolarHBondContact O-N 3.15Å; Q347-S350 WeakPolarHBondContact O-CB 3.4Å; Q347-S350 PolarHBondContact O-N 3.2Å; Q347-S350 VanDerWaalsContact O-N 3.16Å; Q347-I351 WeakPolarHBondContact O-CG1 3.23Å; Q347-I351 PolarHBondContact O-N 2.94Å; Q347-I351 VanDerWaalsContact O-N 3.12Å
348	S	86.8	Confident	75.2	Confident	53 Å²	53	57 Å²	57	37%	0.371	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-47.3	176.8	37.8	0	0	0	0	112.4	L344 N345 S350 I351 D352	L344-S348 PolarHBondContact O-N 3.33Å; L344-S348 PolarHBondContact O-OG 3.45Å; N345-S348 WeakPolarHBondContact CA-OG 3.49Å; N345-S348 PolarHBondContact O-N 2.98Å; N345-S348 PolarHBondContact O-OG 2.98Å; S348-S350 PolarHBondContact O-N 2.98Å; S348-I351 PolarHBondContact O-N 3.11Å; S348-D352 PolarHBondContact O-N 3.34Å
349	L	78.8	Confident	72.6	Confident	61 Å²	61	60.2 Å²	60.2	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-29	179	-68.2	169.6	0	0	0	112.7	N345 Q347 M353 L490	N345-L349 VanDerWaalsContact O-CG 3.31Å; N345-L349 WeakPolarHBondContact O-CG 3.34Å; N345-L349 PolarHBondContact O-N 3.43Å; N345-L349 VanDerWaalsContact O-N 3.07Å; Q347-L349 PolarHBondContact O-N 3.15Å; L349-M353 WeakPolarHBondContact O-CG 3.23Å; L349-M353 PolarHBondContact O-N 3.34Å; L349-L490 HydrophobicContact CB-CD1 3.89Å; L349-L490 HydrophobicContact CD1-CD1 3.79Å
350	S	75.5	Confident	69.8	Low	55 Å²	55	64.2 Å²	64.2	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-33.1	174.8	-57	0	0	0	0	112.6	C346 Q347 S348 S354 L490	C346-S350 WeakPolarHBondContact O-CB 3.41Å; C346-S350 PolarHBondContact O-N 3.46Å; C346-S350 VanDerWaalsContact O-N 3.1Å; C346-S350 PolarHBondContact O-OG 3.11Å; Q347-S350 WeakPolarHBondContact O-CB 3.4Å; Q347-S350 PolarHBondContact O-N 3.2Å; Q347-S350 VanDerWaalsContact O-N 3.16Å; S348-S350 PolarHBondContact O-N 2.98Å; S350-S354 PolarHBondContact O-N 3.07Å; S350-S354 PolarHBondContact O-OG 3.07Å; S350-L490 WeakPolarHBondContact OG-CD2 3.5Å
351	I	69.2	Low	67.1	Low	107 Å²	107	67.2 Å²	67.2	55%	0.549	39%	0.387	S	S	.	.	H	α-helix	trans	-73.4	-36.4	176.4	-66	165.1	0	0	0	110.7	Q347 S348 S354 S355	Q347-I351 WeakPolarHBondContact O-CG1 3.23Å; Q347-I351 PolarHBondContact O-N 2.94Å; Q347-I351 VanDerWaalsContact O-N 3.12Å; S348-I351 PolarHBondContact O-N 3.11Å; I351-S354 WeakPolarHBondContact CA-OG 3.5Å; I351-S354 PolarHBondContact O-N 3.21Å; I351-S354 PolarHBondContact O-OG 3.23Å; I351-S354 VanDerWaalsContact O-OG 3.12Å; I351-S355 WeakPolarHBondContact O-CB 3.41Å; I351-S355 PolarHBondContact O-N 2.88Å; I351-S355 PolarHBondContact O-OG 3.48Å
352	D	60.4	Low	64.2	Low	88 Å²	88	71.6 Å²	71.6	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-38.9	175.6	-68.7	-25.4	0	0	0	112.4	S348 S355 S356	S348-D352 PolarHBondContact O-N 3.34Å; D352-S355 WeakPolarHBondContact CA-OG 3.19Å; D352-S355 PolarHBondContact O-OG 3.34Å; D352-S356 WeakPolarHBondContact O-CB 3.25Å; D352-S356 PolarHBondContact O-N 3.38Å; D352-S356 VanDerWaalsContact O-N 3.1Å; D352-S356 PolarHBondContact O-OG 3.28Å
353	M	55.4	Low	61.4	Low	131 Å²	131	79.5 Å²	79.5	65%	0.645	44%	0.442	S	S	*	.	H	α-helix	trans	-67.9	-33.4	175.5	-69.4	-66.6	102.1	0	0	113.3	L349 S356 S357	L349-M353 WeakPolarHBondContact O-CG 3.23Å; L349-M353 PolarHBondContact O-N 3.34Å; M353-S356 PolarHBondContact O-OG 3.32Å; M353-S357 PolarHBondContact O-N 2.85Å; M353-S357 PolarHBondContact O-OG 2.97Å
354	S	53.2	Low	58.5	Low	63 Å²	63	86.1 Å²	86.1	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-81.8	-38.2	178.4	49.1	0	0	0	0	112.6	S350 I351 S357 I358	S350-S354 PolarHBondContact O-N 3.07Å; S350-S354 PolarHBondContact O-OG 3.07Å; I351-S354 WeakPolarHBondContact CA-OG 3.5Å; I351-S354 PolarHBondContact O-N 3.21Å; I351-S354 PolarHBondContact O-OG 3.23Å; I351-S354 VanDerWaalsContact O-OG 3.12Å; S354-S357 WeakPolarHBondContact O-CB 3.39Å; S354-S357 PolarHBondContact O-N 2.93Å; S354-I358 WeakPolarHBondContact O-CG1 3.3Å; S354-I358 PolarHBondContact O-N 3.4Å; S354-I358 VanDerWaalsContact O-N 3.13Å
355	S	50.7	Low	55.6	Low	58 Å²	58	91.6 Å²	91.6	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-39.5	176	58.3	0	0	0	0	113	I351 D352 S357 I358 S359	I351-S355 WeakPolarHBondContact O-CB 3.41Å; I351-S355 PolarHBondContact O-N 2.88Å; I351-S355 PolarHBondContact O-OG 3.48Å; D352-S355 WeakPolarHBondContact CA-OG 3.19Å; D352-S355 PolarHBondContact O-OG 3.34Å; S355-S357 VanDerWaalsContact C-N 3.29Å; S355-S357 PolarHBondContact O-N 3.24Å; S355-I358 PolarHBondContact O-N 2.67Å; S355-I358 VanDerWaalsContact O-N 3.11Å; S355-S359 PolarHBondContact O-N 3.44Å
356	S	43.5	Very low	52.7	Low	53 Å²	53	98.4 Å²	98.4	37%	0.371	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-30.6	173.6	55.6	0	0	0	0	113.2	D352 M353 S359 S360	D352-S356 WeakPolarHBondContact O-CB 3.25Å; D352-S356 PolarHBondContact O-N 3.38Å; D352-S356 VanDerWaalsContact O-N 3.1Å; D352-S356 PolarHBondContact O-OG 3.28Å; M353-S356 PolarHBondContact O-OG 3.32Å; S356-S359 PolarHBondContact O-OG 3.29Å; S356-S360 PolarHBondContact O-OG 3.2Å; S356-S360 VanDerWaalsContact O-OG 3.1Å
357	S	39.2	Very low	49.6	Very low	70 Å²	70	105 Å²	105	49%	0.49	57%	0.567	S	S	.	*	H	α-helix	trans	-68	-37.8	170.7	-59.7	0	0	0	0	112.1	M353 S354 S355 S360	M353-S357 PolarHBondContact O-N 2.85Å; M353-S357 PolarHBondContact O-OG 2.97Å; S354-S357 WeakPolarHBondContact O-CB 3.39Å; S354-S357 PolarHBondContact O-N 2.93Å; S355-S357 VanDerWaalsContact C-N 3.29Å; S355-S357 PolarHBondContact O-N 3.24Å; S357-S360 PolarHBondContact O-N 2.88Å
358	I	42.1	Very low	46.8	Very low	100 Å²	100	109.3 Å²	109.3	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-71.1	-35.6	178.8	-68.1	165.2	0	0	0	112	S354 S355 S360 I361	S354-I358 WeakPolarHBondContact O-CG1 3.3Å; S354-I358 PolarHBondContact O-N 3.4Å; S354-I358 VanDerWaalsContact O-N 3.13Å; S355-I358 PolarHBondContact O-N 2.67Å; S355-I358 VanDerWaalsContact O-N 3.11Å; I358-S360 PolarHBondContact O-N 3.26Å; I358-I361 PolarHBondContact O-N 2.86Å
359	S	39.6	Very low	44	Very low	68 Å²	68	113.2 Å²	113.2	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-62.8	-30.6	174.9	59.5	0	0	0	0	112.6	S355 S356 I361	S355-S359 PolarHBondContact O-N 3.44Å; S356-S359 PolarHBondContact O-OG 3.29Å; S359-I361 VanDerWaalsContact C-N 3.31Å; S359-I361 PolarHBondContact O-N 3.38Å
360	S	34.5	Very low	41.8	Very low	94 Å²	94	119 Å²	119	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-71.6	-21.5	178.5	-55.8	0	0	0	0	113.7	S356 S357 I358	S356-S360 PolarHBondContact O-OG 3.2Å; S356-S360 VanDerWaalsContact O-OG 3.1Å; S357-S360 PolarHBondContact O-N 2.88Å; I358-S360 PolarHBondContact O-N 3.26Å
361	I	38.6	Very low	39.5	Very low	137 Å²	137	120.9 Å²	120.9	70%	0.703	65%	0.646	S	S	*	*	H	α-helix	trans	-88.3	-26.5	-179.9	-65.9	172.6	0	0	0	111.8	I358 S359	I358-I361 PolarHBondContact O-N 2.86Å; S359-I361 VanDerWaalsContact C-N 3.31Å; S359-I361 PolarHBondContact O-N 3.38Å
362	K	34.5	Very low	37.6	Very low	170 Å²	170	121.9 Å²	121.9	74%	0.739	66%	0.661	S	S	*	*	H	α-helix	trans	-84.1	-8.6	-176.6	-77.1	-172.3	173.8	-176.9	0	115.7	N364	K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 2.97Å
363	H	32.9	Very low	35.9	Very low	171 Å²	171	123 Å²	123	79%	0.792	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	3	-179.2	-103.2	-64.1	0	0	0	115.5
364	N	30.2	Very low	34.6	Very low	147 Å²	147	123.7 Å²	123.7	79%	0.786	68%	0.68	S	S	*	*	S	Bend	trans	-121.2	42.3	-175.8	-125.6	6.4	0	0	0	114.1	K362	K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 2.97Å
365	H	32.8	Very low	33.3	Very low	190 Å²	190	126.6 Å²	126.6	88%	0.88	69%	0.691	S	S	*	*	S	Bend	trans	-144.9	141.6	150.3	-102.6	-75	0	0	0	110.4
366	Q	29.5	Very low	32.1	Very low	172 Å²	172	129.6 Å²	129.6	80%	0.804	70%	0.702	S	S	*	*			trans	-89.1	155.2	-170.4	-64.5	171.6	-44.9	0	0	113
367	N	25.9	Very low	31.2	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	72%	0.721	S	S	*	*			trans	38.3	118.8	147.2	-55.9	-6.4	0	0	0	119.6
368	I	30.4	Very low	30.8	Very low	167 Å²	167	139 Å²	139	86%	0.856	74%	0.737	S	S	*	*				-167.2	154.7	111.5	-96.5	154	0	0	0	109.2
369	D	26.1	Very low	30	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	75%	0.751	S	S	*	*			trans	-68.2	146.2	-168.5	-51.5	-94.3	0	0	0	115.3
370	H	32.9	Very low	29.5	Very low	183 Å²	183	149.2 Å²	149.2	85%	0.847	77%	0.772	S	S	*	*				-169.1	162.6	103	-111.3	-79.1	0	0	0	114.3
371	S	27.3	Very low	29.1	Very low	95 Å²	95	154 Å²	154	66%	0.664	78%	0.781	S	S	*	*			trans	-86.1	143.2	-174.9	55.3	0	0	0	0	115.2
372	C	29.8	Very low	28.7	Very low	128 Å²	128	155.8 Å²	155.8	87%	0.865	79%	0.791	S	S	*	*				-174.1	163.6	113.9	-109.6	0	0	0	0	112.7
373	C	25.2	Very low	28.5	Very low	110 Å²	110	157 Å²	157	74%	0.743	80%	0.797	S	S	*	*			trans	-119.2	156.7	-178.6	-59.5	0	0	0	0	112.5
374	N	26.9	Very low	28.3	Very low	147 Å²	147	155.4 Å²	155.4	79%	0.786	79%	0.794	S	S	*	*			trans	70.5	152.8	163.2	-61	-10.1	0	0	0	115.8
375	N	26.8	Very low	28.5	Very low	124 Å²	124	153.7 Å²	153.7	66%	0.663	79%	0.791	S	S	*	*			cis	-156.4	154.9	17.6	-135.8	-2.8	0	0	0	114.5
376	N	25	Very low	28.5	Very low	121 Å²	121	152 Å²	152	65%	0.647	79%	0.788	S	S	*	*			trans	69.9	146	148.3	-64.5	-27.3	0	0	0	124.3
377	N	25.7	Very low	28.5	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	78%	0.784	S	S	*	*			trans	74.2	146.2	157	-64.2	-26.8	0	0	0	118.2
378	Q	30.1	Very low	28.7	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	79%	0.788	S	S	*	*			cis	-148.6	173	3.6	-135.5	170.3	31.2	0	0	113.3
379	Q	24.5	Very low	28.6	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	78%	0.776	S	S	*	*			trans	-78.2	149.6	-177.6	-57.2	166.3	-0.4	0	0	113.4
380	K	29.3	Very low	28.6	Very low	211 Å²	211	148.3 Å²	148.3	92%	0.917	78%	0.783	S	S	*	*			trans	-139.5	115.4	143.5	-93.7	-174.5	178.1	177.1	0	110.6
381	K	25.8	Very low	28.3	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-81.3	135.5	163.3	-69.5	179.5	175.1	-178.7	0	108.5
382	L	30.3	Very low	28.2	Very low	176 Å²	176	146.8 Å²	146.8	92%	0.921	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-79	149.8	156.5	-123.4	69.4	0	0	0	109.3
383	K	31	Very low	28	Very low	196 Å²	196	149.5 Å²	149.5	85%	0.852	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-96	144.8	175.8	-73.4	-175.9	176.9	-178.4	0	110.1
384	N	28.8	Very low	28	Very low	136 Å²	136	152.9 Å²	152.9	73%	0.727	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.5	136.6	168.6	-153.8	59	0	0	0	109.6
385	P	34.4	Very low	27.8	Very low	112 Å²	112	151 Å²	151	73%	0.727	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.3	143.6	157.6	33.9	-29.4	0	0	0	109.9
386	D	33.2	Very low	27.8	Very low	153 Å²	153	150.2 Å²	150.2	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.9	168.4	-170.6	-71.8	-56.3	0	0	0	114.8
387	S	29.5	Very low	27.8	Very low	102 Å²	102	149.4 Å²	149.4	71%	0.713	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-90.1	149.9	-168.2	57.6	0	0	0	0	114.8
388	I	29	Very low	27.7	Very low	165 Å²	165	152.8 Å²	152.8	85%	0.846	80%	0.797	S	S	*	*	S	Bend	trans	-131.7	79.9	154.5	-53.7	-178.2	0	0	0	109.1
389	F	29.2	Very low	27.5	Very low	137 Å²	137	151.4 Å²	151.4	60%	0.601	79%	0.794	S	S	*	*	S	Bend	trans	-175.4	117.5	151.8	-105.8	-67.6	0	0	0	108.7	S391	F389-S391 PolarHBondContact O-N 3.06Å
390	P	26.6	Very low	27.4	Very low	134 Å²	134	146.2 Å²	146.2	87%	0.87	79%	0.786	S	S	*	*			trans	-66.8	120.1	-173.9	26.6	-34.3	0	0	0	111.5
391	S	26.9	Very low	27.1	Very low	61 Å²	61	146.2 Å²	146.2	43%	0.427	78%	0.782	S	S	.	*			trans	-130.6	124.5	178.4	-61.6	0	0	0	0	110.2	R314 F389 Q393	R314-S391 PolarHBondContact NH1-OG 3.1Å; R314-S391 PolarHBondContact NH2-OG 3.39Å; F389-S391 PolarHBondContact O-N 3.06Å; S391-Q393 PolarHBondContact O-N 3.38Å
392	L	24.8	Very low	27	Very low	184 Å²	184	142.5 Å²	142.5	96%	0.963	78%	0.781	S	S	*	*			trans	-67.1	125.1	-178.8	-72.7	161.5	0	0	0	110.9
393	Q	25.2	Very low	26.7	Very low	185 Å²	185	139.7 Å²	139.7	86%	0.864	78%	0.775	S	S	*	*			trans	-78.1	137	172.2	-67.9	-178.3	-51.4	0	0	111.5	S391	S391-Q393 PolarHBondContact O-N 3.38Å
394	L	25.7	Very low	26.5	Very low	182 Å²	182	136.4 Å²	136.4	95%	0.953	77%	0.774	S	S	*	*			trans	-148.7	127	155.5	-111.1	169.1	0	0	0	107.6
395	S	22	Very low	26.2	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	78%	0.777	S	S	*	*			trans	-143	118.4	-158.6	57.8	0	0	0	0	114.8
396	S	27.8	Very low	26	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	78%	0.777	S	S	*	*			trans	-169.3	128.4	155.4	52.5	0	0	0	0	108.1
397	S	23.7	Very low	25.6	Very low	103 Å²	103	133 Å²	133	72%	0.72	77%	0.769	S	S	*	*				66.2	136.4	50.5	80.9	0	0	0	0	113.4
398	Y	23.4	Very low	25.3	Very low	214 Å²	214	135.9 Å²	135.9	84%	0.839	77%	0.771	S	S	*	*			cis	-163.8	165.2	-0.1	-131.2	-53.5	0	0	0	109.7
399	I	26.3	Very low	25.1	Very low	148 Å²	148	136.4 Å²	136.4	76%	0.759	77%	0.77	S	S	*	*			trans	73.6	151	164.3	-54.2	148.2	0	0	0	114	Y401	I399-Y401 HydrophobicContact CG2-CD2 4.24Å
400	G	23	Very low	24.8	Very low	63 Å²	63	138.4 Å²	138.4	65%	0.649	78%	0.781	S	S	*	*			cis	133.4	155.8	4.8	0	0	0	0	0	110.4
401	Y	23.2	Very low	25	Very low	212 Å²	212	136.9 Å²	136.9	83%	0.831	77%	0.771	S	S	*	*			cis	-163.7	162.5	3	-101.2	-77.8	0	0	0	111.6	I399	I399-Y401 HydrophobicContact CG2-CD2 4.24Å
402	S	24	Very low	24.8	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	78%	0.781	S	S	*	*			trans	75.8	137.4	152.7	-59.9	0	0	0	0	124
403	S	23.5	Very low	24.7	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	78%	0.775	S	S	*	*			trans	-100.8	178.4	164.4	-42.4	0	0	0	0	111
404	P	25.8	Very low	24.7	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	77%	0.77	S	S	*	*				-153.7	179	75.5	40.7	-19.5	0	0	0	117.8
405	S	23.6	Very low	24.5	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	76%	0.763	S	S	*	*			trans	-87.9	-162.2	172.6	-28.3	0	0	0	0	111.5
406	P	30.6	Very low	24.6	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	76%	0.759	S	S	*	*			cis	-128.8	-158.9	5.9	37.5	-12.8	0	0	0	113.2
407	T	23.3	Very low	24.5	Very low	106 Å²	106	134.4 Å²	134.4	65%	0.65	76%	0.759	S	S	*	*				-178.2	145.3	57.5	-35.9	0	0	0	0	113.6
408	Q	23.6	Very low	24.4	Very low	162 Å²	162	135.4 Å²	135.4	76%	0.757	76%	0.756	S	S	*	*			trans	58.8	148.9	156.8	-78.7	168.1	30.6	0	0	119.4
409	Q	25.7	Very low	24.6	Very low	175 Å²	175	134 Å²	134	82%	0.818	76%	0.756	S	S	*	*			cis	-154.7	-179.9	30.8	-132.6	154.2	55.5	0	0	113.1
410	Q	23.3	Very low	24.4	Very low	179 Å²	179	136.7 Å²	136.7	84%	0.836	76%	0.759	S	S	*	*			trans	-134.5	-176.5	-177.9	-113.6	-172.9	-4.1	0	0	109.2
411	P	29.1	Very low	24.6	Very low	102 Å²	102	142.5 Å²	142.5	66%	0.662	77%	0.769	S	S	*	*			cis	-123.4	-132.9	-6.7	23.4	4	0	0	0	111.1
412	T	23.1	Very low	24.5	Very low	104 Å²	104	141.7 Å²	141.7	64%	0.638	76%	0.764	S	S	*	*			cis	-167.7	151.2	1.1	-7.2	0	0	0	0	111.5
413	L	22.1	Very low	24.7	Very low	160 Å²	160	145 Å²	145	84%	0.838	77%	0.766	S	S	*	*			trans	62.5	155.3	150.1	-64.4	166.4	0	0	0	120
414	T	25.2	Very low	24.7	Very low	124 Å²	124	146.1 Å²	146.1	76%	0.761	76%	0.759	S	S	*	*			cis	-136.5	173.4	2.7	41.1	0	0	0	0	113.7
415	T	22.6	Very low	24.9	Very low	131 Å²	131	146.5 Å²	146.5	80%	0.804	76%	0.758	S	S	*	*			trans	-56.1	177.5	169.5	56.5	0	0	0	0	116.2
416	S	24.5	Very low	25	Very low	95 Å²	95	147.1 Å²	147.1	66%	0.664	75%	0.753	S	S	*	*			cis	-162.3	163.9	21.8	56.3	0	0	0	0	116
417	H	25.1	Very low	25.1	Very low	162 Å²	162	150.4 Å²	150.4	75%	0.75	76%	0.758	S	S	*	*			trans	55.5	117.6	147.1	-71.1	-51.4	0	0	0	125.1
418	D	22.5	Very low	25.2	Very low	124 Å²	124	151 Å²	151	66%	0.663	76%	0.757	S	S	*	*				31.6	126.9	119.5	-54.6	-72.2	0	0	0	122.2
419	H	26.2	Very low	25.7	Very low	183 Å²	183	151 Å²	151	85%	0.847	76%	0.763	S	S	*	*				-166	173.9	91.6	-120.5	-36	0	0	0	113.8
420	Y	21.4	Very low	25.9	Very low	205 Å²	205	149.5 Å²	149.5	80%	0.804	76%	0.76	S	S	*	*			trans	-81.4	156.5	176.6	-80.6	-122.3	0	0	0	111.3
421	H	27.2	Very low	26.5	Very low	186 Å²	186	148.8 Å²	148.8	86%	0.861	76%	0.762	S	S	*	*				-158.1	147.3	118.4	-119.5	-84.7	0	0	0	114
422	R	21.9	Very low	26.5	Very low	194 Å²	194	152.3 Å²	152.3	73%	0.732	77%	0.77	S	S	*	*			trans	-85.6	142.5	177.7	165.7	-161.2	-83.5	177	-9.2	110.3
423	H	28.4	Very low	26.9	Very low	185 Å²	185	154 Å²	154	86%	0.856	78%	0.78	S	S	*	*			trans	-140.5	137.1	146.8	-103.8	-81	0	0	0	111.6
424	Q	23.9	Very low	27.3	Very low	140 Å²	140	148.8 Å²	148.8	65%	0.654	77%	0.765	S	S	*	*			trans	-105.6	151.1	166.7	-68.1	166.3	-86.4	0	0	108.4
425	V	30.1	Very low	27.7	Very low	135 Å²	135	149.1 Å²	149.1	82%	0.818	77%	0.766	S	S	*	*			trans	-137.6	127.9	158.9	179.3	0	0	0	0	106.8
426	N	24.5	Very low	28.4	Very low	125 Å²	125	149.9 Å²	149.9	67%	0.668	77%	0.766	S	S	*	*			trans	-85.3	150.9	172	-69.6	-7.9	0	0	0	109.7
427	H	32.3	Very low	29.1	Very low	182 Å²	182	154.7 Å²	154.7	84%	0.843	77%	0.769	S	S	*	*			trans	-139.4	130.2	142.6	-110.1	-84.5	0	0	0	108.4
428	N	26.7	Very low	29.6	Very low	117 Å²	117	153.3 Å²	153.3	63%	0.626	76%	0.763	S	S	*	*			trans	-90	151.1	166	-62.1	-4	0	0	0	107.8
429	D	34.5	Very low	30.2	Very low	163 Å²	163	153.3 Å²	153.3	87%	0.872	76%	0.763	S	S	*	*			trans	-143.4	151.7	135.6	-90.1	-47.2	0	0	0	107.4
430	N	29.1	Very low	30.7	Very low	143 Å²	143	154.4 Å²	154.4	77%	0.765	76%	0.76	S	S	*	*			trans	-102.5	151.3	-172.9	-52.4	-68.6	0	0	0	110.9
431	D	35.9	Very low	31.3	Very low	164 Å²	164	147.3 Å²	147.3	88%	0.877	74%	0.74	S	S	*	*			trans	-154.5	164.3	145.9	-112	-27.7	0	0	0	111.2
432	E	29.2	Very low	31.7	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	72%	0.724	S	S	*	*	S	Bend	trans	-82.3	137.9	-153.6	-55.6	-179.7	118.8	0	0	116.2
433	T	32.1	Very low	32.5	Very low	140 Å²	140	142.8 Å²	142.8	86%	0.859	73%	0.725	S	S	*	*			trans	167.1	68.1	132.3	33.9	0	0	0	0	111.3
434	G	30.6	Very low	32.8	Very low	50 Å²	50	141 Å²	141	52%	0.515	71%	0.712	S	S	.	*			trans	-105.7	-12	-168.7	0	0	0	0	0	118.3
435	V	32.7	Very low	33.4	Very low	131 Å²	131	140.4 Å²	140.4	79%	0.794	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-78.9	-28.5	-158.8	-175.2	0	0	0	0	114.4	R437	V435-R437 VanDerWaalsContact C-N 3.35Å; V435-R437 PolarHBondContact O-N 3.36Å
436	D	37	Very low	33.8	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-92.1	11.7	-171.3	-144.8	8	0	0	0	114.2
437	R	39.5	Very low	34.4	Very low	195 Å²	195	139.5 Å²	139.5	74%	0.736	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-103.8	-22.1	-176.4	-79	-179.3	168.8	166.3	-4.2	115.1	V435	V435-R437 VanDerWaalsContact C-N 3.35Å; V435-R437 PolarHBondContact O-N 3.36Å
438	Q	35.3	Very low	34.7	Very low	133 Å²	133	134.8 Å²	134.8	62%	0.621	67%	0.669	S	S	*	*	S	Bend	trans	-79.7	-42.8	-177.2	-71.8	178.5	-101.9	0	0	113.1	R440 S441 E442	Q438-R440 PolarHBondContact O-N 3.42Å; Q438-S441 WeakPolarHBondContact O-CB 3.26Å; Q438-S441 PolarHBondContact O-N 3.02Å; Q438-E442 PolarHBondContact O-N 3.39Å
439	N	35.5	Very low	35	Very low	124 Å²	124	132.4 Å²	132.4	66%	0.663	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-18.3	-179.3	-76.9	-23.1	0	0	0	114.9
440	R	36.5	Very low	35	Very low	206 Å²	206	129 Å²	129	78%	0.777	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-15.2	174	-157.8	-179	-79.3	-145.1	1.4	113.1	Q438 Y444	Q438-R440 PolarHBondContact O-N 3.42Å; R440-Y444 WeakPolarHBondContact O-CD2 3.36Å
441	S	35.2	Very low	35.7	Very low	56 Å²	56	125.5 Å²	125.5	39%	0.392	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-45.5	177.3	-158	0	0	0	0	112.1	Q438 K443 Y444 E445	Q438-S441 WeakPolarHBondContact O-CB 3.26Å; Q438-S441 PolarHBondContact O-N 3.02Å; S441-K443 PolarHBondContact O-N 2.93Å; S441-Y444 WeakPolarHBondContact O-CA 3.43Å; S441-Y444 PolarHBondContact O-N 2.8Å; S441-E445 PolarHBondContact O-N 2.79Å
442	E	34.1	Very low	35.7	Very low	113 Å²	113	123 Å²	123	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-59	-35.2	-174.3	-65.5	175.3	-176.1	0	0	112.7	Q438 Y444 E445 Q446	Q438-E442 PolarHBondContact O-N 3.39Å; E442-Y444 VanDerWaalsContact C-N 3.25Å; E442-Y444 PolarHBondContact O-N 2.98Å; E442-E445 PolarHBondContact O-N 3.37Å; E442-Q446 PolarHBondContact O-N 3.29Å; E442-Q446 VanDerWaalsContact O-N 3.13Å
443	K	38.5	Very low	36	Very low	172 Å²	172	121.9 Å²	121.9	75%	0.748	61%	0.612	S	S	*	*	H	α-helix	trans	-69.7	-18.5	176.6	-145	177.3	-173.2	-177.7	0	113.9	S441	S441-K443 PolarHBondContact O-N 2.93Å
444	Y	36	Very low	36.1	Very low	148 Å²	148	122.7 Å²	122.7	58%	0.58	61%	0.606	S	S	*	*	H	α-helix	trans	-97.9	-26.5	172.6	-82.7	-94.7	0	0	0	112.8	R440 S441 E442 Y447 N448	R440-Y444 WeakPolarHBondContact O-CD2 3.36Å; S441-Y444 WeakPolarHBondContact O-CA 3.43Å; S441-Y444 PolarHBondContact O-N 2.8Å; E442-Y444 VanDerWaalsContact C-N 3.25Å; E442-Y444 PolarHBondContact O-N 2.98Å; Y444-Y447 WeakPolarHBondContact O-CB 3.28Å; Y444-Y447 PolarHBondContact O-N 2.95Å; Y444-N448 PolarHBondContact O-N 3.47Å; Y444-N448 VanDerWaalsContact O-N 3.14Å; Y444-N448 PolarHBondContact O-ND2 3.37Å
445	E	35.6	Very low	36.5	Very low	127 Å²	127	125 Å²	125	59%	0.593	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-35.3	172.6	-71.8	-171.4	-175.6	0	0	112	S441 E442 Y447 N448 S449	S441-E445 PolarHBondContact O-N 2.79Å; E442-E445 PolarHBondContact O-N 3.37Å; E445-Y447 VanDerWaalsContact C-N 3.29Å; E445-Y447 PolarHBondContact O-N 2.83Å; E445-N448 PolarHBondContact O-N 3.38Å; E445-S449 WeakPolarHBondContact O-CB 3.43Å; E445-S449 PolarHBondContact O-N 2.91Å
446	Q	39	Very low	36.5	Very low	145 Å²	145	125 Å²	125	68%	0.678	61%	0.605	S	S	*	*	H	α-helix	trans	-58.4	-39.5	168.8	-80.3	-172.1	-25.1	0	0	112.6	E442 S449 C450	E442-Q446 PolarHBondContact O-N 3.29Å; E442-Q446 VanDerWaalsContact O-N 3.13Å; Q446-S449 PolarHBondContact O-N 3.13Å; Q446-C450 PolarHBondContact O-N 3.28Å
447	Y	37.5	Very low	36.2	Very low	96 Å²	96	125 Å²	125	38%	0.376	61%	0.605	S	S	.	*	H	α-helix	trans	-64.1	-46.5	177.5	-168.6	-102	0	0	0	111.7	Y444 E445 S449 I451	Y444-Y447 WeakPolarHBondContact O-CB 3.28Å; Y444-Y447 PolarHBondContact O-N 2.95Å; E445-Y447 VanDerWaalsContact C-N 3.29Å; E445-Y447 PolarHBondContact O-N 2.83Å; Y447-S449 PolarHBondContact O-N 3.02Å; Y447-I451 HydrophobicContact CD1-CD1 4.05Å; Y447-I451 HydrophobicContact CE1-CD1 3.88Å
448	N	37.6	Very low	35.7	Very low	83 Å²	83	122.1 Å²	122.1	44%	0.444	60%	0.604	S	S	.	*	H	α-helix	trans	-71.1	-27.6	178.4	-72.3	-61	0	0	0	113.7	Y444 E445 N452	Y444-N448 PolarHBondContact O-N 3.47Å; Y444-N448 VanDerWaalsContact O-N 3.14Å; Y444-N448 PolarHBondContact O-ND2 3.37Å; E445-N448 PolarHBondContact O-N 3.38Å; N448-N452 PolarHBondContact O-N 2.84Å; N448-N452 PolarHBondContact O-ND2 3.3Å
449	S	34	Very low	35.4	Very low	68 Å²	68	122.9 Å²	122.9	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-63.3	-46.6	177	-174	0	0	0	0	112	E445 Q446 Y447 I451 N452	E445-S449 WeakPolarHBondContact O-CB 3.43Å; E445-S449 PolarHBondContact O-N 2.91Å; Q446-S449 PolarHBondContact O-N 3.13Å; Y447-S449 PolarHBondContact O-N 3.02Å; S449-I451 VanDerWaalsContact C-N 3.34Å; S449-I451 PolarHBondContact O-N 3.22Å; S449-N452 PolarHBondContact O-N 2.87Å
450	C	34.9	Very low	35.1	Very low	90 Å²	90	124.2 Å²	124.2	61%	0.608	62%	0.62	S	S	*	*	H	α-helix	trans	-65	-34.1	179.5	-67.2	0	0	0	0	113.4	Q446	Q446-C450 PolarHBondContact O-N 3.28Å
451	I	42.5	Very low	34.8	Very low	70 Å²	70	121.2 Å²	121.2	36%	0.359	62%	0.619	S	S	.	*	H	α-helix	trans	-65.9	-45	179.6	-66.7	170.5	0	0	0	110.9	Y447 S449 Q453 H454 V455	Y447-I451 HydrophobicContact CD1-CD1 4.05Å; Y447-I451 HydrophobicContact CE1-CD1 3.88Å; S449-I451 VanDerWaalsContact C-N 3.34Å; S449-I451 PolarHBondContact O-N 3.22Å; I451-Q453 PolarHBondContact O-N 3.45Å; I451-H454 PolarHBondContact O-N 3.3Å; I451-V455 HydrophobicContact CG2-CG2 4.4Å; I451-V455 PolarHBondContact O-N 3.23Å
452	N	36	Very low	34.4	Very low	111 Å²	111	125.4 Å²	125.4	59%	0.594	64%	0.642	S	S	*	*	H	α-helix	trans	-67.5	-18.5	-175.3	-77.8	-76.1	0	0	0	114.5	N448 S449	N448-N452 PolarHBondContact O-N 2.84Å; N448-N452 PolarHBondContact O-ND2 3.3Å; S449-N452 PolarHBondContact O-N 2.87Å
453	Q	35.7	Very low	34.4	Very low	153 Å²	153	125.2 Å²	125.2	72%	0.715	65%	0.648	S	S	*	*	H	α-helix	trans	-84.4	-24.2	175.7	-65.6	-167	-1.5	0	0	113.7	I451	I451-Q453 PolarHBondContact O-N 3.45Å
454	H	34.7	Very low	33.8	Very low	158 Å²	158	124.1 Å²	124.1	73%	0.731	65%	0.651	S	S	*	*	H	α-helix	trans	-90.9	-21.9	-179.2	-90.2	-78.3	0	0	0	114.8	I451 N456	I451-H454 PolarHBondContact O-N 3.3Å; H454-N456 VanDerWaalsContact C-N 3.34Å; H454-N456 PolarHBondContact O-N 3.1Å
455	V	38.8	Very low	33.8	Very low	97 Å²	97	126.7 Å²	126.7	59%	0.588	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-67.4	-29.9	-178.4	171.6	0	0	0	0	113.2	I451 N457	I451-V455 HydrophobicContact CG2-CG2 4.4Å; I451-V455 PolarHBondContact O-N 3.23Å; V455-N457 VanDerWaalsContact C-N 3.3Å; V455-N457 PolarHBondContact O-N 3.49Å
456	N	32.7	Very low	33.5	Very low	133 Å²	133	124.1 Å²	124.1	71%	0.711	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-77.1	-1.6	-173.2	-85.1	-35.6	0	0	0	116.1	H454	H454-N456 VanDerWaalsContact C-N 3.34Å; H454-N456 PolarHBondContact O-N 3.1Å
457	N	31	Very low	33	Very low	146 Å²	146	120.2 Å²	120.2	78%	0.781	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-122.8	13.4	-170.2	-99.4	-20.1	0	0	0	115.9	V455	V455-N457 VanDerWaalsContact C-N 3.3Å; V455-N457 PolarHBondContact O-N 3.49Å
458	N	29.7	Very low	32.7	Very low	136 Å²	136	123.4 Å²	123.4	73%	0.727	70%	0.695	S	S	*	*			trans	-136.6	31.7	179.8	-101.2	-34	0	0	0	115.5	N460	N458-N460 PolarHBondContact O-N 3.47Å
459	N	27.9	Very low	32.3	Very low	148 Å²	148	126.4 Å²	126.4	79%	0.791	71%	0.711	S	S	*	*			trans	-74	69	167.2	-84.6	-28.6	0	0	0	111.8
460	N	29.1	Very low	32.3	Very low	152 Å²	152	131.6 Å²	131.6	81%	0.813	73%	0.733	S	S	*	*			trans	-177.7	69.6	157.9	-95.9	-30.1	0	0	0	111.9	N458	N458-N460 PolarHBondContact O-N 3.47Å
461	N	29.5	Very low	32	Very low	143 Å²	143	132 Å²	132	77%	0.765	74%	0.737	S	S	*	*			trans	-162.5	93.7	156.8	-101	-35.8	0	0	0	110.8	V463	N461-V463 PolarHBondContact O-N 3.43Å; N461-V463 VanDerWaalsContact O-N 3.16Å
462	V	28.6	Very low	31.3	Very low	144 Å²	144	135 Å²	135	87%	0.873	75%	0.754	S	S	*	*			trans	-77.2	96.7	165.8	178.1	0	0	0	0	107.3	N464	V462-N464 PolarHBondContact O-N 3.47Å
463	V	32.7	Very low	31.3	Very low	109 Å²	109	139.2 Å²	139.2	66%	0.661	77%	0.77	S	S	*	*			trans	-76.4	117.4	177.2	-177.3	0	0	0	0	108.7	N461 F465	N461-V463 PolarHBondContact O-N 3.43Å; N461-V463 VanDerWaalsContact O-N 3.16Å; V463-F465 PolarHBondContact O-N 3.01Å
464	N	26.6	Very low	31	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	78%	0.777	S	S	*	*			trans	-62	120.6	169.5	-91.5	-21.7	0	0	0	109.4	V462 G466	V462-N464 PolarHBondContact O-N 3.47Å; N464-G466 PolarHBondContact O-N 3.27Å
465	F	36.4	Very low	30.7	Very low	203 Å²	203	135.1 Å²	135.1	89%	0.89	77%	0.773	S	S	*	*			trans	-68.7	109.8	163.5	-73.4	-86.6	0	0	0	108.5	V463 G467	V463-F465 PolarHBondContact O-N 3.01Å; F465-G467 PolarHBondContact O-N 2.93Å
466	G	28.7	Very low	30.4	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.4	128.1	166	0	0	0	0	0	109.1	N464	N464-G466 PolarHBondContact O-N 3.27Å
467	G	28.5	Very low	30.5	Very low	63 Å²	63	137.5 Å²	137.5	65%	0.649	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.4	121.6	171.6	0	0	0	0	0	110.2	F465	F465-G467 PolarHBondContact O-N 2.93Å
468	D	31.8	Very low	31.1	Very low	162 Å²	162	133 Å²	133	87%	0.866	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.5	148.5	160.6	-77.6	-50.6	0	0	0	109.9	D470	D468-D470 PolarHBondContact O-N 2.95Å
469	N	29.4	Very low	31.7	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	75%	0.754	S	S	*	*			trans	-96.9	89.3	-165.2	-66.3	-93.7	0	0	0	111.2	S471	N469-S471 PolarHBondContact O-N 3.44Å; N469-S471 VanDerWaalsContact O-N 3.13Å
470	D	33.5	Very low	32.7	Very low	176 Å²	176	127.4 Å²	127.4	94%	0.941	73%	0.728	S	S	*	*			trans	-74.1	96	160.8	-83.5	-31.7	0	0	0	109.6	D468	D468-D470 PolarHBondContact O-N 2.95Å
471	S	28.8	Very low	33.5	Very low	98 Å²	98	127 Å²	127	69%	0.685	73%	0.726	S	S	*	*			trans	-89.5	158.9	169.6	52.2	0	0	0	0	111.8	N469	N469-S471 PolarHBondContact O-N 3.44Å; N469-S471 VanDerWaalsContact O-N 3.13Å
472	D	28.3	Very low	34.6	Very low	135 Å²	135	124.1 Å²	124.1	72%	0.722	71%	0.71	S	S	*	*			trans	71.2	70.1	174.7	-66.4	-21.6	0	0	0	118
473	H	35.5	Very low	36.2	Very low	198 Å²	198	117.9 Å²	117.9	92%	0.917	67%	0.671	S	S	*	*			trans	-128.4	117.2	134.8	-103.1	40.2	0	0	0	110.6
474	N	28.7	Very low	37.5	Very low	163 Å²	163	115.3 Å²	115.3	87%	0.872	67%	0.666	S	S	*	*			trans	-96.2	114.1	177.8	-82.1	-81.1	0	0	0	110.3
475	G	28	Very low	39.6	Very low	63 Å²	63	116.4 Å²	116.4	65%	0.649	67%	0.667	S	S	*	*	S	Bend	trans	159	99	167.5	0	0	0	0	0	116.4	D477	G475-D477 PolarHBondContact O-N 3.4Å
476	D	32.5	Very low	41.6	Very low	148 Å²	148	108 Å²	108	79%	0.791	63%	0.63	S	S	*	*			trans	48.4	54.9	158.4	-59.9	-13.1	0	0	0	117.1	K340 I478	K340-D476 PolarHBondContact NZ-O 3.19Å; D476-I478 PolarHBondContact O-N 3.07Å; D476-I478 VanDerWaalsContact O-N 3.17Å
477	D	34.9	Very low	44	Very low	131 Å²	131	109.2 Å²	109.2	70%	0.701	62%	0.62	S	S	*	*			trans	-76.7	95.7	167.5	-121.6	-25.3	0	0	0	110.9	G475 N479 N480	G475-D477 PolarHBondContact O-N 3.4Å; D477-N479 PolarHBondContact O-N 3.28Å; D477-N480 PolarHBondContact OD1-ND2 2.85Å
478	I	44.7	Very low	46.4	Very low	53 Å²	53	107 Å²	107	27%	0.272	59%	0.594	S	S	.	*			trans	-65	105.3	164.6	-62.6	176.6	0	0	0	106.8	Y343 D476 N480	Y343-I478 HydrophobicContact CD1-CG2 4.1Å; Y343-I478 HydrophobicContact CE1-CG2 3.61Å; D476-I478 PolarHBondContact O-N 3.07Å; D476-I478 VanDerWaalsContact O-N 3.17Å; I478-N480 PolarHBondContact O-N 3.46Å
479	N	40.8	Very low	48.6	Very low	118 Å²	118	101.6 Å²	101.6	63%	0.631	57%	0.569	S	S	*	*			trans	-46.5	107.8	-168.6	-165.5	-15.4	0	0	0	112.3	D477 N481 D482	D477-N479 PolarHBondContact O-N 3.28Å; N479-N481 PolarHBondContact O-N 3.39Å; N479-D482 PolarHBondContact O-N 3.33Å
480	N	49	Very low	51.3	Low	48 Å²	48	96.4 Å²	96.4	26%	0.257	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4	-161.2	-76.9	-71	0	0	0	115.4	R339 D477 I478	R339-N480 PolarHBondContact NH1-OD1 3.42Å; R339-N480 PolarHBondContact NH2-OD1 3.47Å; D477-N480 PolarHBondContact OD1-ND2 2.85Å; I478-N480 PolarHBondContact O-N 3.46Å
481	N	46.7	Very low	53.7	Low	142 Å²	142	88.3 Å²	88.3	76%	0.759	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.7	173.6	-69.9	-22.1	0	0	0	113.8	N479 Y483 G484	N479-N481 PolarHBondContact O-N 3.39Å; N481-Y483 PolarHBondContact O-N 3.22Å; N481-Y483 VanDerWaalsContact O-N 3.12Å; N481-G484 PolarHBondContact O-N 3.01Å
482	D	53.4	Low	56.2	Low	83 Å²	83	84.5 Å²	84.5	44%	0.444	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-70.4	-11.5	-172.4	-154.7	27.9	0	0	0	113.4	Y343 N479 G484	Y343-D482 PolarHBondContact OH-OD2 3.23Å; N479-D482 PolarHBondContact O-N 3.33Å; D482-G484 PolarHBondContact O-N 3.32Å
483	Y	60.8	Low	58.8	Low	14 Å²	14	81.3 Å²	81.3	6%	0.055	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.2	177.6	-76.7	-102.4	0	0	0	114	R339 Y343 N481 H485 Y586 R589	R339-Y483 HydrophobicContact CG-CE1 3.86Å; R339-Y483 VanDerWaalsContact NH1-CZ 3.29Å; R339-Y483 PolarHBondContact NH1-OH 3.24Å; R339-Y483 VanDerWaalsContact NH1-OH 3.07Å; Y343-Y483 AromaticContact CD2-CD1 3.68Å; Y343-Y483 HydrophobicContact CD2-CD1 3.68Å; Y343-Y483 HydrophobicContact CD2-CD2 4.28Å; Y343-Y483 AromaticContact CD2-CE1 3.4Å; Y343-Y483 HydrophobicContact CD2-CE1 3.4Å; Y343-Y483 VanDerWaalsContact CD2-CE1 3.4Å; Y343-Y483 HydrophobicContact CD2-CE2 4.02Å; Y343-Y483 HydrophobicContact CD2-CG 4.11Å; Y343-Y483 AromaticContact CD2-CZ 3.55Å; Y343-Y483 HydrophobicContact CE2-CD1 4.22Å; Y343-Y483 HydrophobicContact CE2-CD2 4.18Å; Y343-Y483 HydrophobicContact CE2-CE1 4.23Å; Y343-Y483 HydrophobicContact CE2-CE2 4.16Å; Y343-Y483 HydrophobicContact CE2-CG 4.18Å; Y343-Y483 AromaticContact CG-CE1 3.84Å; Y343-Y483 HydrophobicContact CG-CE1 3.84Å; Y343-Y483 HydrophobicContact CG-CE2 4.43Å; Y343-Y483 AromaticContact CG-CZ 3.74Å; N481-Y483 PolarHBondContact O-N 3.22Å; N481-Y483 VanDerWaalsContact O-N 3.12Å; Y483-H485 VanDerWaalsContact C-N 3.32Å; Y483-H485 PolarHBondContact O-N 3.31Å; Y483-Y586 AromaticContact CD1-CD1 3.62Å; Y483-Y586 HydrophobicContact CD1-CD1 3.62Å; Y483-Y586 HydrophobicContact CD1-CE1 4.39Å; Y483-Y586 HydrophobicContact CD1-CG 4.18Å; Y483-Y586 HydrophobicContact CD2-CD1 4.1Å; Y483-Y586 HydrophobicContact CD2-CE1 4.06Å; Y483-Y586 HydrophobicContact CE1-CD1 4.24Å; Y483-Y586 HydrophobicContact CE1-CG 4.46Å; Y483-Y586 AromaticContact CG-CD1 3.55Å; Y483-Y586 HydrophobicContact CG-CD1 3.55Å; Y483-Y586 AromaticContact CG-CE1 3.91Å; Y483-Y586 HydrophobicContact CG-CE1 3.91Å; Y483-R589 PolarHBondContact O-NH2 3.4Å
484	G	60.9	Low	61.4	Low	54 Å²	54	71.9 Å²	71.9	56%	0.557	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64.3	-30.3	-172.5	0	0	0	0	0	114.9	N481 D482	N481-G484 PolarHBondContact O-N 3.01Å; D482-G484 PolarHBondContact O-N 3.32Å
485	H	70.6	Confident	64.3	Low	173 Å²	173	64.1 Å²	64.1	80%	0.801	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-86.7	-17.5	-169.7	-62.5	-58.5	0	0	0	115	Y483	Y483-H485 VanDerWaalsContact C-N 3.32Å; Y483-H485 PolarHBondContact O-N 3.31Å
486	I	77.3	Confident	67	Low	25 Å²	25	63 Å²	63	13%	0.128	35%	0.351	C	S	.	.	S	Bend	trans	-70.3	147.6	-180	-57.8	179	0	0	0	109.9	Y343 C346 L490 I491 R589	Y343-I486 HydrophobicContact CD2-CD1 3.53Å; Y343-I486 HydrophobicContact CE2-CD1 3.43Å; Y343-I486 VanDerWaalsContact CE2-CD1 3.43Å; C346-I486 HydrophobicContact CB-CD1 3.94Å; C346-I486 HydrophobicContact CB-CG2 3.85Å; I486-L490 HydrophobicContact CG2-CB 4.4Å; I486-L490 HydrophobicContact CG2-CD2 4.24Å; I486-L490 HydrophobicContact CG2-CG 4.5Å; I486-I491 HydrophobicContact CB-CD1 4.38Å; I486-I491 HydrophobicContact CB-CG1 4.48Å; I486-I491 HydrophobicContact CG2-CD1 4.14Å; I486-I491 HydrophobicContact CG2-CG1 3.73Å; I486-R589 PolarHBondContact O-NH1 3.48Å; I486-R589 PolarHBondContact O-NH2 3.27Å
487	N	80.6	Confident	69.7	Low	100 Å²	100	58.1 Å²	58.1	54%	0.535	33%	0.328	S	S	.	.			trans	-78.6	136.3	176.1	-173.5	-10.4	0	0	0	111.5	S489 L490 I491	N487-S489 PolarHBondContact ND2-OG 3.43Å; N487-S489 VanDerWaalsContact ND2-OG 3.16Å; N487-S489 PolarHBondContact O-N 3.41Å; N487-S489 PolarHBondContact OD1-N 3.4Å; N487-S489 VanDerWaalsContact OD1-N 3.16Å; N487-S489 PolarHBondContact OD1-OG 3.04Å; N487-L490 HydrophobicContact CB-CB 4.28Å; N487-L490 WeakPolarHBondContact O-CA 3.48Å; N487-L490 WeakPolarHBondContact O-CB 3.48Å; N487-L490 PolarHBondContact O-N 2.92Å; N487-I491 PolarHBondContact O-N 2.59Å; N487-I491 VanDerWaalsContact O-N 3.1Å
488	S	78.6	Confident	72.4	Confident	15 Å²	15	52.7 Å²	52.7	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-55.2	-37.8	175.9	-174.1	0	0	0	0	111.9	L490 I491 Q492 E590	S488-L490 VanDerWaalsContact C-N 3.26Å; S488-L490 PolarHBondContact O-N 2.84Å; S488-I491 PolarHBondContact O-N 2.74Å; S488-Q492 WeakPolarHBondContact O-CG 3.42Å; S488-Q492 PolarHBondContact O-N 3.46Å; S488-E590 PolarHBondContact OG-OE1 2.89Å
489	S	78.1	Confident	74.6	Confident	49 Å²	49	50.8 Å²	50.8	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-26.5	176.3	72.7	0	0	0	0	113.6	N487 S493	N487-S489 PolarHBondContact ND2-OG 3.43Å; N487-S489 VanDerWaalsContact ND2-OG 3.16Å; N487-S489 PolarHBondContact O-N 3.41Å; N487-S489 PolarHBondContact OD1-N 3.4Å; N487-S489 VanDerWaalsContact OD1-N 3.16Å; N487-S489 PolarHBondContact OD1-OG 3.04Å; S489-S493 WeakPolarHBondContact O-CB 3.36Å; S489-S493 PolarHBondContact O-N 3.34Å; S489-S493 PolarHBondContact O-OG 3.23Å
490	L	84.9	Confident	76.8	Confident	38 Å²	38	51.2 Å²	51.2	20%	0.199	29%	0.292	C	S	.	.	H	α-helix	trans	-80.4	-35.7	176.6	-176.7	59	0	0	0	111.2	C346 L349 S350 I486 N487 S488 S493 S494	C346-L490 HydrophobicContact CB-CD2 4.24Å; C346-L490 HydrophobicContact CB-CG 4.2Å; L349-L490 HydrophobicContact CB-CD1 3.89Å; L349-L490 HydrophobicContact CD1-CD1 3.79Å; S350-L490 WeakPolarHBondContact OG-CD2 3.5Å; I486-L490 HydrophobicContact CG2-CB 4.4Å; I486-L490 HydrophobicContact CG2-CD2 4.24Å; I486-L490 HydrophobicContact CG2-CG 4.5Å; N487-L490 HydrophobicContact CB-CB 4.28Å; N487-L490 WeakPolarHBondContact O-CA 3.48Å; N487-L490 WeakPolarHBondContact O-CB 3.48Å; N487-L490 PolarHBondContact O-N 2.92Å; S488-L490 VanDerWaalsContact C-N 3.26Å; S488-L490 PolarHBondContact O-N 2.84Å; L490-S493 PolarHBondContact O-N 2.98Å; L490-S494 VanDerWaalsContact O-CB 3.28Å; L490-S494 WeakPolarHBondContact O-CB 3.46Å; L490-S494 PolarHBondContact O-N 3.37Å; L490-S494 PolarHBondContact O-OG 3.07Å
491	I	85.2	Confident	78.8	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-50	170.9	-67.2	173.2	0	0	0	110	V342 I486 N487 S488 S493 S494 L495 I587	V342-I491 HydrophobicContact CG1-CG2 3.88Å; I486-I491 HydrophobicContact CB-CD1 4.38Å; I486-I491 HydrophobicContact CB-CG1 4.48Å; I486-I491 HydrophobicContact CG2-CD1 4.14Å; I486-I491 HydrophobicContact CG2-CG1 3.73Å; N487-I491 PolarHBondContact O-N 2.59Å; N487-I491 VanDerWaalsContact O-N 3.1Å; S488-I491 PolarHBondContact O-N 2.74Å; I491-S493 PolarHBondContact O-N 3.5Å; I491-S494 PolarHBondContact O-N 2.89Å; I491-L495 WeakPolarHBondContact O-CB 3.43Å; I491-L495 PolarHBondContact O-N 3.38Å; I491-I587 HydrophobicContact CG2-CB 4.45Å; I491-I587 HydrophobicContact CG2-CG2 4.08Å; I491-I587 WeakPolarHBondContact CG2-O 3.28Å
492	Q	81.3	Confident	80.9	Confident	19 Å²	19	52.4 Å²	52.4	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-45.9	176	-69.7	171.9	2.7	0	0	112	S488 S494 L495 I496	S488-Q492 WeakPolarHBondContact O-CG 3.42Å; S488-Q492 PolarHBondContact O-N 3.46Å; Q492-S494 VanDerWaalsContact C-N 3.32Å; Q492-S494 PolarHBondContact O-N 3.28Å; Q492-L495 PolarHBondContact O-N 3.19Å; Q492-I496 WeakPolarHBondContact O-CD1 3.32Å; Q492-I496 VanDerWaalsContact O-CG1 3.28Å; Q492-I496 WeakPolarHBondContact O-CG1 3.41Å; Q492-I496 PolarHBondContact O-N 3.31Å
493	S	82.9	Confident	82.6	Confident	67 Å²	67	52.7 Å²	52.7	47%	0.469	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-40	176.3	-59.7	0	0	0	0	112.4	S489 L490 I491 S497	S489-S493 WeakPolarHBondContact O-CB 3.36Å; S489-S493 PolarHBondContact O-N 3.34Å; S489-S493 PolarHBondContact O-OG 3.23Å; L490-S493 PolarHBondContact O-N 2.98Å; I491-S493 PolarHBondContact O-N 3.5Å; S493-S497 WeakPolarHBondContact O-CB 3.34Å; S493-S497 PolarHBondContact O-N 2.86Å
494	S	89.7	Confident	84.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.1	-39.6	178.6	-61.8	0	0	0	0	112.2	N345 C346 L490 I491 Q492 S497 L498	N345-S494 PolarHBondContact ND2-O 3.23Å; C346-S494 PolarHBondContact SG-OG 3.2Å; L490-S494 VanDerWaalsContact O-CB 3.28Å; L490-S494 WeakPolarHBondContact O-CB 3.46Å; L490-S494 PolarHBondContact O-N 3.37Å; L490-S494 PolarHBondContact O-OG 3.07Å; I491-S494 PolarHBondContact O-N 2.89Å; Q492-S494 VanDerWaalsContact C-N 3.32Å; Q492-S494 PolarHBondContact O-N 3.28Å; S494-S497 PolarHBondContact O-N 3.39Å; S494-L498 WeakPolarHBondContact O-CG 3.39Å; S494-L498 PolarHBondContact O-N 2.92Å
495	L	88.7	Confident	85.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-49	173.8	178.9	67.6	0	0	0	111.6	Y235 L338 V342 I491 Q492 S497 L498 I499 L509 I587 F588	Y235-L495 HydrophobicContact CD1-CD2 4.12Å; Y235-L495 HydrophobicContact CD2-CD2 4.29Å; Y235-L495 HydrophobicContact CE1-CD2 4.48Å; Y235-L495 HydrophobicContact CG-CD2 4.05Å; L338-L495 HydrophobicContact CD1-CD1 4.08Å; L338-L495 HydrophobicContact CD2-CD1 4.29Å; L338-L495 HydrophobicContact CG-CD1 4.5Å; V342-L495 HydrophobicContact CG2-CB 4.27Å; V342-L495 HydrophobicContact CG2-CD1 4.06Å; I491-L495 WeakPolarHBondContact O-CB 3.43Å; I491-L495 PolarHBondContact O-N 3.38Å; Q492-L495 PolarHBondContact O-N 3.19Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 2.85Å; L495-L498 PolarHBondContact O-N 2.58Å; L495-I499 HydrophobicContact CD1-CD1 3.88Å; L495-I499 HydrophobicContact CD1-CG1 4.36Å; L495-I499 HydrophobicContact CG-CD1 3.88Å; L495-I499 WeakPolarHBondContact O-CB 3.46Å; L495-I499 WeakPolarHBondContact O-CG1 3.28Å; L495-I499 PolarHBondContact O-N 3Å; L495-L509 HydrophobicContact CD1-CD2 4.48Å; L495-L509 HydrophobicContact CD2-CD2 4.2Å; L495-I587 HydrophobicContact CD2-CG2 3.9Å; L495-F588 HydrophobicContact CD2-CE1 3.96Å; L495-F588 HydrophobicContact CD2-CZ 3.76Å
496	I	85.5	Confident	86.7	Confident	40 Å²	40	45.5 Å²	45.5	21%	0.205	25%	0.25	C	S	.	.	H	α-helix	trans	-58.8	-43.9	176.2	-68.7	162.1	0	0	0	110.3	P233 Q492 L498 N500	P233-I496 WeakPolarHBondContact O-CD1 3.5Å; Q492-I496 WeakPolarHBondContact O-CD1 3.32Å; Q492-I496 VanDerWaalsContact O-CG1 3.28Å; Q492-I496 WeakPolarHBondContact O-CG1 3.41Å; Q492-I496 PolarHBondContact O-N 3.31Å; I496-L498 PolarHBondContact O-N 2.84Å; I496-N500 WeakPolarHBondContact CG2-ND2 3.3Å; I496-N500 WeakPolarHBondContact O-CB 3.35Å; I496-N500 VanDerWaalsContact O-CG 3.26Å; I496-N500 PolarHBondContact O-N 3.29Å; I496-N500 PolarHBondContact O-ND2 2.87Å
497	S	89	Confident	87.5	Confident	45 Å²	45	44.5 Å²	44.5	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-42.9	177.8	-172.6	0	0	0	0	112.5	S493 S494 L495 Q501	S493-S497 WeakPolarHBondContact O-CB 3.34Å; S493-S497 PolarHBondContact O-N 2.86Å; S494-S497 PolarHBondContact O-N 3.39Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 2.85Å; S497-Q501 VanDerWaalsContact O-CG 3.27Å; S497-Q501 WeakPolarHBondContact O-CG 3.48Å; S497-Q501 PolarHBondContact O-N 2.93Å; S497-Q501 PolarHBondContact O-NE2 3.17Å; S497-Q501 PolarHBondContact OG-NE2 3.46Å; S497-Q501 VanDerWaalsContact OG-NE2 3.08Å
498	L	91.7	Very high	88.1	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-70.2	-43.3	178.5	-72.4	163.5	0	0	0	112.4	Q341 V342 N345 S494 L495 I496 N500 Q501 E502 Y505	Q341-L498 HydrophobicContact CB-CD1 3.9Å; Q341-L498 HydrophobicContact CB-CD2 4.34Å; V342-L498 HydrophobicContact CB-CD1 4.32Å; V342-L498 HydrophobicContact CG2-CD1 3.69Å; N345-L498 HydrophobicContact CB-CD1 4.41Å; S494-L498 WeakPolarHBondContact O-CG 3.39Å; S494-L498 PolarHBondContact O-N 2.92Å; L495-L498 PolarHBondContact O-N 2.58Å; I496-L498 PolarHBondContact O-N 2.84Å; L498-N500 VanDerWaalsContact C-N 3.29Å; L498-N500 PolarHBondContact O-N 3.2Å; L498-Q501 PolarHBondContact O-N 3.34Å; L498-E502 PolarHBondContact O-N 2.81Å; L498-Y505 HydrophobicContact CB-CD2 4.06Å; L498-Y505 HydrophobicContact CB-CE2 4.43Å; L498-Y505 HydrophobicContact CD2-CE2 4.43Å
499	I	90.2	Very high	88.8	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-39.8	176.4	-76.4	171.4	0	0	0	111.6	L495 Q501 E502 L506 L509	L495-I499 HydrophobicContact CD1-CD1 3.88Å; L495-I499 HydrophobicContact CD1-CG1 4.36Å; L495-I499 HydrophobicContact CG-CD1 3.88Å; L495-I499 WeakPolarHBondContact O-CB 3.46Å; L495-I499 WeakPolarHBondContact O-CG1 3.28Å; L495-I499 PolarHBondContact O-N 3Å; I499-Q501 VanDerWaalsContact C-N 3.26Å; I499-Q501 PolarHBondContact O-N 3.28Å; I499-E502 CarbonylContact O-C 3.58Å; I499-L506 HydrophobicContact CD1-CD1 4.46Å; I499-L506 HydrophobicContact CG1-CB 4.34Å; I499-L506 HydrophobicContact CG2-CB 3.98Å; I499-L506 HydrophobicContact CG2-CD2 4.5Å; I499-L509 HydrophobicContact CD1-CD2 4Å
500	N	88.3	Confident	89.6	Confident	127 Å²	127	39.2 Å²	39.2	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-70.1	-19.6	176.3	-73.6	-33.7	0	0	0	113.7	I496 L498	I496-N500 WeakPolarHBondContact CG2-ND2 3.3Å; I496-N500 WeakPolarHBondContact O-CB 3.35Å; I496-N500 VanDerWaalsContact O-CG 3.26Å; I496-N500 PolarHBondContact O-N 3.29Å; I496-N500 PolarHBondContact O-ND2 2.87Å; L498-N500 VanDerWaalsContact C-N 3.29Å; L498-N500 PolarHBondContact O-N 3.2Å
501	Q	91.1	Very high	90.2	Very high	137 Å²	137	38 Å²	38	64%	0.64	20%	0.201	S	C	*	.	H	α-helix	trans	-90.6	-41.7	176.7	-72.1	170.5	57.7	0	0	112	S497 L498 I499	S497-Q501 VanDerWaalsContact O-CG 3.27Å; S497-Q501 WeakPolarHBondContact O-CG 3.48Å; S497-Q501 PolarHBondContact O-N 2.93Å; S497-Q501 PolarHBondContact O-NE2 3.17Å; S497-Q501 PolarHBondContact OG-NE2 3.46Å; S497-Q501 VanDerWaalsContact OG-NE2 3.08Å; L498-Q501 PolarHBondContact O-N 3.34Å; I499-Q501 VanDerWaalsContact C-N 3.26Å; I499-Q501 PolarHBondContact O-N 3.28Å
502	E	91.4	Very high	90.7	Very high	78 Å²	78	37.8 Å²	37.8	36%	0.364	20%	0.2	S	C	.	.			trans	-136.5	96.1	-176.2	-177.4	-177.5	164.4	0	0	110.3	L498 I499 E504 Y505	L498-E502 PolarHBondContact O-N 2.81Å; I499-E502 CarbonylContact O-C 3.58Å; E502-E504 PolarHBondContact O-N 3.34Å; E502-Y505 HydrophobicContact CB-CD2 3.66Å; E502-Y505 HydrophobicContact CB-CE2 3.57Å; E502-Y505 VanDerWaalsContact CD-CE2 3.47Å; E502-Y505 HydrophobicContact CG-CD2 4.09Å; E502-Y505 HydrophobicContact CG-CE2 3.9Å; E502-Y505 WeakPolarHBondContact O-CB 3.4Å; E502-Y505 WeakPolarHBondContact O-CD2 3.3Å; E502-Y505 PolarHBondContact O-N 3.23Å; E502-Y505 WeakPolarHBondContact OE2-CE2 3.41Å; E502-Y505 PolarHBondContact OE2-OH 3.36Å
503	P	87.8	Confident	91.3	Very high	89 Å²	89	37.2 Å²	37.2	58%	0.578	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.8	-176.3	-28.7	37.1	0	0	0	116.1	Y505 L506 L507	P503-Y505 PolarHBondContact O-N 3.01Å; P503-L506 WeakPolarHBondContact O-CB 3.45Å; P503-L506 PolarHBondContact O-N 2.97Å; P503-L507 PolarHBondContact O-N 2.97Å
504	E	93.1	Very high	92	Very high	54 Å²	54	34.1 Å²	34.1	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-66.9	-21.3	172.2	-64.1	-65.8	111.7	0	0	112.1	R314 R318 E502 L506 L507 R508	R314-E504 IonicContact CZ-OE1 3.46Å; R314-E504 IonicContact NE-OE1 3.75Å; R314-E504 PolarHBondContact NE-OE1 3.45Å; R314-E504 IonicContact NH2-OE1 3.8Å; R314-E504 PolarHBondContact NH2-OE1 2.82Å; R314-E504 IonicContact NH2-OE2 3.73Å; R318-E504 IonicContact CZ-OE2 3.55Å; R318-E504 IonicContact NH1-OE2 2.69Å; R318-E504 PolarHBondContact NH1-OE2 2.89Å; R318-E504 IonicContact NH2-OE2 2.69Å; E502-E504 PolarHBondContact O-N 3.34Å; E504-L506 VanDerWaalsContact C-N 3.33Å; E504-L507 PolarHBondContact O-N 3.35Å; E504-L507 VanDerWaalsContact OE1-CD1 3.26Å; E504-L507 WeakPolarHBondContact OE1-CD1 3.41Å; E504-R508 WeakPolarHBondContact O-CG 3.31Å; E504-R508 PolarHBondContact O-N 3.1Å
505	Y	93.5	Very high	92.4	Very high	19 Å²	19	34.1 Å²	34.1	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-33.8	171.2	-68.5	-48.3	0	0	0	112.8	L338 L498 E502 P503 R508 L509	L338-Y505 HydrophobicContact CB-CD1 3.91Å; L338-Y505 HydrophobicContact CB-CE1 4.35Å; L338-Y505 HydrophobicContact CD1-CD1 3.66Å; L338-Y505 HydrophobicContact CD1-CD2 4.44Å; L338-Y505 HydrophobicContact CD1-CE1 4.35Å; L338-Y505 HydrophobicContact CD1-CG 3.75Å; L338-Y505 HydrophobicContact CD2-CD1 4.4Å; L338-Y505 HydrophobicContact CG-CD1 4.18Å; L498-Y505 HydrophobicContact CB-CD2 4.06Å; L498-Y505 HydrophobicContact CB-CE2 4.43Å; L498-Y505 HydrophobicContact CD2-CE2 4.43Å; E502-Y505 HydrophobicContact CB-CD2 3.66Å; E502-Y505 HydrophobicContact CB-CE2 3.57Å; E502-Y505 VanDerWaalsContact CD-CE2 3.47Å; E502-Y505 HydrophobicContact CG-CD2 4.09Å; E502-Y505 HydrophobicContact CG-CE2 3.9Å; E502-Y505 WeakPolarHBondContact O-CB 3.4Å; E502-Y505 WeakPolarHBondContact O-CD2 3.3Å; E502-Y505 PolarHBondContact O-N 3.23Å; E502-Y505 WeakPolarHBondContact OE2-CE2 3.41Å; E502-Y505 PolarHBondContact OE2-OH 3.36Å; P503-Y505 PolarHBondContact O-N 3.01Å; Y505-R508 PolarHBondContact O-N 3.06Å; Y505-L509 WeakPolarHBondContact O-CB 3.32Å; Y505-L509 PolarHBondContact O-N 3.48Å
506	L	91.9	Very high	92.8	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-43.5	172.6	176.8	58.7	0	0	0	110.3	L236 I499 P503 E504 L509 L510	L236-L506 HydrophobicContact CD2-CD1 3.71Å; I499-L506 HydrophobicContact CD1-CD1 4.46Å; I499-L506 HydrophobicContact CG1-CB 4.34Å; I499-L506 HydrophobicContact CG2-CB 3.98Å; I499-L506 HydrophobicContact CG2-CD2 4.5Å; P503-L506 WeakPolarHBondContact O-CB 3.45Å; P503-L506 PolarHBondContact O-N 2.97Å; E504-L506 VanDerWaalsContact C-N 3.33Å; L506-L509 PolarHBondContact O-N 3.45Å; L506-L510 HydrophobicContact CD1-CD1 4.08Å; L506-L510 HydrophobicContact CD1-CG 4.05Å; L506-L510 HydrophobicContact CG-CD1 3.93Å; L506-L510 HydrophobicContact CG-CG 4.36Å; L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 WeakPolarHBondContact O-CG 3.23Å; L506-L510 PolarHBondContact O-N 2.9Å
507	L	93.6	Very high	93.4	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.5	-63.8	178.5	0	0	0	112.2	R314 S315 R318 P503 E504 L509 L510 M511	R314-L507 HydrophobicContact CG-CD1 4.37Å; S315-L507 WeakPolarHBondContact OG-CD2 3.39Å; R318-L507 HydrophobicContact CG-CD1 4.45Å; P503-L507 PolarHBondContact O-N 2.97Å; E504-L507 PolarHBondContact O-N 3.35Å; E504-L507 VanDerWaalsContact OE1-CD1 3.26Å; E504-L507 WeakPolarHBondContact OE1-CD1 3.41Å; L507-L509 VanDerWaalsContact C-N 3.29Å; L507-L509 PolarHBondContact O-N 2.88Å; L507-L510 PolarHBondContact O-N 3.08Å; L507-M511 WeakPolarHBondContact O-CB 3.31Å; L507-M511 WeakPolarHBondContact O-CG 3.43Å; L507-M511 PolarHBondContact O-N 2.74Å
508	R	94.1	Very high	93.9	Very high	53 Å²	53	30.9 Å²	30.9	20%	0.2	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-40.8	176.2	-68.3	164.5	-172.4	-127.2	2.7	112	Q334 E504 Y505 I512	Q334-R508 HydrophobicContact CB-CG 4.27Å; Q334-R508 PolarHBondContact O-NH1 2.95Å; E504-R508 WeakPolarHBondContact O-CG 3.31Å; E504-R508 PolarHBondContact O-N 3.1Å; Y505-R508 PolarHBondContact O-N 3.06Å; R508-I512 WeakPolarHBondContact O-CG1 3.32Å; R508-I512 PolarHBondContact O-N 3.49Å; R508-I512 VanDerWaalsContact O-N 3.17Å
509	L	93.5	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-49.1	175	174.1	59	0	0	0	111.7	Y235 F335 L338 L495 I499 Y505 L506 L507 M511 I512 L513 F588	Y235-L509 HydrophobicContact CD2-CD2 3.57Å; Y235-L509 HydrophobicContact CE2-CD2 3.68Å; F335-L509 HydrophobicContact CE2-CD1 4Å; L338-L509 HydrophobicContact CD2-CB 4.35Å; L495-L509 HydrophobicContact CD1-CD2 4.48Å; L495-L509 HydrophobicContact CD2-CD2 4.2Å; I499-L509 HydrophobicContact CD1-CD2 4Å; Y505-L509 WeakPolarHBondContact O-CB 3.32Å; Y505-L509 PolarHBondContact O-N 3.48Å; L506-L509 PolarHBondContact O-N 3.45Å; L507-L509 VanDerWaalsContact C-N 3.29Å; L507-L509 PolarHBondContact O-N 2.88Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 3.04Å; L509-I512 PolarHBondContact O-N 3.31Å; L509-L513 HydrophobicContact CD1-CD1 3.77Å; L509-L513 HydrophobicContact CD1-CD2 4.48Å; L509-L513 HydrophobicContact CD1-CG 3.92Å; L509-L513 HydrophobicContact CG-CD1 3.81Å; L509-L513 HydrophobicContact CG-CG 4.4Å; L509-L513 WeakPolarHBondContact O-CB 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.33Å; L509-L513 PolarHBondContact O-N 3.47Å; L509-F588 HydrophobicContact CD1-CE2 3.5Å; L509-F588 VanDerWaalsContact CD1-CE2 3.5Å; L509-F588 HydrophobicContact CD1-CZ 3.63Å; L509-F588 HydrophobicContact CD2-CZ 4.19Å
510	L	94.2	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-40.8	178.4	-68.4	170.1	0	0	0	112.4	L236 D240 I243 L244 L506 L507 L514	L236-L510 HydrophobicContact CD2-CD2 3.94Å; D240-L510 HydrophobicContact CB-CD2 4.4Å; I243-L510 HydrophobicContact CG2-CD1 4.35Å; L244-L510 HydrophobicContact CD1-CD2 3.93Å; L244-L510 HydrophobicContact CD2-CB 4.4Å; L244-L510 HydrophobicContact CD2-CD2 3.62Å; L244-L510 HydrophobicContact CG-CD2 3.57Å; L506-L510 HydrophobicContact CD1-CD1 4.08Å; L506-L510 HydrophobicContact CD1-CG 4.05Å; L506-L510 HydrophobicContact CG-CD1 3.93Å; L506-L510 HydrophobicContact CG-CG 4.36Å; L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 WeakPolarHBondContact O-CG 3.23Å; L506-L510 PolarHBondContact O-N 2.9Å; L507-L510 PolarHBondContact O-N 3.08Å; L510-L514 PolarHBondContact O-N 2.79Å
511	M	97	Very high	95	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.064	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-50.5	175.7	-71.5	160.2	58.8	0	0	111.8	R318 S322 L507 L509 L514 K515	R318-M511 HydrophobicContact CB-CG 4.47Å; R318-M511 HydrophobicContact CB-SD 4.24Å; S322-M511 WeakPolarHBondContact OG-CB 3.43Å; L507-M511 WeakPolarHBondContact O-CB 3.31Å; L507-M511 WeakPolarHBondContact O-CG 3.43Å; L507-M511 PolarHBondContact O-N 2.74Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 3.04Å; M511-L514 PolarHBondContact O-N 3.42Å; M511-K515 PolarHBondContact O-N 2.95Å
512	I	95.5	Very high	95.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-69.8	-36.6	-179.6	-63.1	-65.8	0	0	0	112.4	C331 F335 R508 L509 L514 K515 V516 L580 L584	C331-I512 HydrophobicContact CB-CD1 3.96Å; F335-I512 HydrophobicContact CB-CD1 4.16Å; F335-I512 HydrophobicContact CB-CG1 3.63Å; F335-I512 HydrophobicContact CD1-CG2 4.49Å; F335-I512 HydrophobicContact CD2-CB 4.07Å; F335-I512 HydrophobicContact CD2-CG1 3.76Å; F335-I512 HydrophobicContact CD2-CG2 4.44Å; F335-I512 HydrophobicContact CE2-CB 4.43Å; F335-I512 HydrophobicContact CG-CB 4.32Å; F335-I512 HydrophobicContact CG-CG1 3.72Å; F335-I512 HydrophobicContact CG-CG2 4.41Å; R508-I512 WeakPolarHBondContact O-CG1 3.32Å; R508-I512 PolarHBondContact O-N 3.49Å; R508-I512 VanDerWaalsContact O-N 3.17Å; L509-I512 PolarHBondContact O-N 3.31Å; I512-L514 VanDerWaalsContact C-N 3.29Å; I512-L514 PolarHBondContact O-N 3.18Å; I512-K515 PolarHBondContact O-N 3.47Å; I512-V516 HydrophobicContact CG2-CG2 4.34Å; I512-V516 WeakPolarHBondContact O-CB 3.27Å; I512-V516 WeakPolarHBondContact O-CG2 3.21Å; I512-V516 PolarHBondContact O-N 2.96Å; I512-L580 HydrophobicContact CD1-CD1 3.76Å; I512-L580 HydrophobicContact CG2-CD1 4.05Å; I512-L584 HydrophobicContact CG2-CD2 3.73Å; I512-L584 HydrophobicContact CG2-CG 3.92Å
513	L	95.6	Very high	95.6	Very high	7 Å²	7	15 Å²	15	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-41.5	172.3	-72.5	169.2	0	0	0	111.3	I203 L244 L509 C517 L584	I203-L513 HydrophobicContact CG2-CD2 3.73Å; L244-L513 HydrophobicContact CD1-CD1 4.35Å; L244-L513 HydrophobicContact CD2-CB 4.15Å; L509-L513 HydrophobicContact CD1-CD1 3.77Å; L509-L513 HydrophobicContact CD1-CD2 4.48Å; L509-L513 HydrophobicContact CD1-CG 3.92Å; L509-L513 HydrophobicContact CG-CD1 3.81Å; L509-L513 HydrophobicContact CG-CG 4.4Å; L509-L513 WeakPolarHBondContact O-CB 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.33Å; L509-L513 PolarHBondContact O-N 3.47Å; L513-C517 PolarHBondContact O-N 2.96Å; L513-C517 PolarHBondContact O-SG 3Å; L513-L584 HydrophobicContact CD2-CD1 4.24Å; L513-L584 HydrophobicContact CD2-CD2 4.27Å
514	L	97.1	Very high	96.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-69.3	-50.6	174.1	-178	59.5	0	0	0	111.9	V196 A248 C319 T323 L510 M511 I512 V516 C517 D518	V196-L514 HydrophobicContact CG1-CD1 3.83Å; A248-L514 HydrophobicContact CB-CD1 4.03Å; C319-L514 HydrophobicContact CB-CD2 3.78Å; T323-L514 HydrophobicContact CG2-CD2 3.94Å; T323-L514 HydrophobicContact CG2-CG 4.12Å; L510-L514 PolarHBondContact O-N 2.79Å; M511-L514 PolarHBondContact O-N 3.42Å; I512-L514 VanDerWaalsContact C-N 3.29Å; I512-L514 PolarHBondContact O-N 3.18Å; L514-V516 PolarHBondContact O-N 3.23Å; L514-C517 WeakPolarHBondContact O-CB 3.39Å; L514-C517 PolarHBondContact O-N 3.32Å; L514-D518 WeakPolarHBondContact O-CB 3.47Å; L514-D518 PolarHBondContact O-N 2.98Å
515	K	97.9	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.2	-35.7	179.9	-73.6	-160.3	80	74.6	0	113.2	S322 T323 D324 M325 C331 M511 I512 I519 L580	S322-K515 WeakPolarHBondContact O-CD 3.3Å; S322-K515 WeakPolarHBondContact O-CE 3.46Å; S322-K515 WeakPolarHBondContact O-CG 3.35Å; S322-K515 PolarHBondContact O-NZ 2.97Å; T323-K515 VanDerWaalsContact C-NZ 3.28Å; T323-K515 PolarHBondContact O-NZ 2.95Å; D324-K515 PolarHBondContact O-NZ 2.92Å; M325-K515 PolarHBondContact SD-NZ 3.32Å; M325-K515 VanDerWaalsContact SD-NZ 3.44Å; C331-K515 HydrophobicContact CB-CD 4.13Å; M511-K515 PolarHBondContact O-N 2.95Å; I512-K515 PolarHBondContact O-N 3.47Å; K515-I519 WeakPolarHBondContact O-CG1 3.44Å; K515-I519 PolarHBondContact O-N 3.48Å; K515-L580 HydrophobicContact CB-CD2 4.09Å
516	V	97	Very high	96.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-68.7	-40	175	165.5	0	0	0	0	111.8	I203 I512 L514 S520 L580 V581 L584	I203-V516 HydrophobicContact CD1-CG1 4.29Å; I512-V516 HydrophobicContact CG2-CG2 4.34Å; I512-V516 WeakPolarHBondContact O-CB 3.27Å; I512-V516 WeakPolarHBondContact O-CG2 3.21Å; I512-V516 PolarHBondContact O-N 2.96Å; L514-V516 PolarHBondContact O-N 3.23Å; V516-S520 VanDerWaalsContact O-CB 3.25Å; V516-S520 WeakPolarHBondContact O-CB 3.4Å; V516-S520 PolarHBondContact O-N 2.94Å; V516-L580 HydrophobicContact CB-CD2 4.49Å; V516-L580 HydrophobicContact CG2-CB 4.44Å; V516-L580 HydrophobicContact CG2-CD2 3.55Å; V516-L580 HydrophobicContact CG2-CG 3.52Å; V516-V581 HydrophobicContact CG1-CG2 3.97Å; V516-V581 HydrophobicContact CG2-CG2 4.36Å; V516-L584 HydrophobicContact CB-CD1 3.99Å; V516-L584 HydrophobicContact CG1-CD1 4.05Å; V516-L584 HydrophobicContact CG2-CD1 3.66Å; V516-L584 HydrophobicContact CG2-CG 4.25Å
517	C	98.1	Very high	96.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-72.5	-37.3	-179.8	-70.8	0	0	0	0	113.3	V196 M199 V200 L513 L514 S520	V196-C517 HydrophobicContact CG1-CB 4.09Å; M199-C517 HydrophobicContact CB-CB 3.91Å; M199-C517 HydrophobicContact CG-CB 4.06Å; V200-C517 VanDerWaalsContact CA-SG 3.59Å; V200-C517 HydrophobicContact CG2-CB 3.59Å; V200-C517 VanDerWaalsContact CG2-SG 3.5Å; V200-C517 PolarHBondContact N-SG 2.97Å; L513-C517 PolarHBondContact O-N 2.96Å; L513-C517 PolarHBondContact O-SG 3Å; L514-C517 WeakPolarHBondContact O-CB 3.39Å; L514-C517 PolarHBondContact O-N 3.32Å; C517-S520 WeakPolarHBondContact O-CB 3.41Å; C517-S520 PolarHBondContact O-OG 3.31Å
518	D	98.8	Very high	96.6	Very high	16 Å²	16	18.5 Å²	18.5	9%	0.086	10%	0.099	C	C	.	.	H	α-helix	trans	-52.7	-67.4	172.4	168.5	0.8	0	0	0	109.6	H192 V196 T323 L514 S520	H192-D518 PolarHBondContact NE2-O 3.24Å; H192-D518 IonicContact NE2-OD1 3.7Å; H192-D518 PolarHBondContact NE2-OD1 2.98Å; V196-D518 HydrophobicContact CG1-CB 4.38Å; T323-D518 WeakPolarHBondContact CB-OD2 3.49Å; T323-D518 WeakPolarHBondContact CG2-OD2 3.2Å; L514-D518 WeakPolarHBondContact O-CB 3.47Å; L514-D518 PolarHBondContact O-N 2.98Å; D518-S520 PolarHBondContact O-N 3.48Å
519	I	98.3	Very high	96.8	Very high	21 Å²	21	16 Å²	16	11%	0.108	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	20.4	-173.9	81.1	-171.8	0	0	0	113.3	M325 K515 N521 F572 I576 L577 L580	M325-I519 HydrophobicContact SD-CG2 4.35Å; K515-I519 WeakPolarHBondContact O-CG1 3.44Å; K515-I519 PolarHBondContact O-N 3.48Å; I519-N521 VanDerWaalsContact C-N 3.34Å; I519-N521 PolarHBondContact O-N 3.16Å; I519-F572 HydrophobicContact CB-CE2 4.39Å; I519-F572 HydrophobicContact CB-CZ 3.91Å; I519-F572 HydrophobicContact CD1-CE2 4.3Å; I519-F572 HydrophobicContact CD1-CZ 4.13Å; I519-F572 HydrophobicContact CG1-CZ 4.03Å; I519-I576 HydrophobicContact CD1-CG2 3.68Å; I519-L577 HydrophobicContact CG1-CD1 4.04Å; I519-L580 HydrophobicContact CD1-CD2 3.85Å
520	S	98	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-77.1	-4	-168.5	69.6	0	0	0	0	116.5	V516 C517 D518 E522 I523	V516-S520 VanDerWaalsContact O-CB 3.25Å; V516-S520 WeakPolarHBondContact O-CB 3.4Å; V516-S520 PolarHBondContact O-N 2.94Å; C517-S520 WeakPolarHBondContact O-CB 3.41Å; C517-S520 PolarHBondContact O-OG 3.31Å; D518-S520 PolarHBondContact O-N 3.48Å; S520-E522 PolarHBondContact O-N 3.13Å; S520-E522 VanDerWaalsContact O-N 3.13Å; S520-I523 VanDerWaalsContact O-CB 3.28Å; S520-I523 WeakPolarHBondContact O-CB 3.48Å; S520-I523 PolarHBondContact O-N 3.23Å
521	N	98.2	Very high	97.1	Very high	11 Å²	11	20 Å²	20	6%	0.059	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32.2	-168.3	-79.4	-29.9	0	0	0	113.9	H192 I519 I523 R524 A529 W532	H192-N521 PolarHBondContact CE1-ND2 3.45Å; I519-N521 VanDerWaalsContact C-N 3.34Å; I519-N521 PolarHBondContact O-N 3.16Å; N521-I523 VanDerWaalsContact C-N 3.28Å; N521-I523 PolarHBondContact O-N 2.97Å; N521-R524 WeakPolarHBondContact O-CB 3.45Å; N521-R524 WeakPolarHBondContact O-CG 3.43Å; N521-R524 PolarHBondContact O-N 3.34Å; N521-A529 WeakPolarHBondContact O-CB 3.47Å; N521-W532 HydrophobicContact CB-CB 4.06Å; N521-W532 HydrophobicContact CB-CG 4.2Å
522	E	97.9	Very high	97.2	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.037	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-77.7	-5.2	177	-58.4	-73.1	-156.7	0	0	114.1	S520 R524 V533 Q569 F572 L573 L577 R601 F605	S520-E522 PolarHBondContact O-N 3.13Å; S520-E522 VanDerWaalsContact O-N 3.13Å; E522-R524 VanDerWaalsContact C-N 3.29Å; E522-V533 VanDerWaalsContact OE1-CG2 3.25Å; E522-V533 WeakPolarHBondContact OE1-CG2 3.21Å; E522-Q569 PolarHBondContact OE1-NE2 3.05Å; E522-F572 HydrophobicContact CG-CD1 4.39Å; E522-F572 HydrophobicContact CG-CE1 4.17Å; E522-L573 HydrophobicContact CB-CD2 4.09Å; E522-L577 HydrophobicContact CB-CD2 3.8Å; E522-R601 HydrophobicContact CB-CG 4.05Å; E522-R601 VanDerWaalsContact O-CB 3.3Å; E522-R601 WeakPolarHBondContact O-CB 3.33Å; E522-R601 WeakPolarHBondContact O-CG 3.38Å; E522-R601 IonicContact OE2-CZ 2.67Å; E522-R601 VanDerWaalsContact OE2-CZ 3.29Å; E522-R601 IonicContact OE2-NE 3.42Å; E522-R601 PolarHBondContact OE2-NE 3.16Å; E522-R601 IonicContact OE2-NH2 3.37Å; E522-R601 PolarHBondContact OE2-NH2 3.15Å; E522-F605 WeakPolarHBondContact OE1-CE2 3.24Å
523	I	97.3	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-79.3	-16.5	170.1	-64.6	167.2	0	0	0	111.1	H135 M199 S520 N521 L577 V581 L594 S597 A598	H135-I523 HydrophobicContact CB-CG2 4.32Å; H135-I523 PolarHBondContact CD2-O 2.92Å; M199-I523 HydrophobicContact CE-CG2 4.48Å; S520-I523 VanDerWaalsContact O-CB 3.28Å; S520-I523 WeakPolarHBondContact O-CB 3.48Å; S520-I523 PolarHBondContact O-N 3.23Å; N521-I523 VanDerWaalsContact C-N 3.28Å; N521-I523 PolarHBondContact O-N 2.97Å; I523-L577 HydrophobicContact CD1-CD1 4.09Å; I523-L577 HydrophobicContact CG1-CD1 4.42Å; I523-L577 HydrophobicContact CG1-CD2 4.22Å; I523-V581 HydrophobicContact CD1-CG2 4.05Å; I523-L594 HydrophobicContact CD1-CB 4.34Å; I523-L594 HydrophobicContact CG2-CB 3.92Å; I523-L594 HydrophobicContact CG2-CD2 3.83Å; I523-L594 HydrophobicContact CG2-CG 4.43Å; I523-S597 VanDerWaalsContact O-CB 3.26Å; I523-S597 WeakPolarHBondContact O-CB 3.27Å; I523-A598 HydrophobicContact CG1-CB 4.37Å
524	R	97.3	Very high	97.4	Very high	10 Å²	10	24 Å²	24	4%	0.038	14%	0.138	C	C	.	.	S	Bend	trans	-83.6	174.1	-171.9	-54	-176.3	168.2	-85.6	7.1	111.3	H135 M195 M199 N521 E522 V528	H135-R524 PolarHBondContact O-NH1 3.18Å; M195-R524 VanDerWaalsContact CE-CZ 3.41Å; M195-R524 PolarHBondContact O-NH2 3.05Å; M199-R524 HydrophobicContact CE-CG 4.45Å; N521-R524 WeakPolarHBondContact O-CB 3.45Å; N521-R524 WeakPolarHBondContact O-CG 3.43Å; N521-R524 PolarHBondContact O-N 3.34Å; E522-R524 VanDerWaalsContact C-N 3.29Å; R524-V528 HydrophobicContact CB-CB 4.28Å; R524-V528 HydrophobicContact CB-CG1 4.22Å
525	S	95.4	Very high	97.5	Very high	41 Å²	41	25.3 Å²	25.3	29%	0.287	15%	0.147	S	C	.	.			trans	-64.2	148	175.7	50.8	0	0	0	0	111	L527 V528 A529	S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 3.44Å; S525-V528 WeakPolarHBondContact O-CA 3.17Å; S525-V528 WeakPolarHBondContact O-CB 3.1Å; S525-V528 PolarHBondContact O-N 2.44Å; S525-V528 WeakPolarHBondContact OG-CG2 3.42Å; S525-A529 PolarHBondContact O-N 3.02Å
526	P	95.1	Very high	97.5	Very high	60 Å²	60	26.8 Å²	26.8	39%	0.39	16%	0.155	S	C	.	.	H	α-helix	trans	-52.2	-44.9	-176.9	-30.1	36.3	0	0	0	113.6	V528 A529 D530	P526-V528 PolarHBondContact O-N 3.15Å; P526-A529 PolarHBondContact O-N 2.97Å; P526-D530 WeakPolarHBondContact O-CB 3.27Å; P526-D530 VanDerWaalsContact O-CG 3.32Å; P526-D530 PolarHBondContact O-N 3.3Å
527	L	94.3	Very high	97.6	Very high	145 Å²	145	26.7 Å²	26.7	76%	0.759	15%	0.154	S	C	*	.	H	α-helix	trans	-54.6	-20	175.1	-64.8	174.5	0	0	0	115.3	S525	S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 3.44Å
528	V	98	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-100.4	-43.1	175.2	179.8	0	0	0	0	110.6	N138 W140 M195 R524 S525 P526 W532	N138-V528 HydrophobicContact CB-CG2 3.64Å; W140-V528 PolarHBondContact NE1-O 3.14Å; M195-V528 HydrophobicContact CE-CG1 3.47Å; M195-V528 VanDerWaalsContact CE-CG1 3.47Å; R524-V528 HydrophobicContact CB-CB 4.28Å; R524-V528 HydrophobicContact CB-CG1 4.22Å; S525-V528 WeakPolarHBondContact O-CA 3.17Å; S525-V528 WeakPolarHBondContact O-CB 3.1Å; S525-V528 PolarHBondContact O-N 2.44Å; S525-V528 WeakPolarHBondContact OG-CG2 3.42Å; P526-V528 PolarHBondContact O-N 3.15Å; V528-W532 VanDerWaalsContact O-CD1 3.23Å; V528-W532 PolarHBondContact O-N 3.31Å
529	A	98	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-43.2	-177.6	0	0	0	0	0	112.9	N521 S525 P526 A531 W532 V533	N521-A529 WeakPolarHBondContact O-CB 3.47Å; S525-A529 PolarHBondContact O-N 3.02Å; P526-A529 PolarHBondContact O-N 2.97Å; A529-A531 VanDerWaalsContact C-N 3.33Å; A529-A531 PolarHBondContact O-N 3.44Å; A529-W532 CarbonylContact O-C 3.53Å; A529-W532 WeakPolarHBondContact O-CA 3.44Å; A529-W532 WeakPolarHBondContact O-CB 3.31Å; A529-W532 PolarHBondContact O-N 2.98Å; A529-V533 WeakPolarHBondContact O-CG2 3.34Å; A529-V533 PolarHBondContact O-N 3.46Å
530	D	97.3	Very high	97.5	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-62.2	-39.5	-178.7	-67.3	-41.3	0	0	0	112.2	P526 W532 V533 D534 R601	P526-D530 WeakPolarHBondContact O-CB 3.27Å; P526-D530 VanDerWaalsContact O-CG 3.32Å; P526-D530 PolarHBondContact O-N 3.3Å; D530-W532 VanDerWaalsContact C-N 3.32Å; D530-W532 PolarHBondContact O-N 2.71Å; D530-V533 PolarHBondContact O-N 3.2Å; D530-D534 PolarHBondContact O-N 3Å; D530-R601 IonicContact OD1-CZ 2.69Å; D530-R601 IonicContact OD1-NH1 2.75Å; D530-R601 PolarHBondContact OD1-NH1 3.05Å; D530-R601 IonicContact OD1-NH2 3.23Å; D530-R601 PolarHBondContact OD1-NH2 3.26Å; D530-R601 IonicContact OD2-NH1 2.63Å; D530-R601 PolarHBondContact OD2-NH1 3.04Å
531	A	97.9	Very high	97.4	Very high	36 Å²	36	33.5 Å²	33.5	30%	0.298	19%	0.186	S	C	.	.	H	α-helix	trans	-64.7	-34.8	173.5	0	0	0	0	0	112.5	W140 A529 C535	W140-A531 HydrophobicContact CD2-CB 4.49Å; W140-A531 HydrophobicContact CZ2-CB 3.89Å; A529-A531 VanDerWaalsContact C-N 3.33Å; A529-A531 PolarHBondContact O-N 3.44Å; A531-C535 PolarHBondContact O-N 2.74Å; A531-C535 PolarHBondContact O-SG 2.87Å
532	W	98.5	Very high	97.3	Very high	2 Å²	2	37 Å²	37	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-34.1	172.6	-80.9	118.9	0	0	0	112.9	N139 W140 F187 K191 H192 M195 N521 V528 A529 D530 C535 L536	N139-W532 WeakPolarHBondContact ND2-CZ2 3.21Å; W140-W532 HydrophobicContact CH2-CD2 4.06Å; W140-W532 AromaticContact CH2-CE2 3.87Å; W140-W532 HydrophobicContact CH2-CE3 4.16Å; W140-W532 AromaticContact CH2-CH2 3.89Å; W140-W532 HydrophobicContact CH2-CH2 3.89Å; W140-W532 AromaticContact CH2-CZ2 3.82Å; W140-W532 HydrophobicContact CH2-CZ2 3.82Å; W140-W532 HydrophobicContact CH2-CZ3 4.06Å; W140-W532 AromaticContact CZ2-CD1 3.88Å; W140-W532 AromaticContact CZ2-CD2 3.59Å; W140-W532 HydrophobicContact CZ2-CD2 3.59Å; W140-W532 AromaticContact CZ2-CE2 3.41Å; W140-W532 VanDerWaalsContact CZ2-CE2 3.41Å; W140-W532 HydrophobicContact CZ2-CE3 4.12Å; W140-W532 AromaticContact CZ2-CG 3.89Å; W140-W532 HydrophobicContact CZ2-CG 3.89Å; W140-W532 HydrophobicContact CZ2-CH2 4.29Å; W140-W532 AromaticContact CZ2-CZ2 3.82Å; W140-W532 HydrophobicContact CZ2-CZ2 3.82Å; W140-W532 HydrophobicContact CZ2-CZ3 4.43Å; W140-W532 AromaticContact CZ2-NE1 3.59Å; F187-W532 AromaticContact CD2-CE3 3.73Å; F187-W532 HydrophobicContact CD2-CE3 3.73Å; F187-W532 HydrophobicContact CD2-CZ3 4.23Å; F187-W532 HydrophobicContact CE2-CB 4.46Å; F187-W532 AromaticContact CE2-CE3 3.84Å; F187-W532 HydrophobicContact CE2-CE3 3.84Å; K191-W532 HydrophobicContact CB-CH2 3.81Å; K191-W532 HydrophobicContact CB-CZ2 3.99Å; H192-W532 HydrophobicContact CB-CH2 3.73Å; H192-W532 HydrophobicContact CB-CZ2 4.41Å; H192-W532 HydrophobicContact CB-CZ3 3.98Å; H192-W532 VanDerWaalsContact N-CH2 3.28Å; M195-W532 HydrophobicContact CG-CZ2 4.14Å; N521-W532 HydrophobicContact CB-CB 4.06Å; N521-W532 HydrophobicContact CB-CG 4.2Å; V528-W532 VanDerWaalsContact O-CD1 3.23Å; V528-W532 PolarHBondContact O-N 3.31Å; A529-W532 CarbonylContact O-C 3.53Å; A529-W532 WeakPolarHBondContact O-CA 3.44Å; A529-W532 WeakPolarHBondContact O-CB 3.31Å; A529-W532 PolarHBondContact O-N 2.98Å; D530-W532 VanDerWaalsContact C-N 3.32Å; D530-W532 PolarHBondContact O-N 2.71Å; W532-C535 HydrophobicContact CE3-CB 4.05Å; W532-C535 HydrophobicContact CZ3-CB 4.41Å; W532-C535 WeakPolarHBondContact O-CB 3.48Å; W532-C535 PolarHBondContact O-N 3.19Å; W532-L536 WeakPolarHBondContact O-CB 3.29Å; W532-L536 PolarHBondContact O-N 3.31Å
533	V	98.1	Very high	97.2	Very high	10 Å²	10	36.8 Å²	36.8	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-42.4	173.3	171.9	0	0	0	0	111	E522 A529 D530 L536 F537 Q569 F605	E522-V533 VanDerWaalsContact OE1-CG2 3.25Å; E522-V533 WeakPolarHBondContact OE1-CG2 3.21Å; A529-V533 WeakPolarHBondContact O-CG2 3.34Å; A529-V533 PolarHBondContact O-N 3.46Å; D530-V533 PolarHBondContact O-N 3.2Å; V533-L536 PolarHBondContact O-N 3.1Å; V533-F537 HydrophobicContact CG1-CD2 3.7Å; V533-F537 HydrophobicContact CG1-CE2 3.79Å; V533-F537 VanDerWaalsContact O-CD2 3.29Å; V533-F537 WeakPolarHBondContact O-CD2 3.4Å; V533-F537 PolarHBondContact O-N 3.23Å; V533-Q569 HydrophobicContact CG1-CG 4.21Å; V533-Q569 HydrophobicContact CG2-CG 4.31Å; V533-F605 HydrophobicContact CG2-CZ 4.35Å
534	D	97.9	Very high	97.2	Very high	94 Å²	94	36.8 Å²	36.8	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-67.1	-36.1	174.3	-82.3	-19	0	0	0	112.9	D530 N538 K565	D530-D534 PolarHBondContact O-N 3Å; D534-N538 VanDerWaalsContact O-CB 3.31Å; D534-N538 WeakPolarHBondContact O-CB 3.43Å; D534-N538 PolarHBondContact O-N 3.13Å; D534-K565 IonicContact OD1-NZ 2.89Å; D534-K565 PolarHBondContact OD1-NZ 3.32Å
535	C	98.5	Very high	97.1	Very high	28 Å²	28	38.9 Å²	38.9	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-46.5	170.8	-71	0	0	0	0	112	P186 F187 A531 W532 N538 E539	P186-C535 WeakPolarHBondContact CB-O 3.32Å; P186-C535 VanDerWaalsContact O-CB 3.3Å; P186-C535 WeakPolarHBondContact O-CB 3.49Å; F187-C535 HydrophobicContact CB-CB 4.41Å; F187-C535 HydrophobicContact CD2-CB 4.19Å; A531-C535 PolarHBondContact O-N 2.74Å; A531-C535 PolarHBondContact O-SG 2.87Å; W532-C535 HydrophobicContact CE3-CB 4.05Å; W532-C535 HydrophobicContact CZ3-CB 4.41Å; W532-C535 WeakPolarHBondContact O-CB 3.48Å; W532-C535 PolarHBondContact O-N 3.19Å; C535-N538 PolarHBondContact O-N 3Å; C535-E539 PolarHBondContact O-N 2.97Å; C535-E539 VanDerWaalsContact O-N 3.14Å
536	L	98.3	Very high	97	Very high	31 Å²	31	37.5 Å²	37.5	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-50	179.9	-176.7	65.1	0	0	0	111.3	F187 W532 V533 N538 E539 F540	F187-L536 HydrophobicContact CD1-CD1 4.26Å; F187-L536 HydrophobicContact CD2-CB 3.64Å; F187-L536 HydrophobicContact CD2-CD1 3.97Å; F187-L536 HydrophobicContact CD2-CG 4.41Å; F187-L536 HydrophobicContact CE1-CD1 4.4Å; F187-L536 HydrophobicContact CE2-CB 3.95Å; F187-L536 HydrophobicContact CE2-CD1 4.11Å; F187-L536 HydrophobicContact CG-CB 4.37Å; F187-L536 HydrophobicContact CG-CD1 4.04Å; F187-L536 HydrophobicContact CZ-CD1 4.32Å; W532-L536 WeakPolarHBondContact O-CB 3.29Å; W532-L536 PolarHBondContact O-N 3.31Å; V533-L536 PolarHBondContact O-N 3.1Å; L536-N538 VanDerWaalsContact C-N 3.34Å; L536-N538 PolarHBondContact O-N 2.95Å; L536-E539 PolarHBondContact O-N 3.42Å; L536-F540 HydrophobicContact CD1-CD1 4.3Å; L536-F540 HydrophobicContact CD1-CE1 3.65Å; L536-F540 HydrophobicContact CD1-CE2 4.18Å; L536-F540 HydrophobicContact CD1-CZ 3.59Å; L536-F540 HydrophobicContact CD2-CE2 4.19Å; L536-F540 HydrophobicContact CD2-CZ 4.24Å; L536-F540 HydrophobicContact CG-CD2 4.35Å; L536-F540 HydrophobicContact CG-CE1 4.23Å; L536-F540 HydrophobicContact CG-CE2 3.92Å; L536-F540 HydrophobicContact CG-CZ 3.86Å; L536-F540 WeakPolarHBondContact O-CG 3.47Å; L536-F540 PolarHBondContact O-N 2.75Å
537	F	98.2	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-34.4	179.4	-82.8	-65.4	0	0	0	112.8	V533 E539 F540 F541 V563 K565	V533-F537 HydrophobicContact CG1-CD2 3.7Å; V533-F537 HydrophobicContact CG1-CE2 3.79Å; V533-F537 VanDerWaalsContact O-CD2 3.29Å; V533-F537 WeakPolarHBondContact O-CD2 3.4Å; V533-F537 PolarHBondContact O-N 3.23Å; F537-E539 VanDerWaalsContact C-N 3.33Å; F537-E539 PolarHBondContact O-N 2.67Å; F537-F540 HydrophobicContact CD1-CD2 4.23Å; F537-F540 HydrophobicContact CE1-CD2 4.25Å; F537-F540 PolarHBondContact O-N 3.38Å; F537-F541 HydrophobicContact CB-CE1 4.39Å; F537-F541 HydrophobicContact CB-CE2 4.07Å; F537-F541 HydrophobicContact CB-CZ 3.97Å; F537-F541 AromaticContact CD1-CE1 3.77Å; F537-F541 HydrophobicContact CD1-CE1 3.77Å; F537-F541 AromaticContact CD1-CZ 3.83Å; F537-F541 HydrophobicContact CD1-CZ 3.83Å; F537-F541 HydrophobicContact CG-CZ 4.21Å; F537-F541 WeakPolarHBondContact O-CB 3.26Å; F537-F541 WeakPolarHBondContact O-CD1 3.36Å; F537-F541 VanDerWaalsContact O-CD2 3.28Å; F537-F541 WeakPolarHBondContact O-CD2 3.42Å; F537-F541 WeakPolarHBondContact O-CG 3.43Å; F537-F541 PolarHBondContact O-N 3.25Å; F537-V563 HydrophobicContact CD1-CG1 4.22Å; F537-V563 HydrophobicContact CE1-CG1 3.87Å; F537-V563 HydrophobicContact CE1-CG2 3.87Å; F537-V563 HydrophobicContact CZ-CG2 4.26Å; F537-K565 HydrophobicContact CD2-CD 3.72Å; F537-K565 HydrophobicContact CD2-CG 3.77Å; F537-K565 HydrophobicContact CE1-CG 4.41Å; F537-K565 HydrophobicContact CE2-CB 3.99Å; F537-K565 HydrophobicContact CE2-CD 4.02Å; F537-K565 HydrophobicContact CE2-CG 3.62Å; F537-K565 HydrophobicContact CG-CD 4.26Å; F537-K565 HydrophobicContact CG-CG 4.23Å; F537-K565 HydrophobicContact CZ-CB 4.33Å; F537-K565 HydrophobicContact CZ-CG 3.98Å
538	N	97.8	Very high	97.1	Very high	85 Å²	85	32.2 Å²	32.2	46%	0.455	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-41	173.3	-171.1	37.4	0	0	0	111.7	P186 D534 C535 L536 L542	P186-N538 HydrophobicContact CB-CB 4.05Å; P186-N538 HydrophobicContact CG-CB 4.33Å; P186-N538 WeakPolarHBondContact CG-ND2 3.41Å; D534-N538 VanDerWaalsContact O-CB 3.31Å; D534-N538 WeakPolarHBondContact O-CB 3.43Å; D534-N538 PolarHBondContact O-N 3.13Å; C535-N538 PolarHBondContact O-N 3Å; L536-N538 VanDerWaalsContact C-N 3.34Å; L536-N538 PolarHBondContact O-N 2.95Å; N538-L542 VanDerWaalsContact O-CG 3.31Å; N538-L542 WeakPolarHBondContact O-CG 3.5Å; N538-L542 PolarHBondContact O-N 3Å; N538-L542 VanDerWaalsContact O-N 3.13Å
539	E	97.4	Very high	96.9	Very high	6 Å²	6	39 Å²	39	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-43.4	176.3	-159.6	165.1	131.9	0	0	112.2	P186 F187 H188 H255 G257 C535 L536 F537 F541 L542 Q543	P186-E539 HydrophobicContact CB-CB 4.11Å; P186-E539 WeakPolarHBondContact CD-OE2 3.44Å; P186-E539 HydrophobicContact CG-CB 4.12Å; P186-E539 HydrophobicContact CG-CG 4.49Å; F187-E539 WeakPolarHBondContact CA-OE2 3.22Å; F187-E539 HydrophobicContact CB-CB 4.37Å; F187-E539 WeakPolarHBondContact CB-OE2 3.46Å; F187-E539 PolarHBondContact N-OE2 2.86Å; H188-E539 IonicContact CE1-OE1 2.73Å; H188-E539 IonicContact CG-OE1 2.65Å; H188-E539 PolarHBondContact N-OE2 2.82Å; H188-E539 IonicContact ND1-OE1 2.72Å; H188-E539 PolarHBondContact ND1-OE1 3.37Å; H188-E539 IonicContact ND1-OE2 3.16Å; H255-E539 IonicContact CE1-OE1 3.65Å; H255-E539 PolarHBondContact CE1-OE1 3.04Å; H255-E539 VanDerWaalsContact CE1-OE1 3.23Å; H255-E539 IonicContact ND1-OE1 3.92Å; H255-E539 PolarHBondContact ND1-OE1 3.37Å; G257-E539 VanDerWaalsContact CA-OE1 3.23Å; G257-E539 WeakPolarHBondContact CA-OE1 3.34Å; G257-E539 VanDerWaalsContact O-CG 3.31Å; G257-E539 WeakPolarHBondContact O-CG 3.44Å; C535-E539 PolarHBondContact O-N 2.97Å; C535-E539 VanDerWaalsContact O-N 3.14Å; L536-E539 PolarHBondContact O-N 3.42Å; F537-E539 VanDerWaalsContact C-N 3.33Å; F537-E539 PolarHBondContact O-N 2.67Å; E539-F541 VanDerWaalsContact C-N 3.33Å; E539-F541 PolarHBondContact O-N 2.84Å; E539-L542 PolarHBondContact O-N 3.16Å; E539-Q543 PolarHBondContact O-N 3.45Å
540	F	97.4	Very high	96.6	Very high	29 Å²	29	40.2 Å²	40.2	13%	0.127	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-40.8	173.4	-73.3	-2	0	0	0	112.8	L536 F537 Q543 A544 M558	L536-F540 HydrophobicContact CD1-CD1 4.3Å; L536-F540 HydrophobicContact CD1-CE1 3.65Å; L536-F540 HydrophobicContact CD1-CE2 4.18Å; L536-F540 HydrophobicContact CD1-CZ 3.59Å; L536-F540 HydrophobicContact CD2-CE2 4.19Å; L536-F540 HydrophobicContact CD2-CZ 4.24Å; L536-F540 HydrophobicContact CG-CD2 4.35Å; L536-F540 HydrophobicContact CG-CE1 4.23Å; L536-F540 HydrophobicContact CG-CE2 3.92Å; L536-F540 HydrophobicContact CG-CZ 3.86Å; L536-F540 WeakPolarHBondContact O-CG 3.47Å; L536-F540 PolarHBondContact O-N 2.75Å; F537-F540 HydrophobicContact CD1-CD2 4.23Å; F537-F540 HydrophobicContact CE1-CD2 4.25Å; F537-F540 PolarHBondContact O-N 3.38Å; F540-Q543 PolarHBondContact O-N 3.08Å; F540-A544 WeakPolarHBondContact O-CB 3.39Å; F540-A544 PolarHBondContact O-N 3.46Å; F540-M558 HydrophobicContact CB-CB 3.95Å; F540-M558 HydrophobicContact CB-CG 3.98Å; F540-M558 HydrophobicContact CD1-CE 4.05Å; F540-M558 HydrophobicContact CD1-CG 4.21Å; F540-M558 HydrophobicContact CD1-SD 4.28Å; F540-M558 HydrophobicContact CD2-CG 3.91Å; F540-M558 HydrophobicContact CE1-CE 3.86Å; F540-M558 HydrophobicContact CE2-CG 4.41Å; F540-M558 HydrophobicContact CG-CB 4.31Å; F540-M558 HydrophobicContact CG-CG 3.79Å; F540-M558 HydrophobicContact CG-SD 4.42Å; F540-M558 HydrophobicContact CZ-CE 4.18Å
541	F	97.6	Very high	96.5	Very high	60 Å²	60	41.3 Å²	41.3	26%	0.263	24%	0.243	S	C	.	.	H	α-helix	trans	-69.8	-31.8	179	-62.3	-14.9	0	0	0	112.3	F537 E539 A545 M558 P560 V563	F537-F541 HydrophobicContact CB-CE1 4.39Å; F537-F541 HydrophobicContact CB-CE2 4.07Å; F537-F541 HydrophobicContact CB-CZ 3.97Å; F537-F541 AromaticContact CD1-CE1 3.77Å; F537-F541 HydrophobicContact CD1-CE1 3.77Å; F537-F541 AromaticContact CD1-CZ 3.83Å; F537-F541 HydrophobicContact CD1-CZ 3.83Å; F537-F541 HydrophobicContact CG-CZ 4.21Å; F537-F541 WeakPolarHBondContact O-CB 3.26Å; F537-F541 WeakPolarHBondContact O-CD1 3.36Å; F537-F541 VanDerWaalsContact O-CD2 3.28Å; F537-F541 WeakPolarHBondContact O-CD2 3.42Å; F537-F541 WeakPolarHBondContact O-CG 3.43Å; F537-F541 PolarHBondContact O-N 3.25Å; E539-F541 VanDerWaalsContact C-N 3.33Å; E539-F541 PolarHBondContact O-N 2.84Å; F541-A545 VanDerWaalsContact O-CB 3.28Å; F541-A545 WeakPolarHBondContact O-CB 3.45Å; F541-A545 PolarHBondContact O-N 3.12Å; F541-M558 VanDerWaalsContact CD1-O 3.32Å; F541-M558 WeakPolarHBondContact CD1-O 3.32Å; F541-P560 HydrophobicContact CD1-CB 3.79Å; F541-P560 HydrophobicContact CD1-CG 4.13Å; F541-P560 HydrophobicContact CD2-CB 4.21Å; F541-P560 HydrophobicContact CE1-CB 3.74Å; F541-P560 HydrophobicContact CE2-CB 4.17Å; F541-P560 HydrophobicContact CG-CB 4.03Å; F541-P560 HydrophobicContact CG-CG 4.31Å; F541-P560 HydrophobicContact CZ-CB 3.93Å; F541-V563 HydrophobicContact CE1-CG1 3.78Å; F541-V563 HydrophobicContact CZ-CG1 4.09Å
542	L	95.7	Very high	96.4	Very high	86 Å²	86	41.2 Å²	41.2	45%	0.45	24%	0.237	S	C	.	.	H	α-helix	trans	-68.1	-40.9	170.8	-69.9	169.1	0	0	0	111.7	P186 N538 E539 A546	P186-L542 HydrophobicContact CG-CD1 3.92Å; N538-L542 VanDerWaalsContact O-CG 3.31Å; N538-L542 WeakPolarHBondContact O-CG 3.5Å; N538-L542 PolarHBondContact O-N 3Å; N538-L542 VanDerWaalsContact O-N 3.13Å; E539-L542 PolarHBondContact O-N 3.16Å; L542-A546 PolarHBondContact O-N 3.47Å; L542-A546 VanDerWaalsContact O-N 3.11Å
543	Q	96	Very high	96.3	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-52.4	171.6	-179.9	175.7	-40.2	0	0	111.2	F258 T259 Y262 E539 F540 A545 A546 E547	F258-Q543 HydrophobicContact CD1-CB 3.98Å; F258-Q543 HydrophobicContact CD1-CG 4.07Å; F258-Q543 HydrophobicContact CE1-CB 4.28Å; T259-Q543 VanDerWaalsContact OG1-CD 3.31Å; T259-Q543 PolarHBondContact OG1-NE2 3Å; T259-Q543 PolarHBondContact OG1-OE1 3.48Å; Y262-Q543 HydrophobicContact CD2-CG 4.06Å; Y262-Q543 HydrophobicContact CG-CG 4.41Å; E539-Q543 PolarHBondContact O-N 3.45Å; F540-Q543 PolarHBondContact O-N 3.08Å; Q543-A545 VanDerWaalsContact C-N 3.29Å; Q543-A545 PolarHBondContact O-N 3.02Å; Q543-A546 PolarHBondContact O-N 3.39Å; Q543-A546 VanDerWaalsContact O-N 3.09Å; Q543-E547 HydrophobicContact CG-CG 4.21Å; Q543-E547 PolarHBondContact NE2-OE1 2.78Å; Q543-E547 WeakPolarHBondContact O-CG 3.34Å; Q543-E547 PolarHBondContact O-N 3.42Å
544	A	96.5	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-36.7	-179.2	0	0	0	0	0	112.6	F540 E547 K548 V554 M558	F540-A544 WeakPolarHBondContact O-CB 3.39Å; F540-A544 PolarHBondContact O-N 3.46Å; A544-E547 PolarHBondContact O-N 2.74Å; A544-K548 WeakPolarHBondContact O-CB 3.36Å; A544-K548 VanDerWaalsContact O-CG 3.29Å; A544-K548 WeakPolarHBondContact O-CG 3.05Å; A544-K548 PolarHBondContact O-N 3.46Å; A544-V554 HydrophobicContact CB-CG1 3.7Å; A544-M558 WeakPolarHBondContact CB-O 3.43Å
545	A	95.5	Very high	96	Very high	54 Å²	54	43.5 Å²	43.5	45%	0.446	26%	0.259	S	S	.	.	H	α-helix	trans	-64.6	-43.9	173.9	0	0	0	0	0	112.2	F541 Q543 K548 Q549	F541-A545 VanDerWaalsContact O-CB 3.28Å; F541-A545 WeakPolarHBondContact O-CB 3.45Å; F541-A545 PolarHBondContact O-N 3.12Å; Q543-A545 VanDerWaalsContact C-N 3.29Å; Q543-A545 PolarHBondContact O-N 3.02Å; A545-K548 PolarHBondContact O-N 3.07Å; A545-Q549 WeakPolarHBondContact O-CB 3.44Å; A545-Q549 PolarHBondContact O-N 2.82Å
546	A	94.1	Very high	95.9	Very high	12 Å²	12	46.2 Å²	46.2	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-37.2	176.3	0	0	0	0	0	112.4	F258 Y262 L542 Q543 Q549 A550	F258-A546 HydrophobicContact CE1-CB 3.69Å; F258-A546 HydrophobicContact CZ-CB 4.49Å; Y262-A546 HydrophobicContact CE2-CB 3.98Å; L542-A546 PolarHBondContact O-N 3.47Å; L542-A546 VanDerWaalsContact O-N 3.11Å; Q543-A546 PolarHBondContact O-N 3.39Å; Q543-A546 VanDerWaalsContact O-N 3.09Å; A546-Q549 PolarHBondContact O-N 2.86Å; A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 2.93Å
547	E	95.7	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-48.6	173.8	-72.4	171.9	161.2	0	0	110.9	Y262 Q543 A544 Q549 A550 G551 L552 V554	Y262-E547 HydrophobicContact CD2-CG 3.73Å; Y262-E547 HydrophobicContact CE2-CG 4.16Å; Q543-E547 HydrophobicContact CG-CG 4.21Å; Q543-E547 PolarHBondContact NE2-OE1 2.78Å; Q543-E547 WeakPolarHBondContact O-CG 3.34Å; Q543-E547 PolarHBondContact O-N 3.42Å; A544-E547 PolarHBondContact O-N 2.74Å; E547-Q549 VanDerWaalsContact C-N 3.31Å; E547-Q549 PolarHBondContact O-N 2.91Å; E547-A550 PolarHBondContact O-N 3.07Å; E547-G551 PolarHBondContact O-N 3.13Å; E547-L552 HydrophobicContact CB-CB 4.2Å; E547-L552 HydrophobicContact CG-CB 4.3Å; E547-L552 PolarHBondContact O-N 3.28Å; E547-V554 HydrophobicContact CB-CG2 3.9Å; E547-V554 WeakPolarHBondContact OE2-CA 3.4Å
548	K	95	Very high	95.5	Very high	93 Å²	93	50 Å²	50	40%	0.404	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-41.8	173	-73.6	176.3	179.4	173.6	0	112	A544 A545 V554 D559 D561	A544-K548 WeakPolarHBondContact O-CB 3.36Å; A544-K548 VanDerWaalsContact O-CG 3.29Å; A544-K548 WeakPolarHBondContact O-CG 3.05Å; A544-K548 PolarHBondContact O-N 3.46Å; A545-K548 PolarHBondContact O-N 3.07Å; K548-V554 HydrophobicContact CG-CG2 3.7Å; K548-D559 WeakPolarHBondContact CE-OD2 3.42Å; K548-D559 IonicContact NZ-OD1 2.99Å; K548-D559 PolarHBondContact NZ-OD1 2.89Å; K548-D559 IonicContact NZ-OD2 2.71Å; K548-D559 PolarHBondContact NZ-OD2 3.48Å; K548-D561 IonicContact NZ-OD2 3.29Å; K548-D561 PolarHBondContact NZ-OD2 2.84Å
549	Q	93.8	Very high	95.4	Very high	143 Å²	143	46.6 Å²	46.6	67%	0.668	28%	0.275	S	S	*	.	H	α-helix	trans	-71.2	-32.6	179.6	-162.3	-167.4	-14.6	0	0	113.3	Y95 A545 A546 E547	Y95-Q549 HydrophobicContact CD1-CB 4.43Å; Y95-Q549 HydrophobicContact CD1-CG 4.27Å; Y95-Q549 HydrophobicContact CE1-CB 4.44Å; Y95-Q549 HydrophobicContact CE1-CG 3.98Å; Y95-Q549 VanDerWaalsContact CE1-O 3.25Å; Y95-Q549 WeakPolarHBondContact CE1-O 3.2Å; A545-Q549 WeakPolarHBondContact O-CB 3.44Å; A545-Q549 PolarHBondContact O-N 2.82Å; A546-Q549 PolarHBondContact O-N 2.86Å; E547-Q549 VanDerWaalsContact C-N 3.31Å; E547-Q549 PolarHBondContact O-N 2.91Å
550	A	91.8	Very high	95.3	Very high	24 Å²	24	49.4 Å²	49.4	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-85.4	-10.6	179.3	0	0	0	0	0	113.9	Y95 A546 E547 L552	Y95-A550 HydrophobicContact CD1-CB 3.85Å; Y95-A550 HydrophobicContact CD2-CB 3.67Å; Y95-A550 HydrophobicContact CE1-CB 4.28Å; Y95-A550 HydrophobicContact CE2-CB 4.13Å; Y95-A550 HydrophobicContact CG-CB 3.51Å; A546-A550 WeakPolarHBondContact O-CB 3.38Å; A546-A550 PolarHBondContact O-N 2.93Å; E547-A550 PolarHBondContact O-N 3.07Å; A550-L552 HydrophobicContact CB-CD1 3.8Å; A550-L552 HydrophobicContact CB-CG 3.74Å
551	G	95	Very high	95.2	Very high	70 Å²	70	54.1 Å²	54.1	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	26	-173	0	0	0	0	0	113.6	E547	E547-G551 PolarHBondContact O-N 3.13Å
552	L	95.5	Very high	95.1	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.178	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-92.5	160.5	-179.5	-61.5	176.2	0	0	0	111.6	Y262 N265 E547 A550 V554	Y262-L552 HydrophobicContact CE2-CD1 4.35Å; N265-L552 HydrophobicContact CB-CD1 4.42Å; N265-L552 HydrophobicContact CB-CD2 4.39Å; N265-L552 WeakPolarHBondContact O-CD2 3.46Å; E547-L552 HydrophobicContact CB-CB 4.2Å; E547-L552 HydrophobicContact CG-CB 4.3Å; E547-L552 PolarHBondContact O-N 3.28Å; A550-L552 HydrophobicContact CB-CD1 3.8Å; A550-L552 HydrophobicContact CB-CG 3.74Å; L552-V554 PolarHBondContact O-N 3.49Å
553	P	95.7	Very high	95.1	Very high	90 Å²	90	53.6 Å²	53.6	58%	0.584	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-63.6	130.6	174.5	-18.9	32.3	0	0	0	111.4
554	V	96.6	Very high	95	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.236	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-97.6	135.5	174.7	-171.7	0	0	0	0	109.6	A544 E547 K548 L552 D559	A544-V554 HydrophobicContact CB-CG1 3.7Å; E547-V554 HydrophobicContact CB-CG2 3.9Å; E547-V554 WeakPolarHBondContact OE2-CA 3.4Å; K548-V554 HydrophobicContact CG-CG2 3.7Å; L552-V554 PolarHBondContact O-N 3.49Å; V554-D559 HydrophobicContact CG1-CB 3.85Å
555	A	94.5	Very high	94.9	Very high	26 Å²	26	60.1 Å²	60.1	22%	0.215	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-77.4	127.3	173.3	0	0	0	0	0	111.1	H557 M558 D559	A555-H557 PolarHBondContact O-N 3.17Å; A555-M558 HydrophobicContact CB-CB 4.29Å; A555-M558 HydrophobicContact CB-CG 4.06Å; A555-M558 HydrophobicContact CB-SD 4.21Å; A555-M558 WeakPolarHBondContact O-CA 3.38Å; A555-M558 PolarHBondContact O-N 3.24Å; A555-D559 PolarHBondContact O-N 3.49Å; A555-D559 VanDerWaalsContact O-N 3.12Å
556	P	95.3	Very high	94.9	Very high	84 Å²	84	57.6 Å²	57.6	55%	0.545	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.5	-176.2	-28.1	36.1	0	0	0	116.4	L562	P556-L562 HydrophobicContact CB-CD1 4.11Å
557	H	93.4	Very high	95	Very high	97 Å²	97	59.6 Å²	59.6	45%	0.449	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.6	173.4	65.9	-95.6	0	0	0	113.5	A555 V563	A555-H557 PolarHBondContact O-N 3.17Å; H557-V563 WeakPolarHBondContact O-CG2 3.41Å
558	M	95.7	Very high	95	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.069	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-13.8	172	-60.1	-174.3	177.9	0	0	112.2	T259 F540 F541 A544 A555 P560	T259-M558 HydrophobicContact CG2-CE 4.07Å; F540-M558 HydrophobicContact CB-CB 3.95Å; F540-M558 HydrophobicContact CB-CG 3.98Å; F540-M558 HydrophobicContact CD1-CE 4.05Å; F540-M558 HydrophobicContact CD1-CG 4.21Å; F540-M558 HydrophobicContact CD1-SD 4.28Å; F540-M558 HydrophobicContact CD2-CG 3.91Å; F540-M558 HydrophobicContact CE1-CE 3.86Å; F540-M558 HydrophobicContact CE2-CG 4.41Å; F540-M558 HydrophobicContact CG-CB 4.31Å; F540-M558 HydrophobicContact CG-CG 3.79Å; F540-M558 HydrophobicContact CG-SD 4.42Å; F540-M558 HydrophobicContact CZ-CE 4.18Å; F541-M558 VanDerWaalsContact CD1-O 3.32Å; F541-M558 WeakPolarHBondContact CD1-O 3.32Å; A544-M558 WeakPolarHBondContact CB-O 3.43Å; A555-M558 HydrophobicContact CB-CB 4.29Å; A555-M558 HydrophobicContact CB-CG 4.06Å; A555-M558 HydrophobicContact CB-SD 4.21Å; A555-M558 WeakPolarHBondContact O-CA 3.38Å; A555-M558 PolarHBondContact O-N 3.24Å; M558-P560 WeakPolarHBondContact O-CD 3.23Å
559	D	95.3	Very high	95.1	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.07	33%	0.332	C	S	.	.			trans	-80.2	118.7	-178.9	-163.1	-36.3	0	0	0	111.4	K548 V554 A555 D561 L562 V563	K548-D559 WeakPolarHBondContact CE-OD2 3.42Å; K548-D559 IonicContact NZ-OD1 2.99Å; K548-D559 PolarHBondContact NZ-OD1 2.89Å; K548-D559 IonicContact NZ-OD2 2.71Å; K548-D559 PolarHBondContact NZ-OD2 3.48Å; V554-D559 HydrophobicContact CG1-CB 3.85Å; A555-D559 PolarHBondContact O-N 3.49Å; A555-D559 VanDerWaalsContact O-N 3.12Å; D559-D561 PolarHBondContact O-N 2.97Å; D559-D561 WeakPolarHBondContact OD1-CB 3.44Å; D559-D561 PolarHBondContact OD1-N 3.11Å; D559-L562 HydrophobicContact CB-CB 4.14Å; D559-L562 HydrophobicContact CB-CD1 4.07Å; D559-L562 HydrophobicContact CB-CG 4.14Å; D559-L562 PolarHBondContact O-N 3.22Å; D559-L562 VanDerWaalsContact O-N 3.07Å; D559-V563 WeakPolarHBondContact O-CG1 3.42Å; D559-V563 PolarHBondContact O-N 3Å
560	P	95.3	Very high	95.3	Very high	65 Å²	65	50 Å²	50	42%	0.422	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.2	177.5	26.9	-35.6	0	0	0	113.9	F541 M558 L562	F541-P560 HydrophobicContact CD1-CB 3.79Å; F541-P560 HydrophobicContact CD1-CG 4.13Å; F541-P560 HydrophobicContact CD2-CB 4.21Å; F541-P560 HydrophobicContact CE1-CB 3.74Å; F541-P560 HydrophobicContact CE2-CB 4.17Å; F541-P560 HydrophobicContact CG-CB 4.03Å; F541-P560 HydrophobicContact CG-CG 4.31Å; F541-P560 HydrophobicContact CZ-CB 3.93Å; M558-P560 WeakPolarHBondContact O-CD 3.23Å; P560-L562 VanDerWaalsContact C-N 3.32Å
561	D	95	Very high	95.6	Very high	128 Å²	128	53 Å²	53	68%	0.684	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.9	177.4	-57.3	-44.1	0	0	0	112.4	K548 D559	K548-D561 IonicContact NZ-OD2 3.29Å; K548-D561 PolarHBondContact NZ-OD2 2.84Å; D559-D561 PolarHBondContact O-N 2.97Å; D559-D561 WeakPolarHBondContact OD1-CB 3.44Å; D559-D561 PolarHBondContact OD1-N 3.11Å
562	L	95.1	Very high	95.7	Very high	110 Å²	110	52 Å²	52	58%	0.576	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-26	-171.9	-56.1	176.7	0	0	0	114.5	P556 D559 P560	P556-L562 HydrophobicContact CB-CD1 4.11Å; D559-L562 HydrophobicContact CB-CB 4.14Å; D559-L562 HydrophobicContact CB-CD1 4.07Å; D559-L562 HydrophobicContact CB-CG 4.14Å; D559-L562 PolarHBondContact O-N 3.22Å; D559-L562 VanDerWaalsContact O-N 3.07Å; P560-L562 VanDerWaalsContact C-N 3.32Å
563	V	95.5	Very high	95.9	Very high	25 Å²	25	50.4 Å²	50.4	15%	0.152	28%	0.282	C	S	.	.			trans	-82.8	125.5	-172.5	74	0	0	0	0	113.6	F537 F541 H557 D559	F537-V563 HydrophobicContact CD1-CG1 4.22Å; F537-V563 HydrophobicContact CE1-CG1 3.87Å; F537-V563 HydrophobicContact CE1-CG2 3.87Å; F537-V563 HydrophobicContact CZ-CG2 4.26Å; F541-V563 HydrophobicContact CE1-CG1 3.78Å; F541-V563 HydrophobicContact CZ-CG1 4.09Å; H557-V563 WeakPolarHBondContact O-CG2 3.41Å; D559-V563 WeakPolarHBondContact O-CG1 3.42Å; D559-V563 PolarHBondContact O-N 3Å
564	V	94.1	Very high	96	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.418	28%	0.278	S	S	.	.			trans	-91.9	108.7	164.1	179	0	0	0	0	108.1	S566 N567 S568	V564-S566 WeakPolarHBondContact CG1-OG 3.42Å; V564-S566 PolarHBondContact O-N 2.7Å; V564-N567 HydrophobicContact CB-CB 4.03Å; V564-N567 HydrophobicContact CG1-CB 4.03Å; V564-N567 PolarHBondContact O-N 2.99Å; V564-N567 VanDerWaalsContact O-N 3.11Å; V564-S568 PolarHBondContact O-N 3.3Å
565	K	94.5	Very high	96	Very high	71 Å²	71	53.4 Å²	53.4	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-52.3	-48.4	-174.8	-72.4	-167.1	172.7	176.9	0	112.6	D534 F537 N567 S568 Q569	D534-K565 IonicContact OD1-NZ 2.89Å; D534-K565 PolarHBondContact OD1-NZ 3.32Å; F537-K565 HydrophobicContact CD2-CD 3.72Å; F537-K565 HydrophobicContact CD2-CG 3.77Å; F537-K565 HydrophobicContact CE1-CG 4.41Å; F537-K565 HydrophobicContact CE2-CB 3.99Å; F537-K565 HydrophobicContact CE2-CD 4.02Å; F537-K565 HydrophobicContact CE2-CG 3.62Å; F537-K565 HydrophobicContact CG-CD 4.26Å; F537-K565 HydrophobicContact CG-CG 4.23Å; F537-K565 HydrophobicContact CZ-CB 4.33Å; F537-K565 HydrophobicContact CZ-CG 3.98Å; K565-N567 VanDerWaalsContact C-N 3.29Å; K565-N567 PolarHBondContact O-N 2.65Å; K565-S568 WeakPolarHBondContact O-CB 3.24Å; K565-S568 PolarHBondContact O-N 3.39Å; K565-Q569 WeakPolarHBondContact O-CG 3.47Å; K565-Q569 PolarHBondContact O-N 3.49Å
566	S	95.9	Very high	96.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-42.1	-180	69.3	0	0	0	0	112.6	V564 Q569 L570 E612	V564-S566 WeakPolarHBondContact CG1-OG 3.42Å; V564-S566 PolarHBondContact O-N 2.7Å; S566-Q569 PolarHBondContact O-N 3.34Å; S566-L570 WeakPolarHBondContact O-CB 3.36Å; S566-L570 VanDerWaalsContact O-CG 3.31Å; S566-L570 WeakPolarHBondContact O-CG 3.45Å; S566-L570 PolarHBondContact O-N 3.06Å; S566-E612 VanDerWaalsContact CB-OE2 3.26Å; S566-E612 WeakPolarHBondContact CB-OE2 3.34Å; S566-E612 PolarHBondContact OG-OE2 3.24Å
567	N	95.7	Very high	96.3	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-72.2	-37.4	-179.8	-165.9	79.5	0	0	0	112	V564 K565 N571 K609	V564-N567 HydrophobicContact CB-CB 4.03Å; V564-N567 HydrophobicContact CG1-CB 4.03Å; V564-N567 PolarHBondContact O-N 2.99Å; V564-N567 VanDerWaalsContact O-N 3.11Å; K565-N567 VanDerWaalsContact C-N 3.29Å; K565-N567 PolarHBondContact O-N 2.65Å; N567-N571 WeakPolarHBondContact O-CB 3.24Å; N567-N571 PolarHBondContact O-N 3.41Å; N567-N571 PolarHBondContact O-OD1 2.89Å; N567-K609 PolarHBondContact OD1-NZ 3.04Å
568	S	96.4	Very high	96.5	Very high	22 Å²	22	46.4 Å²	46.4	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-51.1	171.1	177.2	0	0	0	0	111.2	V564 K565 L570 N571 F572	V564-S568 PolarHBondContact O-N 3.3Å; K565-S568 WeakPolarHBondContact O-CB 3.24Å; K565-S568 PolarHBondContact O-N 3.39Å; S568-L570 PolarHBondContact O-N 3.38Å; S568-N571 PolarHBondContact O-N 3.17Å; S568-F572 WeakPolarHBondContact O-CB 3.35Å; S568-F572 PolarHBondContact O-N 3.25Å
569	Q	97.8	Very high	96.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-35.3	-177.5	-57.2	-40.2	97	0	0	112.3	E522 V533 K565 S566 F572 L573 F605	E522-Q569 PolarHBondContact OE1-NE2 3.05Å; V533-Q569 HydrophobicContact CG1-CG 4.21Å; V533-Q569 HydrophobicContact CG2-CG 4.31Å; K565-Q569 WeakPolarHBondContact O-CG 3.47Å; K565-Q569 PolarHBondContact O-N 3.49Å; S566-Q569 PolarHBondContact O-N 3.34Å; Q569-F572 PolarHBondContact O-N 2.98Å; Q569-L573 VanDerWaalsContact O-CB 3.26Å; Q569-L573 WeakPolarHBondContact O-CB 3.39Å; Q569-L573 WeakPolarHBondContact O-CD1 3.3Å; Q569-L573 VanDerWaalsContact O-CG 3.3Å; Q569-L573 WeakPolarHBondContact O-CG 3.3Å; Q569-L573 PolarHBondContact O-N 3.27Å; Q569-F605 HydrophobicContact CB-CD1 4.25Å; Q569-F605 HydrophobicContact CB-CD2 3.63Å; Q569-F605 HydrophobicContact CB-CE1 4.11Å; Q569-F605 HydrophobicContact CB-CE2 3.44Å; Q569-F605 VanDerWaalsContact CB-CE2 3.44Å; Q569-F605 HydrophobicContact CB-CG 4.03Å; Q569-F605 HydrophobicContact CB-CZ 3.71Å; Q569-F605 HydrophobicContact CG-CD2 4.47Å; Q569-F605 HydrophobicContact CG-CE1 4.07Å; Q569-F605 HydrophobicContact CG-CE2 3.83Å; Q569-F605 HydrophobicContact CG-CZ 3.61Å
570	L	97.9	Very high	96.7	Very high	8 Å²	8	47 Å²	47	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-49	170.9	-79.4	167	0	0	0	112.3	S566 S568 F572 L573 H574 S602 F605 F606 K609	S566-L570 WeakPolarHBondContact O-CB 3.36Å; S566-L570 VanDerWaalsContact O-CG 3.31Å; S566-L570 WeakPolarHBondContact O-CG 3.45Å; S566-L570 PolarHBondContact O-N 3.06Å; S568-L570 PolarHBondContact O-N 3.38Å; L570-F572 PolarHBondContact O-N 3.42Å; L570-L573 PolarHBondContact O-N 2.89Å; L570-H574 WeakPolarHBondContact O-CB 3.35Å; L570-H574 PolarHBondContact O-N 3.41Å; L570-S602 WeakPolarHBondContact CD2-O 3.49Å; L570-F605 HydrophobicContact CD2-CB 4.03Å; L570-F605 HydrophobicContact CG-CB 3.85Å; L570-F606 HydrophobicContact CD2-CB 4.27Å; L570-K609 HydrophobicContact CD1-CB 4.08Å; L570-K609 HydrophobicContact CD1-CD 3.61Å; L570-K609 HydrophobicContact CD1-CG 4.49Å
571	N	97.2	Very high	96.7	Very high	86 Å²	86	44 Å²	44	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-45.3	178.5	-71.5	-3.1	0	0	0	111.1	N567 S568 L573 H574 S575	N567-N571 WeakPolarHBondContact O-CB 3.24Å; N567-N571 PolarHBondContact O-N 3.41Å; N567-N571 PolarHBondContact O-OD1 2.89Å; S568-N571 PolarHBondContact O-N 3.17Å; N571-L573 PolarHBondContact O-N 2.92Å; N571-H574 PolarHBondContact O-N 3.49Å; N571-S575 VanDerWaalsContact O-CB 3.23Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 2.97Å; N571-S575 PolarHBondContact O-OG 2.96Å
572	F	98	Very high	96.7	Very high	50 Å²	50	42.5 Å²	42.5	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-45.1	174.8	170.3	-96	0	0	0	112.3	I519 E522 S568 Q569 L570 I576 L577	I519-F572 HydrophobicContact CB-CE2 4.39Å; I519-F572 HydrophobicContact CB-CZ 3.91Å; I519-F572 HydrophobicContact CD1-CE2 4.3Å; I519-F572 HydrophobicContact CD1-CZ 4.13Å; I519-F572 HydrophobicContact CG1-CZ 4.03Å; E522-F572 HydrophobicContact CG-CD1 4.39Å; E522-F572 HydrophobicContact CG-CE1 4.17Å; S568-F572 WeakPolarHBondContact O-CB 3.35Å; S568-F572 PolarHBondContact O-N 3.25Å; Q569-F572 PolarHBondContact O-N 2.98Å; L570-F572 PolarHBondContact O-N 3.42Å; F572-I576 HydrophobicContact CD2-CB 4.19Å; F572-I576 HydrophobicContact CD2-CD1 4.06Å; F572-I576 HydrophobicContact CD2-CG2 4.48Å; F572-I576 HydrophobicContact CE2-CB 4.2Å; F572-I576 HydrophobicContact CE2-CD1 4.47Å; F572-I576 HydrophobicContact CE2-CG2 4.05Å; F572-I576 WeakPolarHBondContact O-CA 3.27Å; F572-I576 WeakPolarHBondContact O-CB 3.4Å; F572-I576 PolarHBondContact O-N 3.42Å; F572-I576 VanDerWaalsContact O-N 3.07Å; F572-L577 HydrophobicContact CD1-CB 4.49Å; F572-L577 HydrophobicContact CE1-CB 3.82Å; F572-L577 HydrophobicContact CE1-CD2 3.98Å; F572-L577 HydrophobicContact CE1-CG 4.5Å; F572-L577 HydrophobicContact CZ-CB 4.02Å; F572-L577 PolarHBondContact O-N 3.41Å
573	L	98.4	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-61.7	-48.5	177.6	-83.8	158.2	0	0	0	111.9	E522 Q569 L570 N571 L577 I578 A598 R601 F605	E522-L573 HydrophobicContact CB-CD2 4.09Å; Q569-L573 VanDerWaalsContact O-CB 3.26Å; Q569-L573 WeakPolarHBondContact O-CB 3.39Å; Q569-L573 WeakPolarHBondContact O-CD1 3.3Å; Q569-L573 VanDerWaalsContact O-CG 3.3Å; Q569-L573 WeakPolarHBondContact O-CG 3.3Å; Q569-L573 PolarHBondContact O-N 3.27Å; L570-L573 PolarHBondContact O-N 2.89Å; N571-L573 PolarHBondContact O-N 2.92Å; L573-L577 HydrophobicContact CD2-CD2 3.85Å; L573-I578 HydrophobicContact CB-CD1 4.29Å; L573-I578 HydrophobicContact CD2-CD1 4.4Å; L573-I578 HydrophobicContact CD2-CG1 4.45Å; L573-I578 WeakPolarHBondContact O-CB 3.39Å; L573-I578 VanDerWaalsContact O-CG1 3.29Å; L573-I578 WeakPolarHBondContact O-CG1 3.34Å; L573-I578 PolarHBondContact O-N 3.19Å; L573-A598 HydrophobicContact CD2-CB 4.37Å; L573-R601 HydrophobicContact CD1-CG 4.15Å; L573-F605 HydrophobicContact CD1-CD2 3.89Å; L573-F605 HydrophobicContact CD1-CE2 4.49Å
574	H	98.1	Very high	96.4	Very high	106 Å²	106	36.8 Å²	36.8	49%	0.491	20%	0.195	S	C	.	.	I	π-helix	trans	-76.1	-40.6	-174.5	-72.6	-167.3	0	0	0	113.3	L570 N571 P579 S602	L570-H574 WeakPolarHBondContact O-CB 3.35Å; L570-H574 PolarHBondContact O-N 3.41Å; N571-H574 PolarHBondContact O-N 3.49Å; H574-P579 VanDerWaalsContact O-CD 3.24Å; H574-P579 WeakPolarHBondContact O-CD 3.49Å; H574-P579 WeakPolarHBondContact O-CG 3.38Å; H574-S602 PolarHBondContact NE2-OG 3.2Å
575	S	97.5	Very high	96.2	Very high	86 Å²	86	34.1 Å²	34.1	60%	0.601	18%	0.179	S	C	*	.	I	π-helix	trans	-90.9	-20.6	-173.6	-55.2	0	0	0	0	114.1	N571	N571-S575 VanDerWaalsContact O-CB 3.23Å; N571-S575 WeakPolarHBondContact O-CB 3.37Å; N571-S575 PolarHBondContact O-N 2.97Å; N571-S575 PolarHBondContact O-OG 2.96Å
576	I	98	Very high	96	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.226	17%	0.17	C	C	.	.	I	π-helix	trans	-126.7	-64.6	-171.3	-54.2	-175.4	0	0	0	111.7	M325 H328 I519 F572 L580	M325-I576 HydrophobicContact CE-CD1 3.96Å; M325-I576 HydrophobicContact CE-CG2 3.52Å; H328-I576 VanDerWaalsContact CE1-CG2 3.49Å; H328-I576 WeakPolarHBondContact CE1-CG2 3.23Å; I519-I576 HydrophobicContact CD1-CG2 3.68Å; F572-I576 HydrophobicContact CD2-CB 4.19Å; F572-I576 HydrophobicContact CD2-CD1 4.06Å; F572-I576 HydrophobicContact CD2-CG2 4.48Å; F572-I576 HydrophobicContact CE2-CB 4.2Å; F572-I576 HydrophobicContact CE2-CD1 4.47Å; F572-I576 HydrophobicContact CE2-CG2 4.05Å; F572-I576 WeakPolarHBondContact O-CA 3.27Å; F572-I576 WeakPolarHBondContact O-CB 3.4Å; F572-I576 PolarHBondContact O-N 3.42Å; F572-I576 VanDerWaalsContact O-N 3.07Å; I576-L580 VanDerWaalsContact O-CB 3.23Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 PolarHBondContact O-N 3.29Å
577	L	98	Very high	95.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-71.4	-51.2	-168.2	177.3	59.6	0	0	0	113.2	I519 E522 I523 F572 L573 L580 V581 A598	I519-L577 HydrophobicContact CG1-CD1 4.04Å; E522-L577 HydrophobicContact CB-CD2 3.8Å; I523-L577 HydrophobicContact CD1-CD1 4.09Å; I523-L577 HydrophobicContact CG1-CD1 4.42Å; I523-L577 HydrophobicContact CG1-CD2 4.22Å; F572-L577 HydrophobicContact CD1-CB 4.49Å; F572-L577 HydrophobicContact CE1-CB 3.82Å; F572-L577 HydrophobicContact CE1-CD2 3.98Å; F572-L577 HydrophobicContact CE1-CG 4.5Å; F572-L577 HydrophobicContact CZ-CB 4.02Å; F572-L577 PolarHBondContact O-N 3.41Å; L573-L577 HydrophobicContact CD2-CD2 3.85Å; L577-L580 PolarHBondContact O-N 3.07Å; L577-V581 HydrophobicContact CD1-CG2 3.66Å; L577-V581 HydrophobicContact CG-CG2 4.38Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.43Å; L577-V581 PolarHBondContact O-N 3.46Å; L577-A598 HydrophobicContact CD2-CB 4.48Å
578	I	98.3	Very high	95.1	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-45.3	-178.4	-68.7	169.5	0	0	0	111.5	L573 L580 K582 L595 A598	L573-I578 HydrophobicContact CB-CD1 4.29Å; L573-I578 HydrophobicContact CD2-CD1 4.4Å; L573-I578 HydrophobicContact CD2-CG1 4.45Å; L573-I578 WeakPolarHBondContact O-CB 3.39Å; L573-I578 VanDerWaalsContact O-CG1 3.29Å; L573-I578 WeakPolarHBondContact O-CG1 3.34Å; L573-I578 PolarHBondContact O-N 3.19Å; I578-L580 PolarHBondContact O-N 2.92Å; I578-K582 WeakPolarHBondContact O-CB 3.47Å; I578-K582 PolarHBondContact O-N 2.96Å; I578-L595 HydrophobicContact CG2-CD1 4.03Å; I578-A598 HydrophobicContact CG1-CB 3.88Å
579	P	97.8	Very high	94.5	Very high	40 Å²	40	32.3 Å²	32.3	26%	0.26	16%	0.162	S	C	.	.	H	α-helix	trans	-56.7	-47.7	173.4	-27.3	35.9	0	0	0	113.4	H574 K582 E583	H574-P579 VanDerWaalsContact O-CD 3.24Å; H574-P579 WeakPolarHBondContact O-CD 3.49Å; H574-P579 WeakPolarHBondContact O-CG 3.38Å; P579-K582 PolarHBondContact O-N 3.41Å; P579-E583 WeakPolarHBondContact O-CG 3.28Å; P579-E583 PolarHBondContact O-N 2.86Å
580	L	96.4	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-43.9	-177.7	-172.7	72.3	0	0	0	112.3	L332 I512 K515 V516 I519 I576 L577 I578 L584	L332-L580 HydrophobicContact CD1-CD1 3.8Å; I512-L580 HydrophobicContact CD1-CD1 3.76Å; I512-L580 HydrophobicContact CG2-CD1 4.05Å; K515-L580 HydrophobicContact CB-CD2 4.09Å; V516-L580 HydrophobicContact CB-CD2 4.49Å; V516-L580 HydrophobicContact CG2-CB 4.44Å; V516-L580 HydrophobicContact CG2-CD2 3.55Å; V516-L580 HydrophobicContact CG2-CG 3.52Å; I519-L580 HydrophobicContact CD1-CD2 3.85Å; I576-L580 VanDerWaalsContact O-CB 3.23Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 PolarHBondContact O-N 3.29Å; L577-L580 PolarHBondContact O-N 3.07Å; I578-L580 PolarHBondContact O-N 2.92Å; L580-L584 PolarHBondContact O-N 2.76Å
581	V	95	Very high	93.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-41.8	176.1	177.8	0	0	0	0	110.8	V516 I523 L577 E583 L584 T585 L594 L595	V516-V581 HydrophobicContact CG1-CG2 3.97Å; V516-V581 HydrophobicContact CG2-CG2 4.36Å; I523-V581 HydrophobicContact CD1-CG2 4.05Å; L577-V581 HydrophobicContact CD1-CG2 3.66Å; L577-V581 HydrophobicContact CG-CG2 4.38Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.43Å; L577-V581 PolarHBondContact O-N 3.46Å; V581-E583 VanDerWaalsContact C-N 3.31Å; V581-E583 PolarHBondContact O-N 3.5Å; V581-L584 WeakPolarHBondContact O-CB 3.36Å; V581-L584 PolarHBondContact O-N 3.31Å; V581-L584 VanDerWaalsContact O-N 3.12Å; V581-T585 HydrophobicContact CG1-CG2 4.47Å; V581-T585 WeakPolarHBondContact O-CG2 3.28Å; V581-T585 PolarHBondContact O-N 2.94Å; V581-L594 HydrophobicContact CG1-CB 4.34Å; V581-L595 HydrophobicContact CB-CD1 4.34Å; V581-L595 HydrophobicContact CG1-CB 3.87Å; V581-L595 HydrophobicContact CG1-CD1 4.17Å
582	K	95.6	Very high	92.9	Very high	97 Å²	97	34.7 Å²	34.7	42%	0.422	17%	0.171	S	C	.	.	H	α-helix	trans	-58.9	-42.2	177.5	-178.1	179.2	177.2	-177.8	0	111.6	I578 P579 L584 T585 Y586 L595	I578-K582 WeakPolarHBondContact O-CB 3.47Å; I578-K582 PolarHBondContact O-N 2.96Å; P579-K582 PolarHBondContact O-N 3.41Å; K582-L584 PolarHBondContact O-N 2.94Å; K582-T585 PolarHBondContact O-N 3.21Å; K582-T585 VanDerWaalsContact O-N 3.08Å; K582-T585 PolarHBondContact O-OG1 3.23Å; K582-Y586 WeakPolarHBondContact CE-OH 3.37Å; K582-Y586 HydrophobicContact CG-CE2 4.09Å; K582-Y586 WeakPolarHBondContact O-CD2 3.44Å; K582-Y586 PolarHBondContact O-N 3.49Å; K582-L595 HydrophobicContact CB-CD1 4.05Å; K582-L595 HydrophobicContact CB-CD2 4.29Å; K582-L595 HydrophobicContact CG-CD2 4.43Å
583	E	93.7	Very high	92.6	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-44.1	173.9	-75.8	-66	161.1	0	0	112.4	L332 F335 Q336 R339 P579 V581 T585 Y586	L332-E583 HydrophobicContact CD1-CB 4.27Å; L332-E583 HydrophobicContact CD1-CG 3.85Å; F335-E583 HydrophobicContact CD1-CB 4.17Å; F335-E583 HydrophobicContact CE1-CB 4.2Å; Q336-E583 HydrophobicContact CG-CG 4.12Å; Q336-E583 WeakPolarHBondContact CG-OE1 3.37Å; Q336-E583 WeakPolarHBondContact CG-OE2 3.2Å; Q336-E583 PolarHBondContact NE2-OE1 3.22Å; R339-E583 WeakPolarHBondContact CD-OE2 3.21Å; R339-E583 IonicContact CZ-OE1 2.99Å; R339-E583 IonicContact CZ-OE2 3.56Å; R339-E583 IonicContact NE-OE1 3.23Å; R339-E583 IonicContact NE-OE2 3.62Å; R339-E583 PolarHBondContact NE-OE2 3.31Å; R339-E583 IonicContact NH2-OE1 2.7Å; R339-E583 PolarHBondContact NH2-OE1 3.04Å; R339-E583 IonicContact NH2-OE2 3.89Å; R339-E583 PolarHBondContact NH2-OE2 2.95Å; P579-E583 WeakPolarHBondContact O-CG 3.28Å; P579-E583 PolarHBondContact O-N 2.86Å; V581-E583 VanDerWaalsContact C-N 3.31Å; V581-E583 PolarHBondContact O-N 3.5Å; E583-T585 PolarHBondContact O-N 3.11Å; E583-Y586 PolarHBondContact O-N 2.9Å
584	L	90.2	Very high	92.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-42.7	171.1	-78.3	-173.3	0	0	0	112.3	F335 I512 L513 V516 L580 V581 K582 Y586 I587 F588 L591	F335-L584 HydrophobicContact CE1-CD2 4.23Å; F335-L584 HydrophobicContact CE2-CD2 4.25Å; F335-L584 HydrophobicContact CZ-CD2 3.68Å; I512-L584 HydrophobicContact CG2-CD2 3.73Å; I512-L584 HydrophobicContact CG2-CG 3.92Å; L513-L584 HydrophobicContact CD2-CD1 4.24Å; L513-L584 HydrophobicContact CD2-CD2 4.27Å; V516-L584 HydrophobicContact CB-CD1 3.99Å; V516-L584 HydrophobicContact CG1-CD1 4.05Å; V516-L584 HydrophobicContact CG2-CD1 3.66Å; V516-L584 HydrophobicContact CG2-CG 4.25Å; L580-L584 PolarHBondContact O-N 2.76Å; V581-L584 WeakPolarHBondContact O-CB 3.36Å; V581-L584 PolarHBondContact O-N 3.31Å; V581-L584 VanDerWaalsContact O-N 3.12Å; K582-L584 PolarHBondContact O-N 2.94Å; L584-Y586 PolarHBondContact O-N 3.03Å; L584-Y586 VanDerWaalsContact O-N 3.16Å; L584-I587 PolarHBondContact O-N 3.01Å; L584-F588 HydrophobicContact CD2-CD2 4.09Å; L584-F588 HydrophobicContact CD2-CE2 4.14Å; L584-F588 PolarHBondContact O-N 3.18Å; L584-L591 HydrophobicContact CB-CD1 4.45Å; L584-L591 HydrophobicContact CD1-CD1 4.15Å
585	T	90.2	Very high	92.1	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.08	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-19.5	-174.7	64.1	0	0	0	0	114.8	V581 K582 E583 I587 F588 R589 L591 L595	V581-T585 HydrophobicContact CG1-CG2 4.47Å; V581-T585 WeakPolarHBondContact O-CG2 3.28Å; V581-T585 PolarHBondContact O-N 2.94Å; K582-T585 PolarHBondContact O-N 3.21Å; K582-T585 VanDerWaalsContact O-N 3.08Å; K582-T585 PolarHBondContact O-OG1 3.23Å; E583-T585 PolarHBondContact O-N 3.11Å; T585-I587 VanDerWaalsContact C-N 3.28Å; T585-I587 PolarHBondContact O-N 3.47Å; T585-F588 CarbonylContact O-C 3.58Å; T585-R589 WeakPolarHBondContact O-CA 3.34Å; T585-R589 VanDerWaalsContact O-CG 3.28Å; T585-R589 WeakPolarHBondContact O-CG 3.45Å; T585-R589 PolarHBondContact O-N 2.88Å; T585-L591 HydrophobicContact CG2-CB 4.45Å; T585-L595 HydrophobicContact CG2-CB 4.04Å; T585-L595 HydrophobicContact CG2-CD2 3.99Å
586	Y	89.3	Confident	92.1	Very high	32 Å²	32	29.9 Å²	29.9	13%	0.125	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.4	172.1	-72.2	-66.7	0	0	0	113	R339 Y483 K582 E583 L584	R339-Y586 VanDerWaalsContact CD-CG 3.49Å; Y483-Y586 AromaticContact CD1-CD1 3.62Å; Y483-Y586 HydrophobicContact CD1-CD1 3.62Å; Y483-Y586 HydrophobicContact CD1-CE1 4.39Å; Y483-Y586 HydrophobicContact CD1-CG 4.18Å; Y483-Y586 HydrophobicContact CD2-CD1 4.1Å; Y483-Y586 HydrophobicContact CD2-CE1 4.06Å; Y483-Y586 HydrophobicContact CE1-CD1 4.24Å; Y483-Y586 HydrophobicContact CE1-CG 4.46Å; Y483-Y586 AromaticContact CG-CD1 3.55Å; Y483-Y586 HydrophobicContact CG-CD1 3.55Å; Y483-Y586 AromaticContact CG-CE1 3.91Å; Y483-Y586 HydrophobicContact CG-CE1 3.91Å; K582-Y586 WeakPolarHBondContact CE-OH 3.37Å; K582-Y586 HydrophobicContact CG-CE2 4.09Å; K582-Y586 WeakPolarHBondContact O-CD2 3.44Å; K582-Y586 PolarHBondContact O-N 3.49Å; E583-Y586 PolarHBondContact O-N 2.9Å; L584-Y586 PolarHBondContact O-N 3.03Å; L584-Y586 VanDerWaalsContact O-N 3.16Å
587	I	86.3	Confident	92	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-41.5	177.6	-60	-177.9	0	0	0	110.8	F335 L338 R339 V342 I491 L495 L584 T585	F335-I587 HydrophobicContact CE1-CD1 4.31Å; F335-I587 HydrophobicContact CE2-CD1 4.36Å; F335-I587 HydrophobicContact CZ-CD1 3.75Å; L338-I587 HydrophobicContact CG-CD1 4.44Å; R339-I587 HydrophobicContact CB-CD1 4.4Å; V342-I587 HydrophobicContact CG2-CD1 4.33Å; I491-I587 HydrophobicContact CG2-CB 4.45Å; I491-I587 HydrophobicContact CG2-CG2 4.08Å; I491-I587 WeakPolarHBondContact CG2-O 3.28Å; L495-I587 HydrophobicContact CD2-CG2 3.9Å; L584-I587 PolarHBondContact O-N 3.01Å; T585-I587 VanDerWaalsContact C-N 3.28Å; T585-I587 PolarHBondContact O-N 3.47Å
588	F	86.2	Confident	92	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	14%	0.138	C	C	.	.			trans	-118	73.2	-178.6	-48.1	-73.7	0	0	0	109.6	T207 Y235 L495 L509 L584 T585 E590 L591	T207-F588 HydrophobicContact CG2-CD1 3.98Å; T207-F588 HydrophobicContact CG2-CG 4.47Å; Y235-F588 AromaticContact CE1-CE1 3.78Å; Y235-F588 HydrophobicContact CE1-CE1 3.78Å; Y235-F588 HydrophobicContact CE2-CE1 4.14Å; Y235-F588 HydrophobicContact CE2-CZ 4.14Å; Y235-F588 AromaticContact CZ-CE1 3.46Å; Y235-F588 VanDerWaalsContact CZ-CE1 3.46Å; Y235-F588 AromaticContact CZ-CZ 3.93Å; Y235-F588 VanDerWaalsContact OH-CE1 3.23Å; Y235-F588 WeakPolarHBondContact OH-CE1 3.4Å; L495-F588 HydrophobicContact CD2-CE1 3.96Å; L495-F588 HydrophobicContact CD2-CZ 3.76Å; L509-F588 HydrophobicContact CD1-CE2 3.5Å; L509-F588 VanDerWaalsContact CD1-CE2 3.5Å; L509-F588 HydrophobicContact CD1-CZ 3.63Å; L509-F588 HydrophobicContact CD2-CZ 4.19Å; L584-F588 HydrophobicContact CD2-CD2 4.09Å; L584-F588 HydrophobicContact CD2-CE2 4.14Å; L584-F588 PolarHBondContact O-N 3.18Å; T585-F588 CarbonylContact O-C 3.58Å; F588-E590 PolarHBondContact O-N 3.16Å; F588-L591 HydrophobicContact CB-CD1 3.76Å; F588-L591 HydrophobicContact CB-CG 3.84Å; F588-L591 HydrophobicContact CD2-CD1 4.48Å; F588-L591 HydrophobicContact CG-CD1 4.38Å; F588-L591 WeakPolarHBondContact O-CB 3.34Å; F588-L591 PolarHBondContact O-N 3.08Å
589	R	84.5	Confident	92	Very high	72 Å²	72	32.4 Å²	32.4	27%	0.272	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-56.8	-24.5	-176.9	-65.1	179.5	-176.6	160	-0.4	113.2	Y483 I486 T585 L591 H592	Y483-R589 PolarHBondContact O-NH2 3.4Å; I486-R589 PolarHBondContact O-NH1 3.48Å; I486-R589 PolarHBondContact O-NH2 3.27Å; T585-R589 WeakPolarHBondContact O-CA 3.34Å; T585-R589 VanDerWaalsContact O-CG 3.28Å; T585-R589 WeakPolarHBondContact O-CG 3.45Å; T585-R589 PolarHBondContact O-N 2.88Å; R589-L591 PolarHBondContact O-N 3.05Å; R589-H592 WeakPolarHBondContact O-CB 3.15Å; R589-H592 PolarHBondContact O-N 3.25Å
590	E	81.7	Confident	91.9	Very high	50 Å²	50	36.1 Å²	36.1	23%	0.234	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-72.4	-13.5	-179.2	-51.8	85.4	-179.4	0	0	111.8	I206 I210 S488 F588 H592	I206-E590 HydrophobicContact CG2-CB 4.01Å; I210-E590 HydrophobicContact CB-CG 4.37Å; I210-E590 HydrophobicContact CD1-CG 4.08Å; I210-E590 HydrophobicContact CG1-CB 4.04Å; I210-E590 HydrophobicContact CG1-CG 3.85Å; I210-E590 HydrophobicContact CG2-CG 3.9Å; S488-E590 PolarHBondContact OG-OE1 2.89Å; F588-E590 PolarHBondContact O-N 3.16Å; E590-H592 VanDerWaalsContact C-N 3.29Å
591	L	88.1	Confident	92	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-81.8	2.3	167	-55.3	-176.7	0	0	0	113.7	I203 I206 L584 T585 F588 R589 V593 L594 L595	I203-L591 HydrophobicContact CB-CD2 4.42Å; I203-L591 HydrophobicContact CD1-CD1 4.35Å; I203-L591 HydrophobicContact CG1-CD1 4.47Å; I203-L591 HydrophobicContact CG1-CD2 4.08Å; I203-L591 HydrophobicContact CG2-CD1 3.9Å; I203-L591 HydrophobicContact CG2-CD2 4.11Å; I206-L591 HydrophobicContact CB-CD2 4.28Å; I206-L591 HydrophobicContact CD1-CD2 4.14Å; I206-L591 HydrophobicContact CG2-CD2 4.02Å; L584-L591 HydrophobicContact CB-CD1 4.45Å; L584-L591 HydrophobicContact CD1-CD1 4.15Å; T585-L591 HydrophobicContact CG2-CB 4.45Å; F588-L591 HydrophobicContact CB-CD1 3.76Å; F588-L591 HydrophobicContact CB-CG 3.84Å; F588-L591 HydrophobicContact CD2-CD1 4.48Å; F588-L591 HydrophobicContact CG-CD1 4.38Å; F588-L591 WeakPolarHBondContact O-CB 3.34Å; F588-L591 PolarHBondContact O-N 3.08Å; R589-L591 PolarHBondContact O-N 3.05Å; L591-V593 PolarHBondContact O-N 3.42Å; L591-V593 VanDerWaalsContact O-N 3.11Å; L591-L594 HydrophobicContact CB-CD1 4.3Å; L591-L594 HydrophobicContact CD2-CD1 4.13Å; L591-L594 VanDerWaalsContact O-CB 3.32Å; L591-L594 WeakPolarHBondContact O-CB 3.45Å; L591-L594 PolarHBondContact O-N 2.94Å; L591-L595 PolarHBondContact O-N 3.27Å
592	H	89.4	Confident	92.1	Very high	99 Å²	99	37 Å²	37	46%	0.458	17%	0.169	S	C	.	.	H	α-helix	trans	-56.9	-26.7	176.2	-171	-78	0	0	0	112.9	R589 E590 L594 L595 E596	R589-H592 WeakPolarHBondContact O-CB 3.15Å; R589-H592 PolarHBondContact O-N 3.25Å; E590-H592 VanDerWaalsContact C-N 3.29Å; H592-L594 PolarHBondContact O-N 3.35Å; H592-L595 WeakPolarHBondContact O-CB 3.46Å; H592-L595 PolarHBondContact O-N 3.41Å; H592-L595 VanDerWaalsContact O-N 3.17Å; H592-E596 IonicContact ND1-OE2 2.63Å; H592-E596 VanDerWaalsContact O-CB 3.3Å; H592-E596 WeakPolarHBondContact O-CB 3.37Å; H592-E596 PolarHBondContact O-N 2.97Å
593	V	91	Very high	92.2	Very high	48 Å²	48	37.9 Å²	37.9	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-29.2	172.4	65.9	0	0	0	0	113.2	H135 L591 S597	H135-V593 WeakPolarHBondContact CE1-CG2 3.32Å; H135-V593 PolarHBondContact NE2-O 3.3Å; L591-V593 PolarHBondContact O-N 3.42Å; L591-V593 VanDerWaalsContact O-N 3.11Å; V593-S597 PolarHBondContact O-N 3.2Å; V593-S597 PolarHBondContact O-OG 3.45Å
594	L	92.9	Very high	92.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-77.8	-42.4	175.7	-52.1	-176.5	0	0	0	110.8	H135 M199 I203 I523 V581 L591 H592 S597 A598	H135-L594 HydrophobicContact CB-CD2 4.01Å; M199-L594 HydrophobicContact SD-CD1 4.39Å; M199-L594 HydrophobicContact SD-CD2 4.37Å; I203-L594 HydrophobicContact CD1-CD1 4.01Å; I203-L594 HydrophobicContact CG1-CD1 3.99Å; I523-L594 HydrophobicContact CD1-CB 4.34Å; I523-L594 HydrophobicContact CG2-CB 3.92Å; I523-L594 HydrophobicContact CG2-CD2 3.83Å; I523-L594 HydrophobicContact CG2-CG 4.43Å; V581-L594 HydrophobicContact CG1-CB 4.34Å; L591-L594 HydrophobicContact CB-CD1 4.3Å; L591-L594 HydrophobicContact CD2-CD1 4.13Å; L591-L594 VanDerWaalsContact O-CB 3.32Å; L591-L594 WeakPolarHBondContact O-CB 3.45Å; L591-L594 PolarHBondContact O-N 2.94Å; H592-L594 PolarHBondContact O-N 3.35Å; L594-S597 PolarHBondContact O-N 3.03Å; L594-A598 PolarHBondContact O-N 3.05Å
595	L	95	Very high	92.7	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.2	-176.1	60.1	0	0	0	111.7	I578 V581 K582 T585 L591 H592 S597 A598 H599	I578-L595 HydrophobicContact CG2-CD1 4.03Å; V581-L595 HydrophobicContact CB-CD1 4.34Å; V581-L595 HydrophobicContact CG1-CB 3.87Å; V581-L595 HydrophobicContact CG1-CD1 4.17Å; K582-L595 HydrophobicContact CB-CD1 4.05Å; K582-L595 HydrophobicContact CB-CD2 4.29Å; K582-L595 HydrophobicContact CG-CD2 4.43Å; T585-L595 HydrophobicContact CG2-CB 4.04Å; T585-L595 HydrophobicContact CG2-CD2 3.99Å; L591-L595 PolarHBondContact O-N 3.27Å; H592-L595 WeakPolarHBondContact O-CB 3.46Å; H592-L595 PolarHBondContact O-N 3.41Å; H592-L595 VanDerWaalsContact O-N 3.17Å; L595-S597 PolarHBondContact O-N 3.01Å; L595-A598 PolarHBondContact O-N 3.35Å; L595-H599 PolarHBondContact O-CD2 3.22Å; L595-H599 VanDerWaalsContact O-CD2 3.22Å; L595-H599 PolarHBondContact O-N 2.77Å
596	E	95.7	Very high	93	Very high	82 Å²	82	44.7 Å²	44.7	38%	0.383	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-38.9	177	-169.7	-168	116.7	0	0	112.1	H592 H599 R600	H592-E596 IonicContact ND1-OE2 2.63Å; H592-E596 VanDerWaalsContact O-CB 3.3Å; H592-E596 WeakPolarHBondContact O-CB 3.37Å; H592-E596 PolarHBondContact O-N 2.97Å; E596-H599 PolarHBondContact O-N 3.24Å; E596-R600 PolarHBondContact O-N 3.43Å; E596-R600 IonicContact OE1-CZ 2.65Å; E596-R600 VanDerWaalsContact OE1-CZ 3.23Å; E596-R600 IonicContact OE1-NH1 3.99Å; E596-R600 PolarHBondContact OE1-NH1 3.04Å; E596-R600 IonicContact OE1-NH2 3.13Å; E596-R600 PolarHBondContact OE1-NH2 3.1Å
597	S	96.3	Very high	93.4	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.119	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-40	171.9	-78.9	0	0	0	0	113	H135 I523 V593 L594 L595 H599 R600 R601	H135-S597 WeakPolarHBondContact NE2-CB 3.28Å; H135-S597 PolarHBondContact NE2-OG 3.48Å; I523-S597 VanDerWaalsContact O-CB 3.26Å; I523-S597 WeakPolarHBondContact O-CB 3.27Å; V593-S597 PolarHBondContact O-N 3.2Å; V593-S597 PolarHBondContact O-OG 3.45Å; L594-S597 PolarHBondContact O-N 3.03Å; L595-S597 PolarHBondContact O-N 3.01Å; S597-H599 VanDerWaalsContact C-N 3.33Å; S597-H599 PolarHBondContact O-N 3.23Å; S597-R600 PolarHBondContact O-N 3.04Å; S597-R600 PolarHBondContact OG-NH2 3.47Å; S597-R600 VanDerWaalsContact OG-NH2 3.15Å; S597-R601 WeakPolarHBondContact O-CB 3.31Å; S597-R601 PolarHBondContact O-N 3.06Å
598	A	97.6	Very high	93.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-39.7	173.7	0	0	0	0	0	112	I523 L573 L577 I578 L594 L595 R601 S602	I523-A598 HydrophobicContact CG1-CB 4.37Å; L573-A598 HydrophobicContact CD2-CB 4.37Å; L577-A598 HydrophobicContact CD2-CB 4.48Å; I578-A598 HydrophobicContact CG1-CB 3.88Å; L594-A598 PolarHBondContact O-N 3.05Å; L595-A598 PolarHBondContact O-N 3.35Å; A598-R601 PolarHBondContact O-N 3.42Å; A598-S602 PolarHBondContact O-N 2.88Å
599	H	98.2	Very high	94.2	Very high	96 Å²	96	52 Å²	52	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-45.7	173.1	-79.8	-64.9	0	0	0	112.7	L595 E596 S597 R601 S602 E603	L595-H599 PolarHBondContact O-CD2 3.22Å; L595-H599 VanDerWaalsContact O-CD2 3.22Å; L595-H599 PolarHBondContact O-N 2.77Å; E596-H599 PolarHBondContact O-N 3.24Å; S597-H599 VanDerWaalsContact C-N 3.33Å; S597-H599 PolarHBondContact O-N 3.23Å; H599-R601 VanDerWaalsContact C-N 3.27Å; H599-R601 PolarHBondContact O-N 2.9Å; H599-S602 WeakPolarHBondContact O-CB 3.46Å; H599-S602 PolarHBondContact O-N 2.74Å; H599-S602 VanDerWaalsContact O-N 3.16Å; H599-E603 PolarHBondContact O-N 2.82Å
600	R	97.6	Very high	94.7	Very high	118 Å²	118	53.1 Å²	53.1	45%	0.445	25%	0.247	S	C	.	.	H	α-helix	trans	-56.6	-40.5	172.5	-81.2	-174.4	-75.3	-104	-9.4	112.5	E596 S597 E603 H604	E596-R600 PolarHBondContact O-N 3.43Å; E596-R600 IonicContact OE1-CZ 2.65Å; E596-R600 VanDerWaalsContact OE1-CZ 3.23Å; E596-R600 IonicContact OE1-NH1 3.99Å; E596-R600 PolarHBondContact OE1-NH1 3.04Å; E596-R600 IonicContact OE1-NH2 3.13Å; E596-R600 PolarHBondContact OE1-NH2 3.1Å; S597-R600 PolarHBondContact O-N 3.04Å; S597-R600 PolarHBondContact OG-NH2 3.47Å; S597-R600 VanDerWaalsContact OG-NH2 3.15Å; R600-E603 PolarHBondContact O-N 3.43Å; R600-H604 PolarHBondContact O-N 2.7Å
601	R	97.4	Very high	95.3	Very high	7 Å²	7	57 Å²	57	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-35	178.4	-172.3	58.8	166.2	167	3	112.4	E522 D530 L573 S597 A598 H599 H604 F605	E522-R601 HydrophobicContact CB-CG 4.05Å; E522-R601 VanDerWaalsContact O-CB 3.3Å; E522-R601 WeakPolarHBondContact O-CB 3.33Å; E522-R601 WeakPolarHBondContact O-CG 3.38Å; E522-R601 IonicContact OE2-CZ 2.67Å; E522-R601 VanDerWaalsContact OE2-CZ 3.29Å; E522-R601 IonicContact OE2-NE 3.42Å; E522-R601 PolarHBondContact OE2-NE 3.16Å; E522-R601 IonicContact OE2-NH2 3.37Å; E522-R601 PolarHBondContact OE2-NH2 3.15Å; D530-R601 IonicContact OD1-CZ 2.69Å; D530-R601 IonicContact OD1-NH1 2.75Å; D530-R601 PolarHBondContact OD1-NH1 3.05Å; D530-R601 IonicContact OD1-NH2 3.23Å; D530-R601 PolarHBondContact OD1-NH2 3.26Å; D530-R601 IonicContact OD2-NH1 2.63Å; D530-R601 PolarHBondContact OD2-NH1 3.04Å; L573-R601 HydrophobicContact CD1-CG 4.15Å; S597-R601 WeakPolarHBondContact O-CB 3.31Å; S597-R601 PolarHBondContact O-N 3.06Å; A598-R601 PolarHBondContact O-N 3.42Å; H599-R601 VanDerWaalsContact C-N 3.27Å; H599-R601 PolarHBondContact O-N 2.9Å; R601-H604 PolarHBondContact NH1-CE1 2.91Å; R601-H604 VanDerWaalsContact NH1-CE1 3.3Å; R601-H604 PolarHBondContact NH1-ND1 2.87Å; R601-H604 PolarHBondContact O-N 3.12Å; R601-F605 HydrophobicContact CG-CD2 4.25Å; R601-F605 HydrophobicContact CG-CE2 4.2Å; R601-F605 VanDerWaalsContact CZ-CE2 3.44Å; R601-F605 VanDerWaalsContact NE-CE2 3.33Å; R601-F605 VanDerWaalsContact NH2-CZ 3.3Å; R601-F605 PolarHBondContact O-N 3.29Å; R601-F605 VanDerWaalsContact O-N 3.1Å
602	S	98.1	Very high	95.5	Very high	12 Å²	12	59.6 Å²	59.6	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-39.6	169.2	175.1	0	0	0	0	112.6	L570 H574 A598 H599 F605 F606	L570-S602 WeakPolarHBondContact CD2-O 3.49Å; H574-S602 PolarHBondContact NE2-OG 3.2Å; A598-S602 PolarHBondContact O-N 2.88Å; H599-S602 WeakPolarHBondContact O-CB 3.46Å; H599-S602 PolarHBondContact O-N 2.74Å; H599-S602 VanDerWaalsContact O-N 3.16Å; S602-F605 PolarHBondContact O-N 2.69Å; S602-F606 WeakPolarHBondContact O-CB 3.35Å; S602-F606 PolarHBondContact O-N 3.33Å
603	E	97.5	Very high	95.6	Very high	116 Å²	116	58.6 Å²	58.6	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-43.4	177.3	-166.1	-173.1	166.3	0	0	110.8	H599 R600 F605 F606 Q607	H599-E603 PolarHBondContact O-N 2.82Å; R600-E603 PolarHBondContact O-N 3.43Å; E603-F605 PolarHBondContact O-N 2.81Å; E603-F606 WeakPolarHBondContact O-CB 3.28Å; E603-F606 PolarHBondContact O-N 3.31Å; E603-Q607 WeakPolarHBondContact O-CG 3.41Å; E603-Q607 PolarHBondContact O-N 3.38Å; E603-Q607 PolarHBondContact OE1-NE2 3.49Å
604	H	96.1	Very high	95.7	Very high	53 Å²	53	58.9 Å²	58.9	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-49.7	174.2	177.1	-99.8	0	0	0	112.7	R600 R601 F606 Q607 I608	R600-H604 PolarHBondContact O-N 2.7Å; R601-H604 PolarHBondContact NH1-CE1 2.91Å; R601-H604 VanDerWaalsContact NH1-CE1 3.3Å; R601-H604 PolarHBondContact NH1-ND1 2.87Å; R601-H604 PolarHBondContact O-N 3.12Å; H604-F606 VanDerWaalsContact C-N 3.32Å; H604-F606 PolarHBondContact O-N 2.73Å; H604-Q607 PolarHBondContact O-N 3.49Å; H604-I608 WeakPolarHBondContact CE1-CD1 3.43Å; H604-I608 WeakPolarHBondContact O-CG1 3.34Å; H604-I608 PolarHBondContact O-N 3.24Å
605	F	97.5	Very high	95.5	Very high	9 Å²	9	62.3 Å²	62.3	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-27.9	177.1	-80.2	-60.6	0	0	0	113.8	E522 V533 Q569 L570 L573 R601 S602 E603 I608 K609	E522-F605 WeakPolarHBondContact OE1-CE2 3.24Å; V533-F605 HydrophobicContact CG2-CZ 4.35Å; Q569-F605 HydrophobicContact CB-CD1 4.25Å; Q569-F605 HydrophobicContact CB-CD2 3.63Å; Q569-F605 HydrophobicContact CB-CE1 4.11Å; Q569-F605 HydrophobicContact CB-CE2 3.44Å; Q569-F605 VanDerWaalsContact CB-CE2 3.44Å; Q569-F605 HydrophobicContact CB-CG 4.03Å; Q569-F605 HydrophobicContact CB-CZ 3.71Å; Q569-F605 HydrophobicContact CG-CD2 4.47Å; Q569-F605 HydrophobicContact CG-CE1 4.07Å; Q569-F605 HydrophobicContact CG-CE2 3.83Å; Q569-F605 HydrophobicContact CG-CZ 3.61Å; L570-F605 HydrophobicContact CD2-CB 4.03Å; L570-F605 HydrophobicContact CG-CB 3.85Å; L573-F605 HydrophobicContact CD1-CD2 3.89Å; L573-F605 HydrophobicContact CD1-CE2 4.49Å; R601-F605 HydrophobicContact CG-CD2 4.25Å; R601-F605 HydrophobicContact CG-CE2 4.2Å; R601-F605 VanDerWaalsContact CZ-CE2 3.44Å; R601-F605 VanDerWaalsContact NE-CE2 3.33Å; R601-F605 VanDerWaalsContact NH2-CZ 3.3Å; R601-F605 PolarHBondContact O-N 3.29Å; R601-F605 VanDerWaalsContact O-N 3.1Å; S602-F605 PolarHBondContact O-N 2.69Å; E603-F605 PolarHBondContact O-N 2.81Å; F605-I608 HydrophobicContact CD1-CD1 4.05Å; F605-I608 HydrophobicContact CE1-CD1 4.32Å; F605-I608 PolarHBondContact O-N 2.9Å; F605-K609 WeakPolarHBondContact O-CB 3.31Å; F605-K609 PolarHBondContact O-N 3.4Å
606	F	97.3	Very high	95.1	Very high	110 Å²	110	66.9 Å²	66.9	48%	0.482	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-46.2	170.6	-177.5	-96.8	0	0	0	110.7	L570 S602 E603 H604 I608 K609 Q610	L570-F606 HydrophobicContact CD2-CB 4.27Å; S602-F606 WeakPolarHBondContact O-CB 3.35Å; S602-F606 PolarHBondContact O-N 3.33Å; E603-F606 WeakPolarHBondContact O-CB 3.28Å; E603-F606 PolarHBondContact O-N 3.31Å; H604-F606 VanDerWaalsContact C-N 3.32Å; H604-F606 PolarHBondContact O-N 2.73Å; F606-I608 VanDerWaalsContact C-N 3.35Å; F606-I608 PolarHBondContact O-N 3.07Å; F606-K609 PolarHBondContact O-N 3.07Å; F606-Q610 HydrophobicContact CD1-CG 4.11Å; F606-Q610 HydrophobicContact CE1-CG 3.75Å; F606-Q610 HydrophobicContact CE2-CG 4.45Å; F606-Q610 HydrophobicContact CZ-CG 3.94Å; F606-Q610 VanDerWaalsContact O-CG 3.31Å; F606-Q610 WeakPolarHBondContact O-CG 3.35Å; F606-Q610 PolarHBondContact O-N 2.92Å
607	Q	96.4	Very high	94.7	Very high	96 Å²	96	67.2 Å²	67.2	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.6	-67.2	171.8	14.1	0	0	112	E603 H604 Q610 Y611	E603-Q607 WeakPolarHBondContact O-CG 3.41Å; E603-Q607 PolarHBondContact O-N 3.38Å; E603-Q607 PolarHBondContact OE1-NE2 3.49Å; H604-Q607 PolarHBondContact O-N 3.49Å; Q607-Q610 PolarHBondContact O-N 3.1Å; Q607-Y611 PolarHBondContact O-N 2.73Å; Q607-Y611 VanDerWaalsContact O-N 3.07Å
608	I	95.5	Very high	94.2	Very high	34 Å²	34	70.4 Å²	70.4	17%	0.174	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-49.9	173.5	-69.5	171.8	0	0	0	111.2	H604 F605 F606 Q610 Y611 E612	H604-I608 WeakPolarHBondContact CE1-CD1 3.43Å; H604-I608 WeakPolarHBondContact O-CG1 3.34Å; H604-I608 PolarHBondContact O-N 3.24Å; F605-I608 HydrophobicContact CD1-CD1 4.05Å; F605-I608 HydrophobicContact CE1-CD1 4.32Å; F605-I608 PolarHBondContact O-N 2.9Å; F606-I608 VanDerWaalsContact C-N 3.35Å; F606-I608 PolarHBondContact O-N 3.07Å; I608-Q610 VanDerWaalsContact C-N 3.3Å; I608-Q610 PolarHBondContact O-N 3.44Å; I608-Y611 WeakPolarHBondContact O-CB 3.22Å; I608-Y611 PolarHBondContact O-N 3.38Å; I608-E612 HydrophobicContact CG2-CG 4.24Å; I608-E612 WeakPolarHBondContact CG2-OE1 3.5Å; I608-E612 WeakPolarHBondContact O-CG 3.37Å; I608-E612 PolarHBondContact O-N 2.71Å
609	K	94.8	Very high	93.4	Very high	60 Å²	60	74.2 Å²	74.2	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-39.9	179.2	-179.4	174	170.7	179.3	0	112.3	N567 L570 F605 F606 Y611 E612 L613	N567-K609 PolarHBondContact OD1-NZ 3.04Å; L570-K609 HydrophobicContact CD1-CB 4.08Å; L570-K609 HydrophobicContact CD1-CD 3.61Å; L570-K609 HydrophobicContact CD1-CG 4.49Å; F605-K609 WeakPolarHBondContact O-CB 3.31Å; F605-K609 PolarHBondContact O-N 3.4Å; F606-K609 PolarHBondContact O-N 3.07Å; K609-Y611 VanDerWaalsContact C-N 3.33Å; K609-Y611 PolarHBondContact O-N 3.17Å; K609-E612 PolarHBondContact O-N 3.21Å; K609-L613 HydrophobicContact CG-CD1 4.15Å; K609-L613 WeakPolarHBondContact O-CB 3.48Å; K609-L613 VanDerWaalsContact O-CG 3.28Å; K609-L613 WeakPolarHBondContact O-CG 3.49Å; K609-L613 PolarHBondContact O-N 2.93Å
610	Q	94.6	Very high	92.4	Very high	95 Å²	95	73 Å²	73	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-65.9	-35	175.7	-66.3	-60.9	100.9	0	0	112.3	F606 Q607 I608 A614	F606-Q610 HydrophobicContact CD1-CG 4.11Å; F606-Q610 HydrophobicContact CE1-CG 3.75Å; F606-Q610 HydrophobicContact CE2-CG 4.45Å; F606-Q610 HydrophobicContact CZ-CG 3.94Å; F606-Q610 VanDerWaalsContact O-CG 3.31Å; F606-Q610 WeakPolarHBondContact O-CG 3.35Å; F606-Q610 PolarHBondContact O-N 2.92Å; Q607-Q610 PolarHBondContact O-N 3.1Å; I608-Q610 VanDerWaalsContact C-N 3.3Å; I608-Q610 PolarHBondContact O-N 3.44Å; Q610-A614 WeakPolarHBondContact O-CB 3.45Å; Q610-A614 PolarHBondContact O-N 3.16Å; Q610-A614 VanDerWaalsContact O-N 3.07Å
611	Y	94.4	Very high	91.2	Very high	131 Å²	131	72.2 Å²	72.2	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-70.1	-44.2	174.3	178.6	-100.7	0	0	0	112.4	Q607 I608 K609 L613 A614 Q615	Q607-Y611 PolarHBondContact O-N 2.73Å; Q607-Y611 VanDerWaalsContact O-N 3.07Å; I608-Y611 WeakPolarHBondContact O-CB 3.22Å; I608-Y611 PolarHBondContact O-N 3.38Å; K609-Y611 VanDerWaalsContact C-N 3.33Å; K609-Y611 PolarHBondContact O-N 3.17Å; Y611-L613 VanDerWaalsContact C-N 3.34Å; Y611-L613 PolarHBondContact O-N 3.39Å; Y611-A614 PolarHBondContact O-N 3.16Å; Y611-Q615 PolarHBondContact O-N 3.18Å
612	E	92.4	Very high	89.5	Confident	58 Å²	58	75.9 Å²	75.9	27%	0.271	39%	0.394	S	S	.	.	H	α-helix	trans	-57.5	-45.7	175	-70.1	168.7	164.7	0	0	111.6	S566 I608 K609 Q615 Q616	S566-E612 VanDerWaalsContact CB-OE2 3.26Å; S566-E612 WeakPolarHBondContact CB-OE2 3.34Å; S566-E612 PolarHBondContact OG-OE2 3.24Å; I608-E612 HydrophobicContact CG2-CG 4.24Å; I608-E612 WeakPolarHBondContact CG2-OE1 3.5Å; I608-E612 WeakPolarHBondContact O-CG 3.37Å; I608-E612 PolarHBondContact O-N 2.71Å; K609-E612 PolarHBondContact O-N 3.21Å; E612-Q615 PolarHBondContact O-N 2.85Å; E612-Q616 WeakPolarHBondContact O-CG 3.45Å; E612-Q616 PolarHBondContact O-N 3.46Å; E612-Q616 VanDerWaalsContact O-N 3.14Å
613	L	91.7	Very high	87.4	Confident	78 Å²	78	80.2 Å²	80.2	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-64.5	-38.9	175.9	-71.1	169.4	0	0	0	112.5	K609 Y611 Q616 V617	K609-L613 HydrophobicContact CG-CD1 4.15Å; K609-L613 WeakPolarHBondContact O-CB 3.48Å; K609-L613 VanDerWaalsContact O-CG 3.28Å; K609-L613 WeakPolarHBondContact O-CG 3.49Å; K609-L613 PolarHBondContact O-N 2.93Å; Y611-L613 VanDerWaalsContact C-N 3.34Å; Y611-L613 PolarHBondContact O-N 3.39Å; L613-Q616 PolarHBondContact O-N 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.41Å; L613-V617 PolarHBondContact O-N 3.35Å
614	A	92.8	Very high	85.4	Confident	53 Å²	53	79.3 Å²	79.3	44%	0.438	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.4	0	0	0	0	0	111.9	Q610 Y611 V617 V618	Q610-A614 WeakPolarHBondContact O-CB 3.45Å; Q610-A614 PolarHBondContact O-N 3.16Å; Q610-A614 VanDerWaalsContact O-N 3.07Å; Y611-A614 PolarHBondContact O-N 3.16Å; A614-V617 PolarHBondContact O-N 2.91Å; A614-V618 WeakPolarHBondContact O-CG2 3.34Å; A614-V618 PolarHBondContact O-N 3.29Å; A614-V618 VanDerWaalsContact O-N 3.15Å
615	Q	89.4	Confident	83.3	Confident	73 Å²	73	82 Å²	82	34%	0.341	45%	0.45	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.8	-169.7	61.3	49.4	0	0	111.8	Y611 E612 V617 V618 D619	Y611-Q615 PolarHBondContact O-N 3.18Å; E612-Q615 PolarHBondContact O-N 2.85Å; Q615-V617 PolarHBondContact O-N 3.37Å; Q615-V618 WeakPolarHBondContact O-CB 3.4Å; Q615-V618 PolarHBondContact O-N 3.25Å; Q615-D619 PolarHBondContact NE2-OD1 2.86Å; Q615-D619 VanDerWaalsContact O-CG 3.28Å; Q615-D619 PolarHBondContact O-N 2.77Å
616	Q	86.4	Confident	80.6	Confident	106 Å²	106	86.9 Å²	86.9	50%	0.495	48%	0.481	S	S	.	.	H	α-helix	trans	-57.2	-36.6	176.4	-70.9	170.9	10.5	0	0	112.8	E612 L613 S620	E612-Q616 WeakPolarHBondContact O-CG 3.45Å; E612-Q616 PolarHBondContact O-N 3.46Å; E612-Q616 VanDerWaalsContact O-N 3.14Å; L613-Q616 PolarHBondContact O-N 3.31Å; Q616-S620 WeakPolarHBondContact O-CB 3.47Å; Q616-S620 PolarHBondContact O-N 3.16Å; Q616-S620 VanDerWaalsContact O-N 3.08Å; Q616-S620 PolarHBondContact O-OG 3.4Å
617	V	87.4	Confident	78	Confident	89 Å²	89	87.9 Å²	87.9	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-70	-39.9	175.1	173.6	0	0	0	0	111.7	L613 A614 Q615 N621	L613-V617 WeakPolarHBondContact O-CG2 3.41Å; L613-V617 PolarHBondContact O-N 3.35Å; A614-V617 PolarHBondContact O-N 2.91Å; Q615-V617 PolarHBondContact O-N 3.37Å; V617-N621 WeakPolarHBondContact O-CB 3.45Å; V617-N621 VanDerWaalsContact O-CG 3.29Å; V617-N621 PolarHBondContact O-N 2.75Å; V617-N621 VanDerWaalsContact O-N 3.12Å; V617-N621 PolarHBondContact O-ND2 3.01Å
618	V	84.7	Confident	75.3	Confident	85 Å²	85	89.2 Å²	89.2	52%	0.515	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-47.5	175.7	171.8	0	0	0	0	111	A614 Q615 S620 N621 C622	A614-V618 WeakPolarHBondContact O-CG2 3.34Å; A614-V618 PolarHBondContact O-N 3.29Å; A614-V618 VanDerWaalsContact O-N 3.15Å; Q615-V618 WeakPolarHBondContact O-CB 3.4Å; Q615-V618 PolarHBondContact O-N 3.25Å; V618-S620 PolarHBondContact O-N 2.73Å; V618-N621 PolarHBondContact O-N 3.04Å; V618-C622 WeakPolarHBondContact O-CB 3.35Å; V618-C622 PolarHBondContact O-N 3.23Å
619	D	80.7	Confident	72.5	Confident	79 Å²	79	94.5 Å²	94.5	42%	0.422	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-42	-178.4	-61.5	-19.1	0	0	0	111.3	Q615 N621 C622 C623	Q615-D619 PolarHBondContact NE2-OD1 2.86Å; Q615-D619 VanDerWaalsContact O-CG 3.28Å; Q615-D619 PolarHBondContact O-N 2.77Å; D619-N621 PolarHBondContact O-N 3.12Å; D619-C622 WeakPolarHBondContact O-CB 3.33Å; D619-C622 PolarHBondContact O-N 3.16Å; D619-C623 PolarHBondContact O-N 3.22Å
620	S	78.4	Confident	69.8	Low	72 Å²	72	96.9 Å²	96.9	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-60.6	-41.4	175.4	-60.6	0	0	0	0	112.7	Q616 V618 S624	Q616-S620 WeakPolarHBondContact O-CB 3.47Å; Q616-S620 PolarHBondContact O-N 3.16Å; Q616-S620 VanDerWaalsContact O-N 3.08Å; Q616-S620 PolarHBondContact O-OG 3.4Å; V618-S620 PolarHBondContact O-N 2.73Å; S620-S624 PolarHBondContact O-N 2.91Å; S620-S624 PolarHBondContact O-OG 2.88Å
621	N	71.4	Confident	67.2	Low	100 Å²	100	99.2 Å²	99.2	54%	0.535	59%	0.59	S	S	.	*	H	α-helix	trans	-69.5	-37.6	175.9	-73.1	-36.5	0	0	0	111.8	V617 V618 D619 S624 T625	V617-N621 WeakPolarHBondContact O-CB 3.45Å; V617-N621 VanDerWaalsContact O-CG 3.29Å; V617-N621 PolarHBondContact O-N 2.75Å; V617-N621 VanDerWaalsContact O-N 3.12Å; V617-N621 PolarHBondContact O-ND2 3.01Å; V618-N621 PolarHBondContact O-N 3.04Å; D619-N621 PolarHBondContact O-N 3.12Å; N621-S624 WeakPolarHBondContact O-CB 3.4Å; N621-S624 PolarHBondContact O-N 3.12Å; N621-T625 PolarHBondContact O-OG1 3.29Å
622	C	61.7	Low	64.4	Low	84 Å²	84	98 Å²	98	57%	0.568	60%	0.6	S	S	*	*	H	α-helix	trans	-61.8	-51	176.3	-165.8	0	0	0	0	111.5	V618 D619 S624 T625 T626	V618-C622 WeakPolarHBondContact O-CB 3.35Å; V618-C622 PolarHBondContact O-N 3.23Å; D619-C622 WeakPolarHBondContact O-CB 3.33Å; D619-C622 PolarHBondContact O-N 3.16Å; C622-S624 PolarHBondContact O-N 2.96Å; C622-T625 PolarHBondContact O-N 3.47Å; C622-T625 VanDerWaalsContact O-N 3.07Å; C622-T626 PolarHBondContact O-OG1 2.85Å
623	C	55.1	Low	61.7	Low	103 Å²	103	100.7 Å²	100.7	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-59.7	-28.6	175.8	-70.8	0	0	0	0	113.5	D619 T625	D619-C623 PolarHBondContact O-N 3.22Å; C623-T625 VanDerWaalsContact C-N 3.25Å; C623-T625 PolarHBondContact O-N 3.1Å
624	S	55.2	Low	59.2	Low	98 Å²	98	102.7 Å²	102.7	69%	0.685	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-10.6	177.9	-60	0	0	0	0	114.3	S620 N621 C622	S620-S624 PolarHBondContact O-N 2.91Å; S620-S624 PolarHBondContact O-OG 2.88Å; N621-S624 WeakPolarHBondContact O-CB 3.4Å; N621-S624 PolarHBondContact O-N 3.12Å; C622-S624 PolarHBondContact O-N 2.96Å
625	T	51.9	Low	56.5	Low	109 Å²	109	108.2 Å²	108.2	67%	0.669	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	0.2	-169.7	-52.5	0	0	0	0	113.6	N621 C622 C623	N621-T625 PolarHBondContact O-OG1 3.29Å; C622-T625 PolarHBondContact O-N 3.47Å; C622-T625 VanDerWaalsContact O-N 3.07Å; C623-T625 VanDerWaalsContact C-N 3.25Å; C623-T625 PolarHBondContact O-N 3.1Å
626	T	41	Very low	54.1	Low	111 Å²	111	110.2 Å²	110.2	68%	0.681	68%	0.681	S	S	*	*	S	Bend	trans	-106.6	20.1	-162.7	-24	0	0	0	0	116.2	C622	C622-T626 PolarHBondContact O-OG1 2.85Å
627	V	42.8	Very low	51.7	Low	131 Å²	131	113.2 Å²	113.2	79%	0.794	70%	0.699	S	S	*	*			trans	-136.4	61.1	178.3	-162.4	0	0	0	0	113.7
628	T	38.4	Very low	49	Very low	124 Å²	124	114.7 Å²	114.7	76%	0.761	71%	0.708	S	S	*	*			trans	-143.3	55.3	167.9	41.8	0	0	0	0	113	S630	T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact O-N 3.11Å
629	T	36.9	Very low	46.5	Very low	145 Å²	145	116.2 Å²	116.2	89%	0.89	72%	0.718	S	S	*	*			trans	-70.3	84.3	166.1	50.5	0	0	0	0	110.6	T631	T629-T631 PolarHBondContact O-N 3.13Å
630	S	38.5	Very low	44.2	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-76.8	117.9	177.7	47.1	0	0	0	0	111.7	T628	T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact O-N 3.11Å
631	T	39.6	Very low	42.1	Very low	144 Å²	144	122.9 Å²	122.9	88%	0.883	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.6	143.3	168.2	47.8	0	0	0	0	110.7	T629	T629-T631 PolarHBondContact O-N 3.13Å
632	S	36.3	Very low	40	Very low	105 Å²	105	123.3 Å²	123.3	73%	0.734	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-97.5	162.5	-162.8	56.3	0	0	0	0	115.7
633	S	36.3	Very low	38.7	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	78%	0.78	S	S	*	*			trans	71.1	142.1	173.2	77.7	0	0	0	0	115.7
634	T	37.7	Very low	37.4	Very low	120 Å²	120	126.5 Å²	126.5	74%	0.736	78%	0.782	S	S	*	*			cis	-143.3	137.8	28.3	46.1	0	0	0	0	116.1
635	L	36.8	Very low	36.3	Very low	170 Å²	170	128.5 Å²	128.5	89%	0.89	79%	0.789	S	S	*	*			trans	55.9	149.6	146	-64.4	173.3	0	0	0	122.5
636	P	38	Very low	35.1	Very low	114 Å²	114	127.7 Å²	127.7	74%	0.74	79%	0.787	S	S	*	*			trans	-113.8	156.3	-169.9	41.3	-31.5	0	0	0	115.9
637	I	36.9	Very low	34.6	Very low	170 Å²	170	131 Å²	131	87%	0.872	80%	0.795	S	S	*	*			trans	-135.6	144.3	156.2	-64.9	-175	0	0	0	109.6
638	T	31.4	Very low	34	Very low	119 Å²	119	130.9 Å²	130.9	73%	0.73	79%	0.793	S	S	*	*			trans	-74.6	151.2	-176.7	46.1	0	0	0	0	114.8
639	T	32	Very low	33.5	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	80%	0.796	S	S	*	*				-176.6	113.4	103.7	-67.8	0	0	0	0	113.5
640	I	31.9	Very low	33.1	Very low	144 Å²	144	135.3 Å²	135.3	74%	0.738	80%	0.797	S	S	*	*			trans	18.5	113	138.7	-40.3	171.2	0	0	0	118.5
641	T	33.2	Very low	32.7	Very low	147 Å²	147	134.6 Å²	134.6	90%	0.902	79%	0.792	S	S	*	*				-168.1	151.3	110.4	15.7	0	0	0	0	112
642	S	28.2	Very low	32.3	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	79%	0.788	S	S	*	*			trans	-136.2	133.3	-171.7	56.9	0	0	0	0	112.1
643	T	34	Very low	32	Very low	149 Å²	149	134.2 Å²	134.2	91%	0.914	79%	0.789	S	S	*	*			trans	-154.8	136.4	150.9	11.2	0	0	0	0	110.3
644	S	28.8	Very low	31.9	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	79%	0.79	S	S	*	*			trans	-124.8	130.7	171.5	172.9	0	0	0	0	108.5
645	V	31.9	Very low	31.4	Very low	139 Å²	139	138 Å²	138	84%	0.842	80%	0.795	S	S	*	*			trans	-145.1	133	165.3	-175.4	0	0	0	0	107.9
646	C	26.4	Very low	31.3	Very low	92 Å²	92	139.9 Å²	139.9	62%	0.622	80%	0.796	S	S	*	*			trans	-108.1	161.9	179.7	-57.6	0	0	0	0	111.7
647	H	30.3	Very low	30.8	Very low	182 Å²	182	141.6 Å²	141.6	84%	0.843	80%	0.799	S	S	*	*			trans	65.7	138.4	162.1	-65.6	-56.9	0	0	0	117.1
648	V	29.5	Very low	30.5	Very low	127 Å²	127	141.4 Å²	141.4	77%	0.77	80%	0.798	S	S	*	*			cis	-164.9	168.2	25.3	104.1	0	0	0	0	110.8
649	N	28.1	Very low	30.2	Very low	151 Å²	151	143.3 Å²	143.3	81%	0.807	80%	0.804	S	S	*	*			trans	-67.9	157.9	-176.4	-60.3	-21.1	0	0	0	115.7
650	K	30	Very low	29.8	Very low	211 Å²	211	143.2 Å²	143.2	92%	0.917	81%	0.807	S	S	*	*			trans	-146.9	149.9	132.6	-122	174.8	-168.4	179.4	0	112.6
651	S	29.1	Very low	29.7	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	81%	0.807	S	S	*	*			trans	-114.6	-175.8	-166.7	57.8	0	0	0	0	113
652	N	31.3	Very low	29.5	Very low	150 Å²	150	143.9 Å²	143.9	80%	0.802	81%	0.805	S	S	*	*			trans	117.3	136.3	160.6	-61.3	3.1	0	0	0	112.3
653	A	31.1	Very low	29.4	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	81%	0.805	S	S	*	*			cis	-158.5	-176.1	-11.3	0	0	0	0	0	107
654	T	33.7	Very low	29.1	Very low	133 Å²	133	141 Å²	141	82%	0.816	80%	0.796	S	S	*	*			cis	-144.3	160.8	12.8	45.2	0	0	0	0	110.9
655	E	27.2	Very low	29	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	80%	0.803	S	S	*	*			trans	-72.8	157	172.6	-54.3	163.4	104	0	0	113.7
656	K	33.7	Very low	28.6	Very low	209 Å²	209	143.1 Å²	143.1	91%	0.909	80%	0.801	S	S	*	*				-163.7	145.9	117.3	-110	173.9	-176.1	-179.3	0	112.9
657	N	27.9	Very low	29.3	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	81%	0.813	S	S	*	*			trans	-65.8	156.2	176	-71.6	-51	0	0	0	113.1
658	I	31.5	Very low	29.2	Very low	166 Å²	166	140.1 Å²	140.1	85%	0.851	81%	0.811	S	S	*	*				-163.3	149.1	121.1	-98.5	152.4	0	0	0	109
659	N	25.1	Very low	29	Very low	159 Å²	159	142.5 Å²	142.5	85%	0.85	81%	0.814	S	S	*	*			trans	-134.8	151.6	175.7	-154.8	-5.8	0	0	0	109.1
660	C	23.9	Very low	29.1	Very low	116 Å²	116	143.6 Å²	143.6	78%	0.784	82%	0.817	S	S	*	*			trans	71.3	173.2	179.6	-151.5	0	0	0	0	117.5
661	V	28.6	Very low	29	Very low	124 Å²	124	138.4 Å²	138.4	75%	0.752	80%	0.804	S	S	*	*			trans	80.2	120.5	-164.5	-177.2	0	0	0	0	112.5
662	Q	29.9	Very low	29	Very low	180 Å²	180	141 Å²	141	84%	0.841	81%	0.809	S	S	*	*			cis	-152.2	168.1	-1.4	-134.7	167	-5.4	0	0	112.3
663	S	25	Very low	28.9	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	81%	0.808	S	S	*	*			trans	-95.5	148.9	169.1	50.5	0	0	0	0	112.1
664	A	28	Very low	29.1	Very low	88 Å²	88	140.7 Å²	140.7	73%	0.727	81%	0.808	S	S	*	*			trans	175.9	121.9	140.5	0	0	0	0	0	114.7
665	L	27.6	Very low	29.1	Very low	171 Å²	171	141.3 Å²	141.3	90%	0.895	81%	0.806	S	S	*	*			trans	50	141.3	130.6	-66.8	158.4	0	0	0	123.9
666	C	22.4	Very low	29.4	Very low	119 Å²	119	140.9 Å²	140.9	80%	0.804	80%	0.804	S	S	*	*			trans	-133.4	169.3	157.8	-79.2	0	0	0	0	107.8
667	P	41.3	Very low	29.4	Very low	133 Å²	133	136.6 Å²	136.6	86%	0.864	79%	0.791	S	S	*	*			cis	-128.5	-172.8	-26.2	36.8	-19.6	0	0	0	112.2
668	G	28.1	Very low	29.5	Very low	77 Å²	77	136.8 Å²	136.8	79%	0.794	79%	0.791	S	S	*	*			trans	-164.2	139.8	166.9	0	0	0	0	0	112.3
669	E	25.5	Very low	29.6	Very low	178 Å²	178	135 Å²	135	83%	0.832	78%	0.782	S	S	*	*			trans	-91.7	150.8	-173.4	-59	170.8	112.4	0	0	113.4
670	I	31.1	Very low	29.9	Very low	173 Å²	173	135 Å²	135	89%	0.887	78%	0.777	S	S	*	*			trans	-137.3	139.7	149.6	-59.8	-176.6	0	0	0	107.6
671	T	26.7	Very low	30.3	Very low	102 Å²	102	137.2 Å²	137.2	63%	0.626	77%	0.773	S	S	*	*			trans	-125.8	175.1	-173.3	45.1	0	0	0	0	112.4
672	L	30.8	Very low	30.4	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	77%	0.774	S	S	*	*			trans	78.3	151.8	166.1	-48.7	179.6	0	0	0	118
673	D	28.6	Very low	30.5	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	78%	0.778	S	S	*	*			cis	-167.2	154	-45.2	-134.1	-34.2	0	0	0	109.8
674	A	35.5	Very low	31	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	78%	0.782	S	S	*	*			trans	-158.8	126.5	169	0	0	0	0	0	113.8
675	N	32.7	Very low	31.8	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	77%	0.774	S	S	*	*			trans	-73.1	166.7	177.7	-75.5	-64	0	0	0	111.9
676	E	34.8	Very low	32.1	Very low	172 Å²	172	143 Å²	143	80%	0.804	77%	0.767	S	S	*	*				-155.3	142.2	51.9	-65.6	-164.7	97.6	0	0	118
677	N	31.9	Very low	32.7	Very low	118 Å²	118	142.3 Å²	142.3	63%	0.631	76%	0.764	S	S	*	*			trans	31.4	126	134.6	-58.2	-59.3	0	0	0	121.8
678	L	31.5	Very low	32.4	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	77%	0.765	S	S	*	*				-164.9	119.5	102.2	-127	82.9	0	0	0	115.5
679	I	32.2	Very low	32.4	Very low	128 Å²	128	152.2 Å²	152.2	66%	0.656	77%	0.767	S	S	*	*			trans	48.2	111.4	132.8	-64.3	176.7	0	0	0	121.1
680	Q	31	Very low	32.7	Very low	160 Å²	160	152.5 Å²	152.5	75%	0.748	77%	0.769	S	S	*	*			trans	60.8	148.8	141.4	-59.9	177.5	26.7	0	0	119.2
681	K	32.4	Very low	32.7	Very low	162 Å²	162	149.8 Å²	149.8	70%	0.704	77%	0.765	S	S	*	*			cis	-162.5	143	29.6	-147.3	169.7	-168.2	174	0	113
682	Q	30.6	Very low	33.5	Very low	165 Å²	165	150 Å²	150	77%	0.771	77%	0.768	S	S	*	*			trans	29.6	116.5	149.7	-65	168.7	-37.7	0	0	121.1
683	Q	33.1	Very low	33.5	Very low	199 Å²	199	148.2 Å²	148.2	93%	0.93	76%	0.763	S	S	*	*				-160.2	163.2	109.3	-105.7	172.7	26.5	0	0	112.4
684	Q	35.5	Very low	33.6	Very low	180 Å²	180	148.5 Å²	148.5	84%	0.841	76%	0.764	S	S	*	*			trans	-149.7	176.1	-167.1	-99.9	-166.4	-2.1	0	0	108.3
685	P	43.7	Very low	33.4	Very low	85 Å²	85	151.7 Å²	151.7	55%	0.552	76%	0.762	S	S	*	*			cis	-135.5	-170	-40.6	39.3	-22.7	0	0	0	111
686	H	35.1	Very low	33.4	Very low	165 Å²	165	149.3 Å²	149.3	76%	0.764	75%	0.753	S	S	*	*				175.6	127.6	115.4	-98	-66.4	0	0	0	115.6
687	S	35.6	Very low	33.4	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	75%	0.75	S	S	*	*			trans	63.7	142.9	147.4	56.4	0	0	0	0	120.9
688	R	34.1	Very low	33.5	Very low	238 Å²	238	149 Å²	149	90%	0.898	76%	0.757	S	S	*	*			cis	-152.9	148.1	-0.4	-124.1	172.7	-167.2	170.7	3	110.9
689	H	28.4	Very low	33.5	Very low	180 Å²	180	144.9 Å²	144.9	83%	0.833	75%	0.752	S	S	*	*			trans	-93.3	160.4	162.5	-90.8	-91.9	0	0	0	110.2
690	E	30.9	Very low	33.7	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	76%	0.759	S	S	*	*			trans	-163.2	140.4	137.1	-122.5	167	-127.6	0	0	114.8
691	S	31	Very low	33.9	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	76%	0.757	S	S	*	*			trans	164.5	160.6	174.9	-85.1	0	0	0	0	108.6
692	P	43.6	Very low	34	Very low	106 Å²	106	147.7 Å²	147.7	69%	0.688	76%	0.761	S	S	*	*			cis	-140	172.6	-7	36.5	-16	0	0	0	117.4
693	T	31	Very low	34.2	Very low	115 Å²	115	145 Å²	145	71%	0.706	76%	0.76	S	S	*	*			trans	68.4	135.1	141.3	44	0	0	0	0	126.4
694	I	31.7	Very low	34.5	Very low	151 Å²	151	140.8 Å²	140.8	77%	0.774	75%	0.75	S	S	*	*			trans	77.9	136.3	138.9	-70.2	166.1	0	0	0	117.7
695	H	30.7	Very low	34.3	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.727	75%	0.748	S	S	*	*			cis	-134.2	-146.6	6.2	-146.1	-2.5	0	0	0	111.5
696	T	32.8	Very low	33.8	Very low	96 Å²	96	141 Å²	141	59%	0.589	76%	0.759	S	S	*	*			cis	-162.9	157.7	6.1	-10.3	0	0	0	0	110.8
697	H	33.9	Very low	33.7	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.736	76%	0.763	S	S	*	*			trans	37.9	150.6	147.1	-65.8	-36.8	0	0	0	124.1
698	T	33.8	Very low	33.6	Very low	125 Å²	125	142.3 Å²	142.3	77%	0.767	77%	0.767	S	S	*	*			cis	-167.5	151.8	-6	22.1	0	0	0	0	114
699	G	32.7	Very low	33.6	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	76%	0.761	S	S	*	*			trans	111.5	152.6	144.8	0	0	0	0	0	117.9
700	H	36.2	Very low	33.7	Very low	177 Å²	177	132.9 Å²	132.9	82%	0.819	76%	0.758	S	S	*	*			cis	-170.2	173.2	-24.3	-127.7	-68.2	0	0	0	109.9
701	L	34.9	Very low	33.7	Very low	132 Å²	132	129.7 Å²	129.7	69%	0.691	76%	0.756	S	S	*	*			trans	80.3	138.1	173.3	-47.5	-179	0	0	0	115.7
702	Y	35.4	Very low	33.5	Very low	200 Å²	200	130.2 Å²	130.2	78%	0.784	76%	0.755	S	S	*	*			cis	-148.6	128.6	-3.1	-106.5	-55.9	0	0	0	112.8
703	S	34.4	Very low	33	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	76%	0.763	S	S	*	*			trans	73	153.4	136.5	-66.9	0	0	0	0	126.7
704	P	39.8	Very low	32.9	Very low	110 Å²	110	135.8 Å²	135.8	71%	0.714	77%	0.767	S	S	*	*			trans	-144.6	162.5	-153.9	42	-20	0	0	0	121.2
705	I	29.7	Very low	32.6	Very low	157 Å²	157	133.9 Å²	133.9	81%	0.805	77%	0.766	S	S	*	*			trans	40.7	123.2	136.4	-54.4	168.6	0	0	0	123.5
706	S	34.7	Very low	32.4	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	77%	0.774	S	S	*	*			trans	-163.8	126	133.4	53.2	0	0	0	0	109.1
707	Q	32.8	Very low	32.3	Very low	181 Å²	181	136.9 Å²	136.9	85%	0.846	78%	0.783	S	S	*	*				51.9	129.3	77.9	-63.2	-167.9	4.9	0	0	114.5
708	S	33.7	Very low	32.1	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	79%	0.787	S	S	*	*			cis	-147.6	173.4	7.3	65.9	0	0	0	0	109.5
709	S	33.6	Very low	32.1	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	79%	0.788	S	S	*	*			cis	-163.6	-174.8	48.6	61.7	0	0	0	0	114.5
710	S	29.9	Very low	31.9	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	80%	0.795	S	S	*	*			trans	-65.7	159.8	-175.3	55.3	0	0	0	0	115.5
711	S	32.1	Very low	31.6	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	80%	0.795	S	S	*	*			cis	-153.7	169	46.9	59.6	0	0	0	0	117.4
712	T	27.2	Very low	31.1	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	80%	0.799	S	S	*	*			trans	-97.7	145.9	-164.8	-32.6	0	0	0	0	113.8
713	L	31.1	Very low	30.8	Very low	166 Å²	166	139.1 Å²	139.1	87%	0.869	80%	0.803	S	S	*	*			trans	-152.7	166.5	141.5	-113	168.6	0	0	0	111
714	H	30.3	Very low	30.4	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.796	81%	0.808	S	S	*	*			trans	-86.6	148.3	-150.4	-100.4	-77.3	0	0	0	117.4
715	C	24.4	Very low	29.9	Very low	111 Å²	111	142.2 Å²	142.2	75%	0.75	81%	0.808	S	S	*	*			trans	-68.2	150.3	174.8	-39.2	0	0	0	0	113.8
716	K	27.9	Very low	29.8	Very low	203 Å²	203	144.2 Å²	144.2	88%	0.883	81%	0.813	S	S	*	*			trans	-160.9	100	131.8	-111	175.6	-174.5	-178.5	0	110.2
717	S	30	Very low	29.7	Very low	113 Å²	113	145 Å²	145	79%	0.79	81%	0.813	S	S	*	*			trans	-139.4	112.4	176.8	-49.3	0	0	0	0	108.2	P719	S717-P719 WeakPolarHBondContact O-CD 3.45Å
718	S	29.1	Very low	29.6	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	81%	0.806	S	S	*	*			trans	-93.3	115.8	-177.9	-62.3	0	0	0	0	110.4	I720	S718-I720 PolarHBondContact O-N 3.41Å
719	P	33.4	Very low	29.3	Very low	121 Å²	121	145.4 Å²	145.4	79%	0.786	81%	0.811	S	S	*	*			trans	-79.1	111.6	171.6	30.9	-31.3	0	0	0	109.6	S717 K721	S717-P719 WeakPolarHBondContact O-CD 3.45Å; P719-K721 PolarHBondContact O-N 3.32Å
720	I	29.3	Very low	29	Very low	166 Å²	166	145.9 Å²	145.9	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.6	119.3	168.5	-66.4	177.3	0	0	0	107.7	S718	S718-I720 PolarHBondContact O-N 3.41Å
721	K	29.1	Very low	28.9	Very low	188 Å²	188	146.8 Å²	146.8	82%	0.817	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.7	136.1	174.3	-79.3	-174.6	174.1	-178.6	0	110.1	P719 Q723	P719-K721 PolarHBondContact O-N 3.32Å; K721-Q723 PolarHBondContact O-N 3.1Å
722	V	25.1	Very low	28.7	Very low	128 Å²	128	146.7 Å²	146.7	78%	0.776	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-54.9	123.4	167.2	178	0	0	0	0	109.6	Q724	V722-Q724 HydrophobicContact CG1-CG 4.11Å
723	Q	28.7	Very low	28.8	Very low	188 Å²	188	147.1 Å²	147.1	88%	0.879	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-95.9	116.4	157	-84.3	-172.3	-33.8	0	0	108.4	K721 S725	K721-Q723 PolarHBondContact O-N 3.1Å; Q723-S725 PolarHBondContact O-N 3.04Å
724	Q	26.3	Very low	28.7	Very low	183 Å²	183	147.9 Å²	147.9	86%	0.855	82%	0.815	S	S	*	*			trans	-82	97.1	164.2	-71.4	176.1	-35.1	0	0	107.9	V722	V722-Q724 HydrophobicContact CG1-CG 4.11Å
725	S	30	Very low	28.6	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	81%	0.81	S	S	*	*			trans	-80.9	132.2	163.5	47.2	0	0	0	0	109.3	Q723 V727	Q723-S725 PolarHBondContact O-N 3.04Å; S725-V727 PolarHBondContact O-N 3.43Å
726	Q	27.8	Very low	28.8	Very low	198 Å²	198	144.9 Å²	144.9	93%	0.925	81%	0.811	S	S	*	*			trans	-76	123.3	176.3	-67.8	169.9	-31.3	0	0	109.2
727	V	31.1	Very low	28.8	Very low	127 Å²	127	145 Å²	145	77%	0.77	81%	0.807	S	S	*	*			trans	-106.8	127.7	168.6	-177.1	0	0	0	0	107.5	S725	S725-V727 PolarHBondContact O-N 3.43Å
728	P	31.6	Very low	28.8	Very low	107 Å²	107	147.6 Å²	147.6	70%	0.695	81%	0.812	S	S	*	*			trans	-72.2	159.5	-178.1	30.2	-35.3	0	0	0	112.1	C730	P728-C730 PolarHBondContact O-N 3.21Å; P728-C730 VanDerWaalsContact O-N 3.11Å
729	H	26.6	Very low	29	Very low	198 Å²	198	151.8 Å²	151.8	92%	0.917	82%	0.815	S	S	*	*			trans	-58.6	112.9	173.5	-79.4	-85.7	0	0	0	111.5
730	C	29	Very low	29	Very low	123 Å²	123	154.1 Å²	154.1	83%	0.831	81%	0.813	S	S	*	*			trans	-88.5	147.6	158.4	-87.8	0	0	0	0	110.5	P728	P728-C730 PolarHBondContact O-N 3.21Å; P728-C730 VanDerWaalsContact O-N 3.11Å
731	V	27.8	Very low	28.9	Very low	128 Å²	128	155.2 Å²	155.2	78%	0.776	82%	0.815	S	S	*	*			trans	-80.9	141.8	-173.5	175.7	0	0	0	0	110.9	V733	V731-V733 PolarHBondContact O-N 3.32Å; V731-V733 VanDerWaalsContact O-N 3.15Å
732	S	27.8	Very low	29.1	Very low	116 Å²	116	153.3 Å²	153.3	81%	0.811	81%	0.808	S	S	*	*			trans	-61.6	110.6	169.4	-51.2	0	0	0	0	110.6
733	V	28.5	Very low	29.4	Very low	135 Å²	135	158.5 Å²	158.5	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.8	116.8	169.8	-179.7	0	0	0	0	108.1	V731	V731-V733 PolarHBondContact O-N 3.32Å; V731-V733 VanDerWaalsContact O-N 3.15Å
734	E	29.6	Very low	29.6	Very low	182 Å²	182	153.5 Å²	153.5	85%	0.85	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.9	130.5	175.9	-64.6	-174.1	128.7	0	0	110.6
735	S	28.4	Very low	29.8	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.4	121.3	175.2	179.9	0	0	0	0	110.7	Y737	S735-Y737 PolarHBondContact O-N 3.36Å
736	P	28	Very low	29.9	Very low	118 Å²	118	154.5 Å²	154.5	77%	0.766	81%	0.809	S	S	*	*			trans	-85.8	43.4	-174.8	36.3	-37.3	0	0	0	113.5
737	Y	27.8	Very low	30.1	Very low	205 Å²	205	150.6 Å²	150.6	80%	0.804	80%	0.799	S	S	*	*			trans	-127.2	72.4	179.4	-86.7	-77.4	0	0	0	113.3	S735	S735-Y737 PolarHBondContact O-N 3.36Å
738	L	30.1	Very low	30.1	Very low	169 Å²	169	149 Å²	149	89%	0.885	79%	0.793	S	S	*	*			trans	-166.3	98.2	158.2	-114.2	167	0	0	0	112.5
739	K	33.3	Very low	30.3	Very low	205 Å²	205	151.4 Å²	151.4	89%	0.891	80%	0.8	S	S	*	*			trans	-156.3	98.9	157.4	-123.5	169	-171.1	172.1	0	114.1
740	K	33.1	Very low	30.7	Very low	169 Å²	169	147.3 Å²	147.3	74%	0.735	79%	0.789	S	S	*	*			trans	48.6	116.3	151.8	-73.3	-161.8	157.2	-131.8	0	120	E742	K740-E742 IonicContact NZ-OE2 2.93Å; K740-E742 PolarHBondContact NZ-OE2 3.39Å
741	Q	28.2	Very low	31	Very low	190 Å²	190	151.6 Å²	151.6	89%	0.888	79%	0.789	S	S	*	*			trans	-63.5	140.5	131.3	-64.2	168.5	-55.5	0	0	109.3
742	E	31.4	Very low	31.3	Very low	147 Å²	147	151.8 Å²	151.8	69%	0.687	79%	0.786	S	S	*	*			trans	162	106.9	144.7	-94.7	174.5	149.9	0	0	109.4	K740	K740-E742 IonicContact NZ-OE2 2.93Å; K740-E742 PolarHBondContact NZ-OE2 3.39Å
743	Y	31.6	Very low	31.8	Very low	238 Å²	238	153.4 Å²	153.4	93%	0.933	79%	0.785	S	S	*	*				-178.1	141.7	121.8	-104.3	-71.2	0	0	0	109.3
744	A	33.1	Very low	32.3	Very low	82 Å²	82	152.2 Å²	152.2	68%	0.678	78%	0.779	S	S	*	*			trans	-113.8	153.9	-176.9	0	0	0	0	0	112.1
745	S	29.9	Very low	32.9	Very low	108 Å²	108	149.6 Å²	149.6	76%	0.755	78%	0.775	S	S	*	*			trans	51.2	118.9	156.5	61.1	0	0	0	0	119.6
746	F	32.3	Very low	33.6	Very low	199 Å²	199	156.9 Å²	156.9	87%	0.873	80%	0.798	S	S	*	*			trans	-147.7	125.2	130.1	-116.9	-79.7	0	0	0	112.2
747	T	33.4	Very low	33.9	Very low	115 Å²	115	158.9 Å²	158.9	71%	0.706	80%	0.799	S	S	*	*			trans	7.9	134.9	165.6	57.9	0	0	0	0	123.8
748	S	30.5	Very low	34.3	Very low	93 Å²	93	156.4 Å²	156.4	65%	0.65	80%	0.799	S	S	*	*			trans	-28.3	147.7	148.5	53.8	0	0	0	0	120.8
749	D	35.1	Very low	34.5	Very low	158 Å²	158	155.7 Å²	155.7	85%	0.845	79%	0.794	S	S	*	*				-159.5	118.4	128.8	-86.7	-34.2	0	0	0	105.4
750	V	35.8	Very low	34.5	Very low	113 Å²	113	152.8 Å²	152.8	69%	0.685	79%	0.789	S	S	*	*				63.8	94.3	61.3	-172.2	0	0	0	0	113.9
751	Y	34.5	Very low	34.6	Very low	213 Å²	213	151.8 Å²	151.8	84%	0.835	79%	0.792	S	S	*	*				-168.6	165.3	120.8	-119.3	-87.1	0	0	0	112.1
752	N	35	Very low	35.1	Very low	132 Å²	132	149.3 Å²	149.3	71%	0.706	79%	0.786	S	S	*	*			trans	-70.4	166.9	179.3	-50	-29.1	0	0	0	111.4
753	D	38.6	Very low	35.3	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	79%	0.793	S	S	*	*				-161	176.8	69.3	-115.5	-18.4	0	0	0	117.8
754	T	38.9	Very low	35.6	Very low	110 Å²	110	142.6 Å²	142.6	68%	0.675	78%	0.782	S	S	*	*			trans	-66.5	167.4	-163.7	49.2	0	0	0	0	119.3
755	T	43.1	Very low	35.8	Very low	128 Å²	128	147.7 Å²	147.7	79%	0.785	79%	0.791	S	S	*	*			trans	66.1	114.8	153.8	45.2	0	0	0	0	119
756	H	43.1	Very low	36.4	Very low	254 Å²	254	151.3 Å²	151.3	100%	1.176	79%	0.794	S	S	*	*				-147.7	0	84.6	-146.2	-48.7	0	0	0	112.1

Retrieved 756 of 756 residues in 238.3 ms (Link to these results)

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