A0A087XIU2_POEFO Loading...

Tetratricopeptide repeat domain 39A

AlphaFold DB , UniProt , Accession A0A087XIU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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	32.3	Very low	26	Very low	242 Å²	242	176.2 Å²	176.2	100%	1.192	89%	0.886	S	S	*	*				0	70.2	0	-68.5	-168.8	-150.4	0	0	112.1
2	S	25.5	Very low	25.8	Very low	112 Å²	112	181.4 Å²	181.4	78%	0.783	89%	0.887	S	S	*	*			trans	-141.2	10.4	173.5	-170.6	0	0	0	0	114.3
3	F	24.5	Very low	25.7	Very low	206 Å²	206	180.8 Å²	180.8	90%	0.904	88%	0.877	S	S	*	*	S	Bend	trans	-104	2.6	-174.8	-85.5	-84.1	0	0	0	115.1
4	I	29	Very low	25.7	Very low	148 Å²	148	179.9 Å²	179.9	76%	0.759	88%	0.879	S	S	*	*	S	Bend	trans	-87.2	-13.4	-169.1	-67	174.8	0	0	0	114.2
5	N	22.6	Very low	25.7	Very low	162 Å²	162	176.6 Å²	176.6	87%	0.866	87%	0.867	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-0.8	-165.9	-81.8	-15	0	0	0	117.6
6	S	25.3	Very low	25.6	Very low	115 Å²	115	170 Å²	170	80%	0.804	86%	0.858	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-3.4	-172.5	-162.2	0	0	0	0	116.6	R8	S6-R8 PolarHBondContact O-N 2.93Å
7	F	28.6	Very low	25.6	Very low	201 Å²	201	172.5 Å²	172.5	88%	0.882	86%	0.862	S	S	*	*			trans	-94.4	13.4	-165.4	-145.8	-100.6	0	0	0	116.5
8	R	24.6	Very low	25.6	Very low	242 Å²	242	174.3 Å²	174.3	91%	0.913	86%	0.863	S	S	*	*			trans	-99.3	17.5	-168.1	-125.2	-178.9	-171	177.9	3.5	117.7	S6	S6-R8 PolarHBondContact O-N 2.93Å
9	R	24.5	Very low	25.6	Very low	245 Å²	245	172.3 Å²	172.3	93%	0.925	86%	0.861	S	S	*	*			trans	-145.9	90	176.8	-75.3	-174.2	176.3	171.2	-1.1	113.1
10	S	24.3	Very low	25.5	Very low	120 Å²	120	168.4 Å²	168.4	84%	0.839	86%	0.857	S	S	*	*			trans	178.8	93	135.4	-169.9	0	0	0	0	110.1
11	V	24.5	Very low	25.6	Very low	145 Å²	145	169.5 Å²	169.5	88%	0.879	86%	0.859	S	S	*	*			trans	-139.6	108.6	164.2	178.5	0	0	0	0	107.8
12	R	24.3	Very low	25.2	Very low	239 Å²	239	167.1 Å²	167.1	90%	0.902	85%	0.845	S	S	*	*			trans	-155.9	105.5	156.2	-99.1	-177.4	178.9	-175.3	-1.3	106
13	K	24.6	Very low	25.1	Very low	174 Å²	174	166.5 Å²	166.5	76%	0.757	85%	0.847	S	S	*	*				90.3	108.6	90.6	-125.2	-164.8	-176.6	-158.7	0	110.2
14	D	25.3	Very low	25.1	Very low	168 Å²	168	166.1 Å²	166.1	90%	0.898	85%	0.848	S	S	*	*			trans	-145.5	132.1	149.2	-142.9	-4.6	0	0	0	110
15	D	25.1	Very low	24.9	Very low	130 Å²	130	166.4 Å²	166.4	70%	0.695	85%	0.851	S	S	*	*			trans	-106.6	135.4	-169.9	-87.5	-46.2	0	0	0	110.1
16	G	24.8	Very low	25.1	Very low	71 Å²	71	166.6 Å²	166.6	73%	0.732	85%	0.85	S	S	*	*			trans	96.8	114.4	140.6	0	0	0	0	0	119.1
17	K	26.1	Very low	25.3	Very low	213 Å²	213	166.8 Å²	166.8	93%	0.926	85%	0.849	S	S	*	*				177.2	133.1	93.8	-98.1	178.3	178	176.6	0	111.7
18	K	24.9	Very low	25.1	Very low	204 Å²	204	165.2 Å²	165.2	89%	0.887	85%	0.849	S	S	*	*			trans	-74.2	139.9	168	-74.1	176.7	172.3	179.4	0	110.2
19	V	26	Very low	25.2	Very low	136 Å²	136	159.2 Å²	159.2	82%	0.824	85%	0.845	S	S	*	*			trans	-134.4	124.7	147	-179.5	0	0	0	0	107.2
20	A	23.8	Very low	25.8	Very low	94 Å²	94	152.6 Å²	152.6	78%	0.777	83%	0.834	S	S	*	*			trans	-92	139.1	173.8	0	0	0	0	0	108.3
21	E	26.4	Very low	25.8	Very low	192 Å²	192	154.9 Å²	154.9	90%	0.897	84%	0.836	S	S	*	*			trans	-147.3	144	160.3	-113.8	168.6	-161.4	0	0	110.5
22	Q	25.1	Very low	26.1	Very low	193 Å²	193	153.7 Å²	153.7	90%	0.902	83%	0.834	S	S	*	*			trans	-83	153.4	-153.1	-71.4	165.7	-23.1	0	0	113.6
23	A	22.9	Very low	26.3	Very low	99 Å²	99	148 Å²	148	82%	0.818	83%	0.829	S	S	*	*			trans	-69	140.7	168.2	0	0	0	0	0	112
24	Q	25.2	Very low	26.4	Very low	198 Å²	198	144.7 Å²	144.7	93%	0.925	83%	0.827	S	S	*	*			trans	-136.8	122.1	153.9	-80.4	-173.6	-17	0	0	109.2
25	D	23.8	Very low	26.7	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	83%	0.828	S	S	*	*			trans	-70.4	162.6	165.4	-79.9	-45.3	0	0	0	111.7
26	I	27	Very low	26.8	Very low	166 Å²	166	149.5 Å²	149.5	85%	0.851	83%	0.834	S	S	*	*			trans	149.7	143.9	148.9	-77.6	162.7	0	0	0	109.7
27	P	28.7	Very low	27.2	Very low	120 Å²	120	151.6 Å²	151.6	78%	0.779	84%	0.837	S	S	*	*				-123.2	-175.7	-103.5	23.8	4.1	0	0	0	113.8
28	D	25.8	Very low	27.3	Very low	167 Å²	167	148.2 Å²	148.2	89%	0.893	83%	0.828	S	S	*	*			trans	-60.2	138.6	176.9	-77.3	-43.4	0	0	0	115.5
29	S	26.9	Very low	27.5	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	83%	0.827	S	S	*	*			trans	-161.5	154	139.9	-137.2	0	0	0	0	112.2
30	P	35.4	Very low	27.7	Very low	106 Å²	106	146 Å²	146	69%	0.688	83%	0.83	S	S	*	*			trans	-97.9	141	-156.3	37.3	-30.2	0	0	0	112.2
31	D	24.9	Very low	27.9	Very low	168 Å²	168	144 Å²	144	90%	0.898	82%	0.819	S	S	*	*			trans	-151.9	129	153.8	-100.8	-31.5	0	0	0	111.4
32	S	32	Very low	28.1	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	82%	0.818	S	S	*	*			trans	-75.1	147.6	170.3	-61.3	0	0	0	0	109.8
33	P	28.1	Very low	28.3	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	82%	0.818	S	S	*	*			trans	-119.5	117	148.9	12.6	7.8	0	0	0	111.5
34	S	25.9	Very low	28.5	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	81%	0.814	S	S	*	*			trans	-42.7	146.5	154.1	44.3	0	0	0	0	114.9
35	R	32.1	Very low	28.8	Very low	246 Å²	246	140.5 Å²	140.5	93%	0.928	81%	0.805	S	S	*	*			trans	38.4	105.1	151.3	-70.1	-174.6	-176.9	-163.5	1.3	117.1
36	L	26.7	Very low	29.1	Very low	154 Å²	154	139 Å²	139	81%	0.806	80%	0.804	S	S	*	*			trans	-116.2	106.1	158.6	-90.8	156.3	0	0	0	110.6
37	S	32.9	Very low	29.4	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	79%	0.792	S	S	*	*			trans	-66	110.3	158.9	43.2	0	0	0	0	110
38	I	28.5	Very low	29.6	Very low	142 Å²	142	137.7 Å²	137.7	73%	0.728	79%	0.789	S	S	*	*			trans	-139.6	91.7	166	-54.4	179.6	0	0	0	108.6
39	L	29.8	Very low	29.8	Very low	166 Å²	166	134.9 Å²	134.9	87%	0.869	78%	0.779	S	S	*	*			trans	-118.8	116.3	153.1	-81.8	168	0	0	0	105.1
40	S	30.6	Very low	30	Very low	127 Å²	127	136.7 Å²	136.7	89%	0.888	78%	0.779	S	S	*	*			trans	163.5	94.8	150.8	-72.1	0	0	0	0	109.4
41	G	27.5	Very low	29.8	Very low	53 Å²	53	137.7 Å²	137.7	55%	0.546	77%	0.773	S	S	.	*			trans	-148.5	134.8	166.7	0	0	0	0	0	108.5	E43	G41-E43 PolarHBondContact O-N 2.94Å
42	P	30.4	Very low	29.9	Very low	136 Å²	136	139.5 Å²	139.5	88%	0.883	77%	0.773	S	S	*	*	S	Bend	trans	-87.6	70.6	-168.3	36.1	-33.5	0	0	0	111.1
43	E	28.9	Very low	30.1	Very low	192 Å²	192	138.2 Å²	138.2	90%	0.897	76%	0.756	S	S	*	*			trans	-148.9	57.5	165.4	-77	-165	162.2	0	0	110.2	G41	G41-E43 PolarHBondContact O-N 2.94Å
44	L	28.2	Very low	30.1	Very low	142 Å²	142	141.2 Å²	141.2	74%	0.743	76%	0.76	S	S	*	*			trans	-104.3	109.8	169.1	-76.5	161.3	0	0	0	108.2
45	D	31.5	Very low	30.2	Very low	137 Å²	137	143.2 Å²	143.2	73%	0.733	76%	0.761	S	S	*	*			trans	-50.6	135.2	156.1	-82.4	-37	0	0	0	107.7	I47	D45-I47 PolarHBondContact O-N 3.4Å
46	P	28.5	Very low	30.3	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	75%	0.752	S	S	*	*			trans	-64.6	103	-178.3	25.5	-31.4	0	0	0	109.1	I48	P46-I48 PolarHBondContact O-N 2.84Å
47	I	34.4	Very low	30.4	Very low	116 Å²	116	138.4 Å²	138.4	60%	0.595	76%	0.755	S	S	*	*			trans	-66.3	113.3	166.4	-57.6	175.5	0	0	0	105.4	D45 T49	D45-I47 PolarHBondContact O-N 3.4Å; I47-T49 HydrophobicContact CG2-CG2 3.74Å; I47-T49 PolarHBondContact O-N 3.28Å
48	I	32.8	Very low	30.6	Very low	142 Å²	142	141.2 Å²	141.2	73%	0.728	76%	0.761	S	S	*	*			trans	-67.9	87.9	165.8	-60.8	175.5	0	0	0	106.5	P46	P46-I48 PolarHBondContact O-N 2.84Å
49	T	30.4	Very low	30.6	Very low	109 Å²	109	139.8 Å²	139.8	67%	0.669	76%	0.764	S	S	*	*			trans	-89.5	95.4	163	42.6	0	0	0	0	107.9	I47	I47-T49 HydrophobicContact CG2-CG2 3.74Å; I47-T49 PolarHBondContact O-N 3.28Å
50	D	30.5	Very low	31	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	77%	0.767	S	S	*	*			trans	169.5	94.6	139	-90.5	-20.3	0	0	0	107.9
51	F	30.7	Very low	31	Very low	128 Å²	128	139 Å²	139	56%	0.561	76%	0.764	S	S	*	*			trans	-126	102.8	166	-113.1	-92	0	0	0	107.9	L53	F51-L53 HydrophobicContact CD1-CD1 4.26Å
52	K	27.1	Very low	31.4	Very low	205 Å²	205	146.3 Å²	146.3	89%	0.891	78%	0.784	S	S	*	*			trans	-116.9	112.6	158.6	-83.7	-175.5	175.8	179.7	0	106.3
53	L	36.8	Very low	31.3	Very low	93 Å²	93	143.5 Å²	143.5	49%	0.487	78%	0.78	S	S	.	*	P	Polyproline II helix	trans	-72.2	125	169	-91.1	114.1	0	0	0	109.4	F51	F51-L53 HydrophobicContact CD1-CD1 4.26Å
54	Q	26.8	Very low	31.3	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-86.6	123.6	158.7	-73.3	-179.4	-18.5	0	0	108
55	L	29.8	Very low	31.4	Very low	145 Å²	145	142.6 Å²	142.6	76%	0.759	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.9	129.2	171.6	-67.4	165.8	0	0	0	108.6
56	P	33.3	Very low	31.3	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-88.2	139.8	174.8	26.7	-19.8	0	0	0	112.5
57	E	30	Very low	31.9	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.6	150.6	164.2	-69.7	179.2	152.8	0	0	111.2	S59	E57-S59 PolarHBondContact O-N 3.45Å
58	N	35.3	Very low	31.9	Very low	173 Å²	173	143.6 Å²	143.6	93%	0.925	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-47	127.4	-176.5	-74.7	-26.5	0	0	0	113.8
59	S	30	Very low	31.9	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	81%	0.809	S	S	*	*			trans	-148.6	127.2	153.5	44.9	0	0	0	0	110.7	E57	E57-S59 PolarHBondContact O-N 3.45Å
60	D	37.9	Very low	32.4	Very low	174 Å²	174	146.1 Å²	146.1	93%	0.93	82%	0.824	S	S	*	*			trans	-64.2	137.4	179.6	-66.5	-53.1	0	0	0	112.2
61	A	30.3	Very low	32.5	Very low	101 Å²	101	141.6 Å²	141.6	84%	0.835	81%	0.814	S	S	*	*			trans	-151.5	115.2	159.9	0	0	0	0	0	111.6
62	Q	36.6	Very low	33.1	Very low	207 Å²	207	142.2 Å²	142.2	97%	0.967	83%	0.833	S	S	*	*			trans	-69.4	138.7	167.1	-77.5	162.7	-38.3	0	0	111
63	G	28	Very low	34.1	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	83%	0.826	S	S	*	*			trans	-157.8	128.1	171.5	0	0	0	0	0	111.1
64	S	28	Very low	35.2	Very low	125 Å²	125	140.6 Å²	140.6	87%	0.874	83%	0.831	S	S	*	*			trans	-61.7	139	-166	47.9	0	0	0	0	117.1
65	M	31.1	Very low	37.7	Very low	190 Å²	190	134 Å²	134	94%	0.936	81%	0.805	S	S	*	*			trans	-88.5	132.3	166.6	-74.2	-175.9	177.3	0	0	111.3
66	D	28.8	Very low	40.4	Very low	161 Å²	161	134 Å²	134	86%	0.861	81%	0.806	S	S	*	*			trans	-104	128.8	156.6	-104.7	-27.6	0	0	0	108.7
67	P	41.7	Very low	43.1	Very low	123 Å²	123	129.4 Å²	129.4	80%	0.799	78%	0.775	S	S	*	*			trans	-99.1	120.5	-178.4	34.4	-26.4	0	0	0	110.7
68	S	34.6	Very low	46.1	Very low	113 Å²	113	121.2 Å²	121.2	79%	0.79	74%	0.738	S	S	*	*			trans	-146.9	124.3	165.2	59.7	0	0	0	0	114.3
69	S	32.4	Very low	48.8	Very low	120 Å²	120	115.9 Å²	115.9	84%	0.839	71%	0.712	S	S	*	*			trans	89.1	84.8	158.9	73.3	0	0	0	0	118.8	G71	S69-G71 PolarHBondContact O-N 3.09Å
70	N	40.5	Very low	51.9	Low	184 Å²	184	111 Å²	111	98%	0.984	68%	0.679	S	S	*	*			trans	-58	114.8	152.8	-96.6	-20	0	0	0	111.4
71	G	33.6	Very low	54.5	Low	59 Å²	59	102.8 Å²	102.8	61%	0.608	63%	0.634	S	S	*	*			trans	-154.1	114.3	153.6	0	0	0	0	0	106.7	S69 S73	S69-G71 PolarHBondContact O-N 3.09Å; G71-S73 PolarHBondContact O-N 3.08Å
72	C	42.1	Very low	57.5	Low	141 Å²	141	101.9 Å²	101.9	95%	0.953	61%	0.613	S	S	*	*			trans	-72.4	74.4	-177.8	-172.2	0	0	0	0	110.2
73	S	47.6	Very low	60.3	Low	108 Å²	108	92.9 Å²	92.9	76%	0.755	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-87.1	116.6	163.8	55.3	0	0	0	0	108.2	G71 S75	G71-S73 PolarHBondContact O-N 3.08Å; S73-S75 PolarHBondContact O-N 3.48Å
74	R	61.3	Low	63.6	Low	155 Å²	155	89.2 Å²	89.2	59%	0.585	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-54.7	138.2	172.1	-95.7	176.7	170.4	-165.4	-15.2	110	V79 E82	R74-V79 HydrophobicContact CB-CG2 4.23Å; R74-E82 IonicContact CZ-OE1 2.66Å; R74-E82 IonicContact CZ-OE2 3.17Å; R74-E82 IonicContact NH1-OE1 3.53Å; R74-E82 PolarHBondContact NH1-OE1 3.45Å; R74-E82 IonicContact NH1-OE2 2.73Å; R74-E82 PolarHBondContact NH1-OE2 2.9Å; R74-E82 IonicContact NH2-OE1 3.62Å; R74-E82 PolarHBondContact NH2-OE1 3.27Å; R74-E82 IonicContact NH2-OE2 2.74Å
75	S	78.4	Confident	66.8	Low	46 Å²	46	86.5 Å²	86.5	32%	0.322	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-64.3	145.7	176.3	65.7	0	0	0	0	111.2	S73 L77 S78 V79	S73-S75 PolarHBondContact O-N 3.48Å; S75-L77 PolarHBondContact O-N 3.42Å; S75-L77 VanDerWaalsContact O-N 3.16Å; S75-S78 WeakPolarHBondContact O-CB 3.34Å; S75-S78 PolarHBondContact O-N 2.96Å; S75-S78 WeakPolarHBondContact OG-CB 3.4Å; S75-S78 PolarHBondContact OG-N 2.85Å; S75-V79 PolarHBondContact O-N 3.14Å
76	D	86.9	Confident	69.9	Low	144 Å²	144	79 Å²	79	77%	0.77	48%	0.476	S	S	*	.	H	α-helix	trans	-56.1	-32.1	176.4	-71.1	-27.9	0	0	0	112	A80	D76-A80 VanDerWaalsContact O-CB 3.31Å; D76-A80 WeakPolarHBondContact O-CB 2.74Å; D76-A80 PolarHBondContact O-N 3.28Å
77	L	89.8	Confident	73.1	Confident	16 Å²	16	71.3 Å²	71.3	8%	0.084	44%	0.435	C	S	.	.	H	α-helix	trans	-62.1	-45.1	174	-179.7	61.1	0	0	0	112.4	S75 A80 L81 Y112 E163 H167 N224	S75-L77 PolarHBondContact O-N 3.42Å; S75-L77 VanDerWaalsContact O-N 3.16Å; L77-A80 PolarHBondContact O-N 3.47Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 4.16Å; L77-L81 WeakPolarHBondContact O-CG 3.4Å; L77-L81 PolarHBondContact O-N 3.48Å; L77-Y112 HydrophobicContact CD1-CD2 3.87Å; L77-Y112 HydrophobicContact CD1-CE2 3.72Å; L77-E163 HydrophobicContact CD2-CG 4.26Å; L77-H167 HydrophobicContact CD1-CB 4.44Å; L77-H167 HydrophobicContact CD2-CB 4.47Å; L77-N224 HydrophobicContact CD2-CB 4.47Å
78	S	92.3	Very high	75.7	Confident	15 Å²	15	67 Å²	67	11%	0.105	41%	0.405	C	S	.	.	H	α-helix	trans	-63.7	-46.4	178.6	-177.8	0	0	0	0	111.1	S75 A80 L81 E82 N224	S75-S78 WeakPolarHBondContact O-CB 3.34Å; S75-S78 PolarHBondContact O-N 2.96Å; S75-S78 WeakPolarHBondContact OG-CB 3.4Å; S75-S78 PolarHBondContact OG-N 2.85Å; S78-A80 VanDerWaalsContact C-N 3.28Å; S78-A80 PolarHBondContact O-N 3.39Å; S78-L81 PolarHBondContact O-N 3.29Å; S78-E82 WeakPolarHBondContact O-CG 3.42Å; S78-E82 PolarHBondContact O-N 3.2Å; S78-N224 WeakPolarHBondContact CA-OD1 3.4Å; S78-N224 WeakPolarHBondContact CB-OD1 3.31Å
79	V	92.9	Very high	78.7	Confident	62 Å²	62	63.3 Å²	63.3	38%	0.376	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-41.6	176.1	179.4	0	0	0	0	110.7	R74 S75 D83	R74-V79 HydrophobicContact CB-CG2 4.23Å; S75-V79 PolarHBondContact O-N 3.14Å; V79-D83 WeakPolarHBondContact O-CB 3.29Å; V79-D83 PolarHBondContact O-N 3.47Å
80	A	93.9	Very high	81.8	Confident	10 Å²	10	58.7 Å²	58.7	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-40	179.6	0	0	0	0	0	113.5	D76 L77 S78 D83 C84 S110	D76-A80 VanDerWaalsContact O-CB 3.31Å; D76-A80 WeakPolarHBondContact O-CB 2.74Å; D76-A80 PolarHBondContact O-N 3.28Å; L77-A80 PolarHBondContact O-N 3.47Å; S78-A80 VanDerWaalsContact C-N 3.28Å; S78-A80 PolarHBondContact O-N 3.39Å; A80-D83 PolarHBondContact O-N 3.03Å; A80-C84 WeakPolarHBondContact O-CB 3.24Å; A80-C84 PolarHBondContact O-N 2.74Å; A80-C84 PolarHBondContact O-SG 2.99Å; A80-S110 WeakPolarHBondContact CB-OG 3.31Å
81	L	93.9	Very high	84.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-47.7	176.5	-82.2	164.7	0	0	0	111.7	L77 S78 D83 C84 M85 Y112 N224 H227 F279	L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 4.16Å; L77-L81 WeakPolarHBondContact O-CG 3.4Å; L77-L81 PolarHBondContact O-N 3.48Å; S78-L81 PolarHBondContact O-N 3.29Å; L81-D83 VanDerWaalsContact C-N 3.28Å; L81-D83 PolarHBondContact O-N 3.42Å; L81-C84 PolarHBondContact O-N 3.39Å; L81-M85 WeakPolarHBondContact O-CG 3.34Å; L81-M85 PolarHBondContact O-N 3.27Å; L81-Y112 HydrophobicContact CD2-CD1 3.63Å; L81-Y112 HydrophobicContact CD2-CD2 4.07Å; L81-Y112 HydrophobicContact CD2-CE1 3.38Å; L81-Y112 HydrophobicContact CD2-CE2 3.87Å; L81-Y112 HydrophobicContact CD2-CG 3.97Å; L81-Y112 HydrophobicContact CG-CD2 4.24Å; L81-Y112 HydrophobicContact CG-CE1 4.5Å; L81-Y112 HydrophobicContact CG-CE2 4.2Å; L81-Y112 HydrophobicContact CG-CG 4.44Å; L81-N224 HydrophobicContact CD1-CB 3.8Å; L81-H227 HydrophobicContact CD1-CB 4.13Å; L81-H227 HydrophobicContact CD2-CB 4.25Å; L81-F279 HydrophobicContact CD2-CB 4.38Å
82	E	93.9	Very high	87.4	Confident	82 Å²	82	47.8 Å²	47.8	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-42.5	176.4	-72	-176.8	166.5	0	0	111.6	R74 S78 M85 A86	R74-E82 IonicContact CZ-OE1 2.66Å; R74-E82 IonicContact CZ-OE2 3.17Å; R74-E82 IonicContact NH1-OE1 3.53Å; R74-E82 PolarHBondContact NH1-OE1 3.45Å; R74-E82 IonicContact NH1-OE2 2.73Å; R74-E82 PolarHBondContact NH1-OE2 2.9Å; R74-E82 IonicContact NH2-OE1 3.62Å; R74-E82 PolarHBondContact NH2-OE1 3.27Å; R74-E82 IonicContact NH2-OE2 2.74Å; S78-E82 WeakPolarHBondContact O-CG 3.42Å; S78-E82 PolarHBondContact O-N 3.2Å; E82-M85 PolarHBondContact O-N 2.93Å; E82-A86 PolarHBondContact O-N 3Å
83	D	95.3	Very high	90	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-42	179	-156.3	11.8	0	0	0	111.8	V79 A80 L81 A86 A87 R102 K106 H113	V79-D83 WeakPolarHBondContact O-CB 3.29Å; V79-D83 PolarHBondContact O-N 3.47Å; A80-D83 PolarHBondContact O-N 3.03Å; L81-D83 VanDerWaalsContact C-N 3.28Å; L81-D83 PolarHBondContact O-N 3.42Å; D83-A86 PolarHBondContact O-N 3.02Å; D83-A87 PolarHBondContact O-N 2.8Å; D83-R102 PolarHBondContact O-NE 2.83Å; D83-R102 IonicContact OD1-CZ 3.63Å; D83-R102 IonicContact OD1-NE 3.95Å; D83-R102 PolarHBondContact OD1-NE 2.91Å; D83-R102 IonicContact OD1-NH2 3.34Å; D83-R102 PolarHBondContact OD1-NH2 3.48Å; D83-K106 IonicContact OD2-NZ 3.15Å; D83-K106 PolarHBondContact OD2-NZ 3.16Å; D83-H113 IonicContact OD2-CE1 2.69Å; D83-H113 IonicContact OD2-NE2 3.81Å; D83-H113 PolarHBondContact OD2-NE2 3.46Å; D83-H113 VanDerWaalsContact OD2-NE2 3.15Å
84	C	96.3	Very high	92.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-35.8	175.1	-68.5	0	0	0	0	112.6	A80 L81 A86 A87 L88 L103 Y112 F279	A80-C84 WeakPolarHBondContact O-CB 3.24Å; A80-C84 PolarHBondContact O-N 2.74Å; A80-C84 PolarHBondContact O-SG 2.99Å; L81-C84 PolarHBondContact O-N 3.39Å; C84-A86 VanDerWaalsContact C-N 3.35Å; C84-A87 PolarHBondContact O-N 3.09Å; C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 PolarHBondContact O-N 3.07Å; C84-L103 HydrophobicContact CB-CD2 4.44Å; C84-Y112 VanDerWaalsContact SG-C 3.59Å; C84-F279 HydrophobicContact CB-CD2 4.31Å; C84-F279 HydrophobicContact CB-CE2 3.89Å
85	M	95.1	Very high	94	Very high	67 Å²	67	37.6 Å²	37.6	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-65.2	-38.9	173.3	-74	-179.1	75.6	0	0	111.7	L81 E82 L88 D89 H227 F279	L81-M85 WeakPolarHBondContact O-CG 3.34Å; L81-M85 PolarHBondContact O-N 3.27Å; E82-M85 PolarHBondContact O-N 2.93Å; M85-L88 PolarHBondContact O-N 2.72Å; M85-D89 WeakPolarHBondContact O-CB 3.49Å; M85-D89 PolarHBondContact O-N 3.17Å; M85-H227 VanDerWaalsContact SD-CE1 3.56Å; M85-F279 HydrophobicContact CG-CB 4.23Å; M85-F279 HydrophobicContact CG-CD2 3.96Å
86	A	96.1	Very high	94.8	Very high	32 Å²	32	35.5 Å²	35.5	26%	0.264	18%	0.184	S	C	.	.	H	α-helix	trans	-65	-39.7	173.7	0	0	0	0	0	111.8	E82 D83 C84 D89 L90	E82-A86 PolarHBondContact O-N 3Å; D83-A86 PolarHBondContact O-N 3.02Å; C84-A86 VanDerWaalsContact C-N 3.35Å; A86-D89 PolarHBondContact O-N 3.37Å; A86-L90 WeakPolarHBondContact O-CG 3.47Å; A86-L90 PolarHBondContact O-N 2.89Å; A86-L90 VanDerWaalsContact O-N 3.07Å
87	A	97.1	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-41.1	173.3	0	0	0	0	0	112.6	D83 C84 D89 L90 F91 A99 R102 L103	D83-A87 PolarHBondContact O-N 2.8Å; C84-A87 PolarHBondContact O-N 3.09Å; A87-D89 VanDerWaalsContact C-N 3.32Å; A87-D89 PolarHBondContact O-N 2.94Å; A87-L90 WeakPolarHBondContact O-CB 3.39Å; A87-L90 PolarHBondContact O-N 3.39Å; A87-F91 PolarHBondContact O-N 3.23Å; A87-A99 VanDerWaalsContact O-CB 3.29Å; A87-A99 WeakPolarHBondContact O-CB 3.49Å; A87-R102 HydrophobicContact CB-CG 4.42Å; A87-L103 HydrophobicContact CB-CD1 3.95Å; A87-L103 HydrophobicContact CB-CD2 3.65Å; A87-L103 HydrophobicContact CB-CG 3.56Å
88	L	96	Very high	95.5	Very high	32 Å²	32	37.5 Å²	37.5	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-43.4	173.4	177.6	61.5	0	0	0	110.8	C84 M85 L90 F91 L92 F279 F282	C84-L88 WeakPolarHBondContact O-CB 3.48Å; C84-L88 PolarHBondContact O-N 3.07Å; M85-L88 PolarHBondContact O-N 2.72Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.32Å; L88-F91 WeakPolarHBondContact O-CB 3.45Å; L88-F91 PolarHBondContact O-N 3.45Å; L88-F91 VanDerWaalsContact O-N 3.14Å; L88-L92 HydrophobicContact CD1-CD1 4.2Å; L88-L92 HydrophobicContact CD1-CD2 4.35Å; L88-L92 HydrophobicContact CD1-CG 4.05Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 HydrophobicContact CG-CG 4.28Å; L88-L92 VanDerWaalsContact O-CG 3.27Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.31Å; L88-F279 HydrophobicContact CB-CE2 4.4Å; L88-F279 HydrophobicContact CD2-CD2 4.4Å; L88-F279 HydrophobicContact CD2-CE2 4.33Å; L88-F282 HydrophobicContact CD1-CD1 4.08Å; L88-F282 HydrophobicContact CD1-CE1 4.35Å; L88-F282 HydrophobicContact CD2-CB 4.26Å; L88-F282 HydrophobicContact CD2-CD1 4.44Å
89	D	96.5	Very high	95.8	Very high	37 Å²	37	36.8 Å²	36.8	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-40.4	178.1	-169.2	81.5	0	0	0	112.6	M85 A86 A87 L92 R93 K319 Y320	M85-D89 WeakPolarHBondContact O-CB 3.49Å; M85-D89 PolarHBondContact O-N 3.17Å; A86-D89 PolarHBondContact O-N 3.37Å; A87-D89 VanDerWaalsContact C-N 3.32Å; A87-D89 PolarHBondContact O-N 2.94Å; D89-L92 PolarHBondContact O-N 3.28Å; D89-R93 WeakPolarHBondContact O-CG 3.39Å; D89-R93 PolarHBondContact O-N 3.13Å; D89-R93 VanDerWaalsContact O-N 3.13Å; D89-R93 PolarHBondContact O-NE 3.11Å; D89-R93 IonicContact OD2-CZ 2.82Å; D89-R93 IonicContact OD2-NE 2.97Å; D89-R93 PolarHBondContact OD2-NE 2.83Å; D89-R93 IonicContact OD2-NH2 2.85Å; D89-R93 PolarHBondContact OD2-NH2 2.92Å; D89-K319 IonicContact OD1-NZ 3.16Å; D89-K319 PolarHBondContact OD1-NZ 2.98Å; D89-Y320 VanDerWaalsContact OD1-CE1 3.26Å; D89-Y320 WeakPolarHBondContact OD1-CE1 3.48Å; D89-Y320 PolarHBondContact OD1-OH 3.43Å
90	L	97.5	Very high	95.9	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.12	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-48.4	170.9	-69.6	168.4	0	0	0	111.3	A86 A87 L88 L92 R93 N94 E95 E98 A99	A86-L90 WeakPolarHBondContact O-CG 3.47Å; A86-L90 PolarHBondContact O-N 2.89Å; A86-L90 VanDerWaalsContact O-N 3.07Å; A87-L90 WeakPolarHBondContact O-CB 3.39Å; A87-L90 PolarHBondContact O-N 3.39Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.32Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.16Å; L90-R93 CarbonylContact O-C 3.6Å; L90-R93 WeakPolarHBondContact O-CA 3.24Å; L90-R93 WeakPolarHBondContact O-CB 3.47Å; L90-R93 PolarHBondContact O-N 2.94Å; L90-N94 PolarHBondContact O-N 3.28Å; L90-E95 HydrophobicContact CB-CB 4.12Å; L90-E95 HydrophobicContact CD2-CB 4.15Å; L90-E95 WeakPolarHBondContact CD2-OE2 3.34Å; L90-E95 WeakPolarHBondContact O-CB 3.45Å; L90-E95 PolarHBondContact O-N 3.19Å; L90-E98 HydrophobicContact CD1-CB 4.26Å; L90-A99 HydrophobicContact CB-CB 3.92Å
91	F	96.5	Very high	96	Very high	9 Å²	9	38 Å²	38	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-43.2	178.6	-175	-88.9	0	0	0	111.9	A87 L88 R93 N94 F96 A99 I120 M123 I325 W357	A87-F91 PolarHBondContact O-N 3.23Å; L88-F91 WeakPolarHBondContact O-CB 3.45Å; L88-F91 PolarHBondContact O-N 3.45Å; L88-F91 VanDerWaalsContact O-N 3.14Å; F91-R93 PolarHBondContact O-N 3.04Å; F91-N94 PolarHBondContact O-N 3.02Å; F91-F96 HydrophobicContact CD1-CE1 4.46Å; F91-F96 AromaticContact CD2-CD1 3.5Å; F91-F96 HydrophobicContact CD2-CD1 3.5Å; F91-F96 VanDerWaalsContact CD2-CD1 3.5Å; F91-F96 HydrophobicContact CD2-CE1 4.12Å; F91-F96 HydrophobicContact CE1-CE1 4.29Å; F91-F96 AromaticContact CE2-CD1 3.48Å; F91-F96 HydrophobicContact CE2-CD1 3.48Å; F91-F96 VanDerWaalsContact CE2-CD1 3.48Å; F91-F96 AromaticContact CE2-CE1 3.91Å; F91-F96 HydrophobicContact CE2-CE1 3.91Å; F91-F96 HydrophobicContact CE2-CG 4.49Å; F91-F96 HydrophobicContact CG-CD1 4.06Å; F91-F96 HydrophobicContact CG-CE1 4.36Å; F91-F96 HydrophobicContact CZ-CD1 4.06Å; F91-F96 AromaticContact CZ-CE1 3.99Å; F91-F96 HydrophobicContact CZ-CE1 3.99Å; F91-F96 WeakPolarHBondContact O-CE1 3.47Å; F91-A99 HydrophobicContact CB-CB 3.96Å; F91-I120 HydrophobicContact CD2-CD1 3.99Å; F91-I120 HydrophobicContact CD2-CG1 4.25Å; F91-I120 HydrophobicContact CD2-CG2 4.37Å; F91-I120 HydrophobicContact CE2-CD1 4.49Å; F91-I120 HydrophobicContact CE2-CG1 4.29Å; F91-I120 HydrophobicContact CE2-CG2 3.97Å; F91-M123 HydrophobicContact CE1-CE 4.37Å; F91-M123 HydrophobicContact CE1-SD 4.09Å; F91-M123 HydrophobicContact CZ-CE 4.08Å; F91-M123 HydrophobicContact CZ-SD 3.69Å; F91-I325 HydrophobicContact CE1-CD1 3.96Å; F91-W357 HydrophobicContact CE2-CH2 4.09Å; F91-W357 HydrophobicContact CE2-CZ2 4.16Å; F91-W357 HydrophobicContact CZ-CH2 4.32Å; F91-W357 HydrophobicContact CZ-CZ3 4.48Å
92	L	95.6	Very high	96.1	Very high	5 Å²	5	43 Å²	43	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-69.5	-19.4	178.3	-65.5	-178.6	0	0	0	113.5	L88 D89 L90 N94 F282 Y320 G323 I325 F326	L88-L92 HydrophobicContact CD1-CD1 4.2Å; L88-L92 HydrophobicContact CD1-CD2 4.35Å; L88-L92 HydrophobicContact CD1-CG 4.05Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 HydrophobicContact CG-CG 4.28Å; L88-L92 VanDerWaalsContact O-CG 3.27Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.31Å; D89-L92 PolarHBondContact O-N 3.28Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.16Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-F282 HydrophobicContact CD1-CD2 4.04Å; L92-F282 HydrophobicContact CD1-CE2 4.26Å; L92-F282 HydrophobicContact CD1-CG 4.38Å; L92-F282 HydrophobicContact CD2-CD2 4.09Å; L92-F282 HydrophobicContact CD2-CE1 4.06Å; L92-F282 HydrophobicContact CD2-CE2 3.47Å; L92-F282 VanDerWaalsContact CD2-CE2 3.47Å; L92-F282 HydrophobicContact CD2-CZ 3.46Å; L92-F282 VanDerWaalsContact CD2-CZ 3.46Å; L92-Y320 HydrophobicContact CB-CD1 4Å; L92-Y320 HydrophobicContact CB-CD2 4.33Å; L92-Y320 HydrophobicContact CB-CE1 3.8Å; L92-Y320 HydrophobicContact CB-CE2 4.12Å; L92-Y320 HydrophobicContact CB-CG 4.26Å; L92-Y320 HydrophobicContact CD1-CE2 3.76Å; L92-G323 WeakPolarHBondContact O-CA 3.37Å; L92-I325 HydrophobicContact CD2-CD1 4.08Å; L92-F326 HydrophobicContact CB-CE2 4.15Å; L92-F326 HydrophobicContact CD1-CZ 4.2Å; L92-F326 HydrophobicContact CD2-CE2 4.13Å; L92-F326 HydrophobicContact CD2-CZ 3.85Å; L92-F326 HydrophobicContact CG-CZ 4.4Å
93	R	96.6	Very high	96.2	Very high	106 Å²	106	39.1 Å²	39.1	40%	0.4	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.9	170.2	-73.6	-174	-87.2	134.2	-10.2	113.9	D89 L90 F91 E95 Y320	D89-R93 WeakPolarHBondContact O-CG 3.39Å; D89-R93 PolarHBondContact O-N 3.13Å; D89-R93 VanDerWaalsContact O-N 3.13Å; D89-R93 PolarHBondContact O-NE 3.11Å; D89-R93 IonicContact OD2-CZ 2.82Å; D89-R93 IonicContact OD2-NE 2.97Å; D89-R93 PolarHBondContact OD2-NE 2.83Å; D89-R93 IonicContact OD2-NH2 2.85Å; D89-R93 PolarHBondContact OD2-NH2 2.92Å; L90-R93 CarbonylContact O-C 3.6Å; L90-R93 WeakPolarHBondContact O-CA 3.24Å; L90-R93 WeakPolarHBondContact O-CB 3.47Å; L90-R93 PolarHBondContact O-N 2.94Å; F91-R93 PolarHBondContact O-N 3.04Å; R93-E95 VanDerWaalsContact C-N 3.28Å; R93-E95 HydrophobicContact CB-CG 4.5Å; R93-E95 IonicContact CZ-OE1 3.88Å; R93-E95 IonicContact NH1-OE1 2.76Å; R93-E95 PolarHBondContact NH1-OE1 3.49Å; R93-E95 IonicContact NH1-OE2 3.93Å; R93-Y320 HydrophobicContact CG-CD1 3.73Å; R93-Y320 HydrophobicContact CG-CE1 4.01Å
94	N	96.9	Very high	96.1	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.091	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	16.1	-172	-43.1	-48.6	0	0	0	115	L90 F91 L92 F96 K322 S324 Q354	L90-N94 PolarHBondContact O-N 3.28Å; F91-N94 PolarHBondContact O-N 3.02Å; L92-N94 VanDerWaalsContact C-N 3.32Å; N94-F96 HydrophobicContact CB-CE1 4.47Å; N94-F96 HydrophobicContact CB-CE2 3.93Å; N94-F96 HydrophobicContact CB-CZ 3.86Å; N94-F96 WeakPolarHBondContact O-CD2 3.37Å; N94-F96 PolarHBondContact O-N 2.94Å; N94-F96 VanDerWaalsContact O-N 3.09Å; N94-K322 PolarHBondContact ND2-O 3.39Å; N94-S324 PolarHBondContact ND2-OG 3.41Å; N94-S324 WeakPolarHBondContact OD1-CB 3.42Å; N94-S324 PolarHBondContact OD1-N 3.33Å; N94-S324 PolarHBondContact OD1-OG 3.38Å; N94-Q354 HydrophobicContact CB-CB 3.9Å; N94-Q354 HydrophobicContact CB-CG 4.32Å
95	E	96.9	Very high	95.9	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	24%	0.239	S	C	.	.			trans	-85.9	63.6	173.3	-65.3	173.1	-123.6	0	0	109.2	L90 R93 E97 E98 A99	L90-E95 HydrophobicContact CB-CB 4.12Å; L90-E95 HydrophobicContact CD2-CB 4.15Å; L90-E95 WeakPolarHBondContact CD2-OE2 3.34Å; L90-E95 WeakPolarHBondContact O-CB 3.45Å; L90-E95 PolarHBondContact O-N 3.19Å; R93-E95 VanDerWaalsContact C-N 3.28Å; R93-E95 HydrophobicContact CB-CG 4.5Å; R93-E95 IonicContact CZ-OE1 3.88Å; R93-E95 IonicContact NH1-OE1 2.76Å; R93-E95 PolarHBondContact NH1-OE1 3.49Å; R93-E95 IonicContact NH1-OE2 3.93Å; E95-E97 PolarHBondContact O-N 3.12Å; E95-E98 HydrophobicContact CB-CB 4.38Å; E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 2.9Å
96	F	95.6	Very high	95.7	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-37	-166	-57.3	-57.2	0	0	0	113.5	F91 N94 Q100 Q354 Q356 W357 F360	F91-F96 HydrophobicContact CD1-CE1 4.46Å; F91-F96 AromaticContact CD2-CD1 3.5Å; F91-F96 HydrophobicContact CD2-CD1 3.5Å; F91-F96 VanDerWaalsContact CD2-CD1 3.5Å; F91-F96 HydrophobicContact CD2-CE1 4.12Å; F91-F96 HydrophobicContact CE1-CE1 4.29Å; F91-F96 AromaticContact CE2-CD1 3.48Å; F91-F96 HydrophobicContact CE2-CD1 3.48Å; F91-F96 VanDerWaalsContact CE2-CD1 3.48Å; F91-F96 AromaticContact CE2-CE1 3.91Å; F91-F96 HydrophobicContact CE2-CE1 3.91Å; F91-F96 HydrophobicContact CE2-CG 4.49Å; F91-F96 HydrophobicContact CG-CD1 4.06Å; F91-F96 HydrophobicContact CG-CE1 4.36Å; F91-F96 HydrophobicContact CZ-CD1 4.06Å; F91-F96 AromaticContact CZ-CE1 3.99Å; F91-F96 HydrophobicContact CZ-CE1 3.99Å; F91-F96 WeakPolarHBondContact O-CE1 3.47Å; N94-F96 HydrophobicContact CB-CE1 4.47Å; N94-F96 HydrophobicContact CB-CE2 3.93Å; N94-F96 HydrophobicContact CB-CZ 3.86Å; N94-F96 WeakPolarHBondContact O-CD2 3.37Å; N94-F96 PolarHBondContact O-N 2.94Å; N94-F96 VanDerWaalsContact O-N 3.09Å; F96-Q100 WeakPolarHBondContact O-CG 3.48Å; F96-Q100 PolarHBondContact O-N 3.34Å; F96-Q100 VanDerWaalsContact O-N 3.09Å; F96-Q354 HydrophobicContact CE2-CB 4.31Å; F96-Q354 HydrophobicContact CE2-CG 3.98Å; F96-Q354 HydrophobicContact CZ-CG 4.43Å; F96-Q356 HydrophobicContact CD2-CB 4.16Å; F96-W357 HydrophobicContact CD2-CB 4.38Å; F96-W357 AromaticContact CD2-CD1 3.37Å; F96-W357 AromaticContact CD2-CG 3.9Å; F96-W357 HydrophobicContact CD2-CG 3.9Å; F96-W357 AromaticContact CD2-NE1 3.78Å; F96-W357 HydrophobicContact CE2-CB 4.04Å; F96-W357 AromaticContact CE2-CD1 3.9Å; F96-W357 AromaticContact CE2-CG 3.98Å; F96-W357 HydrophobicContact CE2-CG 3.98Å; F96-W357 AromaticContact CG-CD1 3.8Å; F96-W357 HydrophobicContact CG-CG 4.39Å; F96-W357 AromaticContact CG-NE1 3.7Å; F96-F360 HydrophobicContact CE1-CE2 4.14Å; F96-F360 HydrophobicContact CE2-CE2 4.47Å; F96-F360 HydrophobicContact CZ-CD2 4.2Å; F96-F360 AromaticContact CZ-CE2 3.7Å; F96-F360 HydrophobicContact CZ-CE2 3.7Å
97	E	95.1	Very high	95.5	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-73.9	-42.4	-177.3	-73.8	153.7	-170.8	0	0	110.7	E95 Q100 A101 Q356	E95-E97 PolarHBondContact O-N 3.12Å; E97-Q100 PolarHBondContact O-N 3.43Å; E97-A101 WeakPolarHBondContact O-CB 3.26Å; E97-A101 PolarHBondContact O-N 2.99Å; E97-Q356 VanDerWaalsContact OE1-CD 3.32Å; E97-Q356 PolarHBondContact OE1-NE2 3.02Å; E97-Q356 PolarHBondContact OE2-NE2 3.02Å
98	E	96.2	Very high	95.2	Very high	92 Å²	92	54 Å²	54	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-43.9	174.1	-65	79.1	-174.6	0	0	111.3	L90 E95 Q100 A101 R102	L90-E98 HydrophobicContact CD1-CB 4.26Å; E95-E98 HydrophobicContact CB-CB 4.38Å; E98-Q100 PolarHBondContact O-N 3.03Å; E98-A101 PolarHBondContact O-N 3.49Å; E98-R102 VanDerWaalsContact O-CB 3.3Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.27Å
99	A	96.9	Very high	94.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-47.6	174.8	0	0	0	0	0	111.7	A87 L90 F91 E95 L103	A87-A99 VanDerWaalsContact O-CB 3.29Å; A87-A99 WeakPolarHBondContact O-CB 3.49Å; L90-A99 HydrophobicContact CB-CB 3.92Å; F91-A99 HydrophobicContact CB-CB 3.96Å; E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 2.9Å; A99-L103 WeakPolarHBondContact O-CD1 3.2Å; A99-L103 VanDerWaalsContact O-CG 3.3Å; A99-L103 WeakPolarHBondContact O-CG 3.5Å; A99-L103 PolarHBondContact O-N 3.14Å; A99-L103 VanDerWaalsContact O-N 3.16Å
100	Q	96.1	Very high	94.8	Very high	35 Å²	35	58.4 Å²	58.4	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-45	179	-76.5	175.2	40.7	0	0	112.5	F96 E97 E98 R102 L103 L104 Y117 I120	F96-Q100 WeakPolarHBondContact O-CG 3.48Å; F96-Q100 PolarHBondContact O-N 3.34Å; F96-Q100 VanDerWaalsContact O-N 3.09Å; E97-Q100 PolarHBondContact O-N 3.43Å; E98-Q100 PolarHBondContact O-N 3.03Å; Q100-R102 VanDerWaalsContact C-N 3.31Å; Q100-R102 PolarHBondContact O-N 3.35Å; Q100-L103 PolarHBondContact O-N 3.14Å; Q100-L104 VanDerWaalsContact O-CB 3.28Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 PolarHBondContact O-N 2.93Å; Q100-Y117 HydrophobicContact CB-CE2 4.21Å; Q100-Y117 HydrophobicContact CG-CE2 4.44Å; Q100-I120 HydrophobicContact CG-CG2 3.83Å
101	A	96.1	Very high	94.6	Very high	63 Å²	63	57.6 Å²	57.6	52%	0.521	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-42.1	179.4	0	0	0	0	0	111.5	E97 E98 L103 L104 S105	E97-A101 WeakPolarHBondContact O-CB 3.26Å; E97-A101 PolarHBondContact O-N 2.99Å; E98-A101 PolarHBondContact O-N 3.49Å; A101-L103 PolarHBondContact O-N 3.5Å; A101-L104 PolarHBondContact O-N 2.9Å; A101-S105 PolarHBondContact O-N 3.4Å
102	R	95.4	Very high	94.6	Very high	105 Å²	105	57.1 Å²	57.1	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-49.3	175.1	-174.3	173.7	-174	116.9	5.9	111.3	D83 A87 E98 Q100 S105	D83-R102 PolarHBondContact O-NE 2.83Å; D83-R102 IonicContact OD1-CZ 3.63Å; D83-R102 IonicContact OD1-NE 3.95Å; D83-R102 PolarHBondContact OD1-NE 2.91Å; D83-R102 IonicContact OD1-NH2 3.34Å; D83-R102 PolarHBondContact OD1-NH2 3.48Å; A87-R102 HydrophobicContact CB-CG 4.42Å; E98-R102 VanDerWaalsContact O-CB 3.3Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 3.27Å; Q100-R102 VanDerWaalsContact C-N 3.31Å; Q100-R102 PolarHBondContact O-N 3.35Å; R102-S105 PolarHBondContact O-OG 3.24Å
103	L	96.4	Very high	94.6	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-40.6	-178.6	-67.8	165.7	0	0	0	113.2	C84 A87 A99 Q100 A101 S105 K106 S107 T116 Y117 I120	C84-L103 HydrophobicContact CB-CD2 4.44Å; A87-L103 HydrophobicContact CB-CD1 3.95Å; A87-L103 HydrophobicContact CB-CD2 3.65Å; A87-L103 HydrophobicContact CB-CG 3.56Å; A99-L103 WeakPolarHBondContact O-CD1 3.2Å; A99-L103 VanDerWaalsContact O-CG 3.3Å; A99-L103 WeakPolarHBondContact O-CG 3.5Å; A99-L103 PolarHBondContact O-N 3.14Å; A99-L103 VanDerWaalsContact O-N 3.16Å; Q100-L103 PolarHBondContact O-N 3.14Å; A101-L103 PolarHBondContact O-N 3.5Å; L103-S105 PolarHBondContact O-N 3.21Å; L103-K106 PolarHBondContact O-N 3.08Å; L103-S107 PolarHBondContact O-N 3.41Å; L103-T116 HydrophobicContact CD1-CG2 3.64Å; L103-T116 HydrophobicContact CD2-CG2 3.91Å; L103-T116 HydrophobicContact CG-CG2 4.45Å; L103-Y117 HydrophobicContact CB-CD2 4.13Å; L103-Y117 HydrophobicContact CB-CG 4.48Å; L103-I120 HydrophobicContact CD1-CD1 3.49Å; L103-I120 VanDerWaalsContact CD1-CD1 3.49Å
104	L	94.1	Very high	94.7	Very high	88 Å²	88	52.1 Å²	52.1	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-34	-177.5	-179.7	59.5	0	0	0	112.2	Q100 A101 K106 S107 Y117	Q100-L104 VanDerWaalsContact O-CB 3.28Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 PolarHBondContact O-N 2.93Å; A101-L104 PolarHBondContact O-N 2.9Å; L104-K106 PolarHBondContact O-N 3.47Å; L104-K106 VanDerWaalsContact O-N 3.16Å; L104-S107 PolarHBondContact O-N 3.05Å; L104-S107 PolarHBondContact O-OG 2.93Å; L104-S107 VanDerWaalsContact O-OG 3.1Å; L104-Y117 HydrophobicContact CB-CD2 4.33Å; L104-Y117 HydrophobicContact CB-CE2 4.02Å; L104-Y117 HydrophobicContact CD1-CD1 4.45Å; L104-Y117 HydrophobicContact CD1-CE1 3.85Å; L104-Y117 HydrophobicContact CD1-CE2 4.32Å
105	S	91.4	Very high	94.7	Very high	83 Å²	83	51.4 Å²	51.4	58%	0.58	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.8	-177.9	71.2	0	0	0	0	114.2	A101 R102 L103	A101-S105 PolarHBondContact O-N 3.4Å; R102-S105 PolarHBondContact O-OG 3.24Å; L103-S105 PolarHBondContact O-N 3.21Å
106	K	91.6	Very high	94.6	Very high	74 Å²	74	48.7 Å²	48.7	32%	0.322	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	9.9	-176.6	-67	177.1	-177.3	169.2	0	113.6	D83 L103 L104 K108 E109 S110 H113	D83-K106 IonicContact OD2-NZ 3.15Å; D83-K106 PolarHBondContact OD2-NZ 3.16Å; L103-K106 PolarHBondContact O-N 3.08Å; L104-K106 PolarHBondContact O-N 3.47Å; L104-K106 VanDerWaalsContact O-N 3.16Å; K106-K108 PolarHBondContact O-N 3.38Å; K106-K108 VanDerWaalsContact O-N 3.09Å; K106-E109 PolarHBondContact O-N 2.66Å; K106-S110 PolarHBondContact O-N 2.94Å; K106-H113 HydrophobicContact CB-CB 4.13Å
107	S	91.2	Very high	94.7	Very high	22 Å²	22	50.4 Å²	50.4	15%	0.154	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.6	-174.6	66.7	0	0	0	0	114.3	L103 L104 A114	L103-S107 PolarHBondContact O-N 3.41Å; L104-S107 PolarHBondContact O-N 3.05Å; L104-S107 PolarHBondContact O-OG 2.93Å; L104-S107 VanDerWaalsContact O-OG 3.1Å; S107-A114 WeakPolarHBondContact O-CB 3.47Å
108	K	91.3	Very high	94.8	Very high	165 Å²	165	45.1 Å²	45.1	72%	0.717	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.9	176.7	-63.8	-175.2	179.9	179.5	0	114	K106	K106-K108 PolarHBondContact O-N 3.38Å; K106-K108 VanDerWaalsContact O-N 3.09Å
109	E	88.8	Confident	94.8	Very high	140 Å²	140	42.6 Å²	42.6	65%	0.654	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-29.8	-168.9	-64.5	177.1	-170.3	0	0	112.2	K106 Y151	K106-E109 PolarHBondContact O-N 2.66Å; E109-Y151 PolarHBondContact O-OH 3.16Å
110	S	93.7	Very high	94.8	Very high	20 Å²	20	43.2 Å²	43.2	14%	0.14	22%	0.224	C	C	.	.			trans	-119.6	128.7	-176.7	171.6	0	0	0	0	112.1	A80 K106 Y112 H113 A114	A80-S110 WeakPolarHBondContact CB-OG 3.31Å; K106-S110 PolarHBondContact O-N 2.94Å; S110-Y112 VanDerWaalsContact C-N 3.27Å; S110-Y112 PolarHBondContact O-N 2.88Å; S110-H113 WeakPolarHBondContact CB-ND1 3.39Å; S110-H113 PolarHBondContact O-N 2.89Å; S110-H113 PolarHBondContact OG-ND1 3.39Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.09Å
111	M	94.3	Very high	94.8	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-38.4	179.5	70.9	-179.2	92	0	0	112.8	L115 Y151 E164 H167 A168	M111-L115 VanDerWaalsContact O-CB 3.27Å; M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 2.79Å; M111-Y151 HydrophobicContact CE-CD1 4.03Å; M111-Y151 HydrophobicContact CE-CD2 4.21Å; M111-Y151 HydrophobicContact CE-CG 3.77Å; M111-E164 HydrophobicContact CE-CG 3.61Å; M111-H167 HydrophobicContact SD-CB 4.28Å; M111-A168 HydrophobicContact CE-CB 4.28Å; M111-A168 HydrophobicContact SD-CB 3.96Å
112	Y	95.6	Very high	94.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72.1	-42.3	179.8	-87.6	-83.7	0	0	0	112.2	L77 L81 C84 S110 T116 H167 F279 R280	L77-Y112 HydrophobicContact CD1-CD2 3.87Å; L77-Y112 HydrophobicContact CD1-CE2 3.72Å; L81-Y112 HydrophobicContact CD2-CD1 3.63Å; L81-Y112 HydrophobicContact CD2-CD2 4.07Å; L81-Y112 HydrophobicContact CD2-CE1 3.38Å; L81-Y112 HydrophobicContact CD2-CE2 3.87Å; L81-Y112 HydrophobicContact CD2-CG 3.97Å; L81-Y112 HydrophobicContact CG-CD2 4.24Å; L81-Y112 HydrophobicContact CG-CE1 4.5Å; L81-Y112 HydrophobicContact CG-CE2 4.2Å; L81-Y112 HydrophobicContact CG-CG 4.44Å; C84-Y112 VanDerWaalsContact SG-C 3.59Å; S110-Y112 VanDerWaalsContact C-N 3.27Å; S110-Y112 PolarHBondContact O-N 2.88Å; Y112-T116 VanDerWaalsContact O-CB 3.26Å; Y112-T116 WeakPolarHBondContact O-CB 3.09Å; Y112-T116 PolarHBondContact O-N 3.09Å; Y112-T116 PolarHBondContact O-OG1 2.75Å; Y112-H167 HydrophobicContact CE2-CB 4.04Å; Y112-H167 AromaticContact CE2-ND1 3.46Å; Y112-H167 WeakPolarHBondContact CE2-ND1 3.34Å; Y112-H167 AromaticContact CZ-ND1 3.55Å; Y112-H167 PolarHBondContact OH-ND1 2.87Å; Y112-F279 HydrophobicContact CD1-CD1 4.3Å; Y112-F279 HydrophobicContact CD1-CE1 4.4Å; Y112-F279 HydrophobicContact CE1-CD1 4.16Å; Y112-R280 PolarHBondContact OH-NH1 3.32Å
113	H	97.1	Very high	94.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.2	-70.3	83.8	0	0	0	111.1	D83 K106 S110 Y117	D83-H113 IonicContact OD2-CE1 2.69Å; D83-H113 IonicContact OD2-NE2 3.81Å; D83-H113 PolarHBondContact OD2-NE2 3.46Å; D83-H113 VanDerWaalsContact OD2-NE2 3.15Å; K106-H113 HydrophobicContact CB-CB 4.13Å; S110-H113 WeakPolarHBondContact CB-ND1 3.39Å; S110-H113 PolarHBondContact O-N 2.89Å; S110-H113 PolarHBondContact OG-ND1 3.39Å; H113-Y117 WeakPolarHBondContact O-CB 3.22Å; H113-Y117 PolarHBondContact O-N 3.06Å
114	A	97.1	Very high	94.5	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-52	178.2	0	0	0	0	0	111.6	S107 S110 A118 A144 L147	S107-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.09Å; A114-A118 VanDerWaalsContact O-CB 3.23Å; A114-A118 WeakPolarHBondContact O-CB 2.87Å; A114-A118 PolarHBondContact O-N 3.38Å; A114-A144 HydrophobicContact CB-CB 3.87Å; A114-L147 HydrophobicContact CB-CD2 3.71Å
115	L	96.9	Very high	94.4	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-51.5	178.7	171.9	66.1	0	0	0	111.2	M111 Y117 A118 T119 M141 C171 E174	M111-L115 VanDerWaalsContact O-CB 3.27Å; M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 2.79Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; L115-Y117 PolarHBondContact O-N 3.02Å; L115-A118 CarbonylContact O-C 3.54Å; L115-A118 PolarHBondContact O-N 2.89Å; L115-A118 VanDerWaalsContact O-N 3.15Å; L115-T119 WeakPolarHBondContact O-CB 3.4Å; L115-T119 PolarHBondContact O-N 3.4Å; L115-T119 PolarHBondContact O-OG1 3.39Å; L115-M141 HydrophobicContact CD1-SD 4.48Å; L115-C171 HydrophobicContact CD2-CB 3.89Å; L115-E174 HydrophobicContact CD1-CB 4.24Å; L115-E174 HydrophobicContact CD2-CB 4.46Å; L115-E174 WeakPolarHBondContact CD2-OE2 3.31Å
116	T	96.7	Very high	94.4	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-44	-175.7	-51.6	0	0	0	0	111.2	L103 Y112 T119 I120 F279	L103-T116 HydrophobicContact CD1-CG2 3.64Å; L103-T116 HydrophobicContact CD2-CG2 3.91Å; L103-T116 HydrophobicContact CG-CG2 4.45Å; Y112-T116 VanDerWaalsContact O-CB 3.26Å; Y112-T116 WeakPolarHBondContact O-CB 3.09Å; Y112-T116 PolarHBondContact O-N 3.09Å; Y112-T116 PolarHBondContact O-OG1 2.75Å; T116-T119 PolarHBondContact O-N 2.74Å; T116-I120 WeakPolarHBondContact O-CG1 3.5Å; T116-I120 PolarHBondContact O-N 3.4Å; T116-F279 HydrophobicContact CG2-CE2 4.28Å; T116-F279 HydrophobicContact CG2-CZ 3.83Å; T116-F279 WeakPolarHBondContact OG1-CZ 3.38Å
117	Y	97.6	Very high	94.3	Very high	36 Å²	36	33.4 Å²	33.4	14%	0.141	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-47.4	174.7	-176.6	-110.9	0	0	0	111.4	Q100 L103 L104 H113 L115 T119 I120 L121 T140	Q100-Y117 HydrophobicContact CB-CE2 4.21Å; Q100-Y117 HydrophobicContact CG-CE2 4.44Å; L103-Y117 HydrophobicContact CB-CD2 4.13Å; L103-Y117 HydrophobicContact CB-CG 4.48Å; L104-Y117 HydrophobicContact CB-CD2 4.33Å; L104-Y117 HydrophobicContact CB-CE2 4.02Å; L104-Y117 HydrophobicContact CD1-CD1 4.45Å; L104-Y117 HydrophobicContact CD1-CE1 3.85Å; L104-Y117 HydrophobicContact CD1-CE2 4.32Å; H113-Y117 WeakPolarHBondContact O-CB 3.22Å; H113-Y117 PolarHBondContact O-N 3.06Å; L115-Y117 VanDerWaalsContact C-N 3.35Å; L115-Y117 PolarHBondContact O-N 3.02Å; Y117-T119 VanDerWaalsContact C-N 3.33Å; Y117-T119 PolarHBondContact O-N 2.93Å; Y117-I120 PolarHBondContact O-N 3.17Å; Y117-L121 HydrophobicContact CD1-CD1 4.26Å; Y117-L121 HydrophobicContact CE1-CD1 3.59Å; Y117-L121 HydrophobicContact CE1-CG 4.19Å; Y117-L121 PolarHBondContact O-N 3.24Å; Y117-L121 VanDerWaalsContact O-N 3.08Å; Y117-T140 HydrophobicContact CD1-CG2 3.77Å; Y117-T140 HydrophobicContact CE1-CG2 3.96Å
118	A	97.4	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-39.6	178.6	0	0	0	0	0	112.1	A114 L115 L121 E122 T140 M141 A144	A114-A118 VanDerWaalsContact O-CB 3.23Å; A114-A118 WeakPolarHBondContact O-CB 2.87Å; A114-A118 PolarHBondContact O-N 3.38Å; L115-A118 CarbonylContact O-C 3.54Å; L115-A118 PolarHBondContact O-N 2.89Å; L115-A118 VanDerWaalsContact O-N 3.15Å; A118-L121 PolarHBondContact O-N 3.29Å; A118-E122 WeakPolarHBondContact O-CB 3.44Å; A118-E122 PolarHBondContact O-N 3.49Å; A118-T140 HydrophobicContact CB-CG2 3.92Å; A118-M141 HydrophobicContact CB-CB 4.43Å; A118-M141 HydrophobicContact CB-CE 3.41Å; A118-M141 VanDerWaalsContact CB-CE 3.41Å; A118-M141 HydrophobicContact CB-SD 3.73Å; A118-M141 WeakPolarHBondContact O-CE 3.38Å; A118-A144 HydrophobicContact CB-CB 4.09Å
119	T	96.2	Very high	94.1	Very high	39 Å²	39	26.8 Å²	26.8	24%	0.239	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-40.2	176.1	-62.6	0	0	0	0	111.8	L115 T116 Y117 E122 M123 Q178	L115-T119 WeakPolarHBondContact O-CB 3.4Å; L115-T119 PolarHBondContact O-N 3.4Å; L115-T119 PolarHBondContact O-OG1 3.39Å; T116-T119 PolarHBondContact O-N 2.74Å; Y117-T119 VanDerWaalsContact C-N 3.33Å; Y117-T119 PolarHBondContact O-N 2.93Å; T119-E122 PolarHBondContact O-N 3.22Å; T119-M123 WeakPolarHBondContact O-CB 3.42Å; T119-M123 PolarHBondContact O-N 3.38Å; T119-Q178 VanDerWaalsContact CG2-NE2 3.3Å; T119-Q178 PolarHBondContact OG1-NE2 3.02Å; T119-Q178 PolarHBondContact OG1-OE1 3.37Å
120	I	95.4	Very high	94	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.067	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-42.6	175.1	-69.4	172.7	0	0	0	110.8	F91 Q100 L103 T116 Y117 E122 M123 K124 W357	F91-I120 HydrophobicContact CD2-CD1 3.99Å; F91-I120 HydrophobicContact CD2-CG1 4.25Å; F91-I120 HydrophobicContact CD2-CG2 4.37Å; F91-I120 HydrophobicContact CE2-CD1 4.49Å; F91-I120 HydrophobicContact CE2-CG1 4.29Å; F91-I120 HydrophobicContact CE2-CG2 3.97Å; Q100-I120 HydrophobicContact CG-CG2 3.83Å; L103-I120 HydrophobicContact CD1-CD1 3.49Å; L103-I120 VanDerWaalsContact CD1-CD1 3.49Å; T116-I120 WeakPolarHBondContact O-CG1 3.5Å; T116-I120 PolarHBondContact O-N 3.4Å; Y117-I120 PolarHBondContact O-N 3.17Å; I120-E122 VanDerWaalsContact C-N 3.35Å; I120-M123 PolarHBondContact O-N 3.49Å; I120-K124 PolarHBondContact O-N 3.01Å; I120-W357 HydrophobicContact CG2-CH2 4.18Å; I120-W357 HydrophobicContact CG2-CZ2 4.17Å
121	L	95.8	Very high	93.8	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-37.8	176.3	-66.5	-168.4	0	0	0	112.3	Y117 A118 K124 A125 A137 T140	Y117-L121 HydrophobicContact CD1-CD1 4.26Å; Y117-L121 HydrophobicContact CE1-CD1 3.59Å; Y117-L121 HydrophobicContact CE1-CG 4.19Å; Y117-L121 PolarHBondContact O-N 3.24Å; Y117-L121 VanDerWaalsContact O-N 3.08Å; A118-L121 PolarHBondContact O-N 3.29Å; L121-K124 WeakPolarHBondContact O-CB 3.35Å; L121-K124 PolarHBondContact O-N 3Å; L121-A125 WeakPolarHBondContact O-CB 3.46Å; L121-A125 PolarHBondContact O-N 2.87Å; L121-A137 HydrophobicContact CB-CB 4.33Å; L121-T140 HydrophobicContact CD1-CG2 4.07Å
122	E	95.6	Very high	93.7	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-44.9	172.6	-179.3	-177.8	-166.3	0	0	111.4	A118 T119 I120 K124 A125 M126 A137 M141 Q178 L182	A118-E122 WeakPolarHBondContact O-CB 3.44Å; A118-E122 PolarHBondContact O-N 3.49Å; T119-E122 PolarHBondContact O-N 3.22Å; I120-E122 VanDerWaalsContact C-N 3.35Å; E122-K124 VanDerWaalsContact C-N 3.27Å; E122-K124 PolarHBondContact O-N 3.34Å; E122-A125 WeakPolarHBondContact O-CB 3.49Å; E122-A125 PolarHBondContact O-N 2.89Å; E122-M126 HydrophobicContact CG-CG 4.1Å; E122-M126 WeakPolarHBondContact O-CB 3.24Å; E122-M126 VanDerWaalsContact O-CG 3.26Å; E122-M126 WeakPolarHBondContact O-CG 3.37Å; E122-M126 PolarHBondContact O-N 2.81Å; E122-A137 HydrophobicContact CB-CB 4.35Å; E122-M141 HydrophobicContact CB-CE 4.27Å; E122-M141 WeakPolarHBondContact OE2-CE 3.49Å; E122-Q178 WeakPolarHBondContact OE1-CA 3.31Å; E122-Q178 VanDerWaalsContact OE1-O 3.06Å; E122-Q178 WeakPolarHBondContact OE2-CB 3.41Å; E122-Q178 WeakPolarHBondContact OE2-CG 3.33Å; E122-Q178 PolarHBondContact OE2-OE1 2.8Å; E122-L182 HydrophobicContact CB-CD1 4.42Å; E122-L182 HydrophobicContact CG-CD1 4.06Å; E122-L182 HydrophobicContact CG-CD2 4.09Å; E122-L182 HydrophobicContact CG-CG 4.01Å
123	M	94.2	Very high	93.6	Very high	60 Å²	60	36 Å²	36	30%	0.296	18%	0.183	S	C	.	.	H	α-helix	trans	-56	-45.3	175.2	-176.6	178.9	167.1	0	0	110.7	F91 T119 I120 A125 M126 M127 W357 F360	F91-M123 HydrophobicContact CE1-CE 4.37Å; F91-M123 HydrophobicContact CE1-SD 4.09Å; F91-M123 HydrophobicContact CZ-CE 4.08Å; F91-M123 HydrophobicContact CZ-SD 3.69Å; T119-M123 WeakPolarHBondContact O-CB 3.42Å; T119-M123 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 3.49Å; M123-A125 PolarHBondContact O-N 2.91Å; M123-M126 PolarHBondContact O-N 3.31Å; M123-M127 HydrophobicContact CE-CE 4.43Å; M123-M127 HydrophobicContact CE-SD 3.58Å; M123-M127 VanDerWaalsContact CE-SD 3.58Å; M123-M127 HydrophobicContact CG-CG 4.42Å; M123-M127 HydrophobicContact CG-SD 3.9Å; M123-M127 WeakPolarHBondContact O-CB 3.24Å; M123-M127 WeakPolarHBondContact O-CG 3.47Å; M123-M127 PolarHBondContact O-N 3.18Å; M123-W357 HydrophobicContact CE-CZ3 4.33Å; M123-W357 HydrophobicContact CG-CZ3 4.14Å; M123-W357 HydrophobicContact SD-CZ3 4.4Å; M123-F360 HydrophobicContact CE-CE1 4.05Å; M123-F360 HydrophobicContact CE-CE2 4.36Å; M123-F360 HydrophobicContact CE-CZ 3.48Å; M123-F360 VanDerWaalsContact CE-CZ 3.48Å
124	K	92.3	Very high	93.4	Very high	67 Å²	67	36.4 Å²	36.4	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-58.4	-48.2	173.5	-175.1	177.8	178.5	-176.5	0	111.7	I120 L121 E122 M127 T128 W357	I120-K124 PolarHBondContact O-N 3.01Å; L121-K124 WeakPolarHBondContact O-CB 3.35Å; L121-K124 PolarHBondContact O-N 3Å; E122-K124 VanDerWaalsContact C-N 3.27Å; E122-K124 PolarHBondContact O-N 3.34Å; K124-M127 PolarHBondContact O-N 3.3Å; K124-T128 HydrophobicContact CG-CG2 4.16Å; K124-T128 WeakPolarHBondContact O-CB 3.43Å; K124-T128 WeakPolarHBondContact O-CG2 3.47Å; K124-T128 PolarHBondContact O-N 2.87Å; K124-T128 PolarHBondContact O-OG1 3.03Å; K124-W357 HydrophobicContact CB-CH2 3.68Å; K124-W357 HydrophobicContact CB-CZ2 4.15Å; K124-W357 HydrophobicContact CB-CZ3 4.13Å; K124-W357 HydrophobicContact CG-CH2 4.42Å
125	A	93.1	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-43.9	-179.2	0	0	0	0	0	113.2	L121 E122 M123 F129 H133 I134 A137 L182	L121-A125 WeakPolarHBondContact O-CB 3.46Å; L121-A125 PolarHBondContact O-N 2.87Å; E122-A125 WeakPolarHBondContact O-CB 3.49Å; E122-A125 PolarHBondContact O-N 2.89Å; M123-A125 PolarHBondContact O-N 2.91Å; A125-F129 WeakPolarHBondContact O-CA 3.44Å; A125-F129 PolarHBondContact O-N 3.32Å; A125-H133 HydrophobicContact CB-CB 3.96Å; A125-H133 WeakPolarHBondContact CB-O 3.39Å; A125-I134 HydrophobicContact CB-CG1 4.02Å; A125-A137 HydrophobicContact CB-CB 3.78Å; A125-L182 HydrophobicContact CB-CD2 4.46Å
126	M	90.8	Very high	93.1	Very high	56 Å²	56	44 Å²	44	28%	0.276	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-56.2	173.1	-66.9	-66.3	-67.1	0	0	108.6	E122 M123 T128 F129 L185 W394	E122-M126 HydrophobicContact CG-CG 4.1Å; E122-M126 WeakPolarHBondContact O-CB 3.24Å; E122-M126 VanDerWaalsContact O-CG 3.26Å; E122-M126 WeakPolarHBondContact O-CG 3.37Å; E122-M126 PolarHBondContact O-N 2.81Å; M123-M126 PolarHBondContact O-N 3.31Å; M126-T128 PolarHBondContact O-N 3.37Å; M126-F129 PolarHBondContact O-N 3.39Å; M126-L185 HydrophobicContact CE-CD1 4.09Å; M126-L185 HydrophobicContact SD-CD1 3.25Å; M126-L185 WeakPolarHBondContact SD-CD1 3.39Å; M126-L185 HydrophobicContact SD-CG 4.17Å; M126-W394 HydrophobicContact CE-CH2 4.19Å; M126-W394 HydrophobicContact CE-CZ2 4.45Å; M126-W394 WeakPolarHBondContact O-CZ2 3.44Å; M126-W394 PolarHBondContact O-NE1 2.99Å
127	M	90	Very high	93.1	Very high	26 Å²	26	43.5 Å²	43.5	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-38.7	-175.8	-70.8	179.1	89.9	0	0	113.8	M123 K124 W357 Q359 F360 M363 W394	M123-M127 HydrophobicContact CE-CE 4.43Å; M123-M127 HydrophobicContact CE-SD 3.58Å; M123-M127 VanDerWaalsContact CE-SD 3.58Å; M123-M127 HydrophobicContact CG-CG 4.42Å; M123-M127 HydrophobicContact CG-SD 3.9Å; M123-M127 WeakPolarHBondContact O-CB 3.24Å; M123-M127 WeakPolarHBondContact O-CG 3.47Å; M123-M127 PolarHBondContact O-N 3.18Å; K124-M127 PolarHBondContact O-N 3.3Å; M127-W357 HydrophobicContact SD-CE3 3.88Å; M127-W357 HydrophobicContact SD-CZ3 3.8Å; M127-Q359 HydrophobicContact CB-CB 3.69Å; M127-Q359 HydrophobicContact CB-CG 3.84Å; M127-Q359 HydrophobicContact CE-CB 3.66Å; M127-Q359 HydrophobicContact CG-CB 4.44Å; M127-Q359 HydrophobicContact SD-CB 4.36Å; M127-F360 HydrophobicContact CE-CD1 3.98Å; M127-F360 HydrophobicContact CE-CD2 4.24Å; M127-F360 HydrophobicContact CE-CE1 3.99Å; M127-F360 HydrophobicContact CE-CE2 4.28Å; M127-F360 HydrophobicContact CE-CG 4.09Å; M127-F360 HydrophobicContact CE-CZ 4.16Å; M127-M363 HydrophobicContact CE-CE 3.53Å; M127-M363 HydrophobicContact CE-SD 4.16Å; M127-W394 PolarHBondContact O-NE1 3.39Å
128	T	88.8	Confident	93	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.104	23%	0.226	C	C	.	.	H	α-helix	trans	-80.5	-25.8	-180	67.9	0	0	0	0	113	K124 M126 D130 H133 Q359	K124-T128 HydrophobicContact CG-CG2 4.16Å; K124-T128 WeakPolarHBondContact O-CB 3.43Å; K124-T128 WeakPolarHBondContact O-CG2 3.47Å; K124-T128 PolarHBondContact O-N 2.87Å; K124-T128 PolarHBondContact O-OG1 3.03Å; M126-T128 PolarHBondContact O-N 3.37Å; T128-D130 PolarHBondContact O-N 2.82Å; T128-D130 WeakPolarHBondContact OG1-CB 3.47Å; T128-D130 PolarHBondContact OG1-N 2.86Å; T128-H133 WeakPolarHBondContact CG2-ND1 3.22Å; T128-H133 PolarHBondContact OG1-ND1 3.12Å; T128-Q359 HydrophobicContact CG2-CG 3.98Å; T128-Q359 VanDerWaalsContact CG2-NE2 3.26Å
129	F	88.4	Confident	92.9	Very high	31 Å²	31	45.2 Å²	45.2	14%	0.136	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.9	-169.7	-153.2	-104.5	0	0	0	112.2	A125 M126 L185 W394 I436	A125-F129 WeakPolarHBondContact O-CA 3.44Å; A125-F129 PolarHBondContact O-N 3.32Å; M126-F129 PolarHBondContact O-N 3.39Å; F129-L185 HydrophobicContact CD2-CD1 4.27Å; F129-L185 HydrophobicContact CE2-CD1 4.05Å; F129-L185 HydrophobicContact CE2-CD2 3.81Å; F129-L185 HydrophobicContact CE2-CG 4.43Å; F129-W394 HydrophobicContact CB-CD2 4.38Å; F129-W394 HydrophobicContact CB-CG 4.35Å; F129-W394 HydrophobicContact CD2-CD2 4.05Å; F129-W394 AromaticContact CD2-CE2 3.93Å; F129-W394 HydrophobicContact CD2-CE3 4.09Å; F129-W394 AromaticContact CD2-CH2 3.99Å; F129-W394 HydrophobicContact CD2-CH2 3.99Å; F129-W394 AromaticContact CD2-CZ2 3.93Å; F129-W394 HydrophobicContact CD2-CZ2 3.93Å; F129-W394 HydrophobicContact CD2-CZ3 4.07Å; F129-W394 HydrophobicContact CE2-CE3 4.35Å; F129-W394 HydrophobicContact CE2-CH2 4.22Å; F129-W394 HydrophobicContact CE2-CZ3 4.08Å; F129-W394 HydrophobicContact CG-CD2 4.37Å; F129-I436 HydrophobicContact CE2-CD1 4.08Å; F129-I436 HydrophobicContact CE2-CG1 4.33Å; F129-I436 HydrophobicContact CZ-CD1 4.04Å; F129-I436 HydrophobicContact CZ-CG1 3.88Å
130	D	88.1	Confident	92.9	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	24%	0.24	S	C	.	.			trans	-99.3	128	-176.1	177.2	-85.1	0	0	0	109.2	T128 Q132 H133 I134	T128-D130 PolarHBondContact O-N 2.82Å; T128-D130 WeakPolarHBondContact OG1-CB 3.47Å; T128-D130 PolarHBondContact OG1-N 2.86Å; D130-Q132 VanDerWaalsContact C-N 3.27Å; D130-Q132 PolarHBondContact O-N 2.94Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.46Å; D130-Q132 VanDerWaalsContact OD1-CB 3.24Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.39Å; D130-Q132 PolarHBondContact OD1-N 2.98Å; D130-H133 HydrophobicContact CB-CB 4.17Å; D130-H133 PolarHBondContact O-N 2.93Å; D130-H133 IonicContact OD1-CG 2.68Å; D130-H133 PolarHBondContact OD1-N 3.25Å; D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.45Å; D130-I134 PolarHBondContact O-N 3.2Å
131	P	89.1	Confident	93	Very high	91 Å²	91	43.8 Å²	43.8	59%	0.591	24%	0.237	S	C	*	.	H	α-helix	trans	-57	-36.5	-177.3	-27.5	35.3	0	0	0	114.1	I134 L135	P131-I134 PolarHBondContact O-N 3.43Å; P131-L135 WeakPolarHBondContact O-CB 3.38Å; P131-L135 VanDerWaalsContact O-CG 3.25Å; P131-L135 WeakPolarHBondContact O-CG 3.45Å; P131-L135 PolarHBondContact O-N 2.65Å
132	Q	92	Very high	93	Very high	152 Å²	152	48.3 Å²	48.3	71%	0.71	26%	0.256	S	S	*	.	H	α-helix	trans	-71.2	-42.8	-180	-56.9	-176	-5.7	0	0	111	D130 I134 L135 S136	D130-Q132 VanDerWaalsContact C-N 3.27Å; D130-Q132 PolarHBondContact O-N 2.94Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.46Å; D130-Q132 VanDerWaalsContact OD1-CB 3.24Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.39Å; D130-Q132 PolarHBondContact OD1-N 2.98Å; Q132-I134 VanDerWaalsContact C-N 3.35Å; Q132-L135 PolarHBondContact O-N 3.24Å; Q132-S136 WeakPolarHBondContact O-CB 3.46Å; Q132-S136 PolarHBondContact O-N 3.27Å
133	H	93.5	Very high	93	Very high	61 Å²	61	53.5 Å²	53.5	28%	0.282	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-42.2	173.8	-65.5	160.2	0	0	0	111.7	A125 T128 D130 L135 S136 A137	A125-H133 HydrophobicContact CB-CB 3.96Å; A125-H133 WeakPolarHBondContact CB-O 3.39Å; T128-H133 WeakPolarHBondContact CG2-ND1 3.22Å; T128-H133 PolarHBondContact OG1-ND1 3.12Å; D130-H133 HydrophobicContact CB-CB 4.17Å; D130-H133 PolarHBondContact O-N 2.93Å; D130-H133 IonicContact OD1-CG 2.68Å; D130-H133 PolarHBondContact OD1-N 3.25Å; H133-L135 PolarHBondContact O-N 3.46Å; H133-S136 PolarHBondContact O-N 3.03Å; H133-A137 VanDerWaalsContact O-CB 3.32Å; H133-A137 WeakPolarHBondContact O-CB 3.43Å; H133-A137 PolarHBondContact O-N 2.97Å
134	I	92.8	Very high	93.1	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-41.3	177.5	-68.3	165.9	0	0	0	111.6	A125 D130 P131 Q132 G138 L182 L185 Q186	A125-I134 HydrophobicContact CB-CG1 4.02Å; D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.45Å; D130-I134 PolarHBondContact O-N 3.2Å; P131-I134 PolarHBondContact O-N 3.43Å; Q132-I134 VanDerWaalsContact C-N 3.35Å; I134-G138 PolarHBondContact O-N 3.02Å; I134-L182 HydrophobicContact CG2-CD2 4.19Å; I134-L185 HydrophobicContact CD1-CB 4.27Å; I134-L185 HydrophobicContact CD1-CD1 4.28Å; I134-L185 HydrophobicContact CG2-CB 4.36Å; I134-Q186 HydrophobicContact CG2-CG 3.33Å; I134-Q186 PolarHBondContact O-NE2 3.41Å; I134-Q186 VanDerWaalsContact O-NE2 3.15Å
135	L	92.5	Very high	93.3	Very high	108 Å²	108	48.4 Å²	48.4	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-66.3	-46	176	-73.1	171.2	0	0	0	111.6	P131 Q132 H133 G138 S139	P131-L135 WeakPolarHBondContact O-CB 3.38Å; P131-L135 VanDerWaalsContact O-CG 3.25Å; P131-L135 WeakPolarHBondContact O-CG 3.45Å; P131-L135 PolarHBondContact O-N 2.65Å; Q132-L135 PolarHBondContact O-N 3.24Å; H133-L135 PolarHBondContact O-N 3.46Å; L135-G138 PolarHBondContact O-N 3.04Å; L135-S139 PolarHBondContact O-N 3.21Å
136	S	95.1	Very high	93.4	Very high	57 Å²	57	51.7 Å²	51.7	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-41.7	178.9	178.6	0	0	0	0	112.8	Q132 H133 G138 S139 T140	Q132-S136 WeakPolarHBondContact O-CB 3.46Å; Q132-S136 PolarHBondContact O-N 3.27Å; H133-S136 PolarHBondContact O-N 3.03Å; S136-G138 VanDerWaalsContact C-N 3.33Å; S136-S139 PolarHBondContact O-N 2.7Å; S136-S139 PolarHBondContact O-OG 2.8Å; S136-T140 WeakPolarHBondContact O-CB 3.19Å; S136-T140 PolarHBondContact O-N 3.2Å; S136-T140 PolarHBondContact O-OG1 3.13Å
137	A	96.5	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.2	172.5	0	0	0	0	0	110.9	L121 E122 A125 H133 S139 T140 M141 L182	L121-A137 HydrophobicContact CB-CB 4.33Å; E122-A137 HydrophobicContact CB-CB 4.35Å; A125-A137 HydrophobicContact CB-CB 3.78Å; H133-A137 VanDerWaalsContact O-CB 3.32Å; H133-A137 WeakPolarHBondContact O-CB 3.43Å; H133-A137 PolarHBondContact O-N 2.97Å; A137-S139 PolarHBondContact O-N 2.72Å; A137-T140 PolarHBondContact O-N 2.94Å; A137-M141 VanDerWaalsContact O-CB 3.23Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 2.88Å; A137-L182 HydrophobicContact CB-CD1 4.08Å; A137-L182 HydrophobicContact CB-CD2 4.07Å
138	G	94.8	Very high	93.7	Very high	14 Å²	14	48.2 Å²	48.2	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-42.4	177.4	0	0	0	0	0	114	I134 L135 S136 K142	I134-G138 PolarHBondContact O-N 3.02Å; L135-G138 PolarHBondContact O-N 3.04Å; S136-G138 VanDerWaalsContact C-N 3.33Å; G138-K142 WeakPolarHBondContact O-CB 3.44Å; G138-K142 PolarHBondContact O-N 3.46Å; G138-K142 VanDerWaalsContact O-N 3.13Å
139	S	95.2	Very high	93.9	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-47.5	175.9	62.6	0	0	0	0	111.2	L135 S136 A137 M141 K142 E143	L135-S139 PolarHBondContact O-N 3.21Å; S136-S139 PolarHBondContact O-N 2.7Å; S136-S139 PolarHBondContact O-OG 2.8Å; A137-S139 PolarHBondContact O-N 2.72Å; S139-M141 VanDerWaalsContact C-N 3.33Å; S139-M141 PolarHBondContact O-N 3.36Å; S139-K142 WeakPolarHBondContact O-CB 3.44Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 VanDerWaalsContact O-N 3.11Å; S139-E143 PolarHBondContact O-N 2.89Å
140	T	96.9	Very high	94	Very high	22 Å²	22	56.9 Å²	56.9	14%	0.135	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-41.4	-179.7	-50.8	0	0	0	0	111.4	Y117 A118 L121 S136 A137 K142 E143 A144	Y117-T140 HydrophobicContact CD1-CG2 3.77Å; Y117-T140 HydrophobicContact CE1-CG2 3.96Å; A118-T140 HydrophobicContact CB-CG2 3.92Å; L121-T140 HydrophobicContact CD1-CG2 4.07Å; S136-T140 WeakPolarHBondContact O-CB 3.19Å; S136-T140 PolarHBondContact O-N 3.2Å; S136-T140 PolarHBondContact O-OG1 3.13Å; A137-T140 PolarHBondContact O-N 2.94Å; T140-K142 VanDerWaalsContact C-N 3.33Å; T140-K142 PolarHBondContact O-N 3.39Å; T140-E143 PolarHBondContact O-N 3.41Å; T140-A144 PolarHBondContact O-N 2.91Å
141	M	96.9	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-34	176.5	-164.8	61.4	65.1	0	0	112.6	L115 A118 E122 A137 S139 Q145 C175 Q178 R179 L182	L115-M141 HydrophobicContact CD1-SD 4.48Å; A118-M141 HydrophobicContact CB-CB 4.43Å; A118-M141 HydrophobicContact CB-CE 3.41Å; A118-M141 VanDerWaalsContact CB-CE 3.41Å; A118-M141 HydrophobicContact CB-SD 3.73Å; A118-M141 WeakPolarHBondContact O-CE 3.38Å; E122-M141 HydrophobicContact CB-CE 4.27Å; E122-M141 WeakPolarHBondContact OE2-CE 3.49Å; A137-M141 VanDerWaalsContact O-CB 3.23Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 2.88Å; S139-M141 VanDerWaalsContact C-N 3.33Å; S139-M141 PolarHBondContact O-N 3.36Å; M141-Q145 WeakPolarHBondContact O-CB 3.48Å; M141-Q145 PolarHBondContact O-N 2.95Å; M141-C175 HydrophobicContact SD-CB 4.4Å; M141-Q178 HydrophobicContact CE-CB 3.87Å; M141-Q178 HydrophobicContact CE-CG 4.4Å; M141-Q178 HydrophobicContact CG-CB 4.28Å; M141-Q178 HydrophobicContact SD-CB 4.06Å; M141-Q178 PolarHBondContact SD-OE1 3.4Å; M141-Q178 VanDerWaalsContact SD-OE1 3.38Å; M141-R179 HydrophobicContact CB-CG 4Å; M141-R179 HydrophobicContact CG-CG 3.4Å; M141-R179 VanDerWaalsContact CG-CG 3.4Å; M141-L182 HydrophobicContact CB-CD1 4.37Å
142	K	95.7	Very high	93.9	Very high	115 Å²	115	55.7 Å²	55.7	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-64.8	-42.7	173.4	-173.1	-177.9	178.2	-176.7	0	110.8	G138 S139 T140 Q145 T146	G138-K142 WeakPolarHBondContact O-CB 3.44Å; G138-K142 PolarHBondContact O-N 3.46Å; G138-K142 VanDerWaalsContact O-N 3.13Å; S139-K142 WeakPolarHBondContact O-CB 3.44Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-K142 VanDerWaalsContact O-N 3.11Å; T140-K142 VanDerWaalsContact C-N 3.33Å; T140-K142 PolarHBondContact O-N 3.39Å; K142-Q145 PolarHBondContact O-N 3.09Å; K142-T146 PolarHBondContact O-N 3.01Å; K142-T146 PolarHBondContact O-OG1 3.3Å
143	E	96.1	Very high	93.2	Very high	124 Å²	124	50.8 Å²	50.8	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-63	-46.4	176.1	-69.2	174.8	-161.6	0	0	111.8	S139 T140 Q145 T146 L147	S139-E143 PolarHBondContact O-N 2.89Å; T140-E143 PolarHBondContact O-N 3.41Å; E143-Q145 VanDerWaalsContact C-N 3.3Å; E143-Q145 PolarHBondContact O-N 3.09Å; E143-T146 PolarHBondContact O-N 3.05Å; E143-T146 VanDerWaalsContact O-N 3.16Å; E143-L147 PolarHBondContact O-N 3.49Å
144	A	97.1	Very high	92.1	Very high	3 Å²	3	56 Å²	56	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-42.8	175.3	0	0	0	0	0	111.9	A114 A118 T140 L147 C148	A114-A144 HydrophobicContact CB-CB 3.87Å; A118-A144 HydrophobicContact CB-CB 4.09Å; T140-A144 PolarHBondContact O-N 2.91Å; A144-L147 PolarHBondContact O-N 3.21Å; A144-C148 PolarHBondContact O-N 3.36Å; A144-C148 PolarHBondContact O-SG 3.07Å
145	Q	96.1	Very high	90.4	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.075	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-44.5	175.5	-168.9	-173.9	16.1	0	0	112.3	M141 K142 E143 L147 C148 Q149 Y172 C175	M141-Q145 WeakPolarHBondContact O-CB 3.48Å; M141-Q145 PolarHBondContact O-N 2.95Å; K142-Q145 PolarHBondContact O-N 3.09Å; E143-Q145 VanDerWaalsContact C-N 3.3Å; E143-Q145 PolarHBondContact O-N 3.09Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.5Å; Q145-C148 PolarHBondContact O-N 3.43Å; Q145-Q149 WeakPolarHBondContact O-CB 3.34Å; Q145-Q149 PolarHBondContact O-N 3.42Å; Q145-Y172 HydrophobicContact CG-CD2 3.62Å; Q145-Y172 HydrophobicContact CG-CE2 3.47Å; Q145-Y172 VanDerWaalsContact CG-CE2 3.47Å; Q145-Y172 VanDerWaalsContact NE2-CZ 3.29Å; Q145-Y172 PolarHBondContact NE2-OH 3.48Å; Q145-C175 HydrophobicContact CB-CB 3.82Å; Q145-C175 HydrophobicContact CG-CB 3.94Å
146	T	95.1	Very high	88.7	Confident	70 Å²	70	57.6 Å²	57.6	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-38	177	-64.9	0	0	0	0	111.3	K142 E143 Q149 R150	K142-T146 PolarHBondContact O-N 3.01Å; K142-T146 PolarHBondContact O-OG1 3.3Å; E143-T146 PolarHBondContact O-N 3.05Å; E143-T146 VanDerWaalsContact O-N 3.16Å; T146-Q149 PolarHBondContact O-N 3.25Å; T146-R150 PolarHBondContact O-N 2.92Å
147	L	94.1	Very high	86.6	Confident	9 Å²	9	64 Å²	64	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-50.5	174.5	-173.2	62.5	0	0	0	110.9	A114 E143 A144 Q145 Q149 R150 Y151	A114-L147 HydrophobicContact CB-CD2 3.71Å; E143-L147 PolarHBondContact O-N 3.49Å; A144-L147 PolarHBondContact O-N 3.21Å; Q145-L147 VanDerWaalsContact C-N 3.28Å; Q145-L147 PolarHBondContact O-N 3.5Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 2.78Å; L147-R150 WeakPolarHBondContact O-CB 3.43Å; L147-R150 PolarHBondContact O-N 3Å; L147-Y151 HydrophobicContact CD1-CE2 3.89Å; L147-Y151 HydrophobicContact CG-CE2 4.15Å; L147-Y151 VanDerWaalsContact O-CD2 3.3Å; L147-Y151 WeakPolarHBondContact O-CD2 3.49Å
148	C	94	Very high	84.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-54.2	-43.9	176.5	-62.7	0	0	0	0	111.5	A144 Q145 R150 Y151 R152 Y172	A144-C148 PolarHBondContact O-N 3.36Å; A144-C148 PolarHBondContact O-SG 3.07Å; Q145-C148 PolarHBondContact O-N 3.43Å; C148-R150 PolarHBondContact O-N 2.67Å; C148-R150 VanDerWaalsContact O-N 3.1Å; C148-Y151 PolarHBondContact O-N 3.3Å; C148-R152 WeakPolarHBondContact O-CG 3.47Å; C148-R152 PolarHBondContact O-N 3.32Å; C148-R152 VanDerWaalsContact O-N 3.12Å; C148-Y172 HydrophobicContact CB-CD2 4.44Å
149	Q	92.8	Very high	83.1	Confident	80 Å²	80	75.6 Å²	75.6	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-57.5	-26.6	178.7	-172.1	67.7	38	0	0	113.6	Q145 T146 L147 Y151 Y172	Q145-Q149 WeakPolarHBondContact O-CB 3.34Å; Q145-Q149 PolarHBondContact O-N 3.42Å; T146-Q149 PolarHBondContact O-N 3.25Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 2.78Å; Q149-Y151 VanDerWaalsContact C-N 3.33Å; Q149-Y172 HydrophobicContact CB-CE2 4.38Å
150	R	90.8	Very high	82.1	Confident	149 Å²	149	75.6 Å²	75.6	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-71.2	-29.5	177.6	-64.5	175.6	-172.3	169	1.4	113	T146 L147 C148 K154	T146-R150 PolarHBondContact O-N 2.92Å; L147-R150 WeakPolarHBondContact O-CB 3.43Å; L147-R150 PolarHBondContact O-N 3Å; C148-R150 PolarHBondContact O-N 2.67Å; C148-R150 VanDerWaalsContact O-N 3.1Å; R150-K154 WeakPolarHBondContact O-CE 3.48Å; R150-K154 PolarHBondContact O-NZ 2.64Å
151	Y	86.7	Confident	81.3	Confident	76 Å²	76	76.2 Å²	76.2	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-94.7	-12.8	-179.9	-64.7	-85.7	0	0	0	112.9	E109 M111 L147 C148 Q149 E164 E165	E109-Y151 PolarHBondContact O-OH 3.16Å; M111-Y151 HydrophobicContact CE-CD1 4.03Å; M111-Y151 HydrophobicContact CE-CD2 4.21Å; M111-Y151 HydrophobicContact CE-CG 3.77Å; L147-Y151 HydrophobicContact CD1-CE2 3.89Å; L147-Y151 HydrophobicContact CG-CE2 4.15Å; L147-Y151 VanDerWaalsContact O-CD2 3.3Å; L147-Y151 WeakPolarHBondContact O-CD2 3.49Å; C148-Y151 PolarHBondContact O-N 3.3Å; Q149-Y151 VanDerWaalsContact C-N 3.33Å; Y151-E164 HydrophobicContact CD1-CG 4.19Å; Y151-E164 WeakPolarHBondContact CD1-OE1 3.36Å; Y151-E164 VanDerWaalsContact CE1-OE1 3.22Å; Y151-E164 WeakPolarHBondContact CE1-OE1 3.48Å; Y151-E165 WeakPolarHBondContact O-CG 3.39Å
152	R	86.7	Confident	80.8	Confident	47 Å²	47	79.7 Å²	79.7	18%	0.177	39%	0.388	C	S	.	.	S	Bend	trans	-65.1	157.3	173.7	-71.8	-177.7	72	-159.3	5.1	111.8	C148 K154 A168 E169 Y172	C148-R152 WeakPolarHBondContact O-CG 3.47Å; C148-R152 PolarHBondContact O-N 3.32Å; C148-R152 VanDerWaalsContact O-N 3.12Å; R152-K154 PolarHBondContact O-N 3.41Å; R152-A168 HydrophobicContact CG-CB 4.05Å; R152-E169 IonicContact CZ-OE1 3.37Å; R152-E169 IonicContact CZ-OE2 3.18Å; R152-E169 IonicContact NE-OE1 2.78Å; R152-E169 PolarHBondContact NE-OE1 3.33Å; R152-E169 IonicContact NE-OE2 2.93Å; R152-E169 PolarHBondContact NE-OE2 3.43Å; R152-E169 VanDerWaalsContact NH2-CD 3.33Å; R152-E169 IonicContact NH2-OE1 3.11Å; R152-E169 PolarHBondContact NH2-OE1 3.33Å; R152-E169 VanDerWaalsContact NH2-OE1 3.11Å; R152-E169 IonicContact NH2-OE2 2.7Å; R152-E169 PolarHBondContact NH2-OE2 3.45Å; R152-Y172 VanDerWaalsContact NH1-CZ 3.34Å
153	R	78.4	Confident	80.5	Confident	49 Å²	49	76.3 Å²	76.3	19%	0.185	37%	0.374	C	S	.	.			trans	-58.9	122.8	179.2	-168.7	174.7	73.9	161.5	1.3	111.3	F161 E165	R153-F161 HydrophobicContact CB-CE1 4.45Å; R153-E165 WeakPolarHBondContact CA-OE1 3.49Å; R153-E165 HydrophobicContact CB-CG 4.46Å
154	K	69.1	Low	80.2	Confident	171 Å²	171	74.4 Å²	74.4	74%	0.743	37%	0.366	S	S	*	.			trans	-97.7	-17.2	-177.3	-65.2	178.1	-174.4	159.1	0	114.5	R150 R152	R150-K154 WeakPolarHBondContact O-CE 3.48Å; R150-K154 PolarHBondContact O-NZ 2.64Å; R152-K154 PolarHBondContact O-N 3.41Å
155	S	57.8	Low	79.9	Confident	56 Å²	56	76.1 Å²	76.1	39%	0.392	37%	0.373	S	S	.	.			trans	-131.1	131.6	-171	178.2	0	0	0	0	112.1	F157	S155-F157 PolarHBondContact O-N 2.82Å; S155-F157 WeakPolarHBondContact OG-CD2 3.35Å; S155-F157 PolarHBondContact OG-N 3.47Å
156	S	56.4	Low	79.7	Confident	94 Å²	94	75.4 Å²	75.4	66%	0.657	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.9	176	-167.8	0	0	0	0	113.5
157	F	51.6	Low	79.7	Confident	192 Å²	192	72.1 Å²	72.1	84%	0.842	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.5	-174	-64.1	-75.1	0	0	0	114.1	S155	S155-F157 PolarHBondContact O-N 2.82Å; S155-F157 WeakPolarHBondContact OG-CD2 3.35Å; S155-F157 PolarHBondContact OG-N 3.47Å
158	S	54.8	Low	79.7	Confident	55 Å²	55	71.7 Å²	71.7	39%	0.385	35%	0.347	S	S	.	.			trans	-84.7	128.5	171.2	178.9	0	0	0	0	110.4	S160	S158-S160 PolarHBondContact OG-O 3.37Å
159	K	62	Low	79.8	Confident	201 Å²	201	72.3 Å²	72.3	87%	0.874	35%	0.35	S	S	*	.	S	Bend	trans	-79.3	-19.7	179.5	-69.2	-175.7	178.6	-179.3	0	113.5
160	S	74.3	Confident	80	Confident	58 Å²	58	68.5 Å²	68.5	41%	0.406	33%	0.332	S	S	.	.	S	Bend	trans	-120.9	141.9	-176	56.1	0	0	0	0	111.9	S158	S158-S160 PolarHBondContact OG-O 3.37Å
161	F	80.4	Confident	80.3	Confident	35 Å²	35	61.4 Å²	61.4	15%	0.154	31%	0.306	C	S	.	.			trans	-79.3	141.6	172	-73	-94.6	0	0	0	110.7	R153 E165 L166 E169 V213	R153-F161 HydrophobicContact CB-CE1 4.45Å; F161-E165 HydrophobicContact CD1-CB 4.26Å; F161-L166 HydrophobicContact CB-CD1 4.26Å; F161-L166 HydrophobicContact CB-CD2 3.64Å; F161-L166 HydrophobicContact CB-CG 3.7Å; F161-L166 HydrophobicContact CD1-CD2 3.87Å; F161-L166 HydrophobicContact CD1-CG 4.47Å; F161-L166 HydrophobicContact CD2-CD2 4.16Å; F161-L166 HydrophobicContact CG-CD2 3.64Å; F161-L166 HydrophobicContact CG-CG 4.23Å; F161-E169 HydrophobicContact CE1-CG 4.45Å; F161-V213 HydrophobicContact CD2-CG1 4.49Å; F161-V213 HydrophobicContact CD2-CG2 4.35Å; F161-V213 HydrophobicContact CE2-CG2 3.96Å
162	T	88	Confident	80.8	Confident	74 Å²	74	59.5 Å²	59.5	45%	0.454	30%	0.298	S	S	.	.			trans	-75.9	157.2	161.5	62.8	0	0	0	0	110.5	E164 E165 L166	T162-E164 VanDerWaalsContact C-N 3.29Å; T162-E164 PolarHBondContact O-N 3.39Å; T162-E165 PolarHBondContact N-OE2 3.03Å; T162-E165 PolarHBondContact O-N 3.46Å; T162-E165 WeakPolarHBondContact OG1-CB 3.4Å; T162-E165 VanDerWaalsContact OG1-CD 3.22Å; T162-E165 WeakPolarHBondContact OG1-CG 3.43Å; T162-E165 PolarHBondContact OG1-N 3Å; T162-E165 PolarHBondContact OG1-OE2 3.18Å; T162-L166 PolarHBondContact O-N 2.93Å; T162-L166 VanDerWaalsContact O-N 3.13Å
163	E	87.5	Confident	81.3	Confident	44 Å²	44	57.3 Å²	57.3	21%	0.206	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-42.1	176.6	-175.2	179.1	-143.7	0	0	111.7	L77 E165 L166 H167 G222 D223 N224 H225	L77-E163 HydrophobicContact CD2-CG 4.26Å; E163-E165 PolarHBondContact O-N 2.87Å; E163-L166 PolarHBondContact O-N 3.32Å; E163-H167 PolarHBondContact O-CD2 3.26Å; E163-H167 PolarHBondContact O-N 2.91Å; E163-H167 VanDerWaalsContact O-N 3.11Å; E163-G222 VanDerWaalsContact OE1-CA 3.25Å; E163-G222 WeakPolarHBondContact OE1-CA 3.48Å; E163-D223 PolarHBondContact OE1-N 3.27Å; E163-N224 VanDerWaalsContact OE1-CA 3.27Å; E163-N224 WeakPolarHBondContact OE1-CA 3.46Å; E163-N224 WeakPolarHBondContact OE1-CB 3.49Å; E163-N224 PolarHBondContact OE1-N 3.4Å; E163-H225 PolarHBondContact OE1-N 2.93Å
164	E	89.8	Confident	82.1	Confident	84 Å²	84	55.8 Å²	55.8	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-39.6	179.2	-170.5	172.7	-157.3	0	0	112.5	M111 Y151 T162 L166 H167 A168	M111-E164 HydrophobicContact CE-CG 3.61Å; Y151-E164 HydrophobicContact CD1-CG 4.19Å; Y151-E164 WeakPolarHBondContact CD1-OE1 3.36Å; Y151-E164 VanDerWaalsContact CE1-OE1 3.22Å; Y151-E164 WeakPolarHBondContact CE1-OE1 3.48Å; T162-E164 VanDerWaalsContact C-N 3.29Å; T162-E164 PolarHBondContact O-N 3.39Å; E164-L166 PolarHBondContact O-N 2.94Å; E164-H167 PolarHBondContact O-N 3.38Å; E164-A168 WeakPolarHBondContact O-CB 3.2Å; E164-A168 PolarHBondContact O-N 2.92Å
165	E	91.7	Very high	83.5	Confident	38 Å²	38	47.7 Å²	47.7	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-40.2	174.9	-75.5	167.7	141.6	0	0	111.8	Y151 R153 F161 T162 E163 A168 E169	Y151-E165 WeakPolarHBondContact O-CG 3.39Å; R153-E165 WeakPolarHBondContact CA-OE1 3.49Å; R153-E165 HydrophobicContact CB-CG 4.46Å; F161-E165 HydrophobicContact CD1-CB 4.26Å; T162-E165 PolarHBondContact N-OE2 3.03Å; T162-E165 PolarHBondContact O-N 3.46Å; T162-E165 WeakPolarHBondContact OG1-CB 3.4Å; T162-E165 VanDerWaalsContact OG1-CD 3.22Å; T162-E165 WeakPolarHBondContact OG1-CG 3.43Å; T162-E165 PolarHBondContact OG1-N 3Å; T162-E165 PolarHBondContact OG1-OE2 3.18Å; E163-E165 PolarHBondContact O-N 2.87Å; E165-A168 PolarHBondContact O-N 3.37Å; E165-E169 WeakPolarHBondContact O-CG 3.48Å; E165-E169 PolarHBondContact O-N 3.42Å
166	L	92.6	Very high	85.3	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-44.9	176.5	-70.8	174.8	0	0	0	111.6	F161 T162 E163 E164 A168 E169 V170 L210 V213 Y219 F228	F161-L166 HydrophobicContact CB-CD1 4.26Å; F161-L166 HydrophobicContact CB-CD2 3.64Å; F161-L166 HydrophobicContact CB-CG 3.7Å; F161-L166 HydrophobicContact CD1-CD2 3.87Å; F161-L166 HydrophobicContact CD1-CG 4.47Å; F161-L166 HydrophobicContact CD2-CD2 4.16Å; F161-L166 HydrophobicContact CG-CD2 3.64Å; F161-L166 HydrophobicContact CG-CG 4.23Å; T162-L166 PolarHBondContact O-N 2.93Å; T162-L166 VanDerWaalsContact O-N 3.13Å; E163-L166 PolarHBondContact O-N 3.32Å; E164-L166 PolarHBondContact O-N 2.94Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 3.27Å; L166-E169 PolarHBondContact O-N 3.32Å; L166-V170 PolarHBondContact O-N 2.9Å; L166-V170 VanDerWaalsContact O-N 3.17Å; L166-L210 HydrophobicContact CD2-CD2 4.11Å; L166-V213 HydrophobicContact CD2-CG1 4.02Å; L166-Y219 HydrophobicContact CD1-CD2 3.55Å; L166-Y219 HydrophobicContact CD1-CE2 3.99Å; L166-Y219 HydrophobicContact CD1-CG 4.32Å; L166-F228 HydrophobicContact CB-CD2 3.74Å; L166-F228 HydrophobicContact CB-CE2 3.75Å; L166-F228 HydrophobicContact CB-CG 4.27Å; L166-F228 HydrophobicContact CB-CZ 4.26Å; L166-F228 HydrophobicContact CD1-CD1 4.41Å; L166-F228 HydrophobicContact CD1-CE1 4.16Å; L166-F228 HydrophobicContact CD1-CZ 4.23Å; L166-F228 HydrophobicContact CD2-CE2 4.06Å; L166-F228 HydrophobicContact CD2-CZ 3.93Å; L166-F228 HydrophobicContact CG-CE2 4.32Å; L166-F228 HydrophobicContact CG-CZ 4.36Å
167	H	94.3	Very high	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-39.7	175.6	-78.5	-125	0	0	0	111.6	L77 M111 Y112 E163 E164 E169 V170 C171 N224 F228	L77-H167 HydrophobicContact CD1-CB 4.44Å; L77-H167 HydrophobicContact CD2-CB 4.47Å; M111-H167 HydrophobicContact SD-CB 4.28Å; Y112-H167 HydrophobicContact CE2-CB 4.04Å; Y112-H167 AromaticContact CE2-ND1 3.46Å; Y112-H167 WeakPolarHBondContact CE2-ND1 3.34Å; Y112-H167 AromaticContact CZ-ND1 3.55Å; Y112-H167 PolarHBondContact OH-ND1 2.87Å; E163-H167 PolarHBondContact O-CD2 3.26Å; E163-H167 PolarHBondContact O-N 2.91Å; E163-H167 VanDerWaalsContact O-N 3.11Å; E164-H167 PolarHBondContact O-N 3.38Å; H167-E169 PolarHBondContact O-N 3.17Å; H167-V170 PolarHBondContact O-N 3.34Å; H167-C171 PolarHBondContact O-N 3.37Å; H167-C171 PolarHBondContact O-SG 2.85Å; H167-N224 PolarHBondContact NE2-O 3.49Å; H167-F228 WeakPolarHBondContact NE2-CB 3.22Å
168	A	95.2	Very high	89.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-37.7	177.1	0	0	0	0	0	112.6	M111 R152 E164 E165 L166 Y172	M111-A168 HydrophobicContact CE-CB 4.28Å; M111-A168 HydrophobicContact SD-CB 3.96Å; R152-A168 HydrophobicContact CG-CB 4.05Å; E164-A168 WeakPolarHBondContact O-CB 3.2Å; E164-A168 PolarHBondContact O-N 2.92Å; E165-A168 PolarHBondContact O-N 3.37Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 3.27Å; A168-Y172 WeakPolarHBondContact O-CB 3.37Å; A168-Y172 PolarHBondContact O-N 2.8Å
169	E	95.6	Very high	91.2	Very high	14 Å²	14	36.3 Å²	36.3	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-44.1	174.3	-71	-62.5	153.9	0	0	111.9	R152 F161 E165 L166 H167 Y172 A173 T206 L210	R152-E169 IonicContact CZ-OE1 3.37Å; R152-E169 IonicContact CZ-OE2 3.18Å; R152-E169 IonicContact NE-OE1 2.78Å; R152-E169 PolarHBondContact NE-OE1 3.33Å; R152-E169 IonicContact NE-OE2 2.93Å; R152-E169 PolarHBondContact NE-OE2 3.43Å; R152-E169 VanDerWaalsContact NH2-CD 3.33Å; R152-E169 IonicContact NH2-OE1 3.11Å; R152-E169 PolarHBondContact NH2-OE1 3.33Å; R152-E169 VanDerWaalsContact NH2-OE1 3.11Å; R152-E169 IonicContact NH2-OE2 2.7Å; R152-E169 PolarHBondContact NH2-OE2 3.45Å; F161-E169 HydrophobicContact CE1-CG 4.45Å; E165-E169 WeakPolarHBondContact O-CG 3.48Å; E165-E169 PolarHBondContact O-N 3.42Å; L166-E169 PolarHBondContact O-N 3.32Å; H167-E169 PolarHBondContact O-N 3.17Å; E169-Y172 PolarHBondContact O-N 3.2Å; E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 2.89Å; E169-T206 HydrophobicContact CB-CG2 4.3Å; E169-L210 HydrophobicContact CB-CD1 3.96Å; E169-L210 HydrophobicContact CB-CD2 3.84Å; E169-L210 HydrophobicContact CB-CG 4.35Å; E169-L210 HydrophobicContact CG-CD2 4.39Å
170	V	96.1	Very high	92.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-54.4	174.9	176	0	0	0	0	110.5	L166 H167 Y172 A173 E174 Y207 L210 F228 V232	L166-V170 PolarHBondContact O-N 2.9Å; L166-V170 VanDerWaalsContact O-N 3.17Å; H167-V170 PolarHBondContact O-N 3.34Å; V170-Y172 PolarHBondContact O-N 2.91Å; V170-A173 WeakPolarHBondContact O-CB 3.34Å; V170-A173 PolarHBondContact O-N 3.04Å; V170-A173 VanDerWaalsContact O-N 3.08Å; V170-E174 WeakPolarHBondContact O-CG 3.38Å; V170-E174 PolarHBondContact O-N 3.32Å; V170-Y207 HydrophobicContact CG1-CE1 4.48Å; V170-L210 HydrophobicContact CB-CD1 4.46Å; V170-L210 HydrophobicContact CG2-CD1 3.61Å; V170-F228 HydrophobicContact CG2-CD2 3.66Å; V170-F228 HydrophobicContact CG2-CE2 3.84Å; V170-V232 HydrophobicContact CG2-CG2 4.24Å
171	C	96.9	Very high	93.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-35.5	-178.7	-68	0	0	0	0	112.2	L115 H167 E174 C175 R280	L115-C171 HydrophobicContact CD2-CB 3.89Å; H167-C171 PolarHBondContact O-N 3.37Å; H167-C171 PolarHBondContact O-SG 2.85Å; C171-E174 PolarHBondContact O-N 3.37Å; C171-C175 PolarHBondContact O-N 3.16Å; C171-C175 PolarHBondContact O-SG 2.91Å; C171-R280 PolarHBondContact SG-NH2 2.89Å; C171-R280 VanDerWaalsContact SG-NH2 3.39Å
172	Y	97.1	Very high	94	Very high	36 Å²	36	24 Å²	24	14%	0.141	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-42.4	175.1	-178.2	-93.5	0	0	0	112.5	Q145 C148 Q149 R152 A168 E169 V170 E174 C175 L176	Q145-Y172 HydrophobicContact CG-CD2 3.62Å; Q145-Y172 HydrophobicContact CG-CE2 3.47Å; Q145-Y172 VanDerWaalsContact CG-CE2 3.47Å; Q145-Y172 VanDerWaalsContact NE2-CZ 3.29Å; Q145-Y172 PolarHBondContact NE2-OH 3.48Å; C148-Y172 HydrophobicContact CB-CD2 4.44Å; Q149-Y172 HydrophobicContact CB-CE2 4.38Å; R152-Y172 VanDerWaalsContact NH1-CZ 3.34Å; A168-Y172 WeakPolarHBondContact O-CB 3.37Å; A168-Y172 PolarHBondContact O-N 2.8Å; E169-Y172 PolarHBondContact O-N 3.2Å; V170-Y172 PolarHBondContact O-N 2.91Å; Y172-E174 VanDerWaalsContact C-N 3.28Å; Y172-E174 PolarHBondContact O-N 3.11Å; Y172-C175 WeakPolarHBondContact O-CB 3.43Å; Y172-C175 PolarHBondContact O-N 3.05Å; Y172-L176 HydrophobicContact CD1-CD1 3.86Å; Y172-L176 HydrophobicContact CD1-CG 4.24Å; Y172-L176 HydrophobicContact CE1-CD1 3.44Å; Y172-L176 VanDerWaalsContact CE1-CD1 3.44Å; Y172-L176 HydrophobicContact CE1-CD2 4.4Å; Y172-L176 HydrophobicContact CE1-CG 3.88Å; Y172-L176 WeakPolarHBondContact O-CG 3.47Å; Y172-L176 PolarHBondContact O-N 2.87Å
173	A	97.3	Very high	94.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-37	175.9	0	0	0	0	0	111.8	E169 V170 L176 L177 S203 T206 Y207	E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 2.89Å; V170-A173 WeakPolarHBondContact O-CB 3.34Å; V170-A173 PolarHBondContact O-N 3.04Å; V170-A173 VanDerWaalsContact O-N 3.08Å; A173-L176 PolarHBondContact O-N 3.48Å; A173-L177 PolarHBondContact O-N 3.07Å; A173-S203 WeakPolarHBondContact O-CB 3.4Å; A173-S203 PolarHBondContact O-OG 2.99Å; A173-T206 HydrophobicContact CB-CG2 3.9Å; A173-Y207 HydrophobicContact CB-CD2 4.02Å; A173-Y207 HydrophobicContact CB-CE1 4.48Å; A173-Y207 HydrophobicContact CB-CE2 3.63Å
174	E	96.6	Very high	94.1	Very high	18 Å²	18	21.6 Å²	21.6	8%	0.084	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-47.9	173.4	-67.7	179.6	157.3	0	0	111.8	L115 V170 C171 Y172 L176 L177 Q178 Y207 R280	L115-E174 HydrophobicContact CD1-CB 4.24Å; L115-E174 HydrophobicContact CD2-CB 4.46Å; L115-E174 WeakPolarHBondContact CD2-OE2 3.31Å; V170-E174 WeakPolarHBondContact O-CG 3.38Å; V170-E174 PolarHBondContact O-N 3.32Å; C171-E174 PolarHBondContact O-N 3.37Å; Y172-E174 VanDerWaalsContact C-N 3.28Å; Y172-E174 PolarHBondContact O-N 3.11Å; E174-L176 PolarHBondContact O-N 3.22Å; E174-L177 PolarHBondContact O-N 3.27Å; E174-Q178 WeakPolarHBondContact O-CB 3.35Å; E174-Q178 PolarHBondContact O-N 2.92Å; E174-Y207 WeakPolarHBondContact CG-OH 3.17Å; E174-R280 VanDerWaalsContact CD-NE 3.33Å; E174-R280 WeakPolarHBondContact OE1-CD 3.46Å; E174-R280 IonicContact OE1-CZ 3.94Å; E174-R280 IonicContact OE1-NE 3.15Å; E174-R280 PolarHBondContact OE1-NE 3.01Å; E174-R280 IonicContact OE1-NH2 3.19Å; E174-R280 IonicContact OE2-CZ 3.88Å; E174-R280 IonicContact OE2-NE 2.66Å; E174-R280 PolarHBondContact OE2-NE 3.35Å; E174-R280 IonicContact OE2-NH2 3.94Å; E174-R280 PolarHBondContact OE2-NH2 3.01Å
175	C	97.6	Very high	93.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.5	-41.7	174	-72.1	0	0	0	0	111.4	M141 Q145 C171 Y172 L177 R179	M141-C175 HydrophobicContact SD-CB 4.4Å; Q145-C175 HydrophobicContact CB-CB 3.82Å; Q145-C175 HydrophobicContact CG-CB 3.94Å; C171-C175 PolarHBondContact O-N 3.16Å; C171-C175 PolarHBondContact O-SG 2.91Å; Y172-C175 WeakPolarHBondContact O-CB 3.43Å; Y172-C175 PolarHBondContact O-N 3.05Å; C175-L177 PolarHBondContact O-N 2.95Å; C175-R179 VanDerWaalsContact O-CB 3.25Å; C175-R179 WeakPolarHBondContact O-CB 3.39Å; C175-R179 WeakPolarHBondContact O-CG 3.45Å; C175-R179 PolarHBondContact O-N 3.27Å
176	L	96.5	Very high	93.3	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-44.6	177.5	-79	174.4	0	0	0	112.3	Y172 A173 E174 A180 K199 N202	Y172-L176 HydrophobicContact CD1-CD1 3.86Å; Y172-L176 HydrophobicContact CD1-CG 4.24Å; Y172-L176 HydrophobicContact CE1-CD1 3.44Å; Y172-L176 VanDerWaalsContact CE1-CD1 3.44Å; Y172-L176 HydrophobicContact CE1-CD2 4.4Å; Y172-L176 HydrophobicContact CE1-CG 3.88Å; Y172-L176 WeakPolarHBondContact O-CG 3.47Å; Y172-L176 PolarHBondContact O-N 2.87Å; A173-L176 PolarHBondContact O-N 3.48Å; E174-L176 PolarHBondContact O-N 3.22Å; L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 3.16Å; L176-K199 HydrophobicContact CD2-CB 4.18Å; L176-K199 HydrophobicContact CD2-CG 4.07Å; L176-K199 WeakPolarHBondContact O-CB 3.18Å; L176-N202 HydrophobicContact CD1-CB 3.74Å
177	L	95.2	Very high	92.3	Very high	69 Å²	69	24.4 Å²	24.4	36%	0.361	12%	0.122	S	C	.	.	H	α-helix	trans	-66.6	-47.2	-178.9	-173.5	63.3	0	0	0	111.4	A173 E174 C175 A180 A181 V200 F239	A173-L177 PolarHBondContact O-N 3.07Å; E174-L177 PolarHBondContact O-N 3.27Å; C175-L177 PolarHBondContact O-N 2.95Å; L177-A180 VanDerWaalsContact O-CB 3.3Å; L177-A180 WeakPolarHBondContact O-CB 3.49Å; L177-A180 PolarHBondContact O-N 3.38Å; L177-A180 VanDerWaalsContact O-N 3.1Å; L177-A181 PolarHBondContact O-N 3.28Å; L177-V200 HydrophobicContact CD1-CG2 4.42Å; L177-F239 HydrophobicContact CD1-CZ 4.14Å
178	Q	95.7	Very high	91.2	Very high	36 Å²	36	29 Å²	29	17%	0.168	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-43.6	177.2	-77.6	-171.3	-15.1	0	0	112.2	T119 E122 M141 E174 A180 A181 L182	T119-Q178 VanDerWaalsContact CG2-NE2 3.3Å; T119-Q178 PolarHBondContact OG1-NE2 3.02Å; T119-Q178 PolarHBondContact OG1-OE1 3.37Å; E122-Q178 WeakPolarHBondContact OE1-CA 3.31Å; E122-Q178 VanDerWaalsContact OE1-O 3.06Å; E122-Q178 WeakPolarHBondContact OE2-CB 3.41Å; E122-Q178 WeakPolarHBondContact OE2-CG 3.33Å; E122-Q178 PolarHBondContact OE2-OE1 2.8Å; M141-Q178 HydrophobicContact CE-CB 3.87Å; M141-Q178 HydrophobicContact CE-CG 4.4Å; M141-Q178 HydrophobicContact CG-CB 4.28Å; M141-Q178 HydrophobicContact SD-CB 4.06Å; M141-Q178 PolarHBondContact SD-OE1 3.4Å; M141-Q178 VanDerWaalsContact SD-OE1 3.38Å; E174-Q178 WeakPolarHBondContact O-CB 3.35Å; E174-Q178 PolarHBondContact O-N 2.92Å; Q178-A180 VanDerWaalsContact C-N 3.28Å; Q178-A180 PolarHBondContact O-N 3.5Å; Q178-A181 WeakPolarHBondContact O-CB 3.34Å; Q178-A181 PolarHBondContact O-N 3.3Å; Q178-L182 PolarHBondContact O-N 3.02Å
179	R	94.3	Very high	90.6	Very high	50 Å²	50	32.1 Å²	32.1	19%	0.189	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-34.6	171.7	-71.6	-173.5	73.8	-148	-0.5	112.8	M141 C175 T183 K199	M141-R179 HydrophobicContact CB-CG 4Å; M141-R179 HydrophobicContact CG-CG 3.4Å; M141-R179 VanDerWaalsContact CG-CG 3.4Å; C175-R179 VanDerWaalsContact O-CB 3.25Å; C175-R179 WeakPolarHBondContact O-CB 3.39Å; C175-R179 WeakPolarHBondContact O-CG 3.45Å; C175-R179 PolarHBondContact O-N 3.27Å; R179-T183 WeakPolarHBondContact O-CB 3.46Å; R179-T183 PolarHBondContact O-N 2.89Å; R179-T183 PolarHBondContact O-OG1 2.92Å; R179-K199 HydrophobicContact CB-CD 4.01Å
180	A	93.6	Very high	89.7	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-45.5	175.8	0	0	0	0	0	110.9	L176 L177 Q178 T183 F184 K199 V200	L176-A180 WeakPolarHBondContact O-CB 3.42Å; L176-A180 PolarHBondContact O-N 3.16Å; L177-A180 VanDerWaalsContact O-CB 3.3Å; L177-A180 WeakPolarHBondContact O-CB 3.49Å; L177-A180 PolarHBondContact O-N 3.38Å; L177-A180 VanDerWaalsContact O-N 3.1Å; Q178-A180 VanDerWaalsContact C-N 3.28Å; Q178-A180 PolarHBondContact O-N 3.5Å; A180-T183 WeakPolarHBondContact O-CB 3.18Å; A180-T183 PolarHBondContact O-N 3.17Å; A180-F184 HydrophobicContact CB-CE2 4.4Å; A180-F184 WeakPolarHBondContact O-CD2 3.3Å; A180-F184 WeakPolarHBondContact O-CG 3.36Å; A180-F184 PolarHBondContact O-N 3.42Å; A180-K199 HydrophobicContact CB-CB 3.92Å; A180-V200 HydrophobicContact CB-CG2 3.62Å
181	A	91.9	Very high	89.1	Confident	32 Å²	32	42.8 Å²	42.8	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-57.1	-50.9	176	0	0	0	0	0	111.6	L177 Q178 T183 F184 L185	L177-A181 PolarHBondContact O-N 3.28Å; Q178-A181 WeakPolarHBondContact O-CB 3.34Å; Q178-A181 PolarHBondContact O-N 3.3Å; A181-T183 VanDerWaalsContact C-N 3.33Å; A181-T183 PolarHBondContact O-N 3.16Å; A181-F184 WeakPolarHBondContact O-CB 3.26Å; A181-F184 PolarHBondContact O-N 3.41Å; A181-F184 VanDerWaalsContact O-N 3.16Å; A181-L185 PolarHBondContact O-N 2.84Å
182	L	91.6	Very high	88.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-38.6	175.9	-71.8	166.8	0	0	0	112.9	E122 A125 I134 A137 M141 Q178 F184 L185 Q186	E122-L182 HydrophobicContact CB-CD1 4.42Å; E122-L182 HydrophobicContact CG-CD1 4.06Å; E122-L182 HydrophobicContact CG-CD2 4.09Å; E122-L182 HydrophobicContact CG-CG 4.01Å; A125-L182 HydrophobicContact CB-CD2 4.46Å; I134-L182 HydrophobicContact CG2-CD2 4.19Å; A137-L182 HydrophobicContact CB-CD1 4.08Å; A137-L182 HydrophobicContact CB-CD2 4.07Å; M141-L182 HydrophobicContact CB-CD1 4.37Å; Q178-L182 PolarHBondContact O-N 3.02Å; L182-F184 VanDerWaalsContact C-N 3.29Å; L182-F184 PolarHBondContact O-N 3.28Å; L182-L185 PolarHBondContact O-N 3.29Å; L182-L185 VanDerWaalsContact O-N 3.07Å; L182-Q186 VanDerWaalsContact O-CG 3.31Å; L182-Q186 WeakPolarHBondContact O-CG 3.37Å; L182-Q186 PolarHBondContact O-N 3.36Å
183	T	89.4	Confident	87.8	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.104	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-39.2	177.1	-57.5	0	0	0	0	111.2	R179 A180 A181 L185 Q186 S192	R179-T183 WeakPolarHBondContact O-CB 3.46Å; R179-T183 PolarHBondContact O-N 2.89Å; R179-T183 PolarHBondContact O-OG1 2.92Å; A180-T183 WeakPolarHBondContact O-CB 3.18Å; A180-T183 PolarHBondContact O-N 3.17Å; A181-T183 VanDerWaalsContact C-N 3.33Å; A181-T183 PolarHBondContact O-N 3.16Å; T183-L185 PolarHBondContact O-N 2.66Å; T183-Q186 PolarHBondContact O-N 3.24Å; T183-S192 VanDerWaalsContact CG2-O 3.25Å; T183-S192 WeakPolarHBondContact CG2-O 3.13Å
184	F	87.3	Confident	87.3	Confident	51 Å²	51	51.6 Å²	51.6	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-21.3	176.8	-63.6	-38.9	0	0	0	113.5	A180 A181 L182 F193 V200 A437	A180-F184 HydrophobicContact CB-CE2 4.4Å; A180-F184 WeakPolarHBondContact O-CD2 3.3Å; A180-F184 WeakPolarHBondContact O-CG 3.36Å; A180-F184 PolarHBondContact O-N 3.42Å; A181-F184 WeakPolarHBondContact O-CB 3.26Å; A181-F184 PolarHBondContact O-N 3.41Å; A181-F184 VanDerWaalsContact O-N 3.16Å; L182-F184 VanDerWaalsContact C-N 3.29Å; L182-F184 PolarHBondContact O-N 3.28Å; F184-F193 HydrophobicContact CD1-CD2 4.25Å; F184-F193 AromaticContact CE1-CD2 3.92Å; F184-F193 HydrophobicContact CE1-CD2 3.92Å; F184-F193 HydrophobicContact CE1-CE2 4.36Å; F184-V200 HydrophobicContact CE2-CG2 4.47Å; F184-A437 HydrophobicContact CB-CB 4.11Å; F184-A437 VanDerWaalsContact O-CA 3.29Å; F184-A437 WeakPolarHBondContact O-CA 3.39Å; F184-A437 PolarHBondContact O-N 3.01Å
185	L	83.6	Confident	87	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-89.7	-32.2	175.2	-63.7	-160.9	0	0	0	113.8	M126 F129 I134 A181 L182 T183 I436	M126-L185 HydrophobicContact CE-CD1 4.09Å; M126-L185 HydrophobicContact SD-CD1 3.25Å; M126-L185 WeakPolarHBondContact SD-CD1 3.39Å; M126-L185 HydrophobicContact SD-CG 4.17Å; F129-L185 HydrophobicContact CD2-CD1 4.27Å; F129-L185 HydrophobicContact CE2-CD1 4.05Å; F129-L185 HydrophobicContact CE2-CD2 3.81Å; F129-L185 HydrophobicContact CE2-CG 4.43Å; I134-L185 HydrophobicContact CD1-CB 4.27Å; I134-L185 HydrophobicContact CD1-CD1 4.28Å; I134-L185 HydrophobicContact CG2-CB 4.36Å; A181-L185 PolarHBondContact O-N 2.84Å; L182-L185 PolarHBondContact O-N 3.29Å; L182-L185 VanDerWaalsContact O-N 3.07Å; T183-L185 PolarHBondContact O-N 2.66Å; L185-I436 HydrophobicContact CD2-CG2 3.54Å
186	Q	80.3	Confident	86.6	Confident	87 Å²	87	56.3 Å²	56.3	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-38	-173.4	-79.8	175.7	-5.7	0	0	113.8	I134 L182 T183	I134-Q186 HydrophobicContact CG2-CG 3.33Å; I134-Q186 PolarHBondContact O-NE2 3.41Å; I134-Q186 VanDerWaalsContact O-NE2 3.15Å; L182-Q186 VanDerWaalsContact O-CG 3.31Å; L182-Q186 WeakPolarHBondContact O-CG 3.37Å; L182-Q186 PolarHBondContact O-N 3.36Å; T183-Q186 PolarHBondContact O-N 3.24Å
187	D	71.7	Confident	86.3	Confident	65 Å²	65	57.8 Å²	57.8	35%	0.348	30%	0.295	S	S	.	.			trans	-146.5	134.8	-166.8	-170.2	-5.9	0	0	0	111.7	N189 S192	D187-N189 VanDerWaalsContact C-N 3.34Å; D187-N189 VanDerWaalsContact OD1-CG 3.3Å; D187-N189 PolarHBondContact OD1-N 3.15Å; D187-N189 VanDerWaalsContact OD1-N 3.14Å; D187-N189 PolarHBondContact OD1-ND2 3.49Å; D187-N189 VanDerWaalsContact OD1-ND2 3.09Å; D187-N189 VanDerWaalsContact OD2-CG 3.27Å; D187-N189 PolarHBondContact OD2-ND2 3.32Å; D187-S192 WeakPolarHBondContact CB-OG 3.41Å; D187-S192 PolarHBondContact OD2-OG 3.47Å
188	E	72.7	Confident	86.2	Confident	96 Å²	96	58.4 Å²	58.4	45%	0.449	30%	0.297	S	S	.	.			trans	-86.2	-5.7	-175.7	-67.6	-173.8	-166.9	0	0	113.4	K435	E188-K435 WeakPolarHBondContact OE1-CB 3.43Å; E188-K435 WeakPolarHBondContact OE2-CD 3.15Å; E188-K435 IonicContact OE2-NZ 3.29Å; E188-K435 PolarHBondContact OE2-NZ 2.93Å
189	N	81	Confident	86.1	Confident	67 Å²	67	58.5 Å²	58.5	36%	0.358	30%	0.297	S	S	.	.	S	Bend	trans	-78.6	157.2	-174	73.6	39.5	0	0	0	113.7	D187 I191 S192 F193	D187-N189 VanDerWaalsContact C-N 3.34Å; D187-N189 VanDerWaalsContact OD1-CG 3.3Å; D187-N189 PolarHBondContact OD1-N 3.15Å; D187-N189 VanDerWaalsContact OD1-N 3.14Å; D187-N189 PolarHBondContact OD1-ND2 3.49Å; D187-N189 VanDerWaalsContact OD1-ND2 3.09Å; D187-N189 VanDerWaalsContact OD2-CG 3.27Å; D187-N189 PolarHBondContact OD2-ND2 3.32Å; N189-I191 PolarHBondContact O-N 3.44Å; N189-I191 PolarHBondContact OD1-N 3.22Å; N189-S192 PolarHBondContact O-N 3.02Å; N189-S192 WeakPolarHBondContact OD1-CB 3.2Å; N189-S192 PolarHBondContact OD1-N 2.97Å; N189-S192 PolarHBondContact OD1-OG 3.1Å; N189-F193 PolarHBondContact O-N 3.07Å
190	M	77.1	Confident	86.1	Confident	134 Å²	134	57.7 Å²	57.7	66%	0.66	30%	0.298	S	S	*	.	H	α-helix	trans	-60.6	-31.9	-178.9	-173.1	62.6	68.7	0	0	112.6	F193 I194	M190-F193 WeakPolarHBondContact O-CB 3.47Å; M190-F193 PolarHBondContact O-N 3.03Å; M190-F193 HydrophobicContact SD-CD1 4.36Å; M190-I194 HydrophobicContact CG-CD1 4.09Å; M190-I194 WeakPolarHBondContact O-CG1 3.26Å; M190-I194 PolarHBondContact O-N 2.82Å
191	I	83.8	Confident	86.1	Confident	103 Å²	103	63.1 Å²	63.1	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-45.9	-179.1	-63.5	174.2	0	0	0	110	N189 F193 I194 K195	N189-I191 PolarHBondContact O-N 3.44Å; N189-I191 PolarHBondContact OD1-N 3.22Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.14Å; I191-I194 PolarHBondContact O-N 3.31Å; I191-K195 HydrophobicContact CG2-CD 4.04Å; I191-K195 HydrophobicContact CG2-CG 4.41Å; I191-K195 WeakPolarHBondContact O-CB 3.43Å; I191-K195 WeakPolarHBondContact O-CG 3.34Å; I191-K195 PolarHBondContact O-N 3.03Å
192	S	83.9	Confident	86.2	Confident	14 Å²	14	64.5 Å²	64.5	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-37.9	176.6	-68.6	0	0	0	0	111.3	T183 D187 N189 K195 G196	T183-S192 VanDerWaalsContact CG2-O 3.25Å; T183-S192 WeakPolarHBondContact CG2-O 3.13Å; D187-S192 WeakPolarHBondContact CB-OG 3.41Å; D187-S192 PolarHBondContact OD2-OG 3.47Å; N189-S192 PolarHBondContact O-N 3.02Å; N189-S192 WeakPolarHBondContact OD1-CB 3.2Å; N189-S192 PolarHBondContact OD1-N 2.97Å; N189-S192 PolarHBondContact OD1-OG 3.1Å; S192-K195 PolarHBondContact O-N 3.31Å; S192-G196 PolarHBondContact O-N 2.95Å
193	F	83.4	Confident	86.4	Confident	113 Å²	113	64.4 Å²	64.4	50%	0.496	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-47	171.6	-175.2	-99.2	0	0	0	112.8	F184 N189 M190 I191 G196 G197	F184-F193 HydrophobicContact CD1-CD2 4.25Å; F184-F193 AromaticContact CE1-CD2 3.92Å; F184-F193 HydrophobicContact CE1-CD2 3.92Å; F184-F193 HydrophobicContact CE1-CE2 4.36Å; N189-F193 PolarHBondContact O-N 3.07Å; M190-F193 WeakPolarHBondContact O-CB 3.47Å; M190-F193 PolarHBondContact O-N 3.03Å; M190-F193 HydrophobicContact SD-CD1 4.36Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.14Å; F193-G196 PolarHBondContact O-N 3.04Å; F193-G197 PolarHBondContact O-N 3.27Å
194	I	86.8	Confident	86.7	Confident	94 Å²	94	64 Å²	64	48%	0.482	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-46	177.3	-67.1	164.9	0	0	0	110.8	M190 I191 G196 G197 I198	M190-I194 HydrophobicContact CG-CD1 4.09Å; M190-I194 WeakPolarHBondContact O-CG1 3.26Å; M190-I194 PolarHBondContact O-N 2.82Å; I191-I194 PolarHBondContact O-N 3.31Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.26Å; I194-G197 PolarHBondContact O-N 3.25Å; I194-G197 VanDerWaalsContact O-N 3.17Å; I194-I198 HydrophobicContact CG2-CD1 3.98Å; I194-I198 HydrophobicContact CG2-CG1 4.5Å; I194-I198 WeakPolarHBondContact O-CG1 3.47Å; I194-I198 PolarHBondContact O-N 3.06Å
195	K	88.9	Confident	87	Confident	118 Å²	118	65.2 Å²	65.2	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-43	177.5	-75.9	176.2	178.2	177	0	111.5	I191 S192 K199	I191-K195 HydrophobicContact CG2-CD 4.04Å; I191-K195 HydrophobicContact CG2-CG 4.41Å; I191-K195 WeakPolarHBondContact O-CB 3.43Å; I191-K195 WeakPolarHBondContact O-CG 3.34Å; I191-K195 PolarHBondContact O-N 3.03Å; S192-K195 PolarHBondContact O-N 3.31Å; K195-K199 WeakPolarHBondContact O-CG 3.24Å; K195-K199 PolarHBondContact O-N 3.41Å
196	G	90.9	Very high	87.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-47.7	173.9	0	0	0	0	0	111.8	S192 F193 I194 I198 K199 V200	S192-G196 PolarHBondContact O-N 2.95Å; F193-G196 PolarHBondContact O-N 3.04Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.26Å; G196-I198 VanDerWaalsContact C-N 3.34Å; G196-I198 PolarHBondContact O-N 3.08Å; G196-K199 WeakPolarHBondContact O-CB 3.45Å; G196-K199 PolarHBondContact O-N 2.88Å; G196-K199 VanDerWaalsContact O-N 3.1Å; G196-V200 WeakPolarHBondContact O-CG2 3.43Å; G196-V200 PolarHBondContact O-N 3.38Å
197	G	90.1	Very high	88.3	Confident	35 Å²	35	60.6 Å²	60.6	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-40.4	177.6	0	0	0	0	0	114	F193 I194 K199 V200 R201	F193-G197 PolarHBondContact O-N 3.27Å; I194-G197 PolarHBondContact O-N 3.25Å; I194-G197 VanDerWaalsContact O-N 3.17Å; G197-K199 VanDerWaalsContact C-N 3.35Å; G197-K199 PolarHBondContact O-N 3.48Å; G197-V200 PolarHBondContact O-N 2.86Å; G197-R201 PolarHBondContact O-N 3.49Å
198	I	91.5	Very high	89.3	Confident	82 Å²	82	62.3 Å²	62.3	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-41.9	175.2	-67.9	167.6	0	0	0	111	I194 G196 R201 N202	I194-I198 HydrophobicContact CG2-CD1 3.98Å; I194-I198 HydrophobicContact CG2-CG1 4.5Å; I194-I198 WeakPolarHBondContact O-CG1 3.47Å; I194-I198 PolarHBondContact O-N 3.06Å; G196-I198 VanDerWaalsContact C-N 3.34Å; G196-I198 PolarHBondContact O-N 3.08Å; I198-R201 PolarHBondContact O-N 2.98Å; I198-N202 VanDerWaalsContact O-CG 3.27Å; I198-N202 PolarHBondContact O-N 3.02Å; I198-N202 PolarHBondContact O-OD1 3.03Å
199	K	94.5	Very high	90.2	Very high	37 Å²	37	61.5 Å²	61.5	16%	0.161	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-43.5	178	-67.6	176.4	-163.3	-48.7	0	112.1	L176 R179 A180 K195 G196 G197 R201 N202 S203	L176-K199 HydrophobicContact CD2-CB 4.18Å; L176-K199 HydrophobicContact CD2-CG 4.07Å; L176-K199 WeakPolarHBondContact O-CB 3.18Å; R179-K199 HydrophobicContact CB-CD 4.01Å; A180-K199 HydrophobicContact CB-CB 3.92Å; K195-K199 WeakPolarHBondContact O-CG 3.24Å; K195-K199 PolarHBondContact O-N 3.41Å; G196-K199 WeakPolarHBondContact O-CB 3.45Å; G196-K199 PolarHBondContact O-N 2.88Å; G196-K199 VanDerWaalsContact O-N 3.1Å; G197-K199 VanDerWaalsContact C-N 3.35Å; G197-K199 PolarHBondContact O-N 3.48Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.27Å; K199-N202 PolarHBondContact O-N 3.29Å; K199-S203 WeakPolarHBondContact O-CB 3.4Å; K199-S203 PolarHBondContact O-N 3.47Å
200	V	94.1	Very high	90.9	Very high	33 Å²	33	58.5 Å²	58.5	20%	0.2	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-45.9	175	176.8	0	0	0	0	110.6	L177 A180 F184 G196 G197 S203 Y204 F239 F259	L177-V200 HydrophobicContact CD1-CG2 4.42Å; A180-V200 HydrophobicContact CB-CG2 3.62Å; F184-V200 HydrophobicContact CE2-CG2 4.47Å; G196-V200 WeakPolarHBondContact O-CG2 3.43Å; G196-V200 PolarHBondContact O-N 3.38Å; G197-V200 PolarHBondContact O-N 2.86Å; V200-S203 PolarHBondContact O-N 3.2Å; V200-Y204 WeakPolarHBondContact O-CB 3.25Å; V200-Y204 PolarHBondContact O-N 2.97Å; V200-F239 HydrophobicContact CG1-CE1 3.82Å; V200-F239 HydrophobicContact CG1-CZ 4.36Å; V200-F259 HydrophobicContact CG1-CE1 4.43Å; V200-F259 HydrophobicContact CG1-CZ 4.37Å
201	R	92.9	Very high	91.7	Very high	115 Å²	115	53.3 Å²	53.3	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-46.8	177.3	-178.9	-177.5	175.7	-179.3	2.8	112.4	G197 I198 K199 S203 Y204 Q205 F259	G197-R201 PolarHBondContact O-N 3.49Å; I198-R201 PolarHBondContact O-N 2.98Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.27Å; R201-S203 VanDerWaalsContact C-N 3.34Å; R201-Y204 PolarHBondContact O-N 3.33Å; R201-Q205 WeakPolarHBondContact O-CG 3.37Å; R201-Q205 PolarHBondContact O-N 3.25Å; R201-F259 HydrophobicContact CB-CE2 4.24Å; R201-F259 HydrophobicContact CB-CZ 3.89Å; R201-F259 HydrophobicContact CG-CE2 4.33Å; R201-F259 HydrophobicContact CG-CZ 4.28Å
202	N	94.2	Very high	92.1	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-43.2	-179.6	-69.1	2.8	0	0	0	110.9	L176 I198 K199 Y204 Q205 T206	L176-N202 HydrophobicContact CD1-CB 3.74Å; I198-N202 VanDerWaalsContact O-CG 3.27Å; I198-N202 PolarHBondContact O-N 3.02Å; I198-N202 PolarHBondContact O-OD1 3.03Å; K199-N202 PolarHBondContact O-N 3.29Å; N202-Y204 PolarHBondContact O-N 3.42Å; N202-Q205 PolarHBondContact O-N 3.15Å; N202-T206 PolarHBondContact O-N 3.09Å; N202-T206 PolarHBondContact O-OG1 3.48Å; N202-T206 VanDerWaalsContact O-OG1 3.08Å
203	S	96.3	Very high	92.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-48.2	174.6	-178.7	0	0	0	0	111.5	A173 K199 V200 R201 Q205 T206 Y207	A173-S203 WeakPolarHBondContact O-CB 3.4Å; A173-S203 PolarHBondContact O-OG 2.99Å; K199-S203 WeakPolarHBondContact O-CB 3.4Å; K199-S203 PolarHBondContact O-N 3.47Å; V200-S203 PolarHBondContact O-N 3.2Å; R201-S203 VanDerWaalsContact C-N 3.34Å; S203-Q205 PolarHBondContact O-N 3.12Å; S203-T206 PolarHBondContact O-N 3.5Å; S203-Y207 VanDerWaalsContact O-CD2 3.25Å; S203-Y207 WeakPolarHBondContact O-CD2 3.29Å; S203-Y207 PolarHBondContact O-N 2.77Å
204	Y	95.2	Very high	92.7	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-43.4	177.3	174.9	-109.1	0	0	0	113	V200 R201 N202 Y207 K208 F239 I243 G258 F259 S260	V200-Y204 WeakPolarHBondContact O-CB 3.25Å; V200-Y204 PolarHBondContact O-N 2.97Å; R201-Y204 PolarHBondContact O-N 3.33Å; N202-Y204 PolarHBondContact O-N 3.42Å; Y204-Y207 PolarHBondContact O-N 3.2Å; Y204-K208 HydrophobicContact CD1-CD 4.24Å; Y204-K208 HydrophobicContact CE1-CD 3.54Å; Y204-K208 HydrophobicContact CE1-CG 4.36Å; Y204-K208 HydrophobicContact CE2-CD 4.17Å; Y204-K208 HydrophobicContact CE2-CG 4.3Å; Y204-K208 PolarHBondContact O-N 3.17Å; Y204-F239 HydrophobicContact CD2-CB 3.77Å; Y204-F239 AromaticContact CD2-CD1 3.71Å; Y204-F239 HydrophobicContact CD2-CD1 3.71Å; Y204-F239 HydrophobicContact CD2-CD2 4.06Å; Y204-F239 HydrophobicContact CD2-CE1 4.3Å; Y204-F239 AromaticContact CD2-CG 3.58Å; Y204-F239 HydrophobicContact CD2-CG 3.58Å; Y204-F239 HydrophobicContact CE2-CB 4.11Å; Y204-F239 HydrophobicContact CE2-CG 4.41Å; Y204-F239 HydrophobicContact CG-CD1 4.28Å; Y204-F239 HydrophobicContact CG-CE1 4.45Å; Y204-F239 HydrophobicContact CG-CG 4.44Å; Y204-I243 HydrophobicContact CD2-CD1 4.34Å; Y204-I243 HydrophobicContact CE2-CD1 3.99Å; Y204-G258 WeakPolarHBondContact CE1-O 3.45Å; Y204-F259 AromaticContact CD1-CD1 3.46Å; Y204-F259 HydrophobicContact CD1-CD1 3.46Å; Y204-F259 VanDerWaalsContact CD1-CD1 3.46Å; Y204-F259 AromaticContact CD1-CE1 3.6Å; Y204-F259 HydrophobicContact CD1-CE1 3.6Å; Y204-F259 HydrophobicContact CD1-CG 4.23Å; Y204-F259 HydrophobicContact CD1-CZ 4.43Å; Y204-F259 HydrophobicContact CD2-CD1 4.07Å; Y204-F259 HydrophobicContact CD2-CE1 4.26Å; Y204-F259 HydrophobicContact CE1-CB 4.41Å; Y204-F259 AromaticContact CE1-CD1 3.69Å; Y204-F259 HydrophobicContact CE1-CD1 3.69Å; Y204-F259 HydrophobicContact CE1-CE1 4.31Å; Y204-F259 HydrophobicContact CE1-CG 4.17Å; Y204-F259 HydrophobicContact CE2-CD1 4.26Å; Y204-F259 AromaticContact CG-CD1 3.65Å; Y204-F259 HydrophobicContact CG-CD1 3.65Å; Y204-F259 AromaticContact CG-CE1 3.56Å; Y204-F259 HydrophobicContact CG-CE1 3.56Å; Y204-S260 PolarHBondContact OH-N 2.87Å; Y204-S260 PolarHBondContact OH-O 3.41Å; Y204-S260 PolarHBondContact OH-OG 3.46Å; Y204-S260 VanDerWaalsContact OH-OG 3.06Å
205	Q	93.5	Very high	92.8	Very high	76 Å²	76	51.2 Å²	51.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-45.6	177.2	-74	179.9	-14.9	0	0	111.6	R201 N202 S203 Y207 K208 E209	R201-Q205 WeakPolarHBondContact O-CG 3.37Å; R201-Q205 PolarHBondContact O-N 3.25Å; N202-Q205 PolarHBondContact O-N 3.15Å; S203-Q205 PolarHBondContact O-N 3.12Å; Q205-Y207 VanDerWaalsContact C-N 3.34Å; Q205-Y207 PolarHBondContact O-N 3.05Å; Q205-K208 PolarHBondContact O-N 2.68Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; Q205-E209 WeakPolarHBondContact O-CG 3.44Å; Q205-E209 PolarHBondContact O-N 3.14Å
206	T	94.9	Very high	92.7	Very high	13 Å²	13	48 Å²	48	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-45.9	175.5	-57.8	0	0	0	0	111.2	E169 A173 N202 S203 K208 E209 L210	E169-T206 HydrophobicContact CB-CG2 4.3Å; A173-T206 HydrophobicContact CB-CG2 3.9Å; N202-T206 PolarHBondContact O-N 3.09Å; N202-T206 PolarHBondContact O-OG1 3.48Å; N202-T206 VanDerWaalsContact O-OG1 3.08Å; S203-T206 PolarHBondContact O-N 3.5Å; T206-K208 PolarHBondContact O-N 3.29Å; T206-E209 PolarHBondContact O-N 3.48Å; T206-L210 HydrophobicContact CG2-CD1 4.01Å; T206-L210 HydrophobicContact CG2-CG 4.28Å; T206-L210 VanDerWaalsContact O-CG 3.3Å; T206-L210 WeakPolarHBondContact O-CG 3.39Å; T206-L210 PolarHBondContact O-N 3Å
207	Y	96.4	Very high	91.8	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-36.8	177.1	-80.7	-63.2	0	0	0	113.8	V170 A173 E174 S203 Y204 Q205 E209 L210 H211 G231 F239	V170-Y207 HydrophobicContact CG1-CE1 4.48Å; A173-Y207 HydrophobicContact CB-CD2 4.02Å; A173-Y207 HydrophobicContact CB-CE1 4.48Å; A173-Y207 HydrophobicContact CB-CE2 3.63Å; E174-Y207 WeakPolarHBondContact CG-OH 3.17Å; S203-Y207 VanDerWaalsContact O-CD2 3.25Å; S203-Y207 WeakPolarHBondContact O-CD2 3.29Å; S203-Y207 PolarHBondContact O-N 2.77Å; Y204-Y207 PolarHBondContact O-N 3.2Å; Q205-Y207 VanDerWaalsContact C-N 3.34Å; Q205-Y207 PolarHBondContact O-N 3.05Å; Y207-E209 VanDerWaalsContact C-N 3.34Å; Y207-L210 PolarHBondContact O-N 3.04Å; Y207-H211 VanDerWaalsContact O-CB 3.32Å; Y207-H211 WeakPolarHBondContact O-CB 3.3Å; Y207-H211 PolarHBondContact O-N 3.11Å; Y207-G231 WeakPolarHBondContact CE1-O 3.35Å; Y207-F239 AromaticContact CD2-CD2 3.99Å; Y207-F239 HydrophobicContact CD2-CD2 3.99Å; Y207-F239 AromaticContact CD2-CE2 3.69Å; Y207-F239 HydrophobicContact CD2-CE2 3.69Å; Y207-F239 HydrophobicContact CE2-CE2 4.14Å
208	K	93.6	Very high	90.8	Very high	101 Å²	101	56.6 Å²	56.6	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-41	174.1	-77.6	-172.6	63.8	166.7	0	112.3	Y204 Q205 T206 T212	Y204-K208 HydrophobicContact CD1-CD 4.24Å; Y204-K208 HydrophobicContact CE1-CD 3.54Å; Y204-K208 HydrophobicContact CE1-CG 4.36Å; Y204-K208 HydrophobicContact CE2-CD 4.17Å; Y204-K208 HydrophobicContact CE2-CG 4.3Å; Y204-K208 PolarHBondContact O-N 3.17Å; Q205-K208 PolarHBondContact O-N 2.68Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; T206-K208 PolarHBondContact O-N 3.29Å; K208-T212 PolarHBondContact O-N 3.2Å; K208-T212 VanDerWaalsContact O-N 3.14Å; K208-T212 PolarHBondContact O-OG1 3.27Å
209	E	92.2	Very high	90	Very high	80 Å²	80	53.4 Å²	53.4	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-48.8	176.4	-70.8	174.2	-173.4	0	0	110.7	Q205 T206 Y207 H211 T212 V213	Q205-E209 WeakPolarHBondContact O-CG 3.44Å; Q205-E209 PolarHBondContact O-N 3.14Å; T206-E209 PolarHBondContact O-N 3.48Å; Y207-E209 VanDerWaalsContact C-N 3.34Å; E209-H211 VanDerWaalsContact C-N 3.29Å; E209-H211 PolarHBondContact O-N 3.22Å; E209-T212 WeakPolarHBondContact O-CA 3.43Å; E209-T212 WeakPolarHBondContact O-CB 3.5Å; E209-T212 PolarHBondContact O-N 3.28Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.49Å
210	L	93.9	Very high	88.9	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-35.7	178.1	-66	177.9	0	0	0	112.8	L166 E169 V170 T206 Y207 T212 V213 L214 F228 V232	L166-L210 HydrophobicContact CD2-CD2 4.11Å; E169-L210 HydrophobicContact CB-CD1 3.96Å; E169-L210 HydrophobicContact CB-CD2 3.84Å; E169-L210 HydrophobicContact CB-CG 4.35Å; E169-L210 HydrophobicContact CG-CD2 4.39Å; V170-L210 HydrophobicContact CB-CD1 4.46Å; V170-L210 HydrophobicContact CG2-CD1 3.61Å; T206-L210 HydrophobicContact CG2-CD1 4.01Å; T206-L210 HydrophobicContact CG2-CG 4.28Å; T206-L210 VanDerWaalsContact O-CG 3.3Å; T206-L210 WeakPolarHBondContact O-CG 3.39Å; T206-L210 PolarHBondContact O-N 3Å; Y207-L210 PolarHBondContact O-N 3.04Å; L210-T212 VanDerWaalsContact C-N 3.3Å; L210-T212 PolarHBondContact O-N 3.23Å; L210-V213 PolarHBondContact O-N 2.88Å; L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 PolarHBondContact O-N 3.49Å; L210-F228 HydrophobicContact CB-CE2 4.42Å; L210-F228 HydrophobicContact CB-CZ 4.44Å; L210-F228 HydrophobicContact CD1-CE2 4.42Å; L210-F228 HydrophobicContact CD2-CE2 4.03Å; L210-F228 HydrophobicContact CD2-CZ 4.34Å; L210-V232 HydrophobicContact CB-CG1 4.46Å; L210-V232 HydrophobicContact CB-CG2 3.78Å; L210-V232 HydrophobicContact CD1-CG2 4.44Å
211	H	93.9	Very high	88.4	Confident	25 Å²	25	60.6 Å²	60.6	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-35.5	172.6	-166.8	56.7	0	0	0	112.8	Y207 E209 K215 V232 V236 F265 Q269	Y207-H211 VanDerWaalsContact O-CB 3.32Å; Y207-H211 WeakPolarHBondContact O-CB 3.3Å; Y207-H211 PolarHBondContact O-N 3.11Å; E209-H211 VanDerWaalsContact C-N 3.29Å; E209-H211 PolarHBondContact O-N 3.22Å; H211-K215 VanDerWaalsContact NE2-CE 3.3Å; H211-K215 WeakPolarHBondContact NE2-CE 3.48Å; H211-K215 PolarHBondContact NE2-NZ 3.04Å; H211-K215 WeakPolarHBondContact O-CG 3.44Å; H211-K215 PolarHBondContact O-N 3.34Å; H211-V232 HydrophobicContact CB-CG1 4.03Å; H211-V236 HydrophobicContact CB-CG2 3.83Å; H211-F265 AromaticContact CE1-CZ 3.99Å; H211-F265 AromaticContact NE2-CZ 3.54Å; H211-Q269 PolarHBondContact CE1-OE1 3.33Å
212	T	92.1	Very high	87.9	Confident	78 Å²	78	56.4 Å²	56.4	48%	0.479	32%	0.316	S	S	.	.	H	α-helix	trans	-69.6	-40.5	175.4	-54.4	0	0	0	0	110.6	K208 E209 L210 K215 S216	K208-T212 PolarHBondContact O-N 3.2Å; K208-T212 VanDerWaalsContact O-N 3.14Å; K208-T212 PolarHBondContact O-OG1 3.27Å; E209-T212 WeakPolarHBondContact O-CA 3.43Å; E209-T212 WeakPolarHBondContact O-CB 3.5Å; E209-T212 PolarHBondContact O-N 3.28Å; L210-T212 VanDerWaalsContact C-N 3.3Å; L210-T212 PolarHBondContact O-N 3.23Å; T212-K215 PolarHBondContact O-N 2.72Å; T212-S216 PolarHBondContact O-N 2.69Å
213	V	90.7	Very high	87.5	Confident	23 Å²	23	60.9 Å²	60.9	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-47.4	173.8	175	0	0	0	0	110.8	F161 L166 E209 L210 K215 S216 Y219	F161-V213 HydrophobicContact CD2-CG1 4.49Å; F161-V213 HydrophobicContact CD2-CG2 4.35Å; F161-V213 HydrophobicContact CE2-CG2 3.96Å; L166-V213 HydrophobicContact CD2-CG1 4.02Å; E209-V213 WeakPolarHBondContact O-CG2 3.43Å; E209-V213 PolarHBondContact O-N 3.49Å; L210-V213 PolarHBondContact O-N 2.88Å; V213-K215 PolarHBondContact O-N 2.73Å; V213-S216 WeakPolarHBondContact O-CB 3.44Å; V213-S216 PolarHBondContact O-N 2.95Å; V213-S216 PolarHBondContact O-OG 2.96Å; V213-Y219 HydrophobicContact CG1-CD1 3.71Å; V213-Y219 HydrophobicContact CG1-CE1 4.26Å; V213-Y219 HydrophobicContact CG1-CG 3.96Å; V213-Y219 VanDerWaalsContact O-CD1 3.25Å; V213-Y219 WeakPolarHBondContact O-CD1 3.42Å; V213-Y219 WeakPolarHBondContact O-CE1 3.39Å
214	L	90.1	Very high	87.2	Confident	30 Å²	30	61.2 Å²	61.2	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-33	177.9	-177.1	65.3	0	0	0	112.6	L210 Y219 F228 E229 V232	L210-L214 WeakPolarHBondContact O-CB 3.24Å; L210-L214 PolarHBondContact O-N 3.49Å; L214-Y219 WeakPolarHBondContact CD1-OH 3.43Å; L214-F228 HydrophobicContact CB-CE1 4.48Å; L214-F228 HydrophobicContact CD1-CD1 4.46Å; L214-F228 HydrophobicContact CD1-CE1 4.08Å; L214-E229 HydrophobicContact CD1-CB 4.03Å; L214-E229 HydrophobicContact CD1-CG 3.99Å; L214-E229 HydrophobicContact CD2-CG 4.06Å; L214-V232 HydrophobicContact CD2-CB 4.16Å; L214-V232 HydrophobicContact CD2-CG1 3.94Å
215	K	88.8	Confident	87	Confident	148 Å²	148	62.2 Å²	62.2	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.1	175.8	-71.4	-178.3	174.5	-174	0	114.4	H211 T212 V213	H211-K215 VanDerWaalsContact NE2-CE 3.3Å; H211-K215 WeakPolarHBondContact NE2-CE 3.48Å; H211-K215 PolarHBondContact NE2-NZ 3.04Å; H211-K215 WeakPolarHBondContact O-CG 3.44Å; H211-K215 PolarHBondContact O-N 3.34Å; T212-K215 PolarHBondContact O-N 2.72Å; V213-K215 PolarHBondContact O-N 2.73Å
216	S	86.5	Confident	86.9	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	34%	0.342	S	S	.	.	S	Bend	trans	-83.4	148.9	-179.2	77.6	0	0	0	0	111	T212 V213 G218	T212-S216 PolarHBondContact O-N 2.69Å; V213-S216 WeakPolarHBondContact O-CB 3.44Å; V213-S216 PolarHBondContact O-N 2.95Å; V213-S216 PolarHBondContact O-OG 2.96Å; S216-G218 PolarHBondContact O-N 3.16Å
217	T	73.5	Confident	86.9	Confident	156 Å²	156	60.6 Å²	60.6	96%	0.957	35%	0.345	S	S	*	.	S	Bend	trans	-81.2	1.6	176.9	51.4	0	0	0	0	113.5
218	G	67.5	Low	86.7	Confident	58 Å²	58	60.4 Å²	60.4	60%	0.598	34%	0.344	S	S	*	.			trans	-105.9	4.9	-159.5	0	0	0	0	0	116.8	S216	S216-G218 PolarHBondContact O-N 3.16Å
219	Y	75.8	Confident	86.8	Confident	15 Å²	15	57.8 Å²	57.8	6%	0.059	33%	0.333	C	S	.	.	S	Bend	trans	-115.5	153.9	176.7	80.5	-81.9	0	0	0	111.6	L166 V213 L214 H221 H225 F228	L166-Y219 HydrophobicContact CD1-CD2 3.55Å; L166-Y219 HydrophobicContact CD1-CE2 3.99Å; L166-Y219 HydrophobicContact CD1-CG 4.32Å; V213-Y219 HydrophobicContact CG1-CD1 3.71Å; V213-Y219 HydrophobicContact CG1-CE1 4.26Å; V213-Y219 HydrophobicContact CG1-CG 3.96Å; V213-Y219 VanDerWaalsContact O-CD1 3.25Å; V213-Y219 WeakPolarHBondContact O-CD1 3.42Å; V213-Y219 WeakPolarHBondContact O-CE1 3.39Å; L214-Y219 WeakPolarHBondContact CD1-OH 3.43Å; Y219-H221 AromaticContact CZ-CE1 3.76Å; Y219-H221 PolarHBondContact OH-CE1 3.16Å; Y219-H221 VanDerWaalsContact OH-CE1 3.23Å; Y219-H225 AromaticContact CE2-ND1 3.9Å; Y219-H225 AromaticContact CZ-CE1 3.88Å; Y219-H225 PolarHBondContact OH-CE1 2.67Å; Y219-H225 PolarHBondContact OH-ND1 3.32Å; Y219-F228 HydrophobicContact CE2-CD1 4.48Å; Y219-F228 HydrophobicContact CE2-CE1 4.24Å
220	T	71.1	Confident	86.9	Confident	106 Å²	106	54 Å²	54	65%	0.65	32%	0.315	S	S	*	.			trans	-83	124.9	-173.6	-25.8	0	0	0	0	110.2	G222	T220-G222 PolarHBondContact O-N 3.36Å
221	H	82.8	Confident	87	Confident	115 Å²	115	53.8 Å²	53.8	53%	0.532	31%	0.314	S	S	.	.			trans	-78.9	105.7	169.9	-62.3	-96.6	0	0	0	108.5	Y219 H225	Y219-H221 AromaticContact CZ-CE1 3.76Å; Y219-H221 PolarHBondContact OH-CE1 3.16Å; Y219-H221 VanDerWaalsContact OH-CE1 3.23Å; H221-H225 HydrophobicContact CB-CB 4.26Å; H221-H225 AromaticContact CE1-CD2 3.87Å; H221-H225 AromaticContact CE1-CE1 3.72Å; H221-H225 AromaticContact CE1-NE2 3.39Å; H221-H225 PolarHBondContact CE1-NE2 3.21Å; H221-H225 AromaticContact ND1-CD2 3.03Å; H221-H225 PolarHBondContact ND1-CD2 2.82Å; H221-H225 AromaticContact ND1-CE1 3.38Å; H221-H225 PolarHBondContact ND1-CE1 2.86Å; H221-H225 AromaticContact ND1-CG 3.27Å; H221-H225 VanDerWaalsContact ND1-CG 3.27Å; H221-H225 AromaticContact ND1-ND1 3.45Å; H221-H225 PolarHBondContact ND1-ND1 2.85Å; H221-H225 AromaticContact ND1-NE2 3.02Å; H221-H225 PolarHBondContact ND1-NE2 3.45Å
222	G	83.1	Confident	87.1	Confident	27 Å²	27	52.6 Å²	52.6	28%	0.278	31%	0.309	S	S	.	.			trans	-85.3	-178.2	170.4	0	0	0	0	0	112.3	E163 T220 N224 H225	E163-G222 VanDerWaalsContact OE1-CA 3.25Å; E163-G222 WeakPolarHBondContact OE1-CA 3.48Å; T220-G222 PolarHBondContact O-N 3.36Å; G222-N224 PolarHBondContact O-N 2.85Å; G222-N224 VanDerWaalsContact O-N 3.15Å; G222-H225 VanDerWaalsContact O-CB 3.31Å; G222-H225 WeakPolarHBondContact O-CB 3.36Å; G222-H225 PolarHBondContact O-N 3.23Å
223	D	85.9	Confident	87.4	Confident	156 Å²	156	49.5 Å²	49.5	83%	0.834	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.7	-176.1	-66.1	-25.7	0	0	0	113.3	E163	E163-D223 PolarHBondContact OE1-N 3.27Å
224	N	90	Very high	87.7	Confident	7 Å²	7	49 Å²	49	4%	0.037	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12	-177.3	-52.9	-78	0	0	0	112.7	L77 S78 L81 E163 H167 G222 G226 H227	L77-N224 HydrophobicContact CD2-CB 4.47Å; S78-N224 WeakPolarHBondContact CA-OD1 3.4Å; S78-N224 WeakPolarHBondContact CB-OD1 3.31Å; L81-N224 HydrophobicContact CD1-CB 3.8Å; E163-N224 VanDerWaalsContact OE1-CA 3.27Å; E163-N224 WeakPolarHBondContact OE1-CA 3.46Å; E163-N224 WeakPolarHBondContact OE1-CB 3.49Å; E163-N224 PolarHBondContact OE1-N 3.4Å; H167-N224 PolarHBondContact NE2-O 3.49Å; G222-N224 PolarHBondContact O-N 2.85Å; G222-N224 VanDerWaalsContact O-N 3.15Å; N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 3.02Å; N224-G226 VanDerWaalsContact O-N 3.14Å; N224-H227 WeakPolarHBondContact O-CB 3.36Å; N224-H227 PolarHBondContact O-N 2.93Å
225	H	90.7	Very high	88	Confident	31 Å²	31	47.8 Å²	47.8	14%	0.144	28%	0.28	C	S	.	.	H	α-helix	trans	-51.3	-40.5	-175.3	173.2	52	0	0	0	114.1	E163 Y219 H221 G222 H227 F228 E229	E163-H225 PolarHBondContact OE1-N 2.93Å; Y219-H225 AromaticContact CE2-ND1 3.9Å; Y219-H225 AromaticContact CZ-CE1 3.88Å; Y219-H225 PolarHBondContact OH-CE1 2.67Å; Y219-H225 PolarHBondContact OH-ND1 3.32Å; H221-H225 HydrophobicContact CB-CB 4.26Å; H221-H225 AromaticContact CE1-CD2 3.87Å; H221-H225 AromaticContact CE1-CE1 3.72Å; H221-H225 AromaticContact CE1-NE2 3.39Å; H221-H225 PolarHBondContact CE1-NE2 3.21Å; H221-H225 AromaticContact ND1-CD2 3.03Å; H221-H225 PolarHBondContact ND1-CD2 2.82Å; H221-H225 AromaticContact ND1-CE1 3.38Å; H221-H225 PolarHBondContact ND1-CE1 2.86Å; H221-H225 AromaticContact ND1-CG 3.27Å; H221-H225 VanDerWaalsContact ND1-CG 3.27Å; H221-H225 AromaticContact ND1-ND1 3.45Å; H221-H225 PolarHBondContact ND1-ND1 2.85Å; H221-H225 AromaticContact ND1-NE2 3.02Å; H221-H225 PolarHBondContact ND1-NE2 3.45Å; G222-H225 VanDerWaalsContact O-CB 3.31Å; G222-H225 WeakPolarHBondContact O-CB 3.36Å; G222-H225 PolarHBondContact O-N 3.23Å; H225-H227 VanDerWaalsContact C-N 3.25Å; H225-H227 PolarHBondContact O-N 3.37Å; H225-F228 AromaticContact ND1-CD1 3.89Å; H225-F228 WeakPolarHBondContact O-CB 3.4Å; H225-F228 PolarHBondContact O-N 2.76Å; H225-E229 IonicContact NE2-OE2 2.66Å; H225-E229 PolarHBondContact NE2-OE2 2.86Å; H225-E229 PolarHBondContact O-N 3.01Å
226	G	92.2	Very high	88.4	Confident	25 Å²	25	41.2 Å²	41.2	26%	0.258	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-35	177.8	0	0	0	0	0	113	N224 F228 E229 G230 T278	N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 3.02Å; N224-G226 VanDerWaalsContact O-N 3.14Å; G226-F228 VanDerWaalsContact C-N 3.35Å; G226-F228 PolarHBondContact O-N 2.73Å; G226-E229 PolarHBondContact O-N 3.34Å; G226-G230 PolarHBondContact O-N 3.48Å; G226-T278 VanDerWaalsContact O-CG2 3.29Å; G226-T278 WeakPolarHBondContact O-CG2 3.46Å
227	H	93.4	Very high	88.9	Confident	29 Å²	29	38.7 Å²	38.7	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-34	175.8	-71	-84.8	0	0	0	113.2	L81 M85 N224 H225 G231 F279	L81-H227 HydrophobicContact CD1-CB 4.13Å; L81-H227 HydrophobicContact CD2-CB 4.25Å; M85-H227 VanDerWaalsContact SD-CE1 3.56Å; N224-H227 WeakPolarHBondContact O-CB 3.36Å; N224-H227 PolarHBondContact O-N 2.93Å; H225-H227 VanDerWaalsContact C-N 3.25Å; H225-H227 PolarHBondContact O-N 3.37Å; H227-G231 PolarHBondContact O-N 3.43Å; H227-F279 PolarHBondContact CE1-N 3.41Å; H227-F279 VanDerWaalsContact CE1-N 3.32Å; H227-F279 WeakPolarHBondContact ND1-CB 3.46Å; H227-F279 PolarHBondContact ND1-N 3.21Å; H227-F279 VanDerWaalsContact ND1-N 3.16Å
228	F	93.9	Very high	90	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-52.8	172	164.7	-109.6	0	0	0	110.8	L166 H167 V170 L210 L214 Y219 H225 G226 G230 G231 V232	L166-F228 HydrophobicContact CB-CD2 3.74Å; L166-F228 HydrophobicContact CB-CE2 3.75Å; L166-F228 HydrophobicContact CB-CG 4.27Å; L166-F228 HydrophobicContact CB-CZ 4.26Å; L166-F228 HydrophobicContact CD1-CD1 4.41Å; L166-F228 HydrophobicContact CD1-CE1 4.16Å; L166-F228 HydrophobicContact CD1-CZ 4.23Å; L166-F228 HydrophobicContact CD2-CE2 4.06Å; L166-F228 HydrophobicContact CD2-CZ 3.93Å; L166-F228 HydrophobicContact CG-CE2 4.32Å; L166-F228 HydrophobicContact CG-CZ 4.36Å; H167-F228 WeakPolarHBondContact NE2-CB 3.22Å; V170-F228 HydrophobicContact CG2-CD2 3.66Å; V170-F228 HydrophobicContact CG2-CE2 3.84Å; L210-F228 HydrophobicContact CB-CE2 4.42Å; L210-F228 HydrophobicContact CB-CZ 4.44Å; L210-F228 HydrophobicContact CD1-CE2 4.42Å; L210-F228 HydrophobicContact CD2-CE2 4.03Å; L210-F228 HydrophobicContact CD2-CZ 4.34Å; L214-F228 HydrophobicContact CB-CE1 4.48Å; L214-F228 HydrophobicContact CD1-CD1 4.46Å; L214-F228 HydrophobicContact CD1-CE1 4.08Å; Y219-F228 HydrophobicContact CE2-CD1 4.48Å; Y219-F228 HydrophobicContact CE2-CE1 4.24Å; H225-F228 AromaticContact ND1-CD1 3.89Å; H225-F228 WeakPolarHBondContact O-CB 3.4Å; H225-F228 PolarHBondContact O-N 2.76Å; G226-F228 VanDerWaalsContact C-N 3.35Å; G226-F228 PolarHBondContact O-N 2.73Å; F228-G230 PolarHBondContact O-N 3.3Å; F228-G231 WeakPolarHBondContact O-CA 3.25Å; F228-G231 PolarHBondContact O-N 3.25Å; F228-V232 HydrophobicContact CD2-CG2 4.06Å; F228-V232 HydrophobicContact CE1-CG2 4.25Å; F228-V232 HydrophobicContact CE2-CG2 3.5Å; F228-V232 HydrophobicContact CZ-CG2 3.62Å; F228-V232 PolarHBondContact O-N 2.97Å
229	E	94.6	Very high	91.3	Very high	46 Å²	46	30.2 Å²	30.2	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-48.5	179.6	177.5	171.7	-174	0	0	111.4	L214 H225 G226 G231 V232 K233	L214-E229 HydrophobicContact CD1-CB 4.03Å; L214-E229 HydrophobicContact CD1-CG 3.99Å; L214-E229 HydrophobicContact CD2-CG 4.06Å; H225-E229 IonicContact NE2-OE2 2.66Å; H225-E229 PolarHBondContact NE2-OE2 2.86Å; H225-E229 PolarHBondContact O-N 3.01Å; G226-E229 PolarHBondContact O-N 3.34Å; E229-G231 PolarHBondContact O-N 3.16Å; E229-V232 PolarHBondContact O-N 3.35Å; E229-V232 VanDerWaalsContact O-N 3.16Å; E229-K233 VanDerWaalsContact CD-NZ 3.34Å; E229-K233 HydrophobicContact CG-CD 4.1Å; E229-K233 HydrophobicContact CG-CG 4.46Å; E229-K233 WeakPolarHBondContact O-CB 3.27Å; E229-K233 WeakPolarHBondContact O-CG 3.21Å; E229-K233 PolarHBondContact O-N 2.96Å; E229-K233 WeakPolarHBondContact OE1-CE 3.36Å; E229-K233 IonicContact OE1-NZ 2.77Å; E229-K233 PolarHBondContact OE1-NZ 3.45Å
230	G	95.1	Very high	92.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-33.7	175.5	0	0	0	0	0	113.2	G226 F228 L234	G226-G230 PolarHBondContact O-N 3.48Å; F228-G230 PolarHBondContact O-N 3.3Å; G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.39Å
231	G	95.7	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-74.4	-38.5	175.2	0	0	0	0	0	114.9	Y207 H227 F228 E229 L234 G235	Y207-G231 WeakPolarHBondContact CE1-O 3.35Å; H227-G231 PolarHBondContact O-N 3.43Å; F228-G231 WeakPolarHBondContact O-CA 3.25Å; F228-G231 PolarHBondContact O-N 3.25Å; E229-G231 PolarHBondContact O-N 3.16Å; G231-L234 PolarHBondContact O-N 3.23Å; G231-G235 PolarHBondContact O-N 2.93Å; G231-G235 VanDerWaalsContact O-N 3.11Å
232	V	96.5	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-46.7	171.9	177.8	0	0	0	0	110.2	V170 L210 H211 L214 F228 E229 L234 G235 V236	V170-V232 HydrophobicContact CG2-CG2 4.24Å; L210-V232 HydrophobicContact CB-CG1 4.46Å; L210-V232 HydrophobicContact CB-CG2 3.78Å; L210-V232 HydrophobicContact CD1-CG2 4.44Å; H211-V232 HydrophobicContact CB-CG1 4.03Å; L214-V232 HydrophobicContact CD2-CB 4.16Å; L214-V232 HydrophobicContact CD2-CG1 3.94Å; F228-V232 HydrophobicContact CD2-CG2 4.06Å; F228-V232 HydrophobicContact CE1-CG2 4.25Å; F228-V232 HydrophobicContact CE2-CG2 3.5Å; F228-V232 HydrophobicContact CZ-CG2 3.62Å; F228-V232 PolarHBondContact O-N 2.97Å; E229-V232 PolarHBondContact O-N 3.35Å; E229-V232 VanDerWaalsContact O-N 3.16Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.2Å; V232-G235 PolarHBondContact O-N 3.23Å; V232-V236 HydrophobicContact CG1-CG2 3.94Å; V232-V236 WeakPolarHBondContact O-CB 3.41Å; V232-V236 VanDerWaalsContact O-CG2 3.24Å; V232-V236 WeakPolarHBondContact O-CG2 3.44Å; V232-V236 PolarHBondContact O-N 3.35Å
233	K	97.2	Very high	93.9	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.057	13%	0.134	C	C	.	.	H	α-helix	trans	-57.1	-44.1	175.7	-75.4	178	-176.9	165.2	0	112.1	E229 G237 E272 E276	E229-K233 VanDerWaalsContact CD-NZ 3.34Å; E229-K233 HydrophobicContact CG-CD 4.1Å; E229-K233 HydrophobicContact CG-CG 4.46Å; E229-K233 WeakPolarHBondContact O-CB 3.27Å; E229-K233 WeakPolarHBondContact O-CG 3.21Å; E229-K233 PolarHBondContact O-N 2.96Å; E229-K233 WeakPolarHBondContact OE1-CE 3.36Å; E229-K233 IonicContact OE1-NZ 2.77Å; E229-K233 PolarHBondContact OE1-NZ 3.45Å; K233-G237 WeakPolarHBondContact O-CA 3.41Å; K233-G237 PolarHBondContact O-N 3.47Å; K233-E272 HydrophobicContact CD-CB 3.86Å; K233-E276 IonicContact NZ-OE1 2.69Å; K233-E276 PolarHBondContact NZ-OE1 2.96Å
234	L	97.2	Very high	93.9	Very high	14 Å²	14	18.1 Å²	18.1	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-55.9	-55.6	175	175.7	62.4	0	0	0	111.6	G230 G231 V232 A238 L270 R280 L283 L287	G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.39Å; G231-L234 PolarHBondContact O-N 3.23Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.2Å; L234-A238 WeakPolarHBondContact O-CB 3.25Å; L234-A238 PolarHBondContact O-N 3.29Å; L234-L270 HydrophobicContact CD1-CD2 4.27Å; L234-R280 HydrophobicContact CD2-CB 4.14Å; L234-R280 HydrophobicContact CD2-CG 4.17Å; L234-L283 HydrophobicContact CD1-CB 3.99Å; L234-L283 HydrophobicContact CD2-CB 3.88Å; L234-L283 HydrophobicContact CD2-CD1 3.85Å; L234-L287 HydrophobicContact CD1-CD1 3.53Å
235	G	96.9	Very high	93.5	Very high	4 Å²	4	19.5 Å²	19.5	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-48.5	-176.2	0	0	0	0	0	113.1	G231 V232 G237 A238 F239	G231-G235 PolarHBondContact O-N 2.93Å; G231-G235 VanDerWaalsContact O-N 3.11Å; V232-G235 PolarHBondContact O-N 3.23Å; G235-G237 VanDerWaalsContact C-N 3.33Å; G235-G237 PolarHBondContact O-N 3.3Å; G235-A238 PolarHBondContact O-N 3.37Å; G235-F239 WeakPolarHBondContact O-CB 3.38Å; G235-F239 VanDerWaalsContact O-CD2 3.28Å; G235-F239 WeakPolarHBondContact O-CD2 3.47Å; G235-F239 PolarHBondContact O-N 3.05Å
236	V	96.9	Very high	93.1	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.055	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-45.2	178.4	173.7	0	0	0	0	110.6	H211 V232 N240 F265 Q269	H211-V236 HydrophobicContact CB-CG2 3.83Å; V232-V236 HydrophobicContact CG1-CG2 3.94Å; V232-V236 WeakPolarHBondContact O-CB 3.41Å; V232-V236 VanDerWaalsContact O-CG2 3.24Å; V232-V236 WeakPolarHBondContact O-CG2 3.44Å; V232-V236 PolarHBondContact O-N 3.35Å; V236-N240 WeakPolarHBondContact O-CB 3.39Å; V236-N240 PolarHBondContact O-N 2.88Å; V236-N240 PolarHBondContact O-ND2 2.98Å; V236-F265 HydrophobicContact CG1-CE1 3.57Å; V236-F265 HydrophobicContact CG1-CZ 4.08Å; V236-Q269 HydrophobicContact CG1-CG 4.13Å
237	G	97	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-50.4	177.8	0	0	0	0	0	112.3	K233 G235 F239 N240 L241 G266	K233-G237 WeakPolarHBondContact O-CA 3.41Å; K233-G237 PolarHBondContact O-N 3.47Å; G235-G237 VanDerWaalsContact C-N 3.33Å; G235-G237 PolarHBondContact O-N 3.3Å; G237-F239 PolarHBondContact O-N 3.07Å; G237-N240 PolarHBondContact O-N 3.24Å; G237-L241 VanDerWaalsContact O-CB 3.29Å; G237-L241 WeakPolarHBondContact O-CB 3.45Å; G237-L241 PolarHBondContact O-N 3.39Å; G237-G266 WeakPolarHBondContact CA-O 3.41Å
238	A	96.2	Very high	91.3	Very high	20 Å²	20	22 Å²	22	17%	0.165	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-47.6	178.9	0	0	0	0	0	112.5	L234 G235 M242 L287	L234-A238 WeakPolarHBondContact O-CB 3.25Å; L234-A238 PolarHBondContact O-N 3.29Å; G235-A238 PolarHBondContact O-N 3.37Å; A238-M242 VanDerWaalsContact O-CB 3.31Å; A238-M242 WeakPolarHBondContact O-CB 3.43Å; A238-M242 VanDerWaalsContact O-CG 3.22Å; A238-M242 WeakPolarHBondContact O-CG 3.38Å; A238-M242 PolarHBondContact O-N 2.93Å; A238-L287 HydrophobicContact CB-CD1 3.84Å
239	F	95.7	Very high	90.4	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-47	179.3	-87.8	-68.3	0	0	0	112.2	L177 V200 Y204 Y207 G235 G237 L241 M242 I243	L177-F239 HydrophobicContact CD1-CZ 4.14Å; V200-F239 HydrophobicContact CG1-CE1 3.82Å; V200-F239 HydrophobicContact CG1-CZ 4.36Å; Y204-F239 HydrophobicContact CD2-CB 3.77Å; Y204-F239 AromaticContact CD2-CD1 3.71Å; Y204-F239 HydrophobicContact CD2-CD1 3.71Å; Y204-F239 HydrophobicContact CD2-CD2 4.06Å; Y204-F239 HydrophobicContact CD2-CE1 4.3Å; Y204-F239 AromaticContact CD2-CG 3.58Å; Y204-F239 HydrophobicContact CD2-CG 3.58Å; Y204-F239 HydrophobicContact CE2-CB 4.11Å; Y204-F239 HydrophobicContact CE2-CG 4.41Å; Y204-F239 HydrophobicContact CG-CD1 4.28Å; Y204-F239 HydrophobicContact CG-CE1 4.45Å; Y204-F239 HydrophobicContact CG-CG 4.44Å; Y207-F239 AromaticContact CD2-CD2 3.99Å; Y207-F239 HydrophobicContact CD2-CD2 3.99Å; Y207-F239 AromaticContact CD2-CE2 3.69Å; Y207-F239 HydrophobicContact CD2-CE2 3.69Å; Y207-F239 HydrophobicContact CE2-CE2 4.14Å; G235-F239 WeakPolarHBondContact O-CB 3.38Å; G235-F239 VanDerWaalsContact O-CD2 3.28Å; G235-F239 WeakPolarHBondContact O-CD2 3.47Å; G235-F239 PolarHBondContact O-N 3.05Å; G237-F239 PolarHBondContact O-N 3.07Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 2.97Å; F239-M242 PolarHBondContact O-N 3.42Å; F239-I243 HydrophobicContact CB-CD1 4.31Å; F239-I243 HydrophobicContact CD1-CD1 4.23Å; F239-I243 VanDerWaalsContact O-CB 3.29Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CD1 3.3Å; F239-I243 WeakPolarHBondContact O-CD1 3.36Å; F239-I243 WeakPolarHBondContact O-CG1 3.25Å; F239-I243 PolarHBondContact O-N 2.93Å
240	N	94.5	Very high	89.6	Confident	19 Å²	19	29.8 Å²	29.8	10%	0.102	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-45.2	179.9	-88.9	-80.4	0	0	0	111.8	V236 G237 S244 G261 N262	V236-N240 WeakPolarHBondContact O-CB 3.39Å; V236-N240 PolarHBondContact O-N 2.88Å; V236-N240 PolarHBondContact O-ND2 2.98Å; G237-N240 PolarHBondContact O-N 3.24Å; N240-S244 VanDerWaalsContact O-CB 3.24Å; N240-S244 WeakPolarHBondContact O-CB 3.34Å; N240-S244 PolarHBondContact O-N 2.86Å; N240-S244 PolarHBondContact O-OG 3.48Å; N240-G261 WeakPolarHBondContact O-CA 3.32Å; N240-N262 WeakPolarHBondContact CB-O 3.43Å; N240-N262 PolarHBondContact OD1-N 3.03Å; N240-N262 VanDerWaalsContact OD1-N 3.08Å
241	L	92.4	Very high	88.8	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-54.4	177.5	-177.5	59	0	0	0	111.3	G237 F239 I243 S244 M245 K263 L267 L270 Y291	G237-L241 VanDerWaalsContact O-CB 3.29Å; G237-L241 WeakPolarHBondContact O-CB 3.45Å; G237-L241 PolarHBondContact O-N 3.39Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 2.97Å; L241-I243 PolarHBondContact O-N 3.49Å; L241-S244 PolarHBondContact O-N 3.28Å; L241-S244 PolarHBondContact O-OG 3.25Å; L241-M245 HydrophobicContact CD1-SD 4.4Å; L241-M245 HydrophobicContact CG-SD 4.39Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 3.29Å; L241-K263 HydrophobicContact CD1-CG 4.06Å; L241-L267 HydrophobicContact CD1-CD2 3.96Å; L241-L267 HydrophobicContact CD1-CG 4.16Å; L241-L267 HydrophobicContact CD2-CD2 4.05Å; L241-L270 HydrophobicContact CD2-CD1 3.83Å; L241-Y291 HydrophobicContact CD1-CD2 3.86Å; L241-Y291 HydrophobicContact CD1-CE2 3.87Å; L241-Y291 HydrophobicContact CD2-CD2 3.93Å; L241-Y291 HydrophobicContact CD2-CG 4.06Å; L241-Y291 HydrophobicContact CG-CD2 4.28Å
242	M	90.4	Very high	88	Confident	106 Å²	106	38 Å²	38	52%	0.522	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-39.2	-176	-69.7	-59.3	-63.5	0	0	112.9	A238 F239 M245	A238-M242 VanDerWaalsContact O-CB 3.31Å; A238-M242 WeakPolarHBondContact O-CB 3.43Å; A238-M242 VanDerWaalsContact O-CG 3.22Å; A238-M242 WeakPolarHBondContact O-CG 3.38Å; A238-M242 PolarHBondContact O-N 2.93Å; F239-M242 PolarHBondContact O-N 3.42Å; M242-M245 PolarHBondContact O-N 3.27Å
243	I	89.2	Confident	87.2	Confident	9 Å²	9	44 Å²	44	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-69.2	-41.9	178.2	-66	162.9	0	0	0	110.6	Y204 F239 L241 M245 L246 L251 F259	Y204-I243 HydrophobicContact CD2-CD1 4.34Å; Y204-I243 HydrophobicContact CE2-CD1 3.99Å; F239-I243 HydrophobicContact CB-CD1 4.31Å; F239-I243 HydrophobicContact CD1-CD1 4.23Å; F239-I243 VanDerWaalsContact O-CB 3.29Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CD1 3.3Å; F239-I243 WeakPolarHBondContact O-CD1 3.36Å; F239-I243 WeakPolarHBondContact O-CG1 3.25Å; F239-I243 PolarHBondContact O-N 2.93Å; L241-I243 PolarHBondContact O-N 3.49Å; I243-M245 PolarHBondContact O-N 2.68Å; I243-L246 WeakPolarHBondContact O-CB 2.98Å; I243-L246 PolarHBondContact O-N 3.2Å; I243-L251 HydrophobicContact CG2-CD1 3.53Å; I243-F259 HydrophobicContact CD1-CB 4.18Å; I243-F259 HydrophobicContact CD1-CD1 3.64Å; I243-F259 HydrophobicContact CD1-CG 4.35Å
244	S	86.3	Confident	86.4	Confident	22 Å²	22	45.7 Å²	45.7	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-26.7	179.7	74.9	0	0	0	0	113.1	N240 L241 L246 K263	N240-S244 VanDerWaalsContact O-CB 3.24Å; N240-S244 WeakPolarHBondContact O-CB 3.34Å; N240-S244 PolarHBondContact O-N 2.86Å; N240-S244 PolarHBondContact O-OG 3.48Å; L241-S244 PolarHBondContact O-N 3.28Å; L241-S244 PolarHBondContact O-OG 3.25Å; S244-L246 VanDerWaalsContact C-N 3.31Å; S244-L246 PolarHBondContact O-N 3.1Å; S244-K263 WeakPolarHBondContact OG-CA 3.33Å; S244-K263 WeakPolarHBondContact OG-CB 3.44Å
245	M	81.3	Confident	85.8	Confident	37 Å²	37	49.5 Å²	49.5	18%	0.182	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.7	179.1	-70.9	175.6	61.5	0	0	113.4	L241 M242 I243 Y291 M295 L299 F596	L241-M245 HydrophobicContact CD1-SD 4.4Å; L241-M245 HydrophobicContact CG-SD 4.39Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 3.29Å; M242-M245 PolarHBondContact O-N 3.27Å; I243-M245 PolarHBondContact O-N 2.68Å; M245-Y291 HydrophobicContact SD-CD2 4.34Å; M245-Y291 HydrophobicContact SD-CE2 4.33Å; M245-M295 HydrophobicContact CE-CB 3.69Å; M245-M295 HydrophobicContact CE-CG 4.07Å; M245-M295 HydrophobicContact CE-SD 4.1Å; M245-M295 HydrophobicContact SD-CB 4.49Å; M245-L299 HydrophobicContact CE-CD1 3.81Å; M245-F596 VanDerWaalsContact O-CD1 3.29Å; M245-F596 WeakPolarHBondContact O-CD1 3.31Å; M245-F596 WeakPolarHBondContact O-CE1 3.45Å
246	L	81.6	Confident	84.9	Confident	52 Å²	52	58.2 Å²	58.2	27%	0.272	29%	0.287	S	S	.	.	S	Bend	trans	-72.8	152.9	-177.5	-67.1	173.7	0	0	0	112.5	I243 S244 T250 L254	I243-L246 WeakPolarHBondContact O-CB 2.98Å; I243-L246 PolarHBondContact O-N 3.2Å; S244-L246 VanDerWaalsContact C-N 3.31Å; S244-L246 PolarHBondContact O-N 3.1Å; L246-T250 HydrophobicContact CD1-CG2 4.31Å; L246-L254 HydrophobicContact CD1-CD1 3.3Å
247	P	74.7	Confident	84	Confident	31 Å²	31	61 Å²	61	20%	0.201	31%	0.305	C	S	.	.			trans	-62.5	145.7	177.8	-18.9	32.3	0	0	0	110.8	R249 T250 L251 F596	P247-R249 PolarHBondContact O-N 3.48Å; P247-T250 WeakPolarHBondContact O-CA 3.34Å; P247-T250 WeakPolarHBondContact O-CB 3.23Å; P247-T250 PolarHBondContact O-N 3.32Å; P247-L251 PolarHBondContact O-N 3.36Å; P247-F596 VanDerWaalsContact CD-CE1 3.43Å; P247-F596 HydrophobicContact CG-CD1 4.47Å; P247-F596 HydrophobicContact CG-CE1 3.54Å; P247-F596 HydrophobicContact CG-CZ 3.64Å
248	T	75	Confident	83.1	Confident	55 Å²	55	63.1 Å²	63.1	34%	0.337	33%	0.326	S	S	.	.	H	α-helix	trans	-50	-37.2	-175	-42.7	0	0	0	0	114.2	K252	T248-K252 WeakPolarHBondContact O-CG 3.3Å; T248-K252 PolarHBondContact O-N 3.39Å; T248-K252 VanDerWaalsContact O-N 3.1Å
249	R	73.4	Confident	82.5	Confident	151 Å²	151	63.1 Å²	63.1	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-67	-42.6	178.1	-67.6	-174.1	-173.5	144.3	9.1	112.3	P247 L253	P247-R249 PolarHBondContact O-N 3.48Å; R249-L253 PolarHBondContact O-N 3.13Å
250	T	78.3	Confident	82.1	Confident	60 Å²	60	65.1 Å²	65.1	37%	0.368	34%	0.338	S	S	.	.	H	α-helix	trans	-69.2	-41	177.7	-54.4	0	0	0	0	110.5	L246 P247 K252 L253 L254	L246-T250 HydrophobicContact CD1-CG2 4.31Å; P247-T250 WeakPolarHBondContact O-CA 3.34Å; P247-T250 WeakPolarHBondContact O-CB 3.23Å; P247-T250 PolarHBondContact O-N 3.32Å; T250-K252 PolarHBondContact O-N 3.27Å; T250-L253 PolarHBondContact O-N 3.44Å; T250-L254 HydrophobicContact CG2-CD1 4.19Å; T250-L254 WeakPolarHBondContact O-CG 3.29Å; T250-L254 PolarHBondContact O-N 3.38Å
251	L	78.2	Confident	81.8	Confident	29 Å²	29	65.2 Å²	65.2	15%	0.152	34%	0.344	C	S	.	.	H	α-helix	trans	-57.5	-49.9	177.1	-175.6	63.8	0	0	0	111.5	I243 P247 L253 L254 E255	I243-L251 HydrophobicContact CG2-CD1 3.53Å; P247-L251 PolarHBondContact O-N 3.36Å; L251-L253 PolarHBondContact O-N 3.08Å; L251-L254 CarbonylContact O-C 3.58Å; L251-L254 PolarHBondContact O-N 3.3Å; L251-E255 HydrophobicContact CD1-CG 4.36Å; L251-E255 HydrophobicContact CG-CG 4.3Å; L251-E255 WeakPolarHBondContact O-CG 3.34Å; L251-E255 PolarHBondContact O-N 2.94Å
252	K	79.1	Confident	81.7	Confident	143 Å²	143	68.5 Å²	68.5	62%	0.622	36%	0.361	S	S	*	.	H	α-helix	trans	-56.3	-36.1	177.4	-74.8	-177.3	177.8	-169.3	0	113.8	T248 T250 F256	T248-K252 WeakPolarHBondContact O-CG 3.3Å; T248-K252 PolarHBondContact O-N 3.39Å; T248-K252 VanDerWaalsContact O-N 3.1Å; T250-K252 PolarHBondContact O-N 3.27Å; K252-F256 PolarHBondContact O-N 2.97Å
253	L	80.4	Confident	81.6	Confident	127 Å²	127	66.8 Å²	66.8	67%	0.665	35%	0.351	S	S	*	.	H	α-helix	trans	-71.4	-38.1	176.6	-69.1	171.4	0	0	0	112	R249 T250 L251	R249-L253 PolarHBondContact O-N 3.13Å; T250-L253 PolarHBondContact O-N 3.44Å; L251-L253 PolarHBondContact O-N 3.08Å
254	L	80.6	Confident	81.7	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-73.1	-36.3	178.1	-71.8	179.6	0	0	0	112.1	L246 T250 L251 F256 V257 G258 F259	L246-L254 HydrophobicContact CD1-CD1 3.3Å; T250-L254 HydrophobicContact CG2-CD1 4.19Å; T250-L254 WeakPolarHBondContact O-CG 3.29Å; T250-L254 PolarHBondContact O-N 3.38Å; L251-L254 CarbonylContact O-C 3.58Å; L251-L254 PolarHBondContact O-N 3.3Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-F256 PolarHBondContact O-N 3.17Å; L254-V257 HydrophobicContact CD2-CG2 4.42Å; L254-V257 CarbonylContact O-C 3.59Å; L254-V257 WeakPolarHBondContact O-CG2 3.13Å; L254-V257 PolarHBondContact O-N 3.18Å; L254-V257 VanDerWaalsContact O-N 3.12Å; L254-G258 PolarHBondContact O-N 3.34Å; L254-F259 HydrophobicContact CB-CB 3.94Å; L254-F259 HydrophobicContact CB-CD2 4.38Å; L254-F259 HydrophobicContact CB-CG 4.5Å; L254-F259 HydrophobicContact CD2-CD2 4.05Å; L254-F259 HydrophobicContact CD2-CE2 4.4Å; L254-F259 WeakPolarHBondContact O-CB 3.46Å; L254-F259 PolarHBondContact O-N 2.84Å
255	E	84.3	Confident	82.1	Confident	95 Å²	95	72.8 Å²	72.8	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-43.1	172.2	-75.1	172.2	168.9	0	0	112.2	L251 V257 G258 F259	L251-E255 HydrophobicContact CD1-CG 4.36Å; L251-E255 HydrophobicContact CG-CG 4.3Å; L251-E255 WeakPolarHBondContact O-CG 3.34Å; L251-E255 PolarHBondContact O-N 2.94Å; E255-V257 PolarHBondContact O-N 3.46Å; E255-G258 PolarHBondContact O-N 3.31Å; E255-F259 WeakPolarHBondContact CA-O 3.34Å; E255-F259 WeakPolarHBondContact CG-O 3.49Å
256	F	78.1	Confident	82.8	Confident	186 Å²	186	71 Å²	71	82%	0.816	37%	0.367	S	S	*	.	H	α-helix	trans	-57.9	-31.8	175.7	180	-101.6	0	0	0	113.3	K252 L254	K252-F256 PolarHBondContact O-N 2.97Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-F256 PolarHBondContact O-N 3.17Å
257	V	76.8	Confident	83.4	Confident	69 Å²	69	69.9 Å²	69.9	42%	0.418	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8.4	178.1	-60.1	0	0	0	0	113.5	L254 E255 F259	L254-V257 HydrophobicContact CD2-CG2 4.42Å; L254-V257 CarbonylContact O-C 3.59Å; L254-V257 WeakPolarHBondContact O-CG2 3.13Å; L254-V257 PolarHBondContact O-N 3.18Å; L254-V257 VanDerWaalsContact O-N 3.12Å; E255-V257 PolarHBondContact O-N 3.46Å; V257-F259 HydrophobicContact CG2-CD2 3.95Å; V257-F259 HydrophobicContact CG2-CE2 4.39Å
258	G	78.5	Confident	84.5	Confident	44 Å²	44	72.7 Å²	72.7	45%	0.454	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	5.6	169.3	0	0	0	0	0	116.4	Y204 L254 E255	Y204-G258 WeakPolarHBondContact CE1-O 3.45Å; L254-G258 PolarHBondContact O-N 3.34Å; E255-G258 PolarHBondContact O-N 3.31Å
259	F	84.8	Confident	85.5	Confident	20 Å²	20	70.6 Å²	70.6	9%	0.088	36%	0.358	C	S	.	.			trans	-81.7	140.9	171.3	-74.4	-84.5	0	0	0	111.1	V200 R201 Y204 I243 L254 E255 V257	V200-F259 HydrophobicContact CG1-CE1 4.43Å; V200-F259 HydrophobicContact CG1-CZ 4.37Å; R201-F259 HydrophobicContact CB-CE2 4.24Å; R201-F259 HydrophobicContact CB-CZ 3.89Å; R201-F259 HydrophobicContact CG-CE2 4.33Å; R201-F259 HydrophobicContact CG-CZ 4.28Å; Y204-F259 AromaticContact CD1-CD1 3.46Å; Y204-F259 HydrophobicContact CD1-CD1 3.46Å; Y204-F259 VanDerWaalsContact CD1-CD1 3.46Å; Y204-F259 AromaticContact CD1-CE1 3.6Å; Y204-F259 HydrophobicContact CD1-CE1 3.6Å; Y204-F259 HydrophobicContact CD1-CG 4.23Å; Y204-F259 HydrophobicContact CD1-CZ 4.43Å; Y204-F259 HydrophobicContact CD2-CD1 4.07Å; Y204-F259 HydrophobicContact CD2-CE1 4.26Å; Y204-F259 HydrophobicContact CE1-CB 4.41Å; Y204-F259 AromaticContact CE1-CD1 3.69Å; Y204-F259 HydrophobicContact CE1-CD1 3.69Å; Y204-F259 HydrophobicContact CE1-CE1 4.31Å; Y204-F259 HydrophobicContact CE1-CG 4.17Å; Y204-F259 HydrophobicContact CE2-CD1 4.26Å; Y204-F259 AromaticContact CG-CD1 3.65Å; Y204-F259 HydrophobicContact CG-CD1 3.65Å; Y204-F259 AromaticContact CG-CE1 3.56Å; Y204-F259 HydrophobicContact CG-CE1 3.56Å; I243-F259 HydrophobicContact CD1-CB 4.18Å; I243-F259 HydrophobicContact CD1-CD1 3.64Å; I243-F259 HydrophobicContact CD1-CG 4.35Å; L254-F259 HydrophobicContact CB-CB 3.94Å; L254-F259 HydrophobicContact CB-CD2 4.38Å; L254-F259 HydrophobicContact CB-CG 4.5Å; L254-F259 HydrophobicContact CD2-CD2 4.05Å; L254-F259 HydrophobicContact CD2-CE2 4.4Å; L254-F259 WeakPolarHBondContact O-CB 3.46Å; L254-F259 PolarHBondContact O-N 2.84Å; E255-F259 WeakPolarHBondContact CA-O 3.34Å; E255-F259 WeakPolarHBondContact CG-O 3.49Å; V257-F259 HydrophobicContact CG2-CD2 3.95Å; V257-F259 HydrophobicContact CG2-CE2 4.39Å
260	S	85.9	Confident	86.6	Confident	57 Å²	57	63.4 Å²	63.4	40%	0.399	33%	0.331	S	S	.	.			trans	-143.9	141.9	175.2	53.3	0	0	0	0	107.8	Y204	Y204-S260 PolarHBondContact OH-N 2.87Å; Y204-S260 PolarHBondContact OH-O 3.41Å; Y204-S260 PolarHBondContact OH-OG 3.46Å; Y204-S260 VanDerWaalsContact OH-OG 3.06Å
261	G	87.8	Confident	87.4	Confident	21 Å²	21	64 Å²	64	22%	0.216	33%	0.329	C	S	.	.			trans	-132.8	129.3	178.4	0	0	0	0	0	111.2	N240	N240-G261 WeakPolarHBondContact O-CA 3.32Å
262	N	90.3	Very high	88.2	Confident	77 Å²	77	65.9 Å²	65.9	41%	0.412	34%	0.337	S	S	.	.			trans	-120.3	118.6	171	179	-54.1	0	0	0	108.7	N240 E264 F265 G266	N240-N262 WeakPolarHBondContact CB-O 3.43Å; N240-N262 PolarHBondContact OD1-N 3.03Å; N240-N262 VanDerWaalsContact OD1-N 3.08Å; N262-E264 PolarHBondContact OD1-N 3.5Å; N262-E264 PolarHBondContact OD1-OE2 2.95Å; N262-F265 HydrophobicContact CB-CB 3.95Å; N262-F265 WeakPolarHBondContact OD1-CB 3.31Å; N262-F265 PolarHBondContact OD1-N 3.42Å; N262-G266 PolarHBondContact O-N 3.38Å
263	K	89.9	Confident	88.9	Confident	71 Å²	71	59.1 Å²	59.1	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-50.4	-172.7	-176.7	-169.8	170.5	-169.4	0	111.4	L241 S244 G266 L267 Y291	L241-K263 HydrophobicContact CD1-CG 4.06Å; S244-K263 WeakPolarHBondContact OG-CA 3.33Å; S244-K263 WeakPolarHBondContact OG-CB 3.44Å; K263-G266 PolarHBondContact O-N 2.94Å; K263-L267 HydrophobicContact CG-CD1 4.27Å; K263-L267 WeakPolarHBondContact O-CG 3.43Å; K263-L267 PolarHBondContact O-N 3.32Å; K263-Y291 WeakPolarHBondContact CE-OH 3.48Å; K263-Y291 PolarHBondContact NZ-OH 2.92Å
264	E	91.4	Very high	89.5	Confident	103 Å²	103	54.2 Å²	54.2	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-46.2	-175.6	-67.1	65.1	-141.7	0	0	110.6	N262 G266 L267 Q268	N262-E264 PolarHBondContact OD1-N 3.5Å; N262-E264 PolarHBondContact OD1-OE2 2.95Å; E264-G266 VanDerWaalsContact C-N 3.34Å; E264-G266 PolarHBondContact O-N 3.27Å; E264-L267 PolarHBondContact O-N 2.95Å; E264-Q268 WeakPolarHBondContact O-CB 3.44Å; E264-Q268 PolarHBondContact O-N 3.26Å
265	F	94.9	Very high	89.7	Confident	54 Å²	54	56 Å²	56	24%	0.237	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-41.4	174.1	-178.7	-112.9	0	0	0	111.6	H211 V236 N262 L267 Q268 Q269	H211-F265 AromaticContact CE1-CZ 3.99Å; H211-F265 AromaticContact NE2-CZ 3.54Å; V236-F265 HydrophobicContact CG1-CE1 3.57Å; V236-F265 HydrophobicContact CG1-CZ 4.08Å; N262-F265 HydrophobicContact CB-CB 3.95Å; N262-F265 WeakPolarHBondContact OD1-CB 3.31Å; N262-F265 PolarHBondContact OD1-N 3.42Å; F265-L267 PolarHBondContact O-N 3.41Å; F265-Q268 PolarHBondContact O-N 2.89Å; F265-Q269 HydrophobicContact CD1-CG 4.4Å; F265-Q269 HydrophobicContact CD2-CG 4.24Å; F265-Q269 HydrophobicContact CE1-CG 3.91Å; F265-Q269 HydrophobicContact CE2-CG 3.72Å; F265-Q269 HydrophobicContact CZ-CG 3.52Å; F265-Q269 VanDerWaalsContact O-CG 3.31Å; F265-Q269 WeakPolarHBondContact O-CG 2.99Å; F265-Q269 PolarHBondContact O-N 2.84Å
266	G	95.9	Very high	89.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-46.9	176.1	0	0	0	0	0	112.7	G237 N262 K263 E264 Q269 L270	G237-G266 WeakPolarHBondContact CA-O 3.41Å; N262-G266 PolarHBondContact O-N 3.38Å; K263-G266 PolarHBondContact O-N 2.94Å; E264-G266 VanDerWaalsContact C-N 3.34Å; E264-G266 PolarHBondContact O-N 3.27Å; G266-Q269 PolarHBondContact O-N 3.09Å; G266-L270 WeakPolarHBondContact O-CG 3.02Å; G266-L270 PolarHBondContact O-N 3.43Å; G266-L270 VanDerWaalsContact O-N 3.17Å
267	L	94.3	Very high	89.3	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-64.3	-43.6	176.3	-68.8	174.1	0	0	0	111.9	L241 K263 E264 F265 Q269 L270 Q271 L288 Y291	L241-L267 HydrophobicContact CD1-CD2 3.96Å; L241-L267 HydrophobicContact CD1-CG 4.16Å; L241-L267 HydrophobicContact CD2-CD2 4.05Å; K263-L267 HydrophobicContact CG-CD1 4.27Å; K263-L267 WeakPolarHBondContact O-CG 3.43Å; K263-L267 PolarHBondContact O-N 3.32Å; E264-L267 PolarHBondContact O-N 2.95Å; F265-L267 PolarHBondContact O-N 3.41Å; L267-Q269 PolarHBondContact O-N 3.41Å; L267-L270 PolarHBondContact O-N 2.74Å; L267-Q271 WeakPolarHBondContact O-CB 3.15Å; L267-Q271 VanDerWaalsContact O-CG 3.31Å; L267-Q271 WeakPolarHBondContact O-CG 3.31Å; L267-Q271 PolarHBondContact O-N 3.46Å; L267-L288 HydrophobicContact CD2-CD2 3.94Å; L267-Y291 HydrophobicContact CD1-CE1 3.97Å; L267-Y291 HydrophobicContact CD2-CD1 3.58Å; L267-Y291 HydrophobicContact CD2-CE1 3.75Å; L267-Y291 HydrophobicContact CD2-CG 4.09Å
268	Q	95.9	Very high	89.8	Confident	90 Å²	90	48.7 Å²	48.7	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-48.1	176.7	-178	-175	-1	0	0	111.5	E264 F265 L270 Q271 E272	E264-Q268 WeakPolarHBondContact O-CB 3.44Å; E264-Q268 PolarHBondContact O-N 3.26Å; F265-Q268 PolarHBondContact O-N 2.89Å; Q268-L270 VanDerWaalsContact C-N 3.34Å; Q268-L270 PolarHBondContact O-N 2.79Å; Q268-Q271 PolarHBondContact O-N 2.94Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.21Å; Q268-E272 PolarHBondContact NE2-OE1 2.73Å; Q268-E272 WeakPolarHBondContact O-CG 3.28Å; Q268-E272 PolarHBondContact O-N 3.32Å
269	Q	96.9	Very high	90.2	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-39.8	179.7	-66.6	-59.7	-83.6	0	0	112.3	H211 V236 F265 G266 L267 E272 G273	H211-Q269 PolarHBondContact CE1-OE1 3.33Å; V236-Q269 HydrophobicContact CG1-CG 4.13Å; F265-Q269 HydrophobicContact CD1-CG 4.4Å; F265-Q269 HydrophobicContact CD2-CG 4.24Å; F265-Q269 HydrophobicContact CE1-CG 3.91Å; F265-Q269 HydrophobicContact CE2-CG 3.72Å; F265-Q269 HydrophobicContact CZ-CG 3.52Å; F265-Q269 VanDerWaalsContact O-CG 3.31Å; F265-Q269 WeakPolarHBondContact O-CG 2.99Å; F265-Q269 PolarHBondContact O-N 2.84Å; G266-Q269 PolarHBondContact O-N 3.09Å; L267-Q269 PolarHBondContact O-N 3.41Å; Q269-E272 PolarHBondContact NE2-OE2 3.49Å; Q269-G273 PolarHBondContact O-N 3.43Å
270	L	96.8	Very high	90.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-37.6	175	-68.1	172.2	0	0	0	112.3	L234 L241 G266 L267 Q268 G273 S274 C284 L287 L288	L234-L270 HydrophobicContact CD1-CD2 4.27Å; L241-L270 HydrophobicContact CD2-CD1 3.83Å; G266-L270 WeakPolarHBondContact O-CG 3.02Å; G266-L270 PolarHBondContact O-N 3.43Å; G266-L270 VanDerWaalsContact O-N 3.17Å; L267-L270 PolarHBondContact O-N 2.74Å; Q268-L270 VanDerWaalsContact C-N 3.34Å; Q268-L270 PolarHBondContact O-N 2.79Å; L270-G273 PolarHBondContact O-N 3.36Å; L270-S274 WeakPolarHBondContact O-CB 3.44Å; L270-S274 PolarHBondContact O-N 2.87Å; L270-S274 PolarHBondContact O-OG 3.36Å; L270-C284 HydrophobicContact CD2-CB 4.42Å; L270-C284 WeakPolarHBondContact O-CB 3.21Å; L270-L287 HydrophobicContact CD1-CB 4.31Å; L270-L287 HydrophobicContact CD2-CB 4.42Å; L270-L287 HydrophobicContact CD2-CD1 3.98Å; L270-L288 HydrophobicContact CB-CD1 4.09Å; L270-L288 HydrophobicContact CB-CD2 3.78Å; L270-L288 HydrophobicContact CB-CG 3.82Å; L270-L288 HydrophobicContact CD1-CD2 4.21Å; L270-L288 HydrophobicContact CD1-CG 4.47Å
271	Q	95.3	Very high	91	Very high	73 Å²	73	43.9 Å²	43.9	34%	0.341	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-45.8	176.3	-74.4	174.2	-10.6	0	0	111.6	L267 Q268 G273 S274 A275 L288	L267-Q271 WeakPolarHBondContact O-CB 3.15Å; L267-Q271 VanDerWaalsContact O-CG 3.31Å; L267-Q271 WeakPolarHBondContact O-CG 3.31Å; L267-Q271 PolarHBondContact O-N 3.46Å; Q268-Q271 PolarHBondContact O-N 2.94Å; Q271-G273 VanDerWaalsContact C-N 3.32Å; Q271-G273 PolarHBondContact O-N 3.48Å; Q271-S274 PolarHBondContact O-N 2.68Å; Q271-S274 PolarHBondContact O-OG 2.99Å; Q271-A275 PolarHBondContact O-N 3.07Å; Q271-L288 HydrophobicContact CG-CD1 4Å; Q271-L288 HydrophobicContact CG-CD2 4.27Å
272	E	94.6	Very high	91.2	Very high	68 Å²	68	43.9 Å²	43.9	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-41.8	174.8	-71.2	170	-172.2	0	0	111	K233 Q268 Q269 S274 A275	K233-E272 HydrophobicContact CD-CB 3.86Å; Q268-E272 WeakPolarHBondContact CG-OE1 3.21Å; Q268-E272 PolarHBondContact NE2-OE1 2.73Å; Q268-E272 WeakPolarHBondContact O-CG 3.28Å; Q268-E272 PolarHBondContact O-N 3.32Å; Q269-E272 PolarHBondContact NE2-OE2 3.49Å; E272-S274 VanDerWaalsContact C-N 3.3Å; E272-S274 PolarHBondContact O-N 3.13Å; E272-A275 PolarHBondContact O-N 3.34Å
273	G	94.6	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.8	-24.8	179.3	0	0	0	0	0	113.8	Q269 L270 Q271 S281	Q269-G273 PolarHBondContact O-N 3.43Å; L270-G273 PolarHBondContact O-N 3.36Å; Q271-G273 VanDerWaalsContact C-N 3.32Å; Q271-G273 PolarHBondContact O-N 3.48Å; G273-S281 WeakPolarHBondContact O-CA 3.25Å; G273-S281 WeakPolarHBondContact O-CB 3.43Å; G273-S281 PolarHBondContact O-OG 2.8Å
274	S	92.7	Very high	91.7	Very high	25 Å²	25	39.7 Å²	39.7	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-85.2	-20.3	177.5	71.8	0	0	0	0	113.8	L270 Q271 E272	L270-S274 WeakPolarHBondContact O-CB 3.44Å; L270-S274 PolarHBondContact O-N 2.87Å; L270-S274 PolarHBondContact O-OG 3.36Å; Q271-S274 PolarHBondContact O-N 2.68Å; Q271-S274 PolarHBondContact O-OG 2.99Å; E272-S274 VanDerWaalsContact C-N 3.3Å; E272-S274 PolarHBondContact O-N 3.13Å
275	A	83.1	Confident	91.9	Very high	85 Å²	85	35 Å²	35	70%	0.702	20%	0.197	S	C	*	.	H	α-helix	trans	-73.4	-31.3	-177.8	0	0	0	0	0	113.5	Q271 E272	Q271-A275 PolarHBondContact O-N 3.07Å; E272-A275 PolarHBondContact O-N 3.34Å
276	E	75.8	Confident	91.9	Very high	60 Å²	60	33.4 Å²	33.4	28%	0.28	19%	0.19	S	C	.	.	S	Bend	trans	-77.4	158.3	178.4	-65.5	172.2	-144.4	0	0	111.5	K233 T278 S281	K233-E276 IonicContact NZ-OE1 2.69Å; K233-E276 PolarHBondContact NZ-OE1 2.96Å; E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 HydrophobicContact CB-CG2 3.65Å; E276-T278 PolarHBondContact O-N 3.47Å; E276-S281 WeakPolarHBondContact O-CB 3.25Å; E276-S281 PolarHBondContact O-OG 2.95Å
277	S	79.8	Confident	91.9	Very high	120 Å²	120	36.6 Å²	36.6	84%	0.839	21%	0.207	S	C	*	.			trans	-90.5	58	175	-68.6	0	0	0	0	111.5
278	T	87.6	Confident	91.9	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.092	20%	0.2	C	C	.	.	S	Bend	trans	-100.1	164.6	-178.7	82.6	0	0	0	0	111.7	G226 E276 R280 S281	G226-T278 VanDerWaalsContact O-CG2 3.29Å; G226-T278 WeakPolarHBondContact O-CG2 3.46Å; E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 HydrophobicContact CB-CG2 3.65Å; E276-T278 PolarHBondContact O-N 3.47Å; T278-R280 PolarHBondContact O-N 3.41Å; T278-R280 PolarHBondContact OG1-N 2.85Å; T278-S281 WeakPolarHBondContact CB-OG 3.28Å; T278-S281 PolarHBondContact N-OG 2.63Å; T278-S281 VanDerWaalsContact N-OG 3.15Å; T278-S281 WeakPolarHBondContact O-CB 3.4Å; T278-S281 PolarHBondContact O-N 2.92Å; T278-S281 PolarHBondContact OG1-N 3.36Å; T278-S281 PolarHBondContact OG1-OG 3.42Å
279	F	86.6	Confident	91.9	Very high	17 Å²	17	31 Å²	31	8%	0.075	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.1	172.6	179.5	-105.3	0	0	0	112.9	L81 C84 M85 L88 Y112 T116 H227	L81-F279 HydrophobicContact CD2-CB 4.38Å; C84-F279 HydrophobicContact CB-CD2 4.31Å; C84-F279 HydrophobicContact CB-CE2 3.89Å; M85-F279 HydrophobicContact CG-CB 4.23Å; M85-F279 HydrophobicContact CG-CD2 3.96Å; L88-F279 HydrophobicContact CB-CE2 4.4Å; L88-F279 HydrophobicContact CD2-CD2 4.4Å; L88-F279 HydrophobicContact CD2-CE2 4.33Å; Y112-F279 HydrophobicContact CD1-CD1 4.3Å; Y112-F279 HydrophobicContact CD1-CE1 4.4Å; Y112-F279 HydrophobicContact CE1-CD1 4.16Å; T116-F279 HydrophobicContact CG2-CE2 4.28Å; T116-F279 HydrophobicContact CG2-CZ 3.83Å; T116-F279 WeakPolarHBondContact OG1-CZ 3.38Å; H227-F279 PolarHBondContact CE1-N 3.41Å; H227-F279 VanDerWaalsContact CE1-N 3.32Å; H227-F279 WeakPolarHBondContact ND1-CB 3.46Å; H227-F279 PolarHBondContact ND1-N 3.21Å; H227-F279 VanDerWaalsContact ND1-N 3.16Å
280	R	93.3	Very high	91.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.5	-175.5	-70.6	177.3	176.4	87.4	3.6	114.1	Y112 C171 E174 L234 T278 F282 L283 C284	Y112-R280 PolarHBondContact OH-NH1 3.32Å; C171-R280 PolarHBondContact SG-NH2 2.89Å; C171-R280 VanDerWaalsContact SG-NH2 3.39Å; E174-R280 VanDerWaalsContact CD-NE 3.33Å; E174-R280 WeakPolarHBondContact OE1-CD 3.46Å; E174-R280 IonicContact OE1-CZ 3.94Å; E174-R280 IonicContact OE1-NE 3.15Å; E174-R280 PolarHBondContact OE1-NE 3.01Å; E174-R280 IonicContact OE1-NH2 3.19Å; E174-R280 IonicContact OE2-CZ 3.88Å; E174-R280 IonicContact OE2-NE 2.66Å; E174-R280 PolarHBondContact OE2-NE 3.35Å; E174-R280 IonicContact OE2-NH2 3.94Å; E174-R280 PolarHBondContact OE2-NH2 3.01Å; L234-R280 HydrophobicContact CD2-CB 4.14Å; L234-R280 HydrophobicContact CD2-CG 4.17Å; T278-R280 PolarHBondContact O-N 3.41Å; T278-R280 PolarHBondContact OG1-N 2.85Å; R280-F282 PolarHBondContact O-N 3.17Å; R280-L283 WeakPolarHBondContact O-CB 3.27Å; R280-L283 PolarHBondContact O-N 3.05Å; R280-C284 PolarHBondContact O-N 3.01Å
281	S	93.2	Very high	91.5	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-33.4	179.8	-59	0	0	0	0	112.4	G273 E276 T278 N285	G273-S281 WeakPolarHBondContact O-CA 3.25Å; G273-S281 WeakPolarHBondContact O-CB 3.43Å; G273-S281 PolarHBondContact O-OG 2.8Å; E276-S281 WeakPolarHBondContact O-CB 3.25Å; E276-S281 PolarHBondContact O-OG 2.95Å; T278-S281 WeakPolarHBondContact CB-OG 3.28Å; T278-S281 PolarHBondContact N-OG 2.63Å; T278-S281 VanDerWaalsContact N-OG 3.15Å; T278-S281 WeakPolarHBondContact O-CB 3.4Å; T278-S281 PolarHBondContact O-N 2.92Å; T278-S281 PolarHBondContact OG1-N 3.36Å; T278-S281 PolarHBondContact OG1-OG 3.42Å; S281-N285 WeakPolarHBondContact O-CB 3.4Å; S281-N285 PolarHBondContact O-N 2.84Å
282	F	92.7	Very high	91.3	Very high	21 Å²	21	30.4 Å²	30.4	9%	0.092	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-46.3	169.7	168	-105.8	0	0	0	112.2	L88 L92 R280 N285 M286 Y316 I325 F326	L88-F282 HydrophobicContact CD1-CD1 4.08Å; L88-F282 HydrophobicContact CD1-CE1 4.35Å; L88-F282 HydrophobicContact CD2-CB 4.26Å; L88-F282 HydrophobicContact CD2-CD1 4.44Å; L92-F282 HydrophobicContact CD1-CD2 4.04Å; L92-F282 HydrophobicContact CD1-CE2 4.26Å; L92-F282 HydrophobicContact CD1-CG 4.38Å; L92-F282 HydrophobicContact CD2-CD2 4.09Å; L92-F282 HydrophobicContact CD2-CE1 4.06Å; L92-F282 HydrophobicContact CD2-CE2 3.47Å; L92-F282 VanDerWaalsContact CD2-CE2 3.47Å; L92-F282 HydrophobicContact CD2-CZ 3.46Å; L92-F282 VanDerWaalsContact CD2-CZ 3.46Å; R280-F282 PolarHBondContact O-N 3.17Å; F282-N285 WeakPolarHBondContact O-CB 3.19Å; F282-N285 PolarHBondContact O-N 3.22Å; F282-M286 HydrophobicContact CD1-CG 4.34Å; F282-M286 HydrophobicContact CD2-CE 3.96Å; F282-M286 HydrophobicContact CD2-CG 3.96Å; F282-M286 HydrophobicContact CD2-SD 4.34Å; F282-M286 HydrophobicContact CE1-CG 3.83Å; F282-M286 HydrophobicContact CE2-CE 3.6Å; F282-M286 HydrophobicContact CE2-CG 3.4Å; F282-M286 VanDerWaalsContact CE2-CG 3.4Å; F282-M286 HydrophobicContact CE2-SD 3.5Å; F282-M286 WeakPolarHBondContact CE2-SD 3.49Å; F282-M286 HydrophobicContact CG-CG 4.4Å; F282-M286 HydrophobicContact CZ-CE 4.44Å; F282-M286 HydrophobicContact CZ-CG 3.32Å; F282-M286 HydrophobicContact CZ-SD 3.76Å; F282-M286 WeakPolarHBondContact O-CG 3.29Å; F282-M286 PolarHBondContact O-N 2.92Å; F282-Y316 HydrophobicContact CD2-CD1 4.46Å; F282-Y316 AromaticContact CD2-CE1 3.86Å; F282-Y316 HydrophobicContact CD2-CE1 3.86Å; F282-I325 HydrophobicContact CZ-CD1 4.13Å; F282-F326 HydrophobicContact CD2-CE1 4.42Å; F282-F326 HydrophobicContact CD2-CZ 4.28Å; F282-F326 AromaticContact CE2-CE1 3.86Å; F282-F326 HydrophobicContact CE2-CE1 3.86Å; F282-F326 AromaticContact CE2-CZ 3.78Å; F282-F326 HydrophobicContact CE2-CZ 3.78Å
283	L	94.6	Very high	91.2	Very high	60 Å²	60	27.2 Å²	27.2	31%	0.314	17%	0.166	S	C	.	.	H	α-helix	trans	-66.6	-40.6	-179.5	-62.9	178.1	0	0	0	111.8	L234 R280 N285 M286 L287	L234-L283 HydrophobicContact CD1-CB 3.99Å; L234-L283 HydrophobicContact CD2-CB 3.88Å; L234-L283 HydrophobicContact CD2-CD1 3.85Å; R280-L283 WeakPolarHBondContact O-CB 3.27Å; R280-L283 PolarHBondContact O-N 3.05Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.17Å; L283-M286 PolarHBondContact O-N 2.97Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å
284	C	96.4	Very high	91.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-46.3	171.5	-69.3	0	0	0	0	110.9	L270 R280 L287 L288	L270-C284 HydrophobicContact CD2-CB 4.42Å; L270-C284 WeakPolarHBondContact O-CB 3.21Å; R280-C284 PolarHBondContact O-N 3.01Å; C284-L287 PolarHBondContact O-N 3.42Å; C284-L288 WeakPolarHBondContact O-CG 3.42Å; C284-L288 PolarHBondContact O-N 3.16Å
285	N	95.4	Very high	90.8	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-43.6	178.1	-165.3	34.2	0	0	0	112.6	S281 F282 L283 L287 L288 L289 L312 Y316	S281-N285 WeakPolarHBondContact O-CB 3.4Å; S281-N285 PolarHBondContact O-N 2.84Å; F282-N285 WeakPolarHBondContact O-CB 3.19Å; F282-N285 PolarHBondContact O-N 3.22Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.17Å; N285-L287 VanDerWaalsContact C-N 3.33Å; N285-L287 PolarHBondContact O-N 3.38Å; N285-L288 PolarHBondContact O-N 2.82Å; N285-L289 WeakPolarHBondContact O-CG 3.47Å; N285-L289 PolarHBondContact O-N 3.48Å; N285-L312 PolarHBondContact ND2-O 3.2Å; N285-L312 VanDerWaalsContact OD1-CB 3.28Å; N285-L312 WeakPolarHBondContact OD1-CB 3.49Å; N285-L312 VanDerWaalsContact OD1-CD2 3.26Å; N285-L312 WeakPolarHBondContact OD1-CD2 3.48Å; N285-Y316 HydrophobicContact CB-CE2 4.22Å; N285-Y316 WeakPolarHBondContact ND2-CD2 3.44Å; N285-Y316 WeakPolarHBondContact ND2-CE2 3.47Å
286	M	94.6	Very high	90.9	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-38.8	177.7	-68.3	-52.8	97.3	0	0	112	F282 L283 L289 C290 I325 F326 F329	F282-M286 HydrophobicContact CD1-CG 4.34Å; F282-M286 HydrophobicContact CD2-CE 3.96Å; F282-M286 HydrophobicContact CD2-CG 3.96Å; F282-M286 HydrophobicContact CD2-SD 4.34Å; F282-M286 HydrophobicContact CE1-CG 3.83Å; F282-M286 HydrophobicContact CE2-CE 3.6Å; F282-M286 HydrophobicContact CE2-CG 3.4Å; F282-M286 VanDerWaalsContact CE2-CG 3.4Å; F282-M286 HydrophobicContact CE2-SD 3.5Å; F282-M286 WeakPolarHBondContact CE2-SD 3.49Å; F282-M286 HydrophobicContact CG-CG 4.4Å; F282-M286 HydrophobicContact CZ-CE 4.44Å; F282-M286 HydrophobicContact CZ-CG 3.32Å; F282-M286 HydrophobicContact CZ-SD 3.76Å; F282-M286 WeakPolarHBondContact O-CG 3.29Å; F282-M286 PolarHBondContact O-N 2.92Å; L283-M286 PolarHBondContact O-N 2.97Å; M286-L289 HydrophobicContact CE-CD1 3.5Å; M286-L289 PolarHBondContact O-N 3.45Å; M286-L289 HydrophobicContact SD-CD1 4.26Å; M286-C290 WeakPolarHBondContact O-CB 3.46Å; M286-C290 PolarHBondContact O-N 3.14Å; M286-C290 PolarHBondContact O-SG 2.94Å; M286-I325 HydrophobicContact SD-CG2 3.61Å; M286-F326 HydrophobicContact CE-CD1 4.42Å; M286-F326 HydrophobicContact CE-CE1 3.83Å; M286-F326 HydrophobicContact SD-CE1 4.48Å; M286-F329 HydrophobicContact SD-CD2 4.32Å; M286-F329 HydrophobicContact SD-CE2 3.82Å
287	L	95.4	Very high	91.4	Very high	67 Å²	67	25.8 Å²	25.8	35%	0.351	15%	0.145	S	C	.	.	H	α-helix	trans	-64.5	-41.1	175	-74.2	179.1	0	0	0	112.1	L234 A238 L270 L283 C284 N285 C290 Y291	L234-L287 HydrophobicContact CD1-CD1 3.53Å; A238-L287 HydrophobicContact CB-CD1 3.84Å; L270-L287 HydrophobicContact CD1-CB 4.31Å; L270-L287 HydrophobicContact CD2-CB 4.42Å; L270-L287 HydrophobicContact CD2-CD1 3.98Å; L283-L287 WeakPolarHBondContact O-CG 3.39Å; L283-L287 PolarHBondContact O-N 3.38Å; C284-L287 PolarHBondContact O-N 3.42Å; N285-L287 VanDerWaalsContact C-N 3.33Å; N285-L287 PolarHBondContact O-N 3.38Å; L287-C290 PolarHBondContact O-N 2.75Å; L287-Y291 WeakPolarHBondContact O-CB 3.31Å; L287-Y291 PolarHBondContact O-N 2.66Å
288	L	95.2	Very high	91.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-46.9	173.9	-70.9	167.9	0	0	0	111.3	L267 L270 Q271 C284 N285 C290 Y291 H292 L312	L267-L288 HydrophobicContact CD2-CD2 3.94Å; L270-L288 HydrophobicContact CB-CD1 4.09Å; L270-L288 HydrophobicContact CB-CD2 3.78Å; L270-L288 HydrophobicContact CB-CG 3.82Å; L270-L288 HydrophobicContact CD1-CD2 4.21Å; L270-L288 HydrophobicContact CD1-CG 4.47Å; Q271-L288 HydrophobicContact CG-CD1 4Å; Q271-L288 HydrophobicContact CG-CD2 4.27Å; C284-L288 WeakPolarHBondContact O-CG 3.42Å; C284-L288 PolarHBondContact O-N 3.16Å; N285-L288 PolarHBondContact O-N 2.82Å; L288-C290 PolarHBondContact O-N 2.51Å; L288-Y291 WeakPolarHBondContact O-CA 3.29Å; L288-Y291 WeakPolarHBondContact O-CB 3.49Å; L288-Y291 PolarHBondContact O-N 2.74Å; L288-H292 PolarHBondContact O-CD2 2.94Å; L288-H292 PolarHBondContact O-N 3.17Å; L288-L312 HydrophobicContact CB-CD1 3.58Å; L288-L312 HydrophobicContact CD1-CD1 4.21Å; L288-L312 HydrophobicContact CD1-CD2 4.03Å; L288-L312 HydrophobicContact CG-CD1 4.47Å
289	L	95.2	Very high	91.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-46.7	176	-74.1	177.1	0	0	0	111.7	N285 M286 Y291 H292 T293 A309 L312 L313 F329	N285-L289 WeakPolarHBondContact O-CG 3.47Å; N285-L289 PolarHBondContact O-N 3.48Å; M286-L289 HydrophobicContact CE-CD1 3.5Å; M286-L289 PolarHBondContact O-N 3.45Å; M286-L289 HydrophobicContact SD-CD1 4.26Å; L289-Y291 VanDerWaalsContact C-N 3.27Å; L289-Y291 PolarHBondContact O-N 2.83Å; L289-H292 PolarHBondContact O-N 3.26Å; L289-T293 WeakPolarHBondContact O-CB 3.38Å; L289-T293 WeakPolarHBondContact O-CG2 3.33Å; L289-T293 PolarHBondContact O-N 3.29Å; L289-T293 PolarHBondContact O-OG1 3.09Å; L289-A309 HydrophobicContact CD2-CB 4.21Å; L289-A309 VanDerWaalsContact CD2-O 3.25Å; L289-A309 WeakPolarHBondContact CD2-O 3.44Å; L289-L312 HydrophobicContact CD2-CB 3.9Å; L289-L312 HydrophobicContact CG-CB 4.38Å; L289-L313 HydrophobicContact CD1-CD1 4.06Å; L289-L313 HydrophobicContact CD2-CB 4.17Å; L289-F329 HydrophobicContact CB-CD1 4.05Å; L289-F329 HydrophobicContact CB-CE1 3.86Å; L289-F329 HydrophobicContact CB-CE2 4.48Å; L289-F329 HydrophobicContact CB-CG 4.44Å; L289-F329 HydrophobicContact CB-CZ 4.1Å; L289-F329 HydrophobicContact CD1-CB 4.46Å; L289-F329 HydrophobicContact CD1-CD1 4.5Å; L289-F329 HydrophobicContact CD1-CD2 4Å; L289-F329 HydrophobicContact CD1-CE2 4.37Å; L289-F329 HydrophobicContact CD1-CG 4.09Å
290	C	93.8	Very high	91.1	Very high	45 Å²	45	22.7 Å²	22.7	30%	0.304	12%	0.121	S	C	.	.	H	α-helix	trans	-58.9	-40.3	174.1	-76.5	0	0	0	0	111.9	M286 L287 L288 F294 M295	M286-C290 WeakPolarHBondContact O-CB 3.46Å; M286-C290 PolarHBondContact O-N 3.14Å; M286-C290 PolarHBondContact O-SG 2.94Å; L287-C290 PolarHBondContact O-N 2.75Å; L288-C290 PolarHBondContact O-N 2.51Å; C290-F294 WeakPolarHBondContact O-CA 3.41Å; C290-F294 WeakPolarHBondContact O-CB 2.86Å; C290-F294 PolarHBondContact O-N 3.47Å; C290-M295 PolarHBondContact O-N 3.2Å
291	Y	92.4	Very high	90.3	Very high	17 Å²	17	24 Å²	24	7%	0.067	13%	0.129	C	C	.	.	I	π-helix	trans	-62.1	-52.2	177.7	173.6	-102.6	0	0	0	111.5	L241 M245 K263 L267 L287 L288 L289 M295 S296	L241-Y291 HydrophobicContact CD1-CD2 3.86Å; L241-Y291 HydrophobicContact CD1-CE2 3.87Å; L241-Y291 HydrophobicContact CD2-CD2 3.93Å; L241-Y291 HydrophobicContact CD2-CG 4.06Å; L241-Y291 HydrophobicContact CG-CD2 4.28Å; M245-Y291 HydrophobicContact SD-CD2 4.34Å; M245-Y291 HydrophobicContact SD-CE2 4.33Å; K263-Y291 WeakPolarHBondContact CE-OH 3.48Å; K263-Y291 PolarHBondContact NZ-OH 2.92Å; L267-Y291 HydrophobicContact CD1-CE1 3.97Å; L267-Y291 HydrophobicContact CD2-CD1 3.58Å; L267-Y291 HydrophobicContact CD2-CE1 3.75Å; L267-Y291 HydrophobicContact CD2-CG 4.09Å; L287-Y291 WeakPolarHBondContact O-CB 3.31Å; L287-Y291 PolarHBondContact O-N 2.66Å; L288-Y291 WeakPolarHBondContact O-CA 3.29Å; L288-Y291 WeakPolarHBondContact O-CB 3.49Å; L288-Y291 PolarHBondContact O-N 2.74Å; L289-Y291 VanDerWaalsContact C-N 3.27Å; L289-Y291 PolarHBondContact O-N 2.83Å; Y291-M295 HydrophobicContact CD2-CB 4.1Å; Y291-M295 PolarHBondContact O-N 3.37Å; Y291-S296 WeakPolarHBondContact O-CB 3.09Å; Y291-S296 PolarHBondContact O-N 3.48Å
292	H	91.3	Very high	89.2	Confident	10 Å²	10	24.2 Å²	24.2	5%	0.046	13%	0.132	C	C	.	.	I	π-helix	trans	-72.4	-35.1	-175.2	-65.7	-68.8	0	0	0	113.2	L288 L289 D308 A309	L288-H292 PolarHBondContact O-CD2 2.94Å; L288-H292 PolarHBondContact O-N 3.17Å; L289-H292 PolarHBondContact O-N 3.26Å; H292-D308 IonicContact CE1-OD2 2.69Å; H292-A309 HydrophobicContact CB-CB 4.02Å
293	T	92.6	Very high	87.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.152	C	C	.	.	I	π-helix	trans	-97.7	-23.5	-173.2	63.2	0	0	0	0	115	L289 F297 A309 R332 I333 I336	L289-T293 WeakPolarHBondContact O-CB 3.38Å; L289-T293 WeakPolarHBondContact O-CG2 3.33Å; L289-T293 PolarHBondContact O-N 3.29Å; L289-T293 PolarHBondContact O-OG1 3.09Å; T293-F297 WeakPolarHBondContact O-CB 3.26Å; T293-A309 HydrophobicContact CG2-CB 3.79Å; T293-R332 PolarHBondContact O-NE 3.38Å; T293-R332 PolarHBondContact O-NH2 3.14Å; T293-I333 HydrophobicContact CG2-CG1 3.91Å; T293-I336 HydrophobicContact CG2-CD1 4.29Å; T293-I336 VanDerWaalsContact O-CD1 3.3Å; T293-I336 WeakPolarHBondContact O-CD1 3.45Å
294	F	90.7	Very high	86.4	Confident	45 Å²	45	26.5 Å²	26.5	20%	0.197	15%	0.146	C	C	.	.	I	π-helix	trans	-119.2	-56.2	179.6	-68.1	-78.8	0	0	0	112.6	C290 F297 I298 F328 F329 R332 E367	C290-F294 WeakPolarHBondContact O-CA 3.41Å; C290-F294 WeakPolarHBondContact O-CB 2.86Å; C290-F294 PolarHBondContact O-N 3.47Å; F294-F297 PolarHBondContact O-N 3.31Å; F294-I298 HydrophobicContact CB-CD1 4.48Å; F294-I298 HydrophobicContact CD1-CD1 4.23Å; F294-I298 VanDerWaalsContact O-CB 3.29Å; F294-I298 WeakPolarHBondContact O-CB 3.35Å; F294-I298 VanDerWaalsContact O-CG1 3.28Å; F294-I298 WeakPolarHBondContact O-CG1 3.44Å; F294-I298 PolarHBondContact O-N 3.13Å; F294-F328 AromaticContact CE2-CE1 3.98Å; F294-F328 HydrophobicContact CE2-CE1 3.98Å; F294-F328 HydrophobicContact CE2-CZ 4.48Å; F294-F328 AromaticContact CZ-CE1 3.7Å; F294-F328 HydrophobicContact CZ-CE1 3.7Å; F294-F328 AromaticContact CZ-CZ 3.75Å; F294-F328 HydrophobicContact CZ-CZ 3.75Å; F294-F329 HydrophobicContact CD2-CE1 4.32Å; F294-F329 HydrophobicContact CE2-CD1 4.44Å; F294-F329 AromaticContact CE2-CE1 3.86Å; F294-F329 HydrophobicContact CE2-CE1 3.86Å; F294-R332 HydrophobicContact CE1-CG 4.33Å; F294-R332 HydrophobicContact CE2-CG 4.07Å; F294-R332 HydrophobicContact CZ-CG 3.75Å; F294-E367 WeakPolarHBondContact CE1-OE1 3.38Å
295	M	87.8	Confident	85.5	Confident	69 Å²	69	29.8 Å²	29.8	34%	0.34	16%	0.164	S	C	.	.	I	π-helix	trans	-68.5	-52.2	-170.3	-65.3	-61	-179.5	0	0	112.4	M245 C290 Y291 F297 L299	M245-M295 HydrophobicContact CE-CB 3.69Å; M245-M295 HydrophobicContact CE-CG 4.07Å; M245-M295 HydrophobicContact CE-SD 4.1Å; M245-M295 HydrophobicContact SD-CB 4.49Å; C290-M295 PolarHBondContact O-N 3.2Å; Y291-M295 HydrophobicContact CD2-CB 4.1Å; Y291-M295 PolarHBondContact O-N 3.37Å; M295-F297 VanDerWaalsContact C-N 3.27Å; M295-F297 PolarHBondContact O-N 3.13Å; M295-L299 VanDerWaalsContact O-CB 3.29Å; M295-L299 WeakPolarHBondContact O-CB 3.46Å; M295-L299 PolarHBondContact O-N 3.33Å; M295-L299 HydrophobicContact SD-CD1 4.19Å
296	S	85.1	Confident	85.1	Confident	23 Å²	23	31.1 Å²	31.1	16%	0.161	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-38.1	176.2	-166.1	0	0	0	0	111.1	Y291 G300	Y291-S296 WeakPolarHBondContact O-CB 3.09Å; Y291-S296 PolarHBondContact O-N 3.48Å; S296-G300 WeakPolarHBondContact O-CA 3.5Å; S296-G300 PolarHBondContact O-N 2.87Å
297	F	86.9	Confident	84.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-52.1	179.6	-177.4	-95.8	0	0	0	112.5	T293 F294 M295 R332 I336 W473 N474 T477 V478	T293-F297 WeakPolarHBondContact O-CB 3.26Å; F294-F297 PolarHBondContact O-N 3.31Å; M295-F297 VanDerWaalsContact C-N 3.27Å; M295-F297 PolarHBondContact O-N 3.13Å; F297-R332 VanDerWaalsContact CE1-NH2 3.34Å; F297-I336 HydrophobicContact CD2-CD1 4.47Å; F297-I336 HydrophobicContact CD2-CG1 4.15Å; F297-I336 HydrophobicContact CD2-CG2 4.05Å; F297-I336 HydrophobicContact CE2-CG1 4.29Å; F297-I336 HydrophobicContact CE2-CG2 4.19Å; F297-W473 WeakPolarHBondContact CE1-O 3.48Å; F297-N474 HydrophobicContact CD1-CB 4.45Å; F297-N474 HydrophobicContact CE1-CB 3.87Å; F297-N474 HydrophobicContact CZ-CB 4.01Å; F297-N474 PolarHBondContact O-ND2 2.89Å; F297-T477 VanDerWaalsContact CE2-OG1 3.24Å; F297-T477 WeakPolarHBondContact CE2-OG1 3.39Å; F297-T477 WeakPolarHBondContact CZ-OG1 3.35Å; F297-V478 HydrophobicContact CE2-CG2 4.12Å; F297-V478 HydrophobicContact CZ-CG2 3.73Å
298	I	84.3	Confident	84.5	Confident	34 Å²	34	36 Å²	36	17%	0.174	19%	0.194	C	C	.	.	H	α-helix	trans	-80.9	-42.6	-173.7	-61.3	171.5	0	0	0	112	F294 W473 N474	F294-I298 HydrophobicContact CB-CD1 4.48Å; F294-I298 HydrophobicContact CD1-CD1 4.23Å; F294-I298 VanDerWaalsContact O-CB 3.29Å; F294-I298 WeakPolarHBondContact O-CB 3.35Å; F294-I298 VanDerWaalsContact O-CG1 3.28Å; F294-I298 WeakPolarHBondContact O-CG1 3.44Å; F294-I298 PolarHBondContact O-N 3.13Å; I298-W473 HydrophobicContact CD1-CE3 4.05Å; I298-W473 HydrophobicContact CD1-CZ3 3.99Å; I298-N474 PolarHBondContact O-ND2 3.29Å
299	L	81.1	Confident	84.4	Confident	44 Å²	44	36.1 Å²	36.1	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-96	-17.8	-174.3	-56.3	179.3	0	0	0	113.2	M245 M295 F596 R597	M245-L299 HydrophobicContact CE-CD1 3.81Å; M295-L299 VanDerWaalsContact O-CB 3.29Å; M295-L299 WeakPolarHBondContact O-CB 3.46Å; M295-L299 PolarHBondContact O-N 3.33Å; M295-L299 HydrophobicContact SD-CD1 4.19Å; L299-F596 HydrophobicContact CB-CB 4.16Å; L299-F596 HydrophobicContact CD2-CD2 3.96Å; L299-F596 CarbonylContact O-C 3.6Å; L299-R597 WeakPolarHBondContact O-CA 3.4Å; L299-R597 PolarHBondContact O-N 3.14Å
300	G	81.3	Confident	84.4	Confident	9 Å²	9	38.7 Å²	38.7	9%	0.093	21%	0.207	C	C	.	.	S	Bend	trans	-92.4	-155.6	177.2	0	0	0	0	0	113.7	S296 G302 R597	S296-G300 WeakPolarHBondContact O-CA 3.5Å; S296-G300 PolarHBondContact O-N 2.87Å; G300-G302 PolarHBondContact O-N 3.07Å; G300-R597 WeakPolarHBondContact O-CG 3.32Å
301	T	76.9	Confident	84.4	Confident	27 Å²	27	42.8 Å²	42.8	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-80.6	3.7	-179.9	54.5	0	0	0	0	113.3	E303 L563 A600 A601	T301-E303 PolarHBondContact O-N 2.8Å; T301-L563 HydrophobicContact CG2-CD2 3.88Å; T301-A600 HydrophobicContact CG2-CB 4.36Å; T301-A601 HydrophobicContact CG2-CB 4.2Å
302	G	69	Low	84.5	Confident	9 Å²	9	42.5 Å²	42.5	9%	0.093	22%	0.215	C	C	.	.	S	Bend	trans	82.3	-4.1	-175.9	0	0	0	0	0	114.4	G300 G304	G300-G302 PolarHBondContact O-N 3.07Å; G302-G304 PolarHBondContact O-N 2.76Å; G302-G304 VanDerWaalsContact O-N 3.17Å
303	E	66.7	Low	84.8	Confident	111 Å²	111	42.2 Å²	42.2	52%	0.519	21%	0.214	S	C	.	.			trans	-82.1	83.9	167.5	-64.7	172.1	-165.5	0	0	108.1	T301 K604	T301-E303 PolarHBondContact O-N 2.8Å; E303-K604 IonicContact OE1-NZ 3.71Å; E303-K604 PolarHBondContact OE1-NZ 2.78Å; E303-K604 IonicContact OE2-NZ 2.68Å; E303-K604 PolarHBondContact OE2-NZ 3.32Å
304	G	62.8	Low	84.9	Confident	18 Å²	18	46.5 Å²	46.5	19%	0.186	23%	0.234	C	C	.	.			trans	-69.6	147.3	166.4	0	0	0	0	0	110.2	G302 V306	G302-G304 PolarHBondContact O-N 2.76Å; G302-G304 VanDerWaalsContact O-N 3.17Å; G304-V306 VanDerWaalsContact C-N 3.28Å; G304-V306 PolarHBondContact O-N 3.49Å
305	D	77.3	Confident	85.1	Confident	70 Å²	70	48 Å²	48	37%	0.374	25%	0.248	S	C	.	.			trans	-81.4	82.8	170.6	-162	-33.3	0	0	0	108.8	E307 D308 A309	D305-E307 VanDerWaalsContact C-N 3.3Å; D305-D308 HydrophobicContact CB-CB 4.22Å; D305-D308 WeakPolarHBondContact OD1-CB 3.45Å; D305-D308 PolarHBondContact OD1-N 2.89Å; D305-A309 PolarHBondContact O-N 3.27Å; D305-A309 VanDerWaalsContact O-N 3.15Å
306	V	85.9	Confident	85.4	Confident	31 Å²	31	46.7 Å²	46.7	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-36.2	-176.5	176.6	0	0	0	0	110.9	G304 A309 E310 I333 I336 K337	G304-V306 VanDerWaalsContact C-N 3.28Å; G304-V306 PolarHBondContact O-N 3.49Å; V306-A309 PolarHBondContact O-N 3.34Å; V306-E310 HydrophobicContact CG1-CG 4.41Å; V306-E310 WeakPolarHBondContact O-CG 3.47Å; V306-E310 PolarHBondContact O-N 3.41Å; V306-I333 HydrophobicContact CG1-CG2 4.06Å; V306-I336 HydrophobicContact CG2-CB 4.48Å; V306-I336 HydrophobicContact CG2-CG2 3.65Å; V306-K337 HydrophobicContact CG1-CD 3.71Å; V306-K337 HydrophobicContact CG1-CG 3.62Å
307	E	89.7	Confident	86	Confident	157 Å²	157	47.4 Å²	47.4	73%	0.734	24%	0.241	S	C	*	.	H	α-helix	trans	-64.7	-44.9	-179.1	-64.8	-178.1	-173.9	0	0	110.9	D305 E310 R311	D305-E307 VanDerWaalsContact C-N 3.3Å; E307-E310 PolarHBondContact O-N 2.91Å; E307-R311 WeakPolarHBondContact O-CB 3.39Å; E307-R311 PolarHBondContact O-N 3.43Å
308	D	89.4	Confident	86.5	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-42.2	173.6	-92.2	-22.5	0	0	0	112	H292 D305 E310 R311 L312	H292-D308 IonicContact CE1-OD2 2.69Å; D305-D308 HydrophobicContact CB-CB 4.22Å; D305-D308 WeakPolarHBondContact OD1-CB 3.45Å; D305-D308 PolarHBondContact OD1-N 2.89Å; D308-E310 PolarHBondContact O-N 3.09Å; D308-R311 PolarHBondContact O-N 3.36Å; D308-R311 IonicContact OD1-CZ 2.8Å; D308-R311 IonicContact OD1-NE 2.64Å; D308-R311 PolarHBondContact OD1-NE 2.93Å; D308-R311 IonicContact OD1-NH2 3.52Å; D308-R311 PolarHBondContact OD1-NH2 3.21Å; D308-L312 VanDerWaalsContact O-CB 3.31Å; D308-L312 WeakPolarHBondContact O-CB 3.43Å; D308-L312 WeakPolarHBondContact O-CD1 3.22Å; D308-L312 WeakPolarHBondContact O-CG 3.42Å; D308-L312 PolarHBondContact O-N 3.44Å
309	A	93.1	Very high	87	Confident	1 Å²	1	60 Å²	60	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-43.3	177.3	0	0	0	0	0	112.2	L289 H292 T293 D305 V306 L312 L313 I333	L289-A309 HydrophobicContact CD2-CB 4.21Å; L289-A309 VanDerWaalsContact CD2-O 3.25Å; L289-A309 WeakPolarHBondContact CD2-O 3.44Å; H292-A309 HydrophobicContact CB-CB 4.02Å; T293-A309 HydrophobicContact CG2-CB 3.79Å; D305-A309 PolarHBondContact O-N 3.27Å; D305-A309 VanDerWaalsContact O-N 3.15Å; V306-A309 PolarHBondContact O-N 3.34Å; A309-L312 PolarHBondContact O-N 2.97Å; A309-L313 WeakPolarHBondContact O-CB 3.42Å; A309-L313 PolarHBondContact O-N 3.03Å; A309-L313 VanDerWaalsContact O-N 3.07Å; A309-I333 HydrophobicContact CB-CD1 3.83Å; A309-I333 HydrophobicContact CB-CG1 4.07Å
310	E	94.8	Very high	87.8	Confident	55 Å²	55	58.5 Å²	58.5	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-51.4	174.8	-77	179.7	159.7	0	0	110.9	V306 E307 D308 L312 L313 Q314 I333 K337	V306-E310 HydrophobicContact CG1-CG 4.41Å; V306-E310 WeakPolarHBondContact O-CG 3.47Å; V306-E310 PolarHBondContact O-N 3.41Å; E307-E310 PolarHBondContact O-N 2.91Å; D308-E310 PolarHBondContact O-N 3.09Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 2.94Å; E310-L313 PolarHBondContact O-N 3.02Å; E310-Q314 VanDerWaalsContact O-CG 3.26Å; E310-Q314 WeakPolarHBondContact O-CG 3.29Å; E310-Q314 PolarHBondContact O-N 2.9Å; E310-I333 HydrophobicContact CG-CD1 4.27Å; E310-I333 HydrophobicContact CG-CG2 3.56Å; E310-K337 WeakPolarHBondContact OE1-CD 3.37Å; E310-K337 WeakPolarHBondContact OE1-CE 3.48Å; E310-K337 IonicContact OE1-NZ 3.87Å; E310-K337 PolarHBondContact OE1-NZ 3.06Å
311	R	94.1	Very high	88.5	Confident	131 Å²	131	62.3 Å²	62.3	49%	0.494	31%	0.31	S	S	.	.	H	α-helix	trans	-55.3	-42.3	179.7	-178.4	-179.6	61	77.9	-0.8	112.3	E307 D308 P315	E307-R311 WeakPolarHBondContact O-CB 3.39Å; E307-R311 PolarHBondContact O-N 3.43Å; D308-R311 PolarHBondContact O-N 3.36Å; D308-R311 IonicContact OD1-CZ 2.8Å; D308-R311 IonicContact OD1-NE 2.64Å; D308-R311 PolarHBondContact OD1-NE 2.93Å; D308-R311 IonicContact OD1-NH2 3.52Å; D308-R311 PolarHBondContact OD1-NH2 3.21Å; R311-P315 WeakPolarHBondContact O-CD 3.38Å
312	L	94.2	Very high	89.4	Confident	11 Å²	11	68.4 Å²	68.4	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-33.4	178.1	-74.4	171.3	0	0	0	113	N285 L288 L289 D308 A309 E310	N285-L312 PolarHBondContact ND2-O 3.2Å; N285-L312 VanDerWaalsContact OD1-CB 3.28Å; N285-L312 WeakPolarHBondContact OD1-CB 3.49Å; N285-L312 VanDerWaalsContact OD1-CD2 3.26Å; N285-L312 WeakPolarHBondContact OD1-CD2 3.48Å; L288-L312 HydrophobicContact CB-CD1 3.58Å; L288-L312 HydrophobicContact CD1-CD1 4.21Å; L288-L312 HydrophobicContact CD1-CD2 4.03Å; L288-L312 HydrophobicContact CG-CD1 4.47Å; L289-L312 HydrophobicContact CD2-CB 3.9Å; L289-L312 HydrophobicContact CG-CB 4.38Å; D308-L312 VanDerWaalsContact O-CB 3.31Å; D308-L312 WeakPolarHBondContact O-CB 3.43Å; D308-L312 WeakPolarHBondContact O-CD1 3.22Å; D308-L312 WeakPolarHBondContact O-CG 3.42Å; D308-L312 PolarHBondContact O-N 3.44Å; A309-L312 PolarHBondContact O-N 2.97Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 2.94Å
313	L	96.3	Very high	90.7	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-84.1	-36.3	-176.5	-175.7	62.2	0	0	0	113.3	L289 A309 E310 Y316 L317 F326 F329 A330 I333	L289-L313 HydrophobicContact CD1-CD1 4.06Å; L289-L313 HydrophobicContact CD2-CB 4.17Å; A309-L313 WeakPolarHBondContact O-CB 3.42Å; A309-L313 PolarHBondContact O-N 3.03Å; A309-L313 VanDerWaalsContact O-N 3.07Å; E310-L313 PolarHBondContact O-N 3.02Å; L313-Y316 WeakPolarHBondContact O-CB 3.43Å; L313-Y316 PolarHBondContact O-N 3.1Å; L313-L317 HydrophobicContact CD1-CG 4.34Å; L313-L317 HydrophobicContact CD2-CD1 3.84Å; L313-L317 HydrophobicContact CD2-CG 4.33Å; L313-L317 HydrophobicContact CG-CD1 3.78Å; L313-L317 HydrophobicContact CG-CG 3.92Å; L313-L317 PolarHBondContact O-N 3.07Å; L313-L317 VanDerWaalsContact O-N 3.08Å; L313-F326 HydrophobicContact CD1-CB 3.98Å; L313-F326 HydrophobicContact CD1-CD1 3.86Å; L313-F326 HydrophobicContact CD1-CG 4.39Å; L313-F329 HydrophobicContact CD1-CB 4.01Å; L313-F329 HydrophobicContact CD2-CB 3.93Å; L313-A330 HydrophobicContact CD2-CB 3.91Å; L313-I333 HydrophobicContact CB-CD1 4.34Å; L313-I333 HydrophobicContact CD2-CD1 3.73Å
314	Q	95.8	Very high	92.2	Very high	91 Å²	91	62.8 Å²	62.8	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-51.3	-44.7	-172.2	-76.9	-62.4	-36.1	0	0	115.1	E310 Y316 L317 K318	E310-Q314 VanDerWaalsContact O-CG 3.26Å; E310-Q314 WeakPolarHBondContact O-CG 3.29Å; E310-Q314 PolarHBondContact O-N 2.9Å; Q314-Y316 PolarHBondContact O-N 3.42Å; Q314-L317 PolarHBondContact O-N 3.13Å; Q314-K318 WeakPolarHBondContact O-CG 3.24Å; Q314-K318 PolarHBondContact O-N 3.26Å; Q314-K318 VanDerWaalsContact O-N 3.13Å
315	P	94.5	Very high	93.7	Very high	77 Å²	77	62.9 Å²	62.9	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-34.8	177.5	-23.8	34.9	0	0	0	113	R311 K319	R311-P315 WeakPolarHBondContact O-CD 3.38Å; P315-K319 PolarHBondContact O-N 3Å; P315-K319 VanDerWaalsContact O-N 3.13Å
316	Y	95.4	Very high	94.7	Very high	42 Å²	42	59.6 Å²	59.6	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-78.2	-36.2	-179.1	-70.1	-91.3	0	0	0	112.3	F282 N285 L313 Q314 K318 K319 Y320 F326	F282-Y316 HydrophobicContact CD2-CD1 4.46Å; F282-Y316 AromaticContact CD2-CE1 3.86Å; F282-Y316 HydrophobicContact CD2-CE1 3.86Å; N285-Y316 HydrophobicContact CB-CE2 4.22Å; N285-Y316 WeakPolarHBondContact ND2-CD2 3.44Å; N285-Y316 WeakPolarHBondContact ND2-CE2 3.47Å; L313-Y316 WeakPolarHBondContact O-CB 3.43Å; L313-Y316 PolarHBondContact O-N 3.1Å; Q314-Y316 PolarHBondContact O-N 3.42Å; Y316-K318 VanDerWaalsContact C-N 3.29Å; Y316-K318 PolarHBondContact O-N 2.74Å; Y316-K319 PolarHBondContact O-N 3.23Å; Y316-Y320 HydrophobicContact CD1-CD2 4.05Å; Y316-Y320 AromaticContact CD1-CE2 3.92Å; Y316-Y320 HydrophobicContact CD1-CE2 3.92Å; Y316-Y320 WeakPolarHBondContact O-CA 3.33Å; Y316-Y320 WeakPolarHBondContact O-CB 3.48Å; Y316-Y320 PolarHBondContact O-N 3.18Å; Y316-F326 VanDerWaalsContact CB-CD1 3.43Å; Y316-F326 HydrophobicContact CD1-CD1 4.35Å; Y316-F326 AromaticContact CD1-CE1 3.41Å; Y316-F326 HydrophobicContact CD1-CE1 3.41Å; Y316-F326 VanDerWaalsContact CD1-CE1 3.41Å; Y316-F326 HydrophobicContact CD1-CE2 4.26Å; Y316-F326 AromaticContact CD1-CZ 3.35Å; Y316-F326 HydrophobicContact CD1-CZ 3.35Å; Y316-F326 HydrophobicContact CE1-CE1 4.31Å; Y316-F326 HydrophobicContact CE1-CZ 4.22Å; Y316-F326 HydrophobicContact CG-CD1 4.07Å; Y316-F326 AromaticContact CG-CE1 3.52Å; Y316-F326 HydrophobicContact CG-CE1 3.52Å; Y316-F326 AromaticContact CG-CZ 3.9Å; Y316-F326 HydrophobicContact CG-CZ 3.9Å
317	L	96.8	Very high	95.3	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-37.4	171.3	-74.5	170.8	0	0	0	111.9	L313 Q314 Y320 P321 F326 A330	L313-L317 HydrophobicContact CD1-CG 4.34Å; L313-L317 HydrophobicContact CD2-CD1 3.84Å; L313-L317 HydrophobicContact CD2-CG 4.33Å; L313-L317 HydrophobicContact CG-CD1 3.78Å; L313-L317 HydrophobicContact CG-CG 3.92Å; L313-L317 PolarHBondContact O-N 3.07Å; L313-L317 VanDerWaalsContact O-N 3.08Å; Q314-L317 PolarHBondContact O-N 3.13Å; L317-Y320 CarbonylContact O-C 3.53Å; L317-P321 WeakPolarHBondContact O-CA 3.37Å; L317-F326 HydrophobicContact CD2-CB 3.82Å; L317-F326 HydrophobicContact CG-CB 4.38Å; L317-A330 HydrophobicContact CD1-CB 4.13Å; L317-A330 HydrophobicContact CD2-CB 4.28Å
318	K	96.8	Very high	95.7	Very high	171 Å²	171	51.7 Å²	51.7	74%	0.743	25%	0.245	S	C	*	.	H	α-helix	trans	-65.1	-41.3	174.5	-70.9	175.7	-176.7	178.3	0	112.3	Q314 Y316	Q314-K318 WeakPolarHBondContact O-CG 3.24Å; Q314-K318 PolarHBondContact O-N 3.26Å; Q314-K318 VanDerWaalsContact O-N 3.13Å; Y316-K318 VanDerWaalsContact C-N 3.29Å; Y316-K318 PolarHBondContact O-N 2.74Å
319	K	95.9	Very high	96.1	Very high	131 Å²	131	50.7 Å²	50.7	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-79	-35.8	-178.1	-169.4	175.5	177.9	-161.8	0	113	D89 P315 Y316	D89-K319 IonicContact OD1-NZ 3.16Å; D89-K319 PolarHBondContact OD1-NZ 2.98Å; P315-K319 PolarHBondContact O-N 3Å; P315-K319 VanDerWaalsContact O-N 3.13Å; Y316-K319 PolarHBondContact O-N 3.23Å
320	Y	96.6	Very high	96.4	Very high	12 Å²	12	51.1 Å²	51.1	5%	0.047	24%	0.243	C	C	.	.			trans	-130.8	66	-173.2	-51.7	-71.4	0	0	0	110.5	D89 L92 R93 Y316 L317 K322 G323 F326	D89-Y320 VanDerWaalsContact OD1-CE1 3.26Å; D89-Y320 WeakPolarHBondContact OD1-CE1 3.48Å; D89-Y320 PolarHBondContact OD1-OH 3.43Å; L92-Y320 HydrophobicContact CB-CD1 4Å; L92-Y320 HydrophobicContact CB-CD2 4.33Å; L92-Y320 HydrophobicContact CB-CE1 3.8Å; L92-Y320 HydrophobicContact CB-CE2 4.12Å; L92-Y320 HydrophobicContact CB-CG 4.26Å; L92-Y320 HydrophobicContact CD1-CE2 3.76Å; R93-Y320 HydrophobicContact CG-CD1 3.73Å; R93-Y320 HydrophobicContact CG-CE1 4.01Å; Y316-Y320 HydrophobicContact CD1-CD2 4.05Å; Y316-Y320 AromaticContact CD1-CE2 3.92Å; Y316-Y320 HydrophobicContact CD1-CE2 3.92Å; Y316-Y320 WeakPolarHBondContact O-CA 3.33Å; Y316-Y320 WeakPolarHBondContact O-CB 3.48Å; Y316-Y320 PolarHBondContact O-N 3.18Å; L317-Y320 CarbonylContact O-C 3.53Å; Y320-K322 PolarHBondContact O-N 2.96Å; Y320-G323 PolarHBondContact O-N 2.74Å; Y320-F326 HydrophobicContact CD2-CD2 4.03Å; Y320-F326 AromaticContact CD2-CE2 3.3Å; Y320-F326 HydrophobicContact CD2-CE2 3.3Å; Y320-F326 AromaticContact CD2-CZ 3.82Å; Y320-F326 HydrophobicContact CD2-CZ 3.82Å; Y320-F326 HydrophobicContact CE2-CE2 4.13Å; Y320-F326 HydrophobicContact CE2-CZ 4.3Å; Y320-F326 HydrophobicContact CG-CD2 4.15Å; Y320-F326 AromaticContact CG-CE2 3.66Å; Y320-F326 HydrophobicContact CG-CE2 3.66Å
321	P	96.4	Very high	96.5	Very high	89 Å²	89	48.5 Å²	48.5	58%	0.578	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.4	-172.3	24.8	-35.6	0	0	0	114.2	L317	L317-P321 WeakPolarHBondContact O-CA 3.37Å
322	K	96.2	Very high	96.7	Very high	155 Å²	155	42.7 Å²	42.7	67%	0.674	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	6.4	174.9	-63.6	-169.3	175.3	-170.8	0	113.5	N94 Y320 S324 A353	N94-K322 PolarHBondContact ND2-O 3.39Å; Y320-K322 PolarHBondContact O-N 2.96Å; K322-S324 PolarHBondContact O-N 3.22Å; K322-A353 WeakPolarHBondContact O-CB 3.45Å
323	G	97.3	Very high	96.8	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.207	C	C	.	.			trans	-66.5	120.9	-179.2	0	0	0	0	0	110.4	L92 Y320 I325 F326 L327	L92-G323 WeakPolarHBondContact O-CA 3.37Å; Y320-G323 PolarHBondContact O-N 2.74Å; G323-I325 VanDerWaalsContact C-N 3.26Å; G323-I325 PolarHBondContact O-N 3.42Å; G323-F326 PolarHBondContact O-N 3.2Å; G323-L327 PolarHBondContact O-N 3.45Å
324	S	96.4	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-37	-170.8	-52.4	0	0	0	0	112.4	N94 K322 F326 F328 C350 Q354	N94-S324 PolarHBondContact ND2-OG 3.41Å; N94-S324 WeakPolarHBondContact OD1-CB 3.42Å; N94-S324 PolarHBondContact OD1-N 3.33Å; N94-S324 PolarHBondContact OD1-OG 3.38Å; K322-S324 PolarHBondContact O-N 3.22Å; S324-F326 VanDerWaalsContact C-N 3.29Å; S324-F326 PolarHBondContact O-N 2.79Å; S324-F328 VanDerWaalsContact O-CB 3.29Å; S324-F328 WeakPolarHBondContact O-CB 3.49Å; S324-F328 PolarHBondContact O-N 3.19Å; S324-C350 PolarHBondContact O-SG 3.08Å; S324-Q354 WeakPolarHBondContact OG-CG 3.44Å
325	I	95.9	Very high	96.9	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.097	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-45.1	175.5	-66.2	169.8	0	0	0	110.6	F91 L92 F282 M286 G323 F329 F360	F91-I325 HydrophobicContact CE1-CD1 3.96Å; L92-I325 HydrophobicContact CD2-CD1 4.08Å; F282-I325 HydrophobicContact CZ-CD1 4.13Å; M286-I325 HydrophobicContact SD-CG2 3.61Å; G323-I325 VanDerWaalsContact C-N 3.26Å; G323-I325 PolarHBondContact O-N 3.42Å; I325-F329 HydrophobicContact CG2-CD2 4.01Å; I325-F329 HydrophobicContact CG2-CE2 3.99Å; I325-F329 WeakPolarHBondContact O-CD2 3.2Å; I325-F329 PolarHBondContact O-N 2.99Å; I325-F329 VanDerWaalsContact O-N 3.14Å; I325-F360 HydrophobicContact CD1-CE1 4.45Å; I325-F360 HydrophobicContact CD1-CZ 4.26Å; I325-F360 HydrophobicContact CG1-CE1 3.54Å; I325-F360 HydrophobicContact CG1-CZ 3.77Å
326	F	97.7	Very high	96.9	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-78.9	-37.3	-174.1	-51.1	-61.2	0	0	0	112.2	L92 F282 M286 L313 Y316 L317 Y320 G323 S324 F328 F329 A330	L92-F326 HydrophobicContact CB-CE2 4.15Å; L92-F326 HydrophobicContact CD1-CZ 4.2Å; L92-F326 HydrophobicContact CD2-CE2 4.13Å; L92-F326 HydrophobicContact CD2-CZ 3.85Å; L92-F326 HydrophobicContact CG-CZ 4.4Å; F282-F326 HydrophobicContact CD2-CE1 4.42Å; F282-F326 HydrophobicContact CD2-CZ 4.28Å; F282-F326 AromaticContact CE2-CE1 3.86Å; F282-F326 HydrophobicContact CE2-CE1 3.86Å; F282-F326 AromaticContact CE2-CZ 3.78Å; F282-F326 HydrophobicContact CE2-CZ 3.78Å; M286-F326 HydrophobicContact CE-CD1 4.42Å; M286-F326 HydrophobicContact CE-CE1 3.83Å; M286-F326 HydrophobicContact SD-CE1 4.48Å; L313-F326 HydrophobicContact CD1-CB 3.98Å; L313-F326 HydrophobicContact CD1-CD1 3.86Å; L313-F326 HydrophobicContact CD1-CG 4.39Å; Y316-F326 VanDerWaalsContact CB-CD1 3.43Å; Y316-F326 HydrophobicContact CD1-CD1 4.35Å; Y316-F326 AromaticContact CD1-CE1 3.41Å; Y316-F326 HydrophobicContact CD1-CE1 3.41Å; Y316-F326 VanDerWaalsContact CD1-CE1 3.41Å; Y316-F326 HydrophobicContact CD1-CE2 4.26Å; Y316-F326 AromaticContact CD1-CZ 3.35Å; Y316-F326 HydrophobicContact CD1-CZ 3.35Å; Y316-F326 HydrophobicContact CE1-CE1 4.31Å; Y316-F326 HydrophobicContact CE1-CZ 4.22Å; Y316-F326 HydrophobicContact CG-CD1 4.07Å; Y316-F326 AromaticContact CG-CE1 3.52Å; Y316-F326 HydrophobicContact CG-CE1 3.52Å; Y316-F326 AromaticContact CG-CZ 3.9Å; Y316-F326 HydrophobicContact CG-CZ 3.9Å; L317-F326 HydrophobicContact CD2-CB 3.82Å; L317-F326 HydrophobicContact CG-CB 4.38Å; Y320-F326 HydrophobicContact CD2-CD2 4.03Å; Y320-F326 AromaticContact CD2-CE2 3.3Å; Y320-F326 HydrophobicContact CD2-CE2 3.3Å; Y320-F326 AromaticContact CD2-CZ 3.82Å; Y320-F326 HydrophobicContact CD2-CZ 3.82Å; Y320-F326 HydrophobicContact CE2-CE2 4.13Å; Y320-F326 HydrophobicContact CE2-CZ 4.3Å; Y320-F326 HydrophobicContact CG-CD2 4.15Å; Y320-F326 AromaticContact CG-CE2 3.66Å; Y320-F326 HydrophobicContact CG-CE2 3.66Å; G323-F326 PolarHBondContact O-N 3.2Å; S324-F326 VanDerWaalsContact C-N 3.29Å; S324-F326 PolarHBondContact O-N 2.79Å; F326-F328 VanDerWaalsContact C-N 3.33Å; F326-F329 PolarHBondContact O-N 3.41Å; F326-A330 WeakPolarHBondContact O-CB 3.2Å; F326-A330 PolarHBondContact O-N 3.02Å
327	L	98.3	Very high	96.8	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.052	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-41.9	171.6	-71.1	174.1	0	0	0	111.4	G323 A330 G331 L346 C350 A353	G323-L327 PolarHBondContact O-N 3.45Å; L327-A330 PolarHBondContact O-N 3.38Å; L327-G331 PolarHBondContact O-N 3.46Å; L327-L346 HydrophobicContact CD2-CD2 4.28Å; L327-C350 HydrophobicContact CB-CB 3.74Å; L327-C350 HydrophobicContact CD1-CB 4.45Å; L327-A353 HydrophobicContact CD1-CB 4.03Å
328	F	98.2	Very high	96.7	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-50	174.5	175.2	-99.1	0	0	0	112	F294 S324 F326 A330 G331 R332 F347 M363 E367	F294-F328 AromaticContact CE2-CE1 3.98Å; F294-F328 HydrophobicContact CE2-CE1 3.98Å; F294-F328 HydrophobicContact CE2-CZ 4.48Å; F294-F328 AromaticContact CZ-CE1 3.7Å; F294-F328 HydrophobicContact CZ-CE1 3.7Å; F294-F328 AromaticContact CZ-CZ 3.75Å; F294-F328 HydrophobicContact CZ-CZ 3.75Å; S324-F328 VanDerWaalsContact O-CB 3.29Å; S324-F328 WeakPolarHBondContact O-CB 3.49Å; S324-F328 PolarHBondContact O-N 3.19Å; F326-F328 VanDerWaalsContact C-N 3.33Å; F328-A330 VanDerWaalsContact C-N 3.3Å; F328-A330 PolarHBondContact O-N 3.03Å; F328-G331 PolarHBondContact O-N 3.34Å; F328-R332 WeakPolarHBondContact O-CB 3.41Å; F328-R332 PolarHBondContact O-N 3.49Å; F328-F347 HydrophobicContact CD2-CD1 4.15Å; F328-F347 AromaticContact CD2-CE1 3.88Å; F328-F347 HydrophobicContact CD2-CE1 3.88Å; F328-F347 HydrophobicContact CE2-CE1 4.08Å; F328-F347 WeakPolarHBondContact O-CE1 3.06Å; F328-M363 HydrophobicContact CD2-CB 4.07Å; F328-M363 HydrophobicContact CE2-CB 3.63Å; F328-M363 HydrophobicContact CZ-CB 4.07Å; F328-E367 HydrophobicContact CE2-CG 3.76Å; F328-E367 HydrophobicContact CZ-CG 4.13Å
329	F	97.8	Very high	96.7	Very high	14 Å²	14	30.7 Å²	30.7	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-33.1	177.5	-80.9	-66.4	0	0	0	112.9	M286 L289 F294 L313 I325 F326 R332 I333	M286-F329 HydrophobicContact SD-CD2 4.32Å; M286-F329 HydrophobicContact SD-CE2 3.82Å; L289-F329 HydrophobicContact CB-CD1 4.05Å; L289-F329 HydrophobicContact CB-CE1 3.86Å; L289-F329 HydrophobicContact CB-CE2 4.48Å; L289-F329 HydrophobicContact CB-CG 4.44Å; L289-F329 HydrophobicContact CB-CZ 4.1Å; L289-F329 HydrophobicContact CD1-CB 4.46Å; L289-F329 HydrophobicContact CD1-CD1 4.5Å; L289-F329 HydrophobicContact CD1-CD2 4Å; L289-F329 HydrophobicContact CD1-CE2 4.37Å; L289-F329 HydrophobicContact CD1-CG 4.09Å; F294-F329 HydrophobicContact CD2-CE1 4.32Å; F294-F329 HydrophobicContact CE2-CD1 4.44Å; F294-F329 AromaticContact CE2-CE1 3.86Å; F294-F329 HydrophobicContact CE2-CE1 3.86Å; L313-F329 HydrophobicContact CD1-CB 4.01Å; L313-F329 HydrophobicContact CD2-CB 3.93Å; I325-F329 HydrophobicContact CG2-CD2 4.01Å; I325-F329 HydrophobicContact CG2-CE2 3.99Å; I325-F329 WeakPolarHBondContact O-CD2 3.2Å; I325-F329 PolarHBondContact O-N 2.99Å; I325-F329 VanDerWaalsContact O-N 3.14Å; F326-F329 PolarHBondContact O-N 3.41Å; F329-R332 PolarHBondContact O-N 2.8Å; F329-I333 WeakPolarHBondContact O-CB 3.43Å; F329-I333 VanDerWaalsContact O-CG1 3.31Å; F329-I333 WeakPolarHBondContact O-CG1 2.88Å; F329-I333 PolarHBondContact O-N 3.31Å
330	A	98.3	Very high	96.8	Very high	10 Å²	10	24.7 Å²	24.7	8%	0.083	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-48.3	174.6	0	0	0	0	0	110.8	L313 L317 F326 L327 F328 R332 I333 E334 L346	L313-A330 HydrophobicContact CD2-CB 3.91Å; L317-A330 HydrophobicContact CD1-CB 4.13Å; L317-A330 HydrophobicContact CD2-CB 4.28Å; F326-A330 WeakPolarHBondContact O-CB 3.2Å; F326-A330 PolarHBondContact O-N 3.02Å; L327-A330 PolarHBondContact O-N 3.38Å; F328-A330 VanDerWaalsContact C-N 3.3Å; F328-A330 PolarHBondContact O-N 3.03Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 2.68Å; A330-I333 PolarHBondContact O-N 3.3Å; A330-E334 PolarHBondContact O-N 3.18Å; A330-E334 VanDerWaalsContact O-N 3.08Å; A330-L346 HydrophobicContact CB-CD1 3.98Å; A330-L346 HydrophobicContact CB-CD2 4.3Å
331	G	98.2	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-42.7	175.3	0	0	0	0	0	111.9	L327 F328 I333 E334 E335 A343	L327-G331 PolarHBondContact O-N 3.46Å; F328-G331 PolarHBondContact O-N 3.34Å; G331-I333 VanDerWaalsContact C-N 3.35Å; G331-I333 PolarHBondContact O-N 3.11Å; G331-E334 PolarHBondContact O-N 3.46Å; G331-E335 WeakPolarHBondContact O-CB 3.33Å; G331-E335 PolarHBondContact O-N 3.28Å; G331-A343 WeakPolarHBondContact O-CB 3.47Å
332	R	96.9	Very high	97	Very high	8 Å²	8	28.6 Å²	28.6	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-38.6	178.3	-178.2	61.7	-172.5	149.3	8.4	112.9	T293 F294 F297 F328 F329 A330 E335 I336 F347 E367	T293-R332 PolarHBondContact O-NE 3.38Å; T293-R332 PolarHBondContact O-NH2 3.14Å; F294-R332 HydrophobicContact CE1-CG 4.33Å; F294-R332 HydrophobicContact CE2-CG 4.07Å; F294-R332 HydrophobicContact CZ-CG 3.75Å; F297-R332 VanDerWaalsContact CE1-NH2 3.34Å; F328-R332 WeakPolarHBondContact O-CB 3.41Å; F328-R332 PolarHBondContact O-N 3.49Å; F329-R332 PolarHBondContact O-N 2.8Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 2.68Å; R332-E335 WeakPolarHBondContact CD-OE2 3.47Å; R332-E335 IonicContact CZ-OE2 3.61Å; R332-E335 IonicContact NH1-OE1 3.93Å; R332-E335 IonicContact NH1-OE2 3.04Å; R332-E335 PolarHBondContact NH1-OE2 3.22Å; R332-E335 PolarHBondContact O-N 3.13Å; R332-I336 HydrophobicContact CG-CD1 4.26Å; R332-I336 VanDerWaalsContact O-CG1 3.29Å; R332-I336 WeakPolarHBondContact O-CG1 3.47Å; R332-I336 PolarHBondContact O-N 3.3Å; R332-I336 VanDerWaalsContact O-N 3.09Å; R332-F347 HydrophobicContact CB-CZ 4.37Å; R332-F347 VanDerWaalsContact N-CZ 3.32Å; R332-E367 IonicContact NH1-OE2 3.43Å
333	I	96.7	Very high	97.1	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-47.6	175.2	-77.6	169.8	0	0	0	110.6	T293 V306 A309 E310 L313 F329 A330 G331 E335 I336 K337	T293-I333 HydrophobicContact CG2-CG1 3.91Å; V306-I333 HydrophobicContact CG1-CG2 4.06Å; A309-I333 HydrophobicContact CB-CD1 3.83Å; A309-I333 HydrophobicContact CB-CG1 4.07Å; E310-I333 HydrophobicContact CG-CD1 4.27Å; E310-I333 HydrophobicContact CG-CG2 3.56Å; L313-I333 HydrophobicContact CB-CD1 4.34Å; L313-I333 HydrophobicContact CD2-CD1 3.73Å; F329-I333 WeakPolarHBondContact O-CB 3.43Å; F329-I333 VanDerWaalsContact O-CG1 3.31Å; F329-I333 WeakPolarHBondContact O-CG1 2.88Å; F329-I333 PolarHBondContact O-N 3.31Å; A330-I333 PolarHBondContact O-N 3.3Å; G331-I333 VanDerWaalsContact C-N 3.35Å; G331-I333 PolarHBondContact O-N 3.11Å; I333-E335 VanDerWaalsContact C-N 3.3Å; I333-E335 PolarHBondContact O-N 2.92Å; I333-I336 PolarHBondContact O-N 3.48Å; I333-K337 HydrophobicContact CG2-CD 3.92Å; I333-K337 WeakPolarHBondContact O-CG 3.29Å; I333-K337 PolarHBondContact O-N 3.46Å
334	E	97.7	Very high	97.2	Very high	33 Å²	33	21.8 Å²	21.8	15%	0.154	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-36.1	177.5	-68.8	-55.6	139.4	0	0	112.1	A330 G331 K337 G338 N339 E342 A343 L346	A330-E334 PolarHBondContact O-N 3.18Å; A330-E334 VanDerWaalsContact O-N 3.08Å; G331-E334 PolarHBondContact O-N 3.46Å; E334-K337 WeakPolarHBondContact O-CB 3.43Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 IonicContact OE1-NZ 3.99Å; E334-K337 PolarHBondContact OE1-NZ 3.44Å; E334-K337 IonicContact OE2-NZ 2.66Å; E334-G338 PolarHBondContact O-N 2.88Å; E334-N339 HydrophobicContact CB-CB 4.23Å; E334-N339 PolarHBondContact O-N 2.83Å; E334-N339 WeakPolarHBondContact OE2-CB 3.43Å; E334-N339 PolarHBondContact OE2-ND2 2.88Å; E334-E342 HydrophobicContact CG-CB 4.39Å; E334-E342 HydrophobicContact CG-CG 4.13Å; E334-A343 HydrophobicContact CB-CB 4.02Å; E334-L346 HydrophobicContact CG-CD1 3.9Å
335	E	96.5	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-48.3	173.5	-173.8	-171.4	-174	0	0	111.6	G331 R332 I333 K337 G338 L340 A343 Y374 V478	G331-E335 WeakPolarHBondContact O-CB 3.33Å; G331-E335 PolarHBondContact O-N 3.28Å; R332-E335 WeakPolarHBondContact CD-OE2 3.47Å; R332-E335 IonicContact CZ-OE2 3.61Å; R332-E335 IonicContact NH1-OE1 3.93Å; R332-E335 IonicContact NH1-OE2 3.04Å; R332-E335 PolarHBondContact NH1-OE2 3.22Å; R332-E335 PolarHBondContact O-N 3.13Å; I333-E335 VanDerWaalsContact C-N 3.3Å; I333-E335 PolarHBondContact O-N 2.92Å; E335-K337 PolarHBondContact O-N 2.85Å; E335-G338 PolarHBondContact O-N 3.25Å; E335-L340 HydrophobicContact CG-CD2 4.42Å; E335-A343 HydrophobicContact CB-CB 3.97Å; E335-Y374 HydrophobicContact CG-CE2 4.18Å; E335-Y374 WeakPolarHBondContact OE1-CE2 3.26Å; E335-V478 WeakPolarHBondContact O-CG1 3.41Å
336	I	94.3	Very high	97.5	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-32.4	178.1	-65.9	165.1	0	0	0	111.5	T293 F297 V306 R332 I333 G338	T293-I336 HydrophobicContact CG2-CD1 4.29Å; T293-I336 VanDerWaalsContact O-CD1 3.3Å; T293-I336 WeakPolarHBondContact O-CD1 3.45Å; F297-I336 HydrophobicContact CD2-CD1 4.47Å; F297-I336 HydrophobicContact CD2-CG1 4.15Å; F297-I336 HydrophobicContact CD2-CG2 4.05Å; F297-I336 HydrophobicContact CE2-CG1 4.29Å; F297-I336 HydrophobicContact CE2-CG2 4.19Å; V306-I336 HydrophobicContact CG2-CB 4.48Å; V306-I336 HydrophobicContact CG2-CG2 3.65Å; R332-I336 HydrophobicContact CG-CD1 4.26Å; R332-I336 VanDerWaalsContact O-CG1 3.29Å; R332-I336 WeakPolarHBondContact O-CG1 3.47Å; R332-I336 PolarHBondContact O-N 3.3Å; R332-I336 VanDerWaalsContact O-N 3.09Å; I333-I336 PolarHBondContact O-N 3.48Å; I336-G338 PolarHBondContact O-N 2.88Å
337	K	93.8	Very high	97.5	Very high	66 Å²	66	26.2 Å²	26.2	29%	0.287	13%	0.129	S	C	.	.	H	α-helix	trans	-70.9	-14.8	174.4	-70.4	164.4	67.4	-178	0	113.2	V306 E310 I333 E334 E335 N339	V306-K337 HydrophobicContact CG1-CD 3.71Å; V306-K337 HydrophobicContact CG1-CG 3.62Å; E310-K337 WeakPolarHBondContact OE1-CD 3.37Å; E310-K337 WeakPolarHBondContact OE1-CE 3.48Å; E310-K337 IonicContact OE1-NZ 3.87Å; E310-K337 PolarHBondContact OE1-NZ 3.06Å; I333-K337 HydrophobicContact CG2-CD 3.92Å; I333-K337 WeakPolarHBondContact O-CG 3.29Å; I333-K337 PolarHBondContact O-N 3.46Å; E334-K337 WeakPolarHBondContact O-CB 3.43Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 IonicContact OE1-NZ 3.99Å; E334-K337 PolarHBondContact OE1-NZ 3.44Å; E334-K337 IonicContact OE2-NZ 2.66Å; E335-K337 PolarHBondContact O-N 2.85Å; K337-N339 VanDerWaalsContact C-N 3.35Å
338	G	94.7	Very high	97.5	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	2.4	-173.6	0	0	0	0	0	114	E334 E335 I336 L340 H482	E334-G338 PolarHBondContact O-N 2.88Å; E335-G338 PolarHBondContact O-N 3.25Å; I336-G338 PolarHBondContact O-N 2.88Å; G338-L340 WeakPolarHBondContact O-CG 3.28Å; G338-L340 PolarHBondContact O-N 3.4Å; G338-H482 PolarHBondContact O-CD2 3.18Å; G338-H482 PolarHBondContact O-NE2 3.12Å; G338-H482 VanDerWaalsContact O-NE2 3.09Å
339	N	97.3	Very high	97.5	Very high	65 Å²	65	32.4 Å²	32.4	35%	0.348	16%	0.158	S	C	.	.			trans	-80.6	63.7	-179.6	-68.2	-23.4	0	0	0	111.1	E334 K337 D341 E342 A343	E334-N339 HydrophobicContact CB-CB 4.23Å; E334-N339 PolarHBondContact O-N 2.83Å; E334-N339 WeakPolarHBondContact OE2-CB 3.43Å; E334-N339 PolarHBondContact OE2-ND2 2.88Å; K337-N339 VanDerWaalsContact C-N 3.35Å; N339-D341 VanDerWaalsContact C-N 3.33Å; N339-D341 PolarHBondContact O-N 3.41Å; N339-E342 PolarHBondContact O-N 2.99Å; N339-A343 PolarHBondContact O-N 3.34Å
340	L	98.3	Very high	97.5	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-34.7	-166.3	-57.9	-175.6	0	0	0	114.4	E335 G338 A343 I344 Y374 K375 V478 L485	E335-L340 HydrophobicContact CG-CD2 4.42Å; G338-L340 WeakPolarHBondContact O-CG 3.28Å; G338-L340 PolarHBondContact O-N 3.4Å; L340-A343 PolarHBondContact O-N 3.29Å; L340-I344 WeakPolarHBondContact O-CB 3.14Å; L340-I344 WeakPolarHBondContact O-CD1 3.49Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 2.98Å; L340-Y374 VanDerWaalsContact CD1-CB 3.46Å; L340-Y374 HydrophobicContact CD1-CD2 4.24Å; L340-Y374 HydrophobicContact CD1-CG 4.36Å; L340-Y374 HydrophobicContact CD2-CD2 3.75Å; L340-K375 HydrophobicContact CB-CD 4.38Å; L340-K375 HydrophobicContact CB-CG 4.47Å; L340-K375 HydrophobicContact CD1-CD 4.48Å; L340-K375 HydrophobicContact CD1-CG 3.71Å; L340-V478 HydrophobicContact CD2-CG1 3.97Å; L340-L485 HydrophobicContact CD1-CD1 3.56Å; L340-L485 HydrophobicContact CD1-CD2 4.36Å; L340-L485 HydrophobicContact CG-CD1 4.24Å
341	D	98.4	Very high	97.4	Very high	108 Å²	108	31.9 Å²	31.9	58%	0.578	16%	0.155	S	C	*	.	H	α-helix	trans	-69.4	-37.9	-179.4	-70.2	-43.4	0	0	0	112.1	N339 K345 K375	N339-D341 VanDerWaalsContact C-N 3.33Å; N339-D341 PolarHBondContact O-N 3.41Å; D341-K345 PolarHBondContact O-N 3.44Å; D341-K345 VanDerWaalsContact O-N 3.17Å; D341-K375 IonicContact OD1-NZ 3.64Å; D341-K375 PolarHBondContact OD1-NZ 3.22Å; D341-K375 IonicContact OD2-NZ 3.56Å; D341-K375 PolarHBondContact OD2-NZ 3.15Å
342	E	98.6	Very high	97.3	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	19%	0.189	S	C	.	.	H	α-helix	trans	-72.6	-38.2	174.3	-168.5	61.1	-151.9	0	0	111	E334 N339 I344 K345 L346	E334-E342 HydrophobicContact CG-CB 4.39Å; E334-E342 HydrophobicContact CG-CG 4.13Å; N339-E342 PolarHBondContact O-N 2.99Å; E342-I344 PolarHBondContact O-N 3.47Å; E342-K345 PolarHBondContact O-N 3.37Å; E342-K345 IonicContact OE1-NZ 3.9Å; E342-K345 PolarHBondContact OE1-NZ 2.87Å; E342-K345 IonicContact OE2-NZ 2.79Å; E342-K345 PolarHBondContact OE2-NZ 3.43Å; E342-L346 HydrophobicContact CG-CD1 4.03Å; E342-L346 HydrophobicContact CG-CG 4.47Å; E342-L346 WeakPolarHBondContact O-CG 3.43Å; E342-L346 PolarHBondContact O-N 3.48Å
343	A	98.7	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-49.2	174	0	0	0	0	0	111.7	G331 E334 E335 N339 L340 K345 L346 F347	G331-A343 WeakPolarHBondContact O-CB 3.47Å; E334-A343 HydrophobicContact CB-CB 4.02Å; E335-A343 HydrophobicContact CB-CB 3.97Å; N339-A343 PolarHBondContact O-N 3.34Å; L340-A343 PolarHBondContact O-N 3.29Å; A343-K345 VanDerWaalsContact C-N 3.34Å; A343-K345 PolarHBondContact O-N 3.07Å; A343-L346 PolarHBondContact O-N 2.89Å; A343-F347 HydrophobicContact CB-CD2 4.48Å; A343-F347 HydrophobicContact CB-CE2 4.08Å; A343-F347 WeakPolarHBondContact O-CD2 3.3Å; A343-F347 WeakPolarHBondContact O-CG 3.39Å; A343-F347 PolarHBondContact O-N 3.32Å
344	I	98.8	Very high	97.2	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-55.7	-50	176.6	-72.3	162.9	0	0	0	110.5	L340 E342 L346 F347 E348 L368 C371 F372 K375	L340-I344 WeakPolarHBondContact O-CB 3.14Å; L340-I344 WeakPolarHBondContact O-CD1 3.49Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 2.98Å; E342-I344 PolarHBondContact O-N 3.47Å; I344-L346 PolarHBondContact O-N 3.4Å; I344-F347 PolarHBondContact O-N 3.47Å; I344-E348 HydrophobicContact CG2-CG 4.44Å; I344-E348 WeakPolarHBondContact O-CG 3.36Å; I344-E348 PolarHBondContact O-N 3.02Å; I344-L368 HydrophobicContact CB-CD2 4.07Å; I344-L368 HydrophobicContact CG1-CD2 4.03Å; I344-L368 HydrophobicContact CG2-CD2 3.84Å; I344-C371 HydrophobicContact CD1-CB 3.98Å; I344-C371 HydrophobicContact CG1-CB 3.6Å; I344-F372 HydrophobicContact CD1-CD1 4.39Å; I344-F372 HydrophobicContact CD1-CE1 3.97Å; I344-F372 HydrophobicContact CD1-CE2 4.37Å; I344-F372 HydrophobicContact CD1-CZ 3.95Å; I344-F372 HydrophobicContact CG1-CE2 4.45Å; I344-F372 HydrophobicContact CG1-CZ 4.38Å; I344-F372 HydrophobicContact CG2-CE2 4.45Å; I344-F372 HydrophobicContact CG2-CZ 4.1Å; I344-K375 HydrophobicContact CD1-CD 4.06Å
345	K	98.7	Very high	96.9	Very high	91 Å²	91	45 Å²	45	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-45.9	179.5	177.8	179.3	154.4	-123.1	0	112	D341 E342 A343 F347 E348 E349	D341-K345 PolarHBondContact O-N 3.44Å; D341-K345 VanDerWaalsContact O-N 3.17Å; E342-K345 PolarHBondContact O-N 3.37Å; E342-K345 IonicContact OE1-NZ 3.9Å; E342-K345 PolarHBondContact OE1-NZ 2.87Å; E342-K345 IonicContact OE2-NZ 2.79Å; E342-K345 PolarHBondContact OE2-NZ 3.43Å; A343-K345 VanDerWaalsContact C-N 3.34Å; A343-K345 PolarHBondContact O-N 3.07Å; K345-F347 PolarHBondContact O-N 3.37Å; K345-E348 PolarHBondContact O-N 3.47Å; K345-E349 WeakPolarHBondContact CE-OE1 3.33Å; K345-E349 IonicContact NZ-OE1 2.65Å; K345-E349 WeakPolarHBondContact O-CB 3.28Å; K345-E349 WeakPolarHBondContact O-CG 3.4Å; K345-E349 PolarHBondContact O-N 3.07Å
346	L	98.7	Very high	96.7	Very high	21 Å²	21	49 Å²	49	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-37.7	178.7	-73	165.7	0	0	0	112.8	L327 A330 E334 E342 A343 I344 C350	L327-L346 HydrophobicContact CD2-CD2 4.28Å; A330-L346 HydrophobicContact CB-CD1 3.98Å; A330-L346 HydrophobicContact CB-CD2 4.3Å; E334-L346 HydrophobicContact CG-CD1 3.9Å; E342-L346 HydrophobicContact CG-CD1 4.03Å; E342-L346 HydrophobicContact CG-CG 4.47Å; E342-L346 WeakPolarHBondContact O-CG 3.43Å; E342-L346 PolarHBondContact O-N 3.48Å; A343-L346 PolarHBondContact O-N 2.89Å; I344-L346 PolarHBondContact O-N 3.4Å; L346-C350 WeakPolarHBondContact O-CB 3.37Å; L346-C350 PolarHBondContact O-N 3.35Å
347	F	98.7	Very high	96.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-37.9	174.8	-67.3	-47.5	0	0	0	112.4	F328 R332 A343 I344 K345 C350 C351 C364 E367 L368	F328-F347 HydrophobicContact CD2-CD1 4.15Å; F328-F347 AromaticContact CD2-CE1 3.88Å; F328-F347 HydrophobicContact CD2-CE1 3.88Å; F328-F347 HydrophobicContact CE2-CE1 4.08Å; F328-F347 WeakPolarHBondContact O-CE1 3.06Å; R332-F347 HydrophobicContact CB-CZ 4.37Å; R332-F347 VanDerWaalsContact N-CZ 3.32Å; A343-F347 HydrophobicContact CB-CD2 4.48Å; A343-F347 HydrophobicContact CB-CE2 4.08Å; A343-F347 WeakPolarHBondContact O-CD2 3.3Å; A343-F347 WeakPolarHBondContact O-CG 3.39Å; A343-F347 PolarHBondContact O-N 3.32Å; I344-F347 PolarHBondContact O-N 3.47Å; K345-F347 PolarHBondContact O-N 3.37Å; F347-C350 WeakPolarHBondContact O-CB 3.46Å; F347-C350 PolarHBondContact O-N 3.32Å; F347-C351 PolarHBondContact O-N 2.91Å; F347-C351 VanDerWaalsContact O-N 3.1Å; F347-C351 PolarHBondContact O-SG 3.2Å; F347-C364 HydrophobicContact CB-CB 4.07Å; F347-C364 HydrophobicContact CD1-CB 4.38Å; F347-E367 HydrophobicContact CD1-CB 4.38Å; F347-E367 HydrophobicContact CD2-CB 3.95Å; F347-E367 HydrophobicContact CE1-CB 3.82Å; F347-E367 HydrophobicContact CE1-CG 3.92Å; F347-E367 HydrophobicContact CE2-CB 3.35Å; F347-E367 HydrophobicContact CE2-CG 4.25Å; F347-E367 HydrophobicContact CG-CB 4.44Å; F347-E367 HydrophobicContact CZ-CB 3.26Å; F347-E367 HydrophobicContact CZ-CG 3.64Å; F347-L368 HydrophobicContact CB-CD1 3.96Å; F347-L368 HydrophobicContact CB-CD2 3.89Å; F347-L368 HydrophobicContact CB-CG 3.73Å; F347-L368 HydrophobicContact CD2-CD2 4.31Å; F347-L368 HydrophobicContact CD2-CG 4.25Å; F347-L368 HydrophobicContact CG-CG 4.34Å
348	E	98.1	Very high	96.6	Very high	79 Å²	79	51.3 Å²	51.3	37%	0.369	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-46.4	173.1	-71.5	178	162.4	0	0	111	I344 K345 C350 C351 E352 L368	I344-E348 HydrophobicContact CG2-CG 4.44Å; I344-E348 WeakPolarHBondContact O-CG 3.36Å; I344-E348 PolarHBondContact O-N 3.02Å; K345-E348 PolarHBondContact O-N 3.47Å; E348-C350 VanDerWaalsContact C-N 3.3Å; E348-C350 PolarHBondContact O-N 3.08Å; E348-C351 WeakPolarHBondContact O-CA 3.46Å; E348-C351 WeakPolarHBondContact O-CB 3.41Å; E348-C351 PolarHBondContact O-N 2.9Å; E348-E352 WeakPolarHBondContact O-CG 3.35Å; E348-E352 PolarHBondContact O-N 2.91Å; E348-L368 HydrophobicContact CG-CD2 4.39Å
349	E	98	Very high	96.5	Very high	74 Å²	74	53.1 Å²	53.1	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-39.9	173.9	-75.3	-179.8	-165.4	0	0	112.2	K345 C351 E352 A353	K345-E349 WeakPolarHBondContact CE-OE1 3.33Å; K345-E349 IonicContact NZ-OE1 2.65Å; K345-E349 WeakPolarHBondContact O-CB 3.28Å; K345-E349 WeakPolarHBondContact O-CG 3.4Å; K345-E349 PolarHBondContact O-N 3.07Å; E349-C351 VanDerWaalsContact C-N 3.3Å; E349-C351 PolarHBondContact O-N 3.33Å; E349-E352 PolarHBondContact O-N 2.88Å; E349-A353 WeakPolarHBondContact O-CB 3.41Å; E349-A353 PolarHBondContact O-N 3.44Å
350	C	97.9	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-41.1	173.7	-177.7	0	0	0	0	111.7	S324 L327 L346 F347 E348 E352 A353 C364	S324-C350 PolarHBondContact O-SG 3.08Å; L327-C350 HydrophobicContact CB-CB 3.74Å; L327-C350 HydrophobicContact CD1-CB 4.45Å; L346-C350 WeakPolarHBondContact O-CB 3.37Å; L346-C350 PolarHBondContact O-N 3.35Å; F347-C350 WeakPolarHBondContact O-CB 3.46Å; F347-C350 PolarHBondContact O-N 3.32Å; E348-C350 VanDerWaalsContact C-N 3.3Å; E348-C350 PolarHBondContact O-N 3.08Å; C350-E352 VanDerWaalsContact C-N 3.34Å; C350-A353 PolarHBondContact O-N 3.17Å; C350-C364 PolarHBondContact SG-SG 2.96Å
351	C	96.8	Very high	96.2	Very high	14 Å²	14	50.2 Å²	50.2	10%	0.095	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-37.4	176.3	-63.9	0	0	0	0	112.1	F347 E348 E349 A353 Q354 Q355 H361 C364	F347-C351 PolarHBondContact O-N 2.91Å; F347-C351 VanDerWaalsContact O-N 3.1Å; F347-C351 PolarHBondContact O-SG 3.2Å; E348-C351 WeakPolarHBondContact O-CA 3.46Å; E348-C351 WeakPolarHBondContact O-CB 3.41Å; E348-C351 PolarHBondContact O-N 2.9Å; E349-C351 VanDerWaalsContact C-N 3.3Å; E349-C351 PolarHBondContact O-N 3.33Å; C351-A353 VanDerWaalsContact C-N 3.34Å; C351-Q354 VanDerWaalsContact O-O 3.06Å; C351-Q355 PolarHBondContact O-NE2 3.45Å; C351-H361 PolarHBondContact O-NE2 3.33Å; C351-C364 WeakPolarHBondContact SG-CB 3.31Å
352	E	96.7	Very high	96.1	Very high	152 Å²	152	45.7 Å²	45.7	71%	0.71	22%	0.218	S	C	*	.	H	α-helix	trans	-72.6	-26.7	178.4	-68.6	179.7	176.2	0	0	113.1	E348 E349 C350 Q354	E348-E352 WeakPolarHBondContact O-CG 3.35Å; E348-E352 PolarHBondContact O-N 2.91Å; E349-E352 PolarHBondContact O-N 2.88Å; C350-E352 VanDerWaalsContact C-N 3.34Å; E352-Q354 VanDerWaalsContact C-N 3.27Å; E352-Q354 PolarHBondContact O-N 3.43Å
353	A	96.4	Very high	95.9	Very high	32 Å²	32	45.2 Å²	45.2	26%	0.264	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25	-173.7	0	0	0	0	0	114.9	K322 L327 E349 C350 C351	K322-A353 WeakPolarHBondContact O-CB 3.45Å; L327-A353 HydrophobicContact CD1-CB 4.03Å; E349-A353 WeakPolarHBondContact O-CB 3.41Å; E349-A353 PolarHBondContact O-N 3.44Å; C350-A353 PolarHBondContact O-N 3.17Å; C351-A353 VanDerWaalsContact C-N 3.34Å
354	Q	93.8	Very high	95.9	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.061	22%	0.216	C	C	.	.			trans	-158.7	156.7	178.4	64	77.6	33	0	0	111.5	N94 F96 S324 C351 E352 W357 H361	N94-Q354 HydrophobicContact CB-CB 3.9Å; N94-Q354 HydrophobicContact CB-CG 4.32Å; F96-Q354 HydrophobicContact CE2-CB 4.31Å; F96-Q354 HydrophobicContact CE2-CG 3.98Å; F96-Q354 HydrophobicContact CZ-CG 4.43Å; S324-Q354 WeakPolarHBondContact OG-CG 3.44Å; C351-Q354 VanDerWaalsContact O-O 3.06Å; E352-Q354 VanDerWaalsContact C-N 3.27Å; E352-Q354 PolarHBondContact O-N 3.43Å; Q354-W357 PolarHBondContact NE2-O 3.28Å; Q354-H361 PolarHBondContact NE2-NE2 3.27Å; Q354-H361 PolarHBondContact O-CE1 2.7Å; Q354-H361 PolarHBondContact O-NE2 3.38Å
355	Q	92.6	Very high	95.9	Very high	125 Å²	125	46.4 Å²	46.4	58%	0.584	22%	0.22	S	C	*	.	S	Bend	trans	-124.6	-4.3	179.4	-61.9	-62.1	-46.5	0	0	114.1	C351 H361	C351-Q355 PolarHBondContact O-NE2 3.45Å; Q355-H361 PolarHBondContact OE1-CE1 3.27Å
356	Q	91.3	Very high	95.8	Very high	82 Å²	82	43.9 Å²	43.9	38%	0.383	21%	0.208	S	C	.	.	S	Bend	trans	-74.5	-44.4	-175.6	-71.9	171.5	-15.2	0	0	111.7	F96 E97	F96-Q356 HydrophobicContact CD2-CB 4.16Å; E97-Q356 VanDerWaalsContact OE1-CD 3.32Å; E97-Q356 PolarHBondContact OE1-NE2 3.02Å; E97-Q356 PolarHBondContact OE2-NE2 3.02Å
357	W	92.3	Very high	95.8	Very high	14 Å²	14	43.2 Å²	43.2	5%	0.053	20%	0.204	C	C	.	.			trans	-108.2	82.8	-177.5	-77.6	51.8	0	0	0	110	F91 F96 I120 M123 K124 M127 Q354 Q359 F360	F91-W357 HydrophobicContact CE2-CH2 4.09Å; F91-W357 HydrophobicContact CE2-CZ2 4.16Å; F91-W357 HydrophobicContact CZ-CH2 4.32Å; F91-W357 HydrophobicContact CZ-CZ3 4.48Å; F96-W357 HydrophobicContact CD2-CB 4.38Å; F96-W357 AromaticContact CD2-CD1 3.37Å; F96-W357 AromaticContact CD2-CG 3.9Å; F96-W357 HydrophobicContact CD2-CG 3.9Å; F96-W357 AromaticContact CD2-NE1 3.78Å; F96-W357 HydrophobicContact CE2-CB 4.04Å; F96-W357 AromaticContact CE2-CD1 3.9Å; F96-W357 AromaticContact CE2-CG 3.98Å; F96-W357 HydrophobicContact CE2-CG 3.98Å; F96-W357 AromaticContact CG-CD1 3.8Å; F96-W357 HydrophobicContact CG-CG 4.39Å; F96-W357 AromaticContact CG-NE1 3.7Å; I120-W357 HydrophobicContact CG2-CH2 4.18Å; I120-W357 HydrophobicContact CG2-CZ2 4.17Å; M123-W357 HydrophobicContact CE-CZ3 4.33Å; M123-W357 HydrophobicContact CG-CZ3 4.14Å; M123-W357 HydrophobicContact SD-CZ3 4.4Å; K124-W357 HydrophobicContact CB-CH2 3.68Å; K124-W357 HydrophobicContact CB-CZ2 4.15Å; K124-W357 HydrophobicContact CB-CZ3 4.13Å; K124-W357 HydrophobicContact CG-CH2 4.42Å; M127-W357 HydrophobicContact SD-CE3 3.88Å; M127-W357 HydrophobicContact SD-CZ3 3.8Å; Q354-W357 PolarHBondContact NE2-O 3.28Å; W357-Q359 PolarHBondContact O-N 2.98Å; W357-F360 HydrophobicContact CB-CD2 3.65Å; W357-F360 HydrophobicContact CB-CE2 4.05Å; W357-F360 HydrophobicContact CD2-CE2 4.31Å; W357-F360 HydrophobicContact CE3-CD2 4.43Å; W357-F360 AromaticContact CE3-CE2 3.85Å; W357-F360 HydrophobicContact CE3-CE2 3.85Å; W357-F360 HydrophobicContact CG-CE2 4.44Å; W357-F360 PolarHBondContact O-N 3.47Å; W357-F360 VanDerWaalsContact O-N 3.1Å
358	K	93.1	Very high	95.8	Very high	110 Å²	110	43.3 Å²	43.3	48%	0.478	21%	0.205	S	C	.	.	H	α-helix	trans	-56.4	-20	177.5	-65.4	-173	177.3	-173.3	0	113.7	F360 H361 H362	K358-F360 VanDerWaalsContact C-N 3.26Å; K358-F360 PolarHBondContact O-N 3.34Å; K358-H361 CarbonylContact O-C 3.54Å; K358-H361 WeakPolarHBondContact O-CA 3.4Å; K358-H361 WeakPolarHBondContact O-CB 3.29Å; K358-H361 PolarHBondContact O-N 3.18Å; K358-H362 PolarHBondContact O-CD2 3.27Å; K358-H362 PolarHBondContact O-N 3.27Å
359	Q	92.6	Very high	95.8	Very high	40 Å²	40	39.5 Å²	39.5	19%	0.187	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-27.9	179.8	-62	72.1	21.2	0	0	112.2	M127 T128 W357 H361 H362 M363	M127-Q359 HydrophobicContact CB-CB 3.69Å; M127-Q359 HydrophobicContact CB-CG 3.84Å; M127-Q359 HydrophobicContact CE-CB 3.66Å; M127-Q359 HydrophobicContact CG-CB 4.44Å; M127-Q359 HydrophobicContact SD-CB 4.36Å; T128-Q359 HydrophobicContact CG2-CG 3.98Å; T128-Q359 VanDerWaalsContact CG2-NE2 3.26Å; W357-Q359 PolarHBondContact O-N 2.98Å; Q359-H361 VanDerWaalsContact C-N 3.3Å; Q359-H362 PolarHBondContact O-N 3.27Å; Q359-M363 WeakPolarHBondContact O-CG 3.46Å; Q359-M363 PolarHBondContact O-N 3.07Å; Q359-M363 VanDerWaalsContact O-N 3.08Å
360	F	94.1	Very high	95.8	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-37.7	167.4	-74.5	-71.2	0	0	0	111.5	F96 M123 M127 I325 W357 K358 H362 M363 C364	F96-F360 HydrophobicContact CE1-CE2 4.14Å; F96-F360 HydrophobicContact CE2-CE2 4.47Å; F96-F360 HydrophobicContact CZ-CD2 4.2Å; F96-F360 AromaticContact CZ-CE2 3.7Å; F96-F360 HydrophobicContact CZ-CE2 3.7Å; M123-F360 HydrophobicContact CE-CE1 4.05Å; M123-F360 HydrophobicContact CE-CE2 4.36Å; M123-F360 HydrophobicContact CE-CZ 3.48Å; M123-F360 VanDerWaalsContact CE-CZ 3.48Å; M127-F360 HydrophobicContact CE-CD1 3.98Å; M127-F360 HydrophobicContact CE-CD2 4.24Å; M127-F360 HydrophobicContact CE-CE1 3.99Å; M127-F360 HydrophobicContact CE-CE2 4.28Å; M127-F360 HydrophobicContact CE-CG 4.09Å; M127-F360 HydrophobicContact CE-CZ 4.16Å; I325-F360 HydrophobicContact CD1-CE1 4.45Å; I325-F360 HydrophobicContact CD1-CZ 4.26Å; I325-F360 HydrophobicContact CG1-CE1 3.54Å; I325-F360 HydrophobicContact CG1-CZ 3.77Å; W357-F360 HydrophobicContact CB-CD2 3.65Å; W357-F360 HydrophobicContact CB-CE2 4.05Å; W357-F360 HydrophobicContact CD2-CE2 4.31Å; W357-F360 HydrophobicContact CE3-CD2 4.43Å; W357-F360 AromaticContact CE3-CE2 3.85Å; W357-F360 HydrophobicContact CE3-CE2 3.85Å; W357-F360 HydrophobicContact CG-CE2 4.44Å; W357-F360 PolarHBondContact O-N 3.47Å; W357-F360 VanDerWaalsContact O-N 3.1Å; K358-F360 VanDerWaalsContact C-N 3.26Å; K358-F360 PolarHBondContact O-N 3.34Å; F360-H362 VanDerWaalsContact C-N 3.34Å; F360-M363 HydrophobicContact CD1-CE 3.27Å; F360-M363 HydrophobicContact CE1-CE 3.72Å; F360-M363 HydrophobicContact CG-CE 4.17Å; F360-M363 PolarHBondContact O-N 3.49Å; F360-C364 PolarHBondContact O-N 2.91Å; F360-C364 VanDerWaalsContact O-N 3.1Å; F360-C364 PolarHBondContact O-SG 3.22Å
361	H	96	Very high	95.9	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-41.8	173.6	-49.5	168	0	0	0	110.7	C351 Q354 Q355 K358 Q359 M363 C364 Y365	C351-H361 PolarHBondContact O-NE2 3.33Å; Q354-H361 PolarHBondContact NE2-NE2 3.27Å; Q354-H361 PolarHBondContact O-CE1 2.7Å; Q354-H361 PolarHBondContact O-NE2 3.38Å; Q355-H361 PolarHBondContact OE1-CE1 3.27Å; K358-H361 CarbonylContact O-C 3.54Å; K358-H361 WeakPolarHBondContact O-CA 3.4Å; K358-H361 WeakPolarHBondContact O-CB 3.29Å; K358-H361 PolarHBondContact O-N 3.18Å; Q359-H361 VanDerWaalsContact C-N 3.3Å; H361-M363 VanDerWaalsContact C-N 3.31Å; H361-M363 PolarHBondContact O-N 2.9Å; H361-C364 CarbonylContact O-C 3.57Å; H361-C364 WeakPolarHBondContact O-CA 3.41Å; H361-C364 WeakPolarHBondContact O-CB 3.34Å; H361-C364 PolarHBondContact O-N 2.86Å; H361-Y365 HydrophobicContact CB-CE1 4.05Å; H361-Y365 HydrophobicContact CB-CE2 4.03Å; H361-Y365 VanDerWaalsContact O-CD1 3.24Å; H361-Y365 WeakPolarHBondContact O-CD1 3.49Å; H361-Y365 PolarHBondContact O-N 3.48Å
362	H	95.9	Very high	96	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.06	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-38	177.5	-60.9	164.8	0	0	0	112.6	K358 Q359 F360 Y365 W366 L388 E391	K358-H362 PolarHBondContact O-CD2 3.27Å; K358-H362 PolarHBondContact O-N 3.27Å; Q359-H362 PolarHBondContact O-N 3.27Å; F360-H362 VanDerWaalsContact C-N 3.34Å; H362-Y365 AromaticContact CD2-CD2 3.88Å; H362-Y365 AromaticContact CD2-CE2 3.95Å; H362-Y365 PolarHBondContact O-N 3.28Å; H362-W366 PolarHBondContact O-N 2.9Å; H362-W366 VanDerWaalsContact O-N 3.11Å; H362-L388 HydrophobicContact CB-CD2 4.12Å; H362-L388 WeakPolarHBondContact O-CD2 2.97Å; H362-E391 IonicContact CD2-OE2 3.75Å; H362-E391 IonicContact CE1-OE2 3.28Å; H362-E391 VanDerWaalsContact NE2-CB 3.31Å; H362-E391 WeakPolarHBondContact NE2-CB 3.29Å; H362-E391 IonicContact NE2-OE2 3.49Å; H362-E391 PolarHBondContact NE2-OE2 3.01Å
363	M	95.4	Very high	96.1	Very high	65 Å²	65	29.2 Å²	29.2	32%	0.32	14%	0.137	S	C	.	.	H	α-helix	trans	-62.6	-43.5	171.4	-65.8	-169.7	-60.1	0	0	111.1	M127 F328 Q359 F360 H361 W366 E367	M127-M363 HydrophobicContact CE-CE 3.53Å; M127-M363 HydrophobicContact CE-SD 4.16Å; F328-M363 HydrophobicContact CD2-CB 4.07Å; F328-M363 HydrophobicContact CE2-CB 3.63Å; F328-M363 HydrophobicContact CZ-CB 4.07Å; Q359-M363 WeakPolarHBondContact O-CG 3.46Å; Q359-M363 PolarHBondContact O-N 3.07Å; Q359-M363 VanDerWaalsContact O-N 3.08Å; F360-M363 HydrophobicContact CD1-CE 3.27Å; F360-M363 HydrophobicContact CE1-CE 3.72Å; F360-M363 HydrophobicContact CG-CE 4.17Å; F360-M363 PolarHBondContact O-N 3.49Å; H361-M363 VanDerWaalsContact C-N 3.31Å; H361-M363 PolarHBondContact O-N 2.9Å; M363-W366 WeakPolarHBondContact O-CB 2.86Å; M363-W366 PolarHBondContact O-N 3.26Å; M363-E367 PolarHBondContact O-N 3.08Å
364	C	98.1	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-40.7	175.8	-61.9	0	0	0	0	112.4	F347 C350 C351 F360 H361 W366 E367 L368	F347-C364 HydrophobicContact CB-CB 4.07Å; F347-C364 HydrophobicContact CD1-CB 4.38Å; C350-C364 PolarHBondContact SG-SG 2.96Å; C351-C364 WeakPolarHBondContact SG-CB 3.31Å; F360-C364 PolarHBondContact O-N 2.91Å; F360-C364 VanDerWaalsContact O-N 3.1Å; F360-C364 PolarHBondContact O-SG 3.22Å; H361-C364 CarbonylContact O-C 3.57Å; H361-C364 WeakPolarHBondContact O-CA 3.41Å; H361-C364 WeakPolarHBondContact O-CB 3.34Å; H361-C364 PolarHBondContact O-N 2.86Å; C364-W366 PolarHBondContact O-N 3.47Å; C364-E367 PolarHBondContact O-N 3.46Å; C364-L368 HydrophobicContact CB-CD1 4.43Å; C364-L368 VanDerWaalsContact O-CB 3.3Å; C364-L368 WeakPolarHBondContact O-CB 3.49Å; C364-L368 WeakPolarHBondContact O-CD1 3.4Å; C364-L368 VanDerWaalsContact O-CG 3.23Å; C364-L368 WeakPolarHBondContact O-CG 3.5Å; C364-L368 PolarHBondContact O-N 3.27Å
365	Y	98.3	Very high	96.4	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.153	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-34.7	177.5	-62.7	-14.7	0	0	0	111.7	H361 H362 L368 M369 Y384 L387	H361-Y365 HydrophobicContact CB-CE1 4.05Å; H361-Y365 HydrophobicContact CB-CE2 4.03Å; H361-Y365 VanDerWaalsContact O-CD1 3.24Å; H361-Y365 WeakPolarHBondContact O-CD1 3.49Å; H361-Y365 PolarHBondContact O-N 3.48Å; H362-Y365 AromaticContact CD2-CD2 3.88Å; H362-Y365 AromaticContact CD2-CE2 3.95Å; H362-Y365 PolarHBondContact O-N 3.28Å; Y365-L368 HydrophobicContact CD1-CD1 4.3Å; Y365-M369 VanDerWaalsContact O-CB 3.29Å; Y365-M369 WeakPolarHBondContact O-CB 3.24Å; Y365-M369 PolarHBondContact O-N 2.76Å; Y365-Y384 AromaticContact CD1-CD1 3.62Å; Y365-Y384 HydrophobicContact CD1-CD1 3.62Å; Y365-Y384 AromaticContact CD1-CE1 3.58Å; Y365-Y384 HydrophobicContact CD1-CE1 3.58Å; Y365-Y384 HydrophobicContact CE1-CD1 4.4Å; Y365-Y384 HydrophobicContact CE1-CE1 4.06Å; Y365-Y384 AromaticContact CG-CD1 3.82Å; Y365-Y384 HydrophobicContact CG-CD1 3.82Å; Y365-Y384 HydrophobicContact CG-CE1 4.27Å; Y365-L387 HydrophobicContact CD2-CB 4.16Å; Y365-L387 HydrophobicContact CD2-CD1 4.23Å; Y365-L387 HydrophobicContact CE2-CB 4.39Å; Y365-L387 HydrophobicContact CE2-CD1 4.02Å
366	W	97.4	Very high	96.6	Very high	38 Å²	38	27.7 Å²	27.7	14%	0.144	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-47.5	174.2	175	-95.5	0	0	0	111.9	H362 M363 C364 M369 W370 L388 T398 Y399 W473	H362-W366 PolarHBondContact O-N 2.9Å; H362-W366 VanDerWaalsContact O-N 3.11Å; M363-W366 WeakPolarHBondContact O-CB 2.86Å; M363-W366 PolarHBondContact O-N 3.26Å; C364-W366 PolarHBondContact O-N 3.47Å; W366-M369 HydrophobicContact CD2-CE 4.28Å; W366-M369 HydrophobicContact CE3-CE 3.83Å; W366-M369 HydrophobicContact CH2-CE 4.24Å; W366-M369 HydrophobicContact CZ3-CE 3.81Å; W366-M369 WeakPolarHBondContact O-CB 3.39Å; W366-M369 PolarHBondContact O-N 3.23Å; W366-W370 AromaticContact CD2-NE1 3.95Å; W366-W370 AromaticContact CE2-CD1 3.88Å; W366-W370 AromaticContact CE2-NE1 3.25Å; W366-W370 VanDerWaalsContact CE2-NE1 3.25Å; W366-W370 HydrophobicContact CH2-CZ2 4.36Å; W366-W370 AromaticContact CH2-NE1 3.94Å; W366-W370 HydrophobicContact CZ2-CZ2 4.26Å; W366-W370 AromaticContact CZ2-NE1 3.25Å; W366-W370 VanDerWaalsContact CZ2-NE1 3.25Å; W366-W370 AromaticContact NE1-CD1 3.66Å; W366-W370 AromaticContact NE1-NE1 3.45Å; W366-W370 VanDerWaalsContact O-CD1 3.23Å; W366-W370 PolarHBondContact O-N 3Å; W366-L388 HydrophobicContact CB-CD1 4.25Å; W366-L388 HydrophobicContact CE3-CD1 4.14Å; W366-T398 HydrophobicContact CH2-CG2 4.22Å; W366-T398 HydrophobicContact CZ3-CG2 4.34Å; W366-Y399 HydrophobicContact CE3-CD1 4.26Å; W366-Y399 AromaticContact CE3-CE1 3.66Å; W366-Y399 HydrophobicContact CE3-CE1 3.66Å; W366-Y399 HydrophobicContact CZ3-CD1 4.02Å; W366-Y399 AromaticContact CZ3-CE1 3.65Å; W366-Y399 HydrophobicContact CZ3-CE1 3.65Å; W366-W473 AromaticContact CH2-CE2 3.96Å; W366-W473 HydrophobicContact CH2-CH2 4.42Å; W366-W473 AromaticContact CH2-CZ2 3.77Å; W366-W473 HydrophobicContact CH2-CZ2 3.77Å; W366-W473 HydrophobicContact CZ2-CD2 4.05Å; W366-W473 AromaticContact CZ2-CE2 3.63Å; W366-W473 HydrophobicContact CZ2-CE3 4.32Å; W366-W473 AromaticContact CZ2-CH2 3.85Å; W366-W473 HydrophobicContact CZ2-CH2 3.85Å; W366-W473 AromaticContact CZ2-CZ2 3.53Å; W366-W473 HydrophobicContact CZ2-CZ2 3.53Å; W366-W473 HydrophobicContact CZ2-CZ3 4.23Å
367	E	98.1	Very high	96.9	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-73.1	-35.8	179	-52.9	-56.9	169.5	0	0	112.1	F294 F328 R332 F347 M363 C364 M369 W370 C371	F294-E367 WeakPolarHBondContact CE1-OE1 3.38Å; F328-E367 HydrophobicContact CE2-CG 3.76Å; F328-E367 HydrophobicContact CZ-CG 4.13Å; R332-E367 IonicContact NH1-OE2 3.43Å; F347-E367 HydrophobicContact CD1-CB 4.38Å; F347-E367 HydrophobicContact CD2-CB 3.95Å; F347-E367 HydrophobicContact CE1-CB 3.82Å; F347-E367 HydrophobicContact CE1-CG 3.92Å; F347-E367 HydrophobicContact CE2-CB 3.35Å; F347-E367 HydrophobicContact CE2-CG 4.25Å; F347-E367 HydrophobicContact CG-CB 4.44Å; F347-E367 HydrophobicContact CZ-CB 3.26Å; F347-E367 HydrophobicContact CZ-CG 3.64Å; M363-E367 PolarHBondContact O-N 3.08Å; C364-E367 PolarHBondContact O-N 3.46Å; E367-M369 VanDerWaalsContact C-N 3.33Å; E367-M369 PolarHBondContact O-N 3.05Å; E367-W370 PolarHBondContact O-N 3.5Å; E367-W370 VanDerWaalsContact O-N 3.09Å; E367-C371 PolarHBondContact O-N 3.1Å; E367-C371 PolarHBondContact O-SG 2.94Å
368	L	98.8	Very high	97.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-42.3	173.1	-75.3	163.6	0	0	0	111.3	I344 F347 E348 C364 Y365 W370 C371 F372 Y384	I344-L368 HydrophobicContact CB-CD2 4.07Å; I344-L368 HydrophobicContact CG1-CD2 4.03Å; I344-L368 HydrophobicContact CG2-CD2 3.84Å; F347-L368 HydrophobicContact CB-CD1 3.96Å; F347-L368 HydrophobicContact CB-CD2 3.89Å; F347-L368 HydrophobicContact CB-CG 3.73Å; F347-L368 HydrophobicContact CD2-CD2 4.31Å; F347-L368 HydrophobicContact CD2-CG 4.25Å; F347-L368 HydrophobicContact CG-CG 4.34Å; E348-L368 HydrophobicContact CG-CD2 4.39Å; C364-L368 HydrophobicContact CB-CD1 4.43Å; C364-L368 VanDerWaalsContact O-CB 3.3Å; C364-L368 WeakPolarHBondContact O-CB 3.49Å; C364-L368 WeakPolarHBondContact O-CD1 3.4Å; C364-L368 VanDerWaalsContact O-CG 3.23Å; C364-L368 WeakPolarHBondContact O-CG 3.5Å; C364-L368 PolarHBondContact O-N 3.27Å; Y365-L368 HydrophobicContact CD1-CD1 4.3Å; L368-W370 VanDerWaalsContact C-N 3.26Å; L368-W370 PolarHBondContact O-N 3.05Å; L368-C371 PolarHBondContact O-N 3.18Å; L368-F372 HydrophobicContact CD2-CE2 4.21Å; L368-F372 WeakPolarHBondContact O-CD2 3.48Å; L368-F372 PolarHBondContact O-N 2.89Å; L368-Y384 HydrophobicContact CB-CD1 4.22Å; L368-Y384 HydrophobicContact CB-CD2 3.88Å; L368-Y384 HydrophobicContact CB-CE1 4.16Å; L368-Y384 HydrophobicContact CB-CE2 3.83Å; L368-Y384 HydrophobicContact CB-CG 4.08Å; L368-Y384 HydrophobicContact CD1-CD1 4.4Å; L368-Y384 HydrophobicContact CD1-CE1 3.71Å; L368-Y384 HydrophobicContact CD1-CE2 4.42Å
369	M	98.7	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-54.3	-44	173	179.8	-161.5	67.9	0	0	111.1	Y365 W366 E367 T373 A385 M402 Y406	Y365-M369 VanDerWaalsContact O-CB 3.29Å; Y365-M369 WeakPolarHBondContact O-CB 3.24Å; Y365-M369 PolarHBondContact O-N 2.76Å; W366-M369 HydrophobicContact CD2-CE 4.28Å; W366-M369 HydrophobicContact CE3-CE 3.83Å; W366-M369 HydrophobicContact CH2-CE 4.24Å; W366-M369 HydrophobicContact CZ3-CE 3.81Å; W366-M369 WeakPolarHBondContact O-CB 3.39Å; W366-M369 PolarHBondContact O-N 3.23Å; E367-M369 VanDerWaalsContact C-N 3.33Å; E367-M369 PolarHBondContact O-N 3.05Å; M369-T373 WeakPolarHBondContact O-CB 3.11Å; M369-T373 PolarHBondContact O-N 3.22Å; M369-T373 PolarHBondContact O-OG1 3.25Å; M369-A385 HydrophobicContact CG-CB 4.45Å; M369-A385 HydrophobicContact SD-CB 3.98Å; M369-M402 HydrophobicContact CE-CE 4.4Å; M369-M402 HydrophobicContact CE-CG 4.47Å; M369-M402 HydrophobicContact SD-CB 4.08Å; M369-M402 HydrophobicContact SD-CG 4.26Å; M369-Y406 HydrophobicContact CG-CE2 3.64Å; M369-Y406 WeakPolarHBondContact CG-OH 3.47Å; M369-Y406 HydrophobicContact SD-CE2 3.81Å; M369-Y406 PolarHBondContact SD-OH 3.41Å
370	W	98.4	Very high	97.5	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-70.8	-44.1	177.7	-73.7	118.9	0	0	0	113	W366 E367 L368 F372 T373 Y374 M402 M469 M470 W473	W366-W370 AromaticContact CD2-NE1 3.95Å; W366-W370 AromaticContact CE2-CD1 3.88Å; W366-W370 AromaticContact CE2-NE1 3.25Å; W366-W370 VanDerWaalsContact CE2-NE1 3.25Å; W366-W370 HydrophobicContact CH2-CZ2 4.36Å; W366-W370 AromaticContact CH2-NE1 3.94Å; W366-W370 HydrophobicContact CZ2-CZ2 4.26Å; W366-W370 AromaticContact CZ2-NE1 3.25Å; W366-W370 VanDerWaalsContact CZ2-NE1 3.25Å; W366-W370 AromaticContact NE1-CD1 3.66Å; W366-W370 AromaticContact NE1-NE1 3.45Å; W366-W370 VanDerWaalsContact O-CD1 3.23Å; W366-W370 PolarHBondContact O-N 3Å; E367-W370 PolarHBondContact O-N 3.5Å; E367-W370 VanDerWaalsContact O-N 3.09Å; L368-W370 VanDerWaalsContact C-N 3.26Å; L368-W370 PolarHBondContact O-N 3.05Å; W370-F372 VanDerWaalsContact C-N 3.3Å; W370-F372 PolarHBondContact O-N 3.19Å; W370-T373 HydrophobicContact CE3-CG2 4.07Å; W370-T373 HydrophobicContact CZ3-CG2 4.13Å; W370-T373 CarbonylContact O-C 3.57Å; W370-T373 WeakPolarHBondContact O-CA 3.38Å; W370-T373 VanDerWaalsContact O-CB 3.25Å; W370-T373 WeakPolarHBondContact O-CB 3.26Å; W370-T373 PolarHBondContact O-N 2.98Å; W370-Y374 HydrophobicContact CB-CE2 3.98Å; W370-Y374 HydrophobicContact CE3-CE1 4.16Å; W370-Y374 VanDerWaalsContact O-CD2 3.24Å; W370-Y374 WeakPolarHBondContact O-CD2 3.45Å; W370-Y374 PolarHBondContact O-N 3.42Å; W370-M402 HydrophobicContact CH2-CE 3.65Å; W370-M402 HydrophobicContact CH2-SD 4.39Å; W370-M402 HydrophobicContact CZ2-CE 4.2Å; W370-M402 HydrophobicContact CZ3-CE 4.08Å; W370-M469 HydrophobicContact CH2-CB 4.08Å; W370-M470 HydrophobicContact CZ3-CB 4.03Å; W370-M470 HydrophobicContact CZ3-CG 4.43Å; W370-W473 HydrophobicContact CH2-CB 4.47Å; W370-W473 AromaticContact CH2-CD1 3.66Å; W370-W473 HydrophobicContact CH2-CG 4.32Å; W370-W473 HydrophobicContact CZ2-CB 4.13Å; W370-W473 AromaticContact CZ2-CD1 3.22Å; W370-W473 AromaticContact CZ2-CG 3.74Å; W370-W473 HydrophobicContact CZ2-CG 3.74Å; W370-W473 AromaticContact CZ2-NE1 3.78Å
371	C	98.7	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-54.8	-46.3	175.2	-68.7	0	0	0	0	111.6	I344 E367 L368 T373 Y374 K375	I344-C371 HydrophobicContact CD1-CB 3.98Å; I344-C371 HydrophobicContact CG1-CB 3.6Å; E367-C371 PolarHBondContact O-N 3.1Å; E367-C371 PolarHBondContact O-SG 2.94Å; L368-C371 PolarHBondContact O-N 3.18Å; C371-T373 VanDerWaalsContact C-N 3.34Å; C371-T373 PolarHBondContact O-N 2.75Å; C371-Y374 PolarHBondContact O-N 2.76Å; C371-K375 WeakPolarHBondContact O-CG 3.18Å; C371-K375 PolarHBondContact O-N 2.91Å; C371-K375 VanDerWaalsContact O-N 3.15Å
372	F	98.7	Very high	97.8	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.088	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-28.8	176.1	-73.5	-64	0	0	0	113.2	I344 L368 W370 K375 R376 H377 M380 A381 Y384	I344-F372 HydrophobicContact CD1-CD1 4.39Å; I344-F372 HydrophobicContact CD1-CE1 3.97Å; I344-F372 HydrophobicContact CD1-CE2 4.37Å; I344-F372 HydrophobicContact CD1-CZ 3.95Å; I344-F372 HydrophobicContact CG1-CE2 4.45Å; I344-F372 HydrophobicContact CG1-CZ 4.38Å; I344-F372 HydrophobicContact CG2-CE2 4.45Å; I344-F372 HydrophobicContact CG2-CZ 4.1Å; L368-F372 HydrophobicContact CD2-CE2 4.21Å; L368-F372 WeakPolarHBondContact O-CD2 3.48Å; L368-F372 PolarHBondContact O-N 2.89Å; W370-F372 VanDerWaalsContact C-N 3.3Å; W370-F372 PolarHBondContact O-N 3.19Å; F372-K375 PolarHBondContact O-N 3.33Å; F372-R376 PolarHBondContact O-N 3.24Å; F372-R376 VanDerWaalsContact O-N 3.13Å; F372-H377 HydrophobicContact CB-CB 4.17Å; F372-H377 HydrophobicContact CD1-CB 3.8Å; F372-H377 AromaticContact CD1-ND1 3.77Å; F372-H377 HydrophobicContact CG-CB 4.43Å; F372-H377 PolarHBondContact O-N 3.13Å; F372-M380 HydrophobicContact CB-CB 3.96Å; F372-M380 HydrophobicContact CD1-CB 3.64Å; F372-M380 HydrophobicContact CD1-CG 4.13Å; F372-M380 HydrophobicContact CD2-CB 3.81Å; F372-M380 HydrophobicContact CE1-CB 4.06Å; F372-M380 HydrophobicContact CE1-CG 4.13Å; F372-M380 HydrophobicContact CE2-CB 4.26Å; F372-M380 HydrophobicContact CE2-CE 4.24Å; F372-M380 HydrophobicContact CG-CB 3.5Å; F372-M380 HydrophobicContact CG-CG 4.44Å; F372-M380 HydrophobicContact CZ-CB 4.36Å; F372-M380 HydrophobicContact CZ-CE 4.22Å; F372-M380 HydrophobicContact CZ-CG 4.49Å; F372-A381 HydrophobicContact CB-CB 4.13Å; F372-Y384 AromaticContact CD2-CD2 3.9Å; F372-Y384 HydrophobicContact CD2-CD2 3.9Å; F372-Y384 AromaticContact CD2-CE2 3.7Å; F372-Y384 HydrophobicContact CD2-CE2 3.7Å; F372-Y384 HydrophobicContact CE2-CD2 4.17Å; F372-Y384 AromaticContact CE2-CE2 3.48Å; F372-Y384 HydrophobicContact CE2-CE2 3.48Å; F372-Y384 VanDerWaalsContact CE2-CE2 3.48Å
373	T	98.6	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-46.3	171.4	-63.9	0	0	0	0	111.6	M369 W370 C371 K375 R376 W378 Y406	M369-T373 WeakPolarHBondContact O-CB 3.11Å; M369-T373 PolarHBondContact O-N 3.22Å; M369-T373 PolarHBondContact O-OG1 3.25Å; W370-T373 HydrophobicContact CE3-CG2 4.07Å; W370-T373 HydrophobicContact CZ3-CG2 4.13Å; W370-T373 CarbonylContact O-C 3.57Å; W370-T373 WeakPolarHBondContact O-CA 3.38Å; W370-T373 VanDerWaalsContact O-CB 3.25Å; W370-T373 WeakPolarHBondContact O-CB 3.26Å; W370-T373 PolarHBondContact O-N 2.98Å; C371-T373 VanDerWaalsContact C-N 3.34Å; C371-T373 PolarHBondContact O-N 2.75Å; T373-K375 VanDerWaalsContact C-N 3.27Å; T373-K375 PolarHBondContact O-N 3.33Å; T373-R376 WeakPolarHBondContact O-CA 3.36Å; T373-R376 PolarHBondContact O-N 2.58Å; T373-W378 HydrophobicContact CG2-CZ3 4.09Å; T373-Y406 HydrophobicContact CG2-CE1 4.27Å; T373-Y406 WeakPolarHBondContact OG1-CE1 3.37Å; T373-Y406 VanDerWaalsContact OG1-CZ 3.27Å; T373-Y406 PolarHBondContact OG1-OH 3.45Å
374	Y	98.5	Very high	97.9	Very high	4 Å²	4	31 Å²	31	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-36.5	177.7	-58.5	-29.2	0	0	0	112	E335 L340 W370 C371 R376 M470 V478 I479	E335-Y374 HydrophobicContact CG-CE2 4.18Å; E335-Y374 WeakPolarHBondContact OE1-CE2 3.26Å; L340-Y374 VanDerWaalsContact CD1-CB 3.46Å; L340-Y374 HydrophobicContact CD1-CD2 4.24Å; L340-Y374 HydrophobicContact CD1-CG 4.36Å; L340-Y374 HydrophobicContact CD2-CD2 3.75Å; W370-Y374 HydrophobicContact CB-CE2 3.98Å; W370-Y374 HydrophobicContact CE3-CE1 4.16Å; W370-Y374 VanDerWaalsContact O-CD2 3.24Å; W370-Y374 WeakPolarHBondContact O-CD2 3.45Å; W370-Y374 PolarHBondContact O-N 3.42Å; C371-Y374 PolarHBondContact O-N 2.76Å; Y374-R376 PolarHBondContact O-N 3.34Å; Y374-M470 HydrophobicContact CD1-CG 4.32Å; Y374-M470 HydrophobicContact CD1-SD 3.58Å; Y374-M470 VanDerWaalsContact CD1-SD 3.58Å; Y374-M470 HydrophobicContact CE1-CG 3.81Å; Y374-M470 HydrophobicContact CE1-SD 3.7Å; Y374-V478 HydrophobicContact CD2-CB 4.48Å; Y374-V478 HydrophobicContact CD2-CG1 3.75Å; Y374-V478 HydrophobicContact CE2-CB 4.11Å; Y374-V478 HydrophobicContact CE2-CG1 3.71Å; Y374-V478 HydrophobicContact CE2-CG2 4.35Å; Y374-V478 HydrophobicContact CG-CG1 4.45Å; Y374-I479 HydrophobicContact CD1-CG2 3.81Å; Y374-I479 HydrophobicContact CG-CG2 3.94Å
375	K	98.1	Very high	97.9	Very high	47 Å²	47	31 Å²	31	20%	0.204	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.3	172.9	-61.8	-178.4	79	98.4	0	113.9	L340 D341 I344 C371 F372 T373 H377	L340-K375 HydrophobicContact CB-CD 4.38Å; L340-K375 HydrophobicContact CB-CG 4.47Å; L340-K375 HydrophobicContact CD1-CD 4.48Å; L340-K375 HydrophobicContact CD1-CG 3.71Å; D341-K375 IonicContact OD1-NZ 3.64Å; D341-K375 PolarHBondContact OD1-NZ 3.22Å; D341-K375 IonicContact OD2-NZ 3.56Å; D341-K375 PolarHBondContact OD2-NZ 3.15Å; I344-K375 HydrophobicContact CD1-CD 4.06Å; C371-K375 WeakPolarHBondContact O-CG 3.18Å; C371-K375 PolarHBondContact O-N 2.91Å; C371-K375 VanDerWaalsContact O-N 3.15Å; F372-K375 PolarHBondContact O-N 3.33Å; T373-K375 VanDerWaalsContact C-N 3.27Å; T373-K375 PolarHBondContact O-N 3.33Å; K375-H377 PolarHBondContact O-CD2 2.95Å; K375-H377 PolarHBondContact O-N 2.66Å
376	R	97.6	Very high	97.8	Very high	87 Å²	87	30 Å²	30	33%	0.328	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.8	-173.5	-55.4	180	-65.2	149.5	3.6	113.9	F372 T373 Y374 W378 G488 I489 T492	F372-R376 PolarHBondContact O-N 3.24Å; F372-R376 VanDerWaalsContact O-N 3.13Å; T373-R376 WeakPolarHBondContact O-CA 3.36Å; T373-R376 PolarHBondContact O-N 2.58Å; Y374-R376 PolarHBondContact O-N 3.34Å; R376-W378 VanDerWaalsContact C-N 3.27Å; R376-W378 HydrophobicContact CB-CH2 4.44Å; R376-W378 HydrophobicContact CB-CZ2 3.8Å; R376-W378 HydrophobicContact CG-CH2 4.28Å; R376-W378 HydrophobicContact CG-CZ2 3.86Å; R376-W378 PolarHBondContact O-N 3.35Å; R376-W378 VanDerWaalsContact O-N 3.1Å; R376-G488 WeakPolarHBondContact CD-O 3.15Å; R376-G488 VanDerWaalsContact CZ-CA 3.41Å; R376-G488 VanDerWaalsContact CZ-O 3.24Å; R376-G488 PolarHBondContact NE-O 2.96Å; R376-G488 PolarHBondContact NH1-O 3.48Å; R376-I489 HydrophobicContact CG-CD1 3.62Å; R376-I489 HydrophobicContact CG-CG1 4.5Å; R376-T492 WeakPolarHBondContact CD-OG1 3.47Å; R376-T492 PolarHBondContact NH1-OG1 3.05Å
377	H	97.6	Very high	97.7	Very high	91 Å²	91	29.6 Å²	29.6	42%	0.421	13%	0.131	S	C	.	.			trans	-85.6	68	174.8	-69.4	-175.1	0	0	0	110.1	F372 K375 K379 M380 A381	F372-H377 HydrophobicContact CB-CB 4.17Å; F372-H377 HydrophobicContact CD1-CB 3.8Å; F372-H377 AromaticContact CD1-ND1 3.77Å; F372-H377 HydrophobicContact CG-CB 4.43Å; F372-H377 PolarHBondContact O-N 3.13Å; K375-H377 PolarHBondContact O-CD2 2.95Å; K375-H377 PolarHBondContact O-N 2.66Å; H377-K379 VanDerWaalsContact C-N 3.28Å; H377-K379 PolarHBondContact O-N 3.34Å; H377-K379 VanDerWaalsContact O-N 3.14Å; H377-M380 HydrophobicContact CB-CB 4.41Å; H377-M380 PolarHBondContact O-N 2.94Å; H377-A381 PolarHBondContact O-N 2.82Å
378	W	97.1	Very high	97.7	Very high	29 Å²	29	29.3 Å²	29.3	11%	0.11	13%	0.129	C	C	.	.	H	α-helix	trans	-55	-36.1	-169.8	-51.9	124.3	0	0	0	114.7	T373 R376 A381 Y382 Y406 M409 L410 P466 L467 T492	T373-W378 HydrophobicContact CG2-CZ3 4.09Å; R376-W378 VanDerWaalsContact C-N 3.27Å; R376-W378 HydrophobicContact CB-CH2 4.44Å; R376-W378 HydrophobicContact CB-CZ2 3.8Å; R376-W378 HydrophobicContact CG-CH2 4.28Å; R376-W378 HydrophobicContact CG-CZ2 3.86Å; R376-W378 PolarHBondContact O-N 3.35Å; R376-W378 VanDerWaalsContact O-N 3.1Å; W378-A381 PolarHBondContact O-N 2.91Å; W378-Y382 WeakPolarHBondContact O-CB 2.88Å; W378-Y382 PolarHBondContact O-N 3.23Å; W378-Y406 AromaticContact CE3-CD1 3.75Å; W378-Y406 HydrophobicContact CE3-CD1 3.75Å; W378-Y406 HydrophobicContact CE3-CE1 4.15Å; W378-Y406 HydrophobicContact CZ3-CD1 4.19Å; W378-Y406 HydrophobicContact CZ3-CE1 4.24Å; W378-M409 HydrophobicContact CB-CB 4.49Å; W378-M409 HydrophobicContact CD2-CB 3.77Å; W378-M409 HydrophobicContact CD2-CG 4.2Å; W378-M409 HydrophobicContact CE3-CB 4.31Å; W378-M409 HydrophobicContact CE3-CG 4.29Å; W378-M409 HydrophobicContact CG-CB 3.83Å; W378-M409 HydrophobicContact CH2-CE 4.47Å; W378-M409 HydrophobicContact CZ2-CE 3.99Å; W378-M409 HydrophobicContact CZ2-CG 4.43Å; W378-M409 HydrophobicContact CZ3-CG 4.43Å; W378-L410 HydrophobicContact CB-CD2 3.66Å; W378-L410 HydrophobicContact CB-CG 4.31Å; W378-P466 HydrophobicContact CH2-CG 4.31Å; W378-P466 HydrophobicContact CZ3-CB 4.17Å; W378-P466 HydrophobicContact CZ3-CG 3.89Å; W378-L467 HydrophobicContact CH2-CD2 3.91Å; W378-T492 HydrophobicContact CZ2-CG2 4.34Å
379	K	96.4	Very high	97.5	Very high	89 Å²	89	30.8 Å²	30.8	39%	0.387	14%	0.14	S	C	.	.	H	α-helix	trans	-63.5	-41.6	177.7	-64	-176.8	179.7	175.5	0	112.4	H377 F383 L410 D414 F418	H377-K379 VanDerWaalsContact C-N 3.28Å; H377-K379 PolarHBondContact O-N 3.34Å; H377-K379 VanDerWaalsContact O-N 3.14Å; K379-F383 PolarHBondContact O-N 3.1Å; K379-L410 HydrophobicContact CG-CD1 4.41Å; K379-L410 HydrophobicContact CG-CD2 3.77Å; K379-D414 VanDerWaalsContact CE-OD1 3.26Å; K379-D414 WeakPolarHBondContact CE-OD1 3.4Å; K379-D414 WeakPolarHBondContact CE-OD2 3.42Å; K379-D414 IonicContact NZ-OD1 2.7Å; K379-D414 PolarHBondContact NZ-OD1 2.94Å; K379-D414 IonicContact NZ-OD2 3.04Å; K379-D414 PolarHBondContact NZ-OD2 3.32Å; K379-F418 HydrophobicContact CB-CZ 4.11Å; K379-F418 HydrophobicContact CG-CE2 4.34Å; K379-F418 HydrophobicContact CG-CZ 4.01Å
380	M	97.4	Very high	97.2	Very high	73 Å²	73	37.5 Å²	37.5	36%	0.36	17%	0.169	S	C	.	.	H	α-helix	trans	-73	-40.1	177.5	-69.6	-56.5	-59.1	0	0	111.2	F372 H377 Y382 F383 Y384	F372-M380 HydrophobicContact CB-CB 3.96Å; F372-M380 HydrophobicContact CD1-CB 3.64Å; F372-M380 HydrophobicContact CD1-CG 4.13Å; F372-M380 HydrophobicContact CD2-CB 3.81Å; F372-M380 HydrophobicContact CE1-CB 4.06Å; F372-M380 HydrophobicContact CE1-CG 4.13Å; F372-M380 HydrophobicContact CE2-CB 4.26Å; F372-M380 HydrophobicContact CE2-CE 4.24Å; F372-M380 HydrophobicContact CG-CB 3.5Å; F372-M380 HydrophobicContact CG-CG 4.44Å; F372-M380 HydrophobicContact CZ-CB 4.36Å; F372-M380 HydrophobicContact CZ-CE 4.22Å; F372-M380 HydrophobicContact CZ-CG 4.49Å; H377-M380 HydrophobicContact CB-CB 4.41Å; H377-M380 PolarHBondContact O-N 2.94Å; M380-Y382 VanDerWaalsContact C-N 3.33Å; M380-Y382 PolarHBondContact O-N 3.37Å; M380-F383 WeakPolarHBondContact O-CB 3.42Å; M380-F383 PolarHBondContact O-N 3.03Å; M380-Y384 HydrophobicContact CE-CE2 3.97Å; M380-Y384 VanDerWaalsContact O-CD2 3.29Å; M380-Y384 WeakPolarHBondContact O-CD2 3.07Å; M380-Y384 PolarHBondContact O-N 3.43Å
381	A	98.3	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-42.7	174.3	0	0	0	0	0	111.6	F372 H377 W378 F383 Y384 A385 Y406	F372-A381 HydrophobicContact CB-CB 4.13Å; H377-A381 PolarHBondContact O-N 2.82Å; W378-A381 PolarHBondContact O-N 2.91Å; A381-F383 PolarHBondContact O-N 3.05Å; A381-Y384 PolarHBondContact O-N 2.64Å; A381-A385 WeakPolarHBondContact O-CB 3.24Å; A381-A385 PolarHBondContact O-N 2.89Å; A381-Y406 HydrophobicContact CB-CD1 3.89Å; A381-Y406 HydrophobicContact CB-CD2 4.01Å; A381-Y406 HydrophobicContact CB-CE1 3.67Å; A381-Y406 HydrophobicContact CB-CE2 3.79Å; A381-Y406 HydrophobicContact CB-CG 4.07Å; A381-Y406 WeakPolarHBondContact O-CE2 3.41Å
382	Y	97.4	Very high	96.6	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-46	171.7	171.6	-82.7	0	0	0	111.8	W378 M380 Y384 A385 D386 K403 L407 F418 E420	W378-Y382 WeakPolarHBondContact O-CB 2.88Å; W378-Y382 PolarHBondContact O-N 3.23Å; M380-Y382 VanDerWaalsContact C-N 3.33Å; M380-Y382 PolarHBondContact O-N 3.37Å; Y382-Y384 VanDerWaalsContact C-N 3.34Å; Y382-Y384 PolarHBondContact O-N 2.98Å; Y382-A385 PolarHBondContact O-N 3.3Å; Y382-D386 HydrophobicContact CE1-CB 4.1Å; Y382-D386 WeakPolarHBondContact O-CB 3.5Å; Y382-D386 PolarHBondContact O-N 3.43Å; Y382-K403 HydrophobicContact CD2-CG 3.61Å; Y382-K403 HydrophobicContact CE2-CD 4.03Å; Y382-K403 VanDerWaalsContact CE2-CE 3.49Å; Y382-K403 HydrophobicContact CE2-CG 3.26Å; Y382-K403 WeakPolarHBondContact OH-CE 3.49Å; Y382-L407 HydrophobicContact CD2-CD1 4.47Å; Y382-L407 HydrophobicContact CD2-CD2 3.62Å; Y382-L407 HydrophobicContact CD2-CG 3.65Å; Y382-L407 HydrophobicContact CE2-CD1 3.82Å; Y382-L407 HydrophobicContact CE2-CD2 3.5Å; Y382-L407 VanDerWaalsContact CE2-CD2 3.5Å; Y382-L407 HydrophobicContact CE2-CG 3.49Å; Y382-L407 VanDerWaalsContact CE2-CG 3.49Å; Y382-L407 HydrophobicContact CG-CD2 4.41Å; Y382-F418 AromaticContact CD1-CD1 3.47Å; Y382-F418 HydrophobicContact CD1-CD1 3.47Å; Y382-F418 VanDerWaalsContact CD1-CD1 3.47Å; Y382-F418 AromaticContact CD1-CE1 3.4Å; Y382-F418 HydrophobicContact CD1-CE1 3.4Å; Y382-F418 VanDerWaalsContact CD1-CE1 3.4Å; Y382-F418 HydrophobicContact CD1-CG 4.28Å; Y382-F418 HydrophobicContact CD1-CZ 4.2Å; Y382-F418 HydrophobicContact CE1-CB 4.27Å; Y382-F418 AromaticContact CE1-CD1 3.13Å; Y382-F418 HydrophobicContact CE1-CD1 3.13Å; Y382-F418 AromaticContact CE1-CE1 3.6Å; Y382-F418 HydrophobicContact CE1-CE1 3.6Å; Y382-F418 AromaticContact CE1-CG 3.88Å; Y382-F418 HydrophobicContact CE1-CG 3.88Å; Y382-F418 HydrophobicContact CG-CD1 4.39Å; Y382-F418 HydrophobicContact CG-CE1 4.28Å; Y382-F418 AromaticContact CZ-CD1 3.77Å; Y382-E420 PolarHBondContact OH-OE2 2.68Å
383	F	96.7	Very high	96.2	Very high	97 Å²	97	43 Å²	43	43%	0.425	20%	0.2	S	C	.	.	H	α-helix	trans	-56.3	-47.4	-179.3	172	-98.9	0	0	0	112	K379 M380 A381 D386 L387	K379-F383 PolarHBondContact O-N 3.1Å; M380-F383 WeakPolarHBondContact O-CB 3.42Å; M380-F383 PolarHBondContact O-N 3.03Å; A381-F383 PolarHBondContact O-N 3.05Å; F383-D386 PolarHBondContact O-N 2.73Å; F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.49Å; F383-L387 VanDerWaalsContact CE1-CD1 3.49Å; F383-L387 HydrophobicContact CE1-CG 4.35Å; F383-L387 HydrophobicContact CE2-CD1 4.4Å; F383-L387 HydrophobicContact CZ-CD1 3.65Å; F383-L387 HydrophobicContact CZ-CG 4.24Å; F383-L387 PolarHBondContact O-N 3.17Å
384	Y	98.1	Very high	95.7	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-36.5	177.4	-72.5	-67.5	0	0	0	112.9	Y365 L368 F372 M380 A381 Y382 D386 L387 L388	Y365-Y384 AromaticContact CD1-CD1 3.62Å; Y365-Y384 HydrophobicContact CD1-CD1 3.62Å; Y365-Y384 AromaticContact CD1-CE1 3.58Å; Y365-Y384 HydrophobicContact CD1-CE1 3.58Å; Y365-Y384 HydrophobicContact CE1-CD1 4.4Å; Y365-Y384 HydrophobicContact CE1-CE1 4.06Å; Y365-Y384 AromaticContact CG-CD1 3.82Å; Y365-Y384 HydrophobicContact CG-CD1 3.82Å; Y365-Y384 HydrophobicContact CG-CE1 4.27Å; L368-Y384 HydrophobicContact CB-CD1 4.22Å; L368-Y384 HydrophobicContact CB-CD2 3.88Å; L368-Y384 HydrophobicContact CB-CE1 4.16Å; L368-Y384 HydrophobicContact CB-CE2 3.83Å; L368-Y384 HydrophobicContact CB-CG 4.08Å; L368-Y384 HydrophobicContact CD1-CD1 4.4Å; L368-Y384 HydrophobicContact CD1-CE1 3.71Å; L368-Y384 HydrophobicContact CD1-CE2 4.42Å; F372-Y384 AromaticContact CD2-CD2 3.9Å; F372-Y384 HydrophobicContact CD2-CD2 3.9Å; F372-Y384 AromaticContact CD2-CE2 3.7Å; F372-Y384 HydrophobicContact CD2-CE2 3.7Å; F372-Y384 HydrophobicContact CE2-CD2 4.17Å; F372-Y384 AromaticContact CE2-CE2 3.48Å; F372-Y384 HydrophobicContact CE2-CE2 3.48Å; F372-Y384 VanDerWaalsContact CE2-CE2 3.48Å; M380-Y384 HydrophobicContact CE-CE2 3.97Å; M380-Y384 VanDerWaalsContact O-CD2 3.29Å; M380-Y384 WeakPolarHBondContact O-CD2 3.07Å; M380-Y384 PolarHBondContact O-N 3.43Å; A381-Y384 PolarHBondContact O-N 2.64Å; Y382-Y384 VanDerWaalsContact C-N 3.34Å; Y382-Y384 PolarHBondContact O-N 2.98Å; Y384-D386 VanDerWaalsContact C-N 3.3Å; Y384-D386 PolarHBondContact O-N 3.08Å; Y384-L387 HydrophobicContact CD1-CD1 4.23Å; Y384-L387 PolarHBondContact O-N 3.31Å; Y384-L388 WeakPolarHBondContact O-CB 3.45Å; Y384-L388 WeakPolarHBondContact O-CG 3.31Å; Y384-L388 PolarHBondContact O-N 3.44Å
385	A	97.6	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-37.1	172.8	0	0	0	0	0	112.3	M369 A381 Y382 S389 M402 K403 Y406	M369-A385 HydrophobicContact CG-CB 4.45Å; M369-A385 HydrophobicContact SD-CB 3.98Å; A381-A385 WeakPolarHBondContact O-CB 3.24Å; A381-A385 PolarHBondContact O-N 2.89Å; Y382-A385 PolarHBondContact O-N 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.35Å; A385-S389 PolarHBondContact O-N 3Å; A385-M402 HydrophobicContact CB-CB 4.35Å; A385-K403 HydrophobicContact CB-CB 4.2Å; A385-Y406 HydrophobicContact CB-CD2 4.03Å; A385-Y406 HydrophobicContact CB-CE2 3.92Å
386	D	96.2	Very high	95.1	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-47.6	175.9	179.3	54.2	0	0	0	111.6	Y382 F383 Y384 L388 S389 K390 K403	Y382-D386 HydrophobicContact CE1-CB 4.1Å; Y382-D386 WeakPolarHBondContact O-CB 3.5Å; Y382-D386 PolarHBondContact O-N 3.43Å; F383-D386 PolarHBondContact O-N 2.73Å; Y384-D386 VanDerWaalsContact C-N 3.3Å; Y384-D386 PolarHBondContact O-N 3.08Å; D386-L388 VanDerWaalsContact C-N 3.34Å; D386-L388 PolarHBondContact O-N 2.7Å; D386-S389 PolarHBondContact O-N 3.48Å; D386-S389 PolarHBondContact O-OG 3.48Å; D386-K390 VanDerWaalsContact CG-NZ 3.29Å; D386-K390 WeakPolarHBondContact O-CG 3.33Å; D386-K390 PolarHBondContact O-N 3.2Å; D386-K390 WeakPolarHBondContact OD1-CE 3.07Å; D386-K390 IonicContact OD1-NZ 3.48Å; D386-K390 PolarHBondContact OD1-NZ 3.19Å; D386-K390 VanDerWaalsContact OD1-NZ 3.15Å; D386-K390 WeakPolarHBondContact OD2-CE 3.46Å; D386-K390 IonicContact OD2-NZ 2.72Å; D386-K390 PolarHBondContact OD2-NZ 2.86Å; D386-K403 HydrophobicContact CB-CD 4.17Å; D386-K403 VanDerWaalsContact OD1-CE 3.24Å; D386-K403 WeakPolarHBondContact OD1-CE 3.47Å; D386-K403 IonicContact OD1-NZ 2.73Å; D386-K403 PolarHBondContact OD1-NZ 3.15Å
387	L	96.2	Very high	95	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-55.3	-49.1	173.4	-73.7	177.3	0	0	0	111.6	Y365 F383 Y384 S389 K390 E391	Y365-L387 HydrophobicContact CD2-CB 4.16Å; Y365-L387 HydrophobicContact CD2-CD1 4.23Å; Y365-L387 HydrophobicContact CE2-CB 4.39Å; Y365-L387 HydrophobicContact CE2-CD1 4.02Å; F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.49Å; F383-L387 VanDerWaalsContact CE1-CD1 3.49Å; F383-L387 HydrophobicContact CE1-CG 4.35Å; F383-L387 HydrophobicContact CE2-CD1 4.4Å; F383-L387 HydrophobicContact CZ-CD1 3.65Å; F383-L387 HydrophobicContact CZ-CG 4.24Å; F383-L387 PolarHBondContact O-N 3.17Å; Y384-L387 HydrophobicContact CD1-CD1 4.23Å; Y384-L387 PolarHBondContact O-N 3.31Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 2.75Å; L387-K390 PolarHBondContact O-N 3.29Å; L387-E391 WeakPolarHBondContact O-CB 3.34Å; L387-E391 WeakPolarHBondContact O-CG 3.34Å; L387-E391 PolarHBondContact O-N 2.8Å
388	L	96.5	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-42.5	176.9	-73.5	167.9	0	0	0	112.3	H362 W366 Y384 D386 K390 E391 N392 Y399	H362-L388 HydrophobicContact CB-CD2 4.12Å; H362-L388 WeakPolarHBondContact O-CD2 2.97Å; W366-L388 HydrophobicContact CB-CD1 4.25Å; W366-L388 HydrophobicContact CE3-CD1 4.14Å; Y384-L388 WeakPolarHBondContact O-CB 3.45Å; Y384-L388 WeakPolarHBondContact O-CG 3.31Å; Y384-L388 PolarHBondContact O-N 3.44Å; D386-L388 VanDerWaalsContact C-N 3.34Å; D386-L388 PolarHBondContact O-N 2.7Å; L388-K390 PolarHBondContact O-N 3.23Å; L388-E391 PolarHBondContact O-N 3.31Å; L388-N392 HydrophobicContact CD2-CB 4.07Å; L388-N392 WeakPolarHBondContact O-CA 3.5Å; L388-N392 WeakPolarHBondContact O-CB 3.27Å; L388-N392 PolarHBondContact O-N 2.98Å; L388-Y399 HydrophobicContact CB-CD1 3.84Å; L388-Y399 HydrophobicContact CB-CD2 4.04Å; L388-Y399 HydrophobicContact CB-CE1 4.14Å; L388-Y399 HydrophobicContact CB-CE2 4.32Å; L388-Y399 HydrophobicContact CB-CG 3.81Å; L388-Y399 HydrophobicContact CD1-CD1 4.15Å; L388-Y399 HydrophobicContact CD1-CE1 4.11Å; L388-Y399 HydrophobicContact CD2-CE1 4.46Å; L388-Y399 HydrophobicContact CG-CE1 4.49Å; L388-Y399 WeakPolarHBondContact O-CD2 3.44Å
389	S	94.6	Very high	94.9	Very high	33 Å²	33	39.8 Å²	39.8	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-30.5	179.6	77	0	0	0	0	113.1	A385 D386 L387	A385-S389 WeakPolarHBondContact O-CB 3.35Å; A385-S389 PolarHBondContact O-N 3Å; D386-S389 PolarHBondContact O-N 3.48Å; D386-S389 PolarHBondContact O-OG 3.48Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 2.75Å
390	K	93.1	Very high	94.9	Very high	140 Å²	140	35.8 Å²	35.8	61%	0.609	17%	0.171	S	C	*	.	H	α-helix	trans	-85.7	-39.3	-179.5	-73	169.5	175.7	166	0	112.6	D386 L387 L388	D386-K390 VanDerWaalsContact CG-NZ 3.29Å; D386-K390 WeakPolarHBondContact O-CG 3.33Å; D386-K390 PolarHBondContact O-N 3.2Å; D386-K390 WeakPolarHBondContact OD1-CE 3.07Å; D386-K390 IonicContact OD1-NZ 3.48Å; D386-K390 PolarHBondContact OD1-NZ 3.19Å; D386-K390 VanDerWaalsContact OD1-NZ 3.15Å; D386-K390 WeakPolarHBondContact OD2-CE 3.46Å; D386-K390 IonicContact OD2-NZ 2.72Å; D386-K390 PolarHBondContact OD2-NZ 2.86Å; L387-K390 PolarHBondContact O-N 3.29Å; L388-K390 PolarHBondContact O-N 3.23Å
391	E	92.9	Very high	94.9	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.402	15%	0.154	S	C	.	.	H	α-helix	trans	-106.9	-26.3	-167.2	-59.4	-171.6	-171.5	0	0	114.6	H362 L387 L388	H362-E391 IonicContact CD2-OE2 3.75Å; H362-E391 IonicContact CE1-OE2 3.28Å; H362-E391 VanDerWaalsContact NE2-CB 3.31Å; H362-E391 WeakPolarHBondContact NE2-CB 3.29Å; H362-E391 IonicContact NE2-OE2 3.49Å; H362-E391 PolarHBondContact NE2-OE2 3.01Å; L387-E391 WeakPolarHBondContact O-CB 3.34Å; L387-E391 WeakPolarHBondContact O-CG 3.34Å; L387-E391 PolarHBondContact O-N 2.8Å; L388-E391 PolarHBondContact O-N 3.31Å
392	N	91.5	Very high	94.9	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.08	15%	0.154	C	C	.	.			trans	-103.7	130.2	-173	-168.9	-20.9	0	0	0	111.9	L388 W394 Y399	L388-N392 HydrophobicContact CD2-CB 4.07Å; L388-N392 WeakPolarHBondContact O-CA 3.5Å; L388-N392 WeakPolarHBondContact O-CB 3.27Å; L388-N392 PolarHBondContact O-N 2.98Å; N392-W394 WeakPolarHBondContact OD1-CB 3.4Å; N392-W394 PolarHBondContact OD1-N 3.2Å; N392-Y399 HydrophobicContact CB-CD2 4.49Å; N392-Y399 HydrophobicContact CB-CE2 3.73Å; N392-Y399 PolarHBondContact ND2-OH 3.2Å
393	S	89.7	Confident	94.9	Very high	39 Å²	39	32.2 Å²	32.2	27%	0.273	15%	0.154	S	C	.	.			trans	-87.9	-14.9	-178.4	-67.9	0	0	0	0	114.5	S395 Q434	S393-S395 PolarHBondContact O-N 3.43Å; S393-Q434 PolarHBondContact O-NE2 2.94Å; S393-Q434 PolarHBondContact O-OE1 2.96Å; S393-Q434 VanDerWaalsContact O-OE1 3.09Å
394	W	87.9	Confident	94.9	Very high	69 Å²	69	27.6 Å²	27.6	26%	0.261	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.3	-168.2	-93.3	99.1	0	0	0	116.7	M126 M127 F129 N392 Q434 I436 L441	M126-W394 HydrophobicContact CE-CH2 4.19Å; M126-W394 HydrophobicContact CE-CZ2 4.45Å; M126-W394 WeakPolarHBondContact O-CZ2 3.44Å; M126-W394 PolarHBondContact O-NE1 2.99Å; M127-W394 PolarHBondContact O-NE1 3.39Å; F129-W394 HydrophobicContact CB-CD2 4.38Å; F129-W394 HydrophobicContact CB-CG 4.35Å; F129-W394 HydrophobicContact CD2-CD2 4.05Å; F129-W394 AromaticContact CD2-CE2 3.93Å; F129-W394 HydrophobicContact CD2-CE3 4.09Å; F129-W394 AromaticContact CD2-CH2 3.99Å; F129-W394 HydrophobicContact CD2-CH2 3.99Å; F129-W394 AromaticContact CD2-CZ2 3.93Å; F129-W394 HydrophobicContact CD2-CZ2 3.93Å; F129-W394 HydrophobicContact CD2-CZ3 4.07Å; F129-W394 HydrophobicContact CE2-CE3 4.35Å; F129-W394 HydrophobicContact CE2-CH2 4.22Å; F129-W394 HydrophobicContact CE2-CZ3 4.08Å; F129-W394 HydrophobicContact CG-CD2 4.37Å; N392-W394 WeakPolarHBondContact OD1-CB 3.4Å; N392-W394 PolarHBondContact OD1-N 3.2Å; W394-Q434 VanDerWaalsContact O-CD 3.25Å; W394-Q434 PolarHBondContact O-NE2 3.07Å; W394-Q434 PolarHBondContact O-OE1 3.49Å; W394-I436 HydrophobicContact CE3-CD1 4.06Å; W394-I436 HydrophobicContact CZ3-CD1 3.72Å; W394-L441 WeakPolarHBondContact O-CD1 3.27Å
395	S	91.1	Very high	94.9	Very high	13 Å²	13	26.7 Å²	26.7	9%	0.091	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.1	57.5	-177.5	-156.3	0	0	0	0	113.6	S393 A397 T398 Y399 E444	S393-S395 PolarHBondContact O-N 3.43Å; S395-A397 VanDerWaalsContact C-N 3.28Å; S395-A397 PolarHBondContact O-N 3.25Å; S395-T398 WeakPolarHBondContact O-CA 3.42Å; S395-T398 PolarHBondContact O-N 3Å; S395-T398 VanDerWaalsContact OG-CB 3.27Å; S395-T398 WeakPolarHBondContact OG-CB 3.44Å; S395-T398 PolarHBondContact OG-OG1 3.34Å; S395-Y399 VanDerWaalsContact O-CD2 3.31Å; S395-Y399 WeakPolarHBondContact O-CD2 3.44Å; S395-Y399 PolarHBondContact O-N 3.26Å; S395-E444 VanDerWaalsContact CA-OE1 3.27Å; S395-E444 WeakPolarHBondContact CA-OE1 3.41Å; S395-E444 WeakPolarHBondContact OG-CG 3.29Å; S395-E444 PolarHBondContact OG-OE1 2.99Å
396	K	92.6	Very high	94.9	Very high	91 Å²	91	26.7 Å²	26.7	40%	0.396	13%	0.13	S	C	.	.	H	α-helix	trans	-53.7	-41.9	-173.2	-65.7	-171.5	179.8	-176.3	0	113.4	Y399 A400 L432	K396-Y399 PolarHBondContact O-N 3.31Å; K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.75Å; K396-L432 HydrophobicContact CB-CB 4.21Å
397	A	95.7	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-37.8	177.8	0	0	0	0	0	112.3	S395 F401 V429 L432 E444	S395-A397 VanDerWaalsContact C-N 3.28Å; S395-A397 PolarHBondContact O-N 3.25Å; A397-F401 VanDerWaalsContact O-CB 3.28Å; A397-F401 WeakPolarHBondContact O-CB 3.42Å; A397-F401 PolarHBondContact O-N 3.29Å; A397-V429 HydrophobicContact CB-CG1 4.19Å; A397-L432 HydrophobicContact CB-CB 4.02Å; A397-E444 HydrophobicContact CB-CB 4.16Å; A397-E444 HydrophobicContact CB-CG 3.87Å
398	T	96.3	Very high	94.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-69.2	-43.3	175.6	-66.1	0	0	0	0	111.4	W366 S395 A400 F401 M402 M469	W366-T398 HydrophobicContact CH2-CG2 4.22Å; W366-T398 HydrophobicContact CZ3-CG2 4.34Å; S395-T398 WeakPolarHBondContact O-CA 3.42Å; S395-T398 PolarHBondContact O-N 3Å; S395-T398 VanDerWaalsContact OG-CB 3.27Å; S395-T398 WeakPolarHBondContact OG-CB 3.44Å; S395-T398 PolarHBondContact OG-OG1 3.34Å; T398-A400 PolarHBondContact O-N 3.15Å; T398-F401 PolarHBondContact O-N 3.29Å; T398-M402 HydrophobicContact CG2-CG 4.35Å; T398-M402 WeakPolarHBondContact O-CG 3.47Å; T398-M402 PolarHBondContact O-N 3.18Å; T398-M469 HydrophobicContact CG2-CE 4.29Å
399	Y	96.4	Very high	94.8	Very high	15 Å²	15	28.7 Å²	28.7	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-45.2	177.6	-54	-38.9	0	0	0	112	W366 L388 N392 S395 K396 F401 M402 K403	W366-Y399 HydrophobicContact CE3-CD1 4.26Å; W366-Y399 AromaticContact CE3-CE1 3.66Å; W366-Y399 HydrophobicContact CE3-CE1 3.66Å; W366-Y399 HydrophobicContact CZ3-CD1 4.02Å; W366-Y399 AromaticContact CZ3-CE1 3.65Å; W366-Y399 HydrophobicContact CZ3-CE1 3.65Å; L388-Y399 HydrophobicContact CB-CD1 3.84Å; L388-Y399 HydrophobicContact CB-CD2 4.04Å; L388-Y399 HydrophobicContact CB-CE1 4.14Å; L388-Y399 HydrophobicContact CB-CE2 4.32Å; L388-Y399 HydrophobicContact CB-CG 3.81Å; L388-Y399 HydrophobicContact CD1-CD1 4.15Å; L388-Y399 HydrophobicContact CD1-CE1 4.11Å; L388-Y399 HydrophobicContact CD2-CE1 4.46Å; L388-Y399 HydrophobicContact CG-CE1 4.49Å; L388-Y399 WeakPolarHBondContact O-CD2 3.44Å; N392-Y399 HydrophobicContact CB-CD2 4.49Å; N392-Y399 HydrophobicContact CB-CE2 3.73Å; N392-Y399 PolarHBondContact ND2-OH 3.2Å; S395-Y399 VanDerWaalsContact O-CD2 3.31Å; S395-Y399 WeakPolarHBondContact O-CD2 3.44Å; S395-Y399 PolarHBondContact O-N 3.26Å; K396-Y399 PolarHBondContact O-N 3.31Å; Y399-F401 VanDerWaalsContact C-N 3.33Å; Y399-F401 PolarHBondContact O-N 3.38Å; Y399-M402 PolarHBondContact O-N 3.15Å; Y399-K403 WeakPolarHBondContact O-CB 3.47Å; Y399-K403 PolarHBondContact O-N 2.96Å
400	A	96.8	Very high	94.7	Very high	6 Å²	6	28.2 Å²	28.2	5%	0.05	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-39	175.4	0	0	0	0	0	112.6	K396 T398 K403 A404 V429 L432	K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 2.75Å; T398-A400 PolarHBondContact O-N 3.15Å; A400-K403 PolarHBondContact O-N 3.21Å; A400-A404 WeakPolarHBondContact O-CB 3.49Å; A400-A404 PolarHBondContact O-N 3.13Å; A400-V429 HydrophobicContact CB-CG2 4.27Å; A400-L432 HydrophobicContact CB-CD1 3.39Å
401	F	98.1	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-46.9	174.7	-178.3	-86.1	0	0	0	111.8	A397 T398 Y399 K403 A404 A405 F426 V429 A447 K450 L462 A465 M469	A397-F401 VanDerWaalsContact O-CB 3.28Å; A397-F401 WeakPolarHBondContact O-CB 3.42Å; A397-F401 PolarHBondContact O-N 3.29Å; T398-F401 PolarHBondContact O-N 3.29Å; Y399-F401 VanDerWaalsContact C-N 3.33Å; Y399-F401 PolarHBondContact O-N 3.38Å; F401-K403 VanDerWaalsContact C-N 3.32Å; F401-K403 PolarHBondContact O-N 3.15Å; F401-A404 PolarHBondContact O-N 3.3Å; F401-A405 HydrophobicContact CE1-CB 4.39Å; F401-A405 VanDerWaalsContact O-CB 3.27Å; F401-A405 WeakPolarHBondContact O-CB 3.42Å; F401-A405 PolarHBondContact O-N 3.26Å; F401-F426 AromaticContact CD2-CD1 3.89Å; F401-F426 HydrophobicContact CD2-CD1 3.89Å; F401-F426 AromaticContact CD2-CE1 3.68Å; F401-F426 HydrophobicContact CD2-CE1 3.68Å; F401-F426 HydrophobicContact CE2-CD1 4Å; F401-F426 AromaticContact CE2-CE1 3.55Å; F401-F426 HydrophobicContact CE2-CE1 3.55Å; F401-F426 HydrophobicContact CG-CE1 4.3Å; F401-F426 HydrophobicContact CZ-CE1 4.07Å; F401-V429 HydrophobicContact CB-CG1 4.35Å; F401-V429 HydrophobicContact CB-CG2 3.94Å; F401-V429 HydrophobicContact CD2-CG2 4.42Å; F401-A447 HydrophobicContact CB-CB 3.75Å; F401-A447 HydrophobicContact CD1-CB 4.24Å; F401-A447 HydrophobicContact CD2-CB 3.69Å; F401-A447 HydrophobicContact CE2-CB 4.37Å; F401-A447 HydrophobicContact CG-CB 3.61Å; F401-K450 HydrophobicContact CE2-CB 3.74Å; F401-K450 HydrophobicContact CZ-CB 3.99Å; F401-L462 HydrophobicContact CE2-CD1 4.16Å; F401-L462 HydrophobicContact CZ-CD1 4.01Å; F401-A465 HydrophobicContact CZ-CB 4.42Å; F401-M469 HydrophobicContact CD1-CG 4.06Å; F401-M469 HydrophobicContact CE1-CG 3.58Å; F401-M469 HydrophobicContact CE1-SD 4.29Å
402	M	98.2	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-41.4	178.2	-68.4	-53.6	-64.5	0	0	111.2	M369 W370 A385 T398 Y399 A404 A405 Y406 P466 M469	M369-M402 HydrophobicContact CE-CE 4.4Å; M369-M402 HydrophobicContact CE-CG 4.47Å; M369-M402 HydrophobicContact SD-CB 4.08Å; M369-M402 HydrophobicContact SD-CG 4.26Å; W370-M402 HydrophobicContact CH2-CE 3.65Å; W370-M402 HydrophobicContact CH2-SD 4.39Å; W370-M402 HydrophobicContact CZ2-CE 4.2Å; W370-M402 HydrophobicContact CZ3-CE 4.08Å; A385-M402 HydrophobicContact CB-CB 4.35Å; T398-M402 HydrophobicContact CG2-CG 4.35Å; T398-M402 WeakPolarHBondContact O-CG 3.47Å; T398-M402 PolarHBondContact O-N 3.18Å; Y399-M402 PolarHBondContact O-N 3.15Å; M402-A404 PolarHBondContact O-N 2.82Å; M402-A405 WeakPolarHBondContact O-CB 3.11Å; M402-A405 PolarHBondContact O-N 3Å; M402-Y406 HydrophobicContact CB-CE2 3.98Å; M402-Y406 HydrophobicContact CE-CE1 4.09Å; M402-Y406 HydrophobicContact CE-CE2 4.1Å; M402-Y406 WeakPolarHBondContact CE-OH 3.19Å; M402-Y406 WeakPolarHBondContact O-CD2 3.42Å; M402-Y406 PolarHBondContact O-N 3.13Å; M402-P466 HydrophobicContact CE-CB 4.42Å; M402-M469 HydrophobicContact CE-CB 4.16Å; M402-M469 HydrophobicContact SD-CB 3.66Å; M402-M469 HydrophobicContact SD-CE 4.11Å; M402-M469 HydrophobicContact SD-CG 3.68Å
403	K	96.6	Very high	93.9	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-48.1	174.5	-169.2	-177.9	172.3	-176.3	0	111.8	Y382 A385 D386 Y399 A400 F401 Y406 L407 E420 L425	Y382-K403 HydrophobicContact CD2-CG 3.61Å; Y382-K403 HydrophobicContact CE2-CD 4.03Å; Y382-K403 VanDerWaalsContact CE2-CE 3.49Å; Y382-K403 HydrophobicContact CE2-CG 3.26Å; Y382-K403 WeakPolarHBondContact OH-CE 3.49Å; A385-K403 HydrophobicContact CB-CB 4.2Å; D386-K403 HydrophobicContact CB-CD 4.17Å; D386-K403 VanDerWaalsContact OD1-CE 3.24Å; D386-K403 WeakPolarHBondContact OD1-CE 3.47Å; D386-K403 IonicContact OD1-NZ 2.73Å; D386-K403 PolarHBondContact OD1-NZ 3.15Å; Y399-K403 WeakPolarHBondContact O-CB 3.47Å; Y399-K403 PolarHBondContact O-N 2.96Å; A400-K403 PolarHBondContact O-N 3.21Å; F401-K403 VanDerWaalsContact C-N 3.32Å; F401-K403 PolarHBondContact O-N 3.15Å; K403-Y406 PolarHBondContact O-N 3.48Å; K403-L407 PolarHBondContact O-N 2.87Å; K403-L407 VanDerWaalsContact O-N 3.13Å; K403-E420 WeakPolarHBondContact CE-OE2 3.22Å; K403-E420 IonicContact NZ-OE1 3.24Å; K403-E420 PolarHBondContact NZ-OE1 3.49Å; K403-E420 IonicContact NZ-OE2 3.66Å; K403-E420 PolarHBondContact NZ-OE2 2.82Å; K403-L425 HydrophobicContact CB-CD1 4.38Å; K403-L425 HydrophobicContact CD-CD1 3.97Å; K403-L425 HydrophobicContact CD-CD2 4.44Å; K403-L425 HydrophobicContact CG-CD1 3.86Å
404	A	97.5	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-41.8	174.5	0	0	0	0	0	112.3	A400 F401 M402 Y406 L407 S408 L425 F426	A400-A404 WeakPolarHBondContact O-CB 3.49Å; A400-A404 PolarHBondContact O-N 3.13Å; F401-A404 PolarHBondContact O-N 3.3Å; M402-A404 PolarHBondContact O-N 2.82Å; A404-Y406 PolarHBondContact O-N 2.69Å; A404-L407 PolarHBondContact O-N 2.91Å; A404-S408 PolarHBondContact O-N 2.91Å; A404-L425 HydrophobicContact CB-CB 3.62Å; A404-L425 HydrophobicContact CB-CD1 4.44Å; A404-F426 HydrophobicContact CB-CD1 3.63Å; A404-F426 HydrophobicContact CB-CD2 3.78Å; A404-F426 HydrophobicContact CB-CE1 3.59Å; A404-F426 HydrophobicContact CB-CE2 3.74Å; A404-F426 HydrophobicContact CB-CG 3.72Å; A404-F426 HydrophobicContact CB-CZ 3.65Å
405	A	97.9	Very high	93.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-40.2	178.9	0	0	0	0	0	112.1	F401 M402 S408 M409 F426 A465 P466	F401-A405 HydrophobicContact CE1-CB 4.39Å; F401-A405 VanDerWaalsContact O-CB 3.27Å; F401-A405 WeakPolarHBondContact O-CB 3.42Å; F401-A405 PolarHBondContact O-N 3.26Å; M402-A405 WeakPolarHBondContact O-CB 3.11Å; M402-A405 PolarHBondContact O-N 3Å; A405-S408 WeakPolarHBondContact CA-OG 3.04Å; A405-S408 PolarHBondContact O-N 2.85Å; A405-S408 PolarHBondContact O-OG 3.22Å; A405-M409 WeakPolarHBondContact O-CG 3.42Å; A405-M409 PolarHBondContact O-N 3.41Å; A405-F426 HydrophobicContact CB-CZ 4.4Å; A405-A465 HydrophobicContact CB-CB 3.62Å; A405-P466 HydrophobicContact CB-CB 4.28Å; A405-P466 HydrophobicContact CB-CG 4.47Å
406	Y	97.9	Very high	93.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.1	-40.1	175.2	-62.5	-48.1	0	0	0	112.5	M369 T373 W378 A381 A385 M402 K403 A404 S408 M409 L410 P466	M369-Y406 HydrophobicContact CG-CE2 3.64Å; M369-Y406 WeakPolarHBondContact CG-OH 3.47Å; M369-Y406 HydrophobicContact SD-CE2 3.81Å; M369-Y406 PolarHBondContact SD-OH 3.41Å; T373-Y406 HydrophobicContact CG2-CE1 4.27Å; T373-Y406 WeakPolarHBondContact OG1-CE1 3.37Å; T373-Y406 VanDerWaalsContact OG1-CZ 3.27Å; T373-Y406 PolarHBondContact OG1-OH 3.45Å; W378-Y406 AromaticContact CE3-CD1 3.75Å; W378-Y406 HydrophobicContact CE3-CD1 3.75Å; W378-Y406 HydrophobicContact CE3-CE1 4.15Å; W378-Y406 HydrophobicContact CZ3-CD1 4.19Å; W378-Y406 HydrophobicContact CZ3-CE1 4.24Å; A381-Y406 HydrophobicContact CB-CD1 3.89Å; A381-Y406 HydrophobicContact CB-CD2 4.01Å; A381-Y406 HydrophobicContact CB-CE1 3.67Å; A381-Y406 HydrophobicContact CB-CE2 3.79Å; A381-Y406 HydrophobicContact CB-CG 4.07Å; A381-Y406 WeakPolarHBondContact O-CE2 3.41Å; A385-Y406 HydrophobicContact CB-CD2 4.03Å; A385-Y406 HydrophobicContact CB-CE2 3.92Å; M402-Y406 HydrophobicContact CB-CE2 3.98Å; M402-Y406 HydrophobicContact CE-CE1 4.09Å; M402-Y406 HydrophobicContact CE-CE2 4.1Å; M402-Y406 WeakPolarHBondContact CE-OH 3.19Å; M402-Y406 WeakPolarHBondContact O-CD2 3.42Å; M402-Y406 PolarHBondContact O-N 3.13Å; K403-Y406 PolarHBondContact O-N 3.48Å; A404-Y406 PolarHBondContact O-N 2.69Å; Y406-S408 PolarHBondContact O-N 3.41Å; Y406-M409 PolarHBondContact O-N 3.25Å; Y406-L410 PolarHBondContact O-N 3.3Å; Y406-P466 HydrophobicContact CD1-CB 3.92Å; Y406-P466 HydrophobicContact CD1-CG 4.32Å; Y406-P466 HydrophobicContact CE1-CB 3.68Å
407	L	96.1	Very high	92.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-37.8	172.6	-72.1	-175.7	0	0	0	111.6	Y382 K403 A404 M409 L410 C415 F418 E420 A422 L425	Y382-L407 HydrophobicContact CD2-CD1 4.47Å; Y382-L407 HydrophobicContact CD2-CD2 3.62Å; Y382-L407 HydrophobicContact CD2-CG 3.65Å; Y382-L407 HydrophobicContact CE2-CD1 3.82Å; Y382-L407 HydrophobicContact CE2-CD2 3.5Å; Y382-L407 VanDerWaalsContact CE2-CD2 3.5Å; Y382-L407 HydrophobicContact CE2-CG 3.49Å; Y382-L407 VanDerWaalsContact CE2-CG 3.49Å; Y382-L407 HydrophobicContact CG-CD2 4.41Å; K403-L407 PolarHBondContact O-N 2.87Å; K403-L407 VanDerWaalsContact O-N 3.13Å; A404-L407 PolarHBondContact O-N 2.91Å; L407-M409 PolarHBondContact O-N 3.02Å; L407-L410 HydrophobicContact CD2-CD1 3.99Å; L407-L410 PolarHBondContact O-N 2.94Å; L407-L410 VanDerWaalsContact O-N 3.12Å; L407-C415 PolarHBondContact O-SG 3.46Å; L407-F418 HydrophobicContact CD2-CB 4.18Å; L407-F418 HydrophobicContact CD2-CD2 3.91Å; L407-F418 HydrophobicContact CD2-CG 4.11Å; L407-E420 HydrophobicContact CD1-CB 4.33Å; L407-A422 HydrophobicContact CB-CB 3.93Å; L407-L425 HydrophobicContact CD1-CD1 3.71Å
408	S	95	Very high	92.4	Very high	45 Å²	45	41.1 Å²	41.1	32%	0.315	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.3	176.8	61.8	0	0	0	0	114.9	A404 A405 Y406	A404-S408 PolarHBondContact O-N 2.91Å; A405-S408 WeakPolarHBondContact CA-OG 3.04Å; A405-S408 PolarHBondContact O-N 2.85Å; A405-S408 PolarHBondContact O-OG 3.22Å; Y406-S408 PolarHBondContact O-N 3.41Å
409	M	94.9	Very high	91.7	Very high	40 Å²	40	44.5 Å²	44.5	20%	0.197	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.5	174.4	-58.4	-55.1	-64.2	0	0	113.1	W378 A405 Y406 L407 P466 T492	W378-M409 HydrophobicContact CB-CB 4.49Å; W378-M409 HydrophobicContact CD2-CB 3.77Å; W378-M409 HydrophobicContact CD2-CG 4.2Å; W378-M409 HydrophobicContact CE3-CB 4.31Å; W378-M409 HydrophobicContact CE3-CG 4.29Å; W378-M409 HydrophobicContact CG-CB 3.83Å; W378-M409 HydrophobicContact CH2-CE 4.47Å; W378-M409 HydrophobicContact CZ2-CE 3.99Å; W378-M409 HydrophobicContact CZ2-CG 4.43Å; W378-M409 HydrophobicContact CZ3-CG 4.43Å; A405-M409 WeakPolarHBondContact O-CG 3.42Å; A405-M409 PolarHBondContact O-N 3.41Å; Y406-M409 PolarHBondContact O-N 3.25Å; L407-M409 PolarHBondContact O-N 3.02Å; M409-P466 HydrophobicContact CG-CG 3.38Å; M409-P466 HydrophobicContact SD-CG 3.89Å; M409-T492 HydrophobicContact CE-CG2 3.35Å
410	L	93.2	Very high	91.3	Very high	24 Å²	24	47.2 Å²	47.2	13%	0.126	28%	0.276	C	S	.	.	S	Bend	trans	-90.6	159.4	179.1	-67.1	178.6	0	0	0	111	W378 K379 Y406 L407 D414 F418	W378-L410 HydrophobicContact CB-CD2 3.66Å; W378-L410 HydrophobicContact CB-CG 4.31Å; K379-L410 HydrophobicContact CG-CD1 4.41Å; K379-L410 HydrophobicContact CG-CD2 3.77Å; Y406-L410 PolarHBondContact O-N 3.3Å; L407-L410 HydrophobicContact CD2-CD1 3.99Å; L407-L410 PolarHBondContact O-N 2.94Å; L407-L410 VanDerWaalsContact O-N 3.12Å; L410-D414 HydrophobicContact CB-CB 4.06Å; L410-D414 HydrophobicContact CD1-CB 4.45Å; L410-D414 HydrophobicContact CD2-CB 4.36Å; L410-F418 HydrophobicContact CD1-CD2 4.03Å; L410-F418 HydrophobicContact CD1-CE2 3.5Å; L410-F418 HydrophobicContact CD1-CZ 4.3Å
411	T	89.1	Confident	91.1	Very high	81 Å²	81	49.4 Å²	49.4	50%	0.497	29%	0.291	S	S	.	.			trans	-69.8	158.2	168.1	62.3	0	0	0	0	110.5	D413 D414 C415	T411-D413 PolarHBondContact O-N 3.27Å; T411-D414 PolarHBondContact O-N 3.48Å; T411-D414 VanDerWaalsContact O-N 3.15Å; T411-D414 WeakPolarHBondContact OG1-CB 3.44Å; T411-D414 VanDerWaalsContact OG1-CG 3.24Å; T411-D414 PolarHBondContact OG1-N 3.45Å; T411-D414 PolarHBondContact OG1-OD2 2.98Å; T411-C415 PolarHBondContact O-N 3.3Å; T411-C415 PolarHBondContact O-SG 3.26Å
412	D	85.3	Confident	90.8	Very high	143 Å²	143	50.4 Å²	50.4	77%	0.765	30%	0.299	S	S	*	.	H	α-helix	trans	-56.8	-41	176.6	-70.3	-29.2	0	0	0	111.6	D414 C415 L416	D412-D414 PolarHBondContact O-N 3.05Å; D412-C415 WeakPolarHBondContact O-CB 3.4Å; D412-C415 PolarHBondContact O-N 3.5Å; D412-L416 PolarHBondContact O-N 2.89Å
413	D	86.1	Confident	90.7	Very high	127 Å²	127	53.2 Å²	53.2	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-62.5	-42.4	177.1	-73	-19.5	0	0	0	112.2	T411 C415 L416	T411-D413 PolarHBondContact O-N 3.27Å; D413-C415 VanDerWaalsContact C-N 3.33Å; D413-C415 PolarHBondContact O-N 3.13Å; D413-L416 WeakPolarHBondContact O-CB 3.33Å; D413-L416 PolarHBondContact O-N 2.95Å
414	D	87.4	Confident	90.6	Very high	48 Å²	48	56.4 Å²	56.4	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-36.4	177.8	-79.2	-23.8	0	0	0	111.8	K379 L410 T411 D412 L416 T417 F418	K379-D414 VanDerWaalsContact CE-OD1 3.26Å; K379-D414 WeakPolarHBondContact CE-OD1 3.4Å; K379-D414 WeakPolarHBondContact CE-OD2 3.42Å; K379-D414 IonicContact NZ-OD1 2.7Å; K379-D414 PolarHBondContact NZ-OD1 2.94Å; K379-D414 IonicContact NZ-OD2 3.04Å; K379-D414 PolarHBondContact NZ-OD2 3.32Å; L410-D414 HydrophobicContact CB-CB 4.06Å; L410-D414 HydrophobicContact CD1-CB 4.45Å; L410-D414 HydrophobicContact CD2-CB 4.36Å; T411-D414 PolarHBondContact O-N 3.48Å; T411-D414 VanDerWaalsContact O-N 3.15Å; T411-D414 WeakPolarHBondContact OG1-CB 3.44Å; T411-D414 VanDerWaalsContact OG1-CG 3.24Å; T411-D414 PolarHBondContact OG1-N 3.45Å; T411-D414 PolarHBondContact OG1-OD2 2.98Å; D412-D414 PolarHBondContact O-N 3.05Å; D414-L416 PolarHBondContact O-N 3.47Å; D414-T417 PolarHBondContact O-N 2.92Å; D414-T417 PolarHBondContact O-OG1 2.96Å; D414-F418 WeakPolarHBondContact O-CD2 3.33Å; D414-F418 WeakPolarHBondContact O-CE2 3.42Å
415	C	85.3	Confident	90.5	Very high	30 Å²	30	56.7 Å²	56.7	20%	0.203	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-32.3	178.1	-70.3	0	0	0	0	112.7	L407 T411 D412 D413 T417 F418	L407-C415 PolarHBondContact O-SG 3.46Å; T411-C415 PolarHBondContact O-N 3.3Å; T411-C415 PolarHBondContact O-SG 3.26Å; D412-C415 WeakPolarHBondContact O-CB 3.4Å; D412-C415 PolarHBondContact O-N 3.5Å; D413-C415 VanDerWaalsContact C-N 3.33Å; D413-C415 PolarHBondContact O-N 3.13Å; C415-T417 PolarHBondContact O-N 3.46Å; C415-T417 VanDerWaalsContact O-N 3.1Å; C415-F418 PolarHBondContact O-N 3.48Å; C415-F418 VanDerWaalsContact O-N 3.07Å
416	L	83.1	Confident	90.5	Very high	140 Å²	140	56.7 Å²	56.7	73%	0.733	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25	178.6	-64	174.8	0	0	0	112.8	D412 D413 D414 F418	D412-L416 PolarHBondContact O-N 2.89Å; D413-L416 WeakPolarHBondContact O-CB 3.33Å; D413-L416 PolarHBondContact O-N 2.95Å; D414-L416 PolarHBondContact O-N 3.47Å; L416-F418 VanDerWaalsContact C-N 3.28Å; L416-F418 PolarHBondContact O-N 3.48Å
417	T	85.3	Confident	90.5	Very high	100 Å²	100	61.4 Å²	61.4	61%	0.613	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.9	179.7	66.7	0	0	0	0	113.8	D414 C415	D414-T417 PolarHBondContact O-N 2.92Å; D414-T417 PolarHBondContact O-OG1 2.96Å; C415-T417 PolarHBondContact O-N 3.46Å; C415-T417 VanDerWaalsContact O-N 3.1Å
418	F	84.6	Confident	90.5	Very high	55 Å²	55	65.7 Å²	65.7	24%	0.241	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-18.1	-173.5	-62.1	-75.9	0	0	0	113.7	K379 Y382 L407 L410 D414 C415 L416 E420	K379-F418 HydrophobicContact CB-CZ 4.11Å; K379-F418 HydrophobicContact CG-CE2 4.34Å; K379-F418 HydrophobicContact CG-CZ 4.01Å; Y382-F418 AromaticContact CD1-CD1 3.47Å; Y382-F418 HydrophobicContact CD1-CD1 3.47Å; Y382-F418 VanDerWaalsContact CD1-CD1 3.47Å; Y382-F418 AromaticContact CD1-CE1 3.4Å; Y382-F418 HydrophobicContact CD1-CE1 3.4Å; Y382-F418 VanDerWaalsContact CD1-CE1 3.4Å; Y382-F418 HydrophobicContact CD1-CG 4.28Å; Y382-F418 HydrophobicContact CD1-CZ 4.2Å; Y382-F418 HydrophobicContact CE1-CB 4.27Å; Y382-F418 AromaticContact CE1-CD1 3.13Å; Y382-F418 HydrophobicContact CE1-CD1 3.13Å; Y382-F418 AromaticContact CE1-CE1 3.6Å; Y382-F418 HydrophobicContact CE1-CE1 3.6Å; Y382-F418 AromaticContact CE1-CG 3.88Å; Y382-F418 HydrophobicContact CE1-CG 3.88Å; Y382-F418 HydrophobicContact CG-CD1 4.39Å; Y382-F418 HydrophobicContact CG-CE1 4.28Å; Y382-F418 AromaticContact CZ-CD1 3.77Å; L407-F418 HydrophobicContact CD2-CB 4.18Å; L407-F418 HydrophobicContact CD2-CD2 3.91Å; L407-F418 HydrophobicContact CD2-CG 4.11Å; L410-F418 HydrophobicContact CD1-CD2 4.03Å; L410-F418 HydrophobicContact CD1-CE2 3.5Å; L410-F418 HydrophobicContact CD1-CZ 4.3Å; D414-F418 WeakPolarHBondContact O-CD2 3.33Å; D414-F418 WeakPolarHBondContact O-CE2 3.42Å; C415-F418 PolarHBondContact O-N 3.48Å; C415-F418 VanDerWaalsContact O-N 3.07Å; L416-F418 VanDerWaalsContact C-N 3.28Å; L416-F418 PolarHBondContact O-N 3.48Å; F418-E420 PolarHBondContact O-N 3.29Å
419	G	82	Confident	90.6	Very high	72 Å²	72	63.6 Å²	63.6	74%	0.742	36%	0.358	S	S	*	.	S	Bend	trans	69.2	13.2	175.7	0	0	0	0	0	115.1
420	E	87.8	Confident	90.6	Very high	72 Å²	72	63.7 Å²	63.7	34%	0.336	36%	0.362	S	S	.	.			trans	-131.5	157.2	176.5	-70	174.4	123.7	0	0	109.9	Y382 K403 L407 F418 L425	Y382-E420 PolarHBondContact OH-OE2 2.68Å; K403-E420 WeakPolarHBondContact CE-OE2 3.22Å; K403-E420 IonicContact NZ-OE1 3.24Å; K403-E420 PolarHBondContact NZ-OE1 3.49Å; K403-E420 IonicContact NZ-OE2 3.66Å; K403-E420 PolarHBondContact NZ-OE2 2.82Å; L407-E420 HydrophobicContact CD1-CB 4.33Å; F418-E420 PolarHBondContact O-N 3.29Å; E420-L425 HydrophobicContact CB-CD1 4.43Å
421	S	90.9	Very high	90.7	Very high	51 Å²	51	66 Å²	66	36%	0.357	39%	0.392	S	S	.	.			trans	-111.9	144.1	175.5	83.1	0	0	0	0	111.3	L423 T424 L425	S421-L423 PolarHBondContact O-N 3Å; S421-T424 PolarHBondContact O-N 3.2Å; S421-T424 WeakPolarHBondContact OG-CB 3.3Å; S421-T424 PolarHBondContact OG-N 3.21Å; S421-T424 PolarHBondContact OG-OG1 3.46Å; S421-L425 PolarHBondContact O-N 3.06Å; S421-L425 VanDerWaalsContact O-N 3.13Å
422	A	93.8	Very high	90.9	Very high	21 Å²	21	65 Å²	65	17%	0.174	38%	0.383	C	S	.	.	H	α-helix	trans	-54.8	-41.1	173.4	0	0	0	0	0	111.4	L407 T424 L425 F426	L407-A422 HydrophobicContact CB-CB 3.93Å; A422-T424 PolarHBondContact O-N 3.45Å; A422-L425 PolarHBondContact O-N 3.49Å; A422-F426 HydrophobicContact CB-CD2 4.34Å; A422-F426 HydrophobicContact CB-CE2 4.2Å; A422-F426 WeakPolarHBondContact O-CD2 3.31Å; A422-F426 PolarHBondContact O-N 3.29Å
423	L	94.6	Very high	91.2	Very high	59 Å²	59	63.3 Å²	63.3	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-57.2	-50.2	177.7	176.4	61.6	0	0	0	112.3	S421 L425 R427 Y454 P459	S421-L423 PolarHBondContact O-N 3Å; L423-L425 VanDerWaalsContact C-N 3.33Å; L423-L425 PolarHBondContact O-N 2.68Å; L423-R427 WeakPolarHBondContact O-CG 3.43Å; L423-R427 PolarHBondContact O-N 2.69Å; L423-R427 VanDerWaalsContact O-N 3.15Å; L423-Y454 HydrophobicContact CD1-CD1 3.78Å; L423-Y454 HydrophobicContact CD1-CG 4.46Å; L423-P459 HydrophobicContact CD1-CB 4.1Å; L423-P459 HydrophobicContact CD1-CG 3.67Å
424	T	94.6	Very high	91.2	Very high	73 Å²	73	58.8 Å²	58.8	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-44.4	179.7	-57.9	0	0	0	0	110.8	S421 A422 R427 Q428	S421-T424 PolarHBondContact O-N 3.2Å; S421-T424 WeakPolarHBondContact OG-CB 3.3Å; S421-T424 PolarHBondContact OG-N 3.21Å; S421-T424 PolarHBondContact OG-OG1 3.46Å; A422-T424 PolarHBondContact O-N 3.45Å; T424-R427 PolarHBondContact O-N 2.81Å; T424-Q428 WeakPolarHBondContact O-CG 3.16Å; T424-Q428 PolarHBondContact O-N 3.37Å
425	L	96.3	Very high	91	Very high	6 Å²	6	61 Å²	61	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-44.5	-179.2	-68.8	174	0	0	0	112.1	K403 A404 L407 E420 S421 A422 L423 R427 Q428 V429	K403-L425 HydrophobicContact CB-CD1 4.38Å; K403-L425 HydrophobicContact CD-CD1 3.97Å; K403-L425 HydrophobicContact CD-CD2 4.44Å; K403-L425 HydrophobicContact CG-CD1 3.86Å; A404-L425 HydrophobicContact CB-CB 3.62Å; A404-L425 HydrophobicContact CB-CD1 4.44Å; L407-L425 HydrophobicContact CD1-CD1 3.71Å; E420-L425 HydrophobicContact CB-CD1 4.43Å; S421-L425 PolarHBondContact O-N 3.06Å; S421-L425 VanDerWaalsContact O-N 3.13Å; A422-L425 PolarHBondContact O-N 3.49Å; L423-L425 VanDerWaalsContact C-N 3.33Å; L423-L425 PolarHBondContact O-N 2.68Å; L425-R427 VanDerWaalsContact C-N 3.27Å; L425-R427 PolarHBondContact O-N 3.4Å; L425-Q428 WeakPolarHBondContact O-CB 3.29Å; L425-Q428 PolarHBondContact O-N 3.33Å; L425-V429 PolarHBondContact O-N 3.44Å
426	F	97.6	Very high	90.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-40.3	175.6	-78.8	-55.7	0	0	0	111.9	F401 A404 A405 A422 Q428 V429 A451 Y454 L462 A465	F401-F426 AromaticContact CD2-CD1 3.89Å; F401-F426 HydrophobicContact CD2-CD1 3.89Å; F401-F426 AromaticContact CD2-CE1 3.68Å; F401-F426 HydrophobicContact CD2-CE1 3.68Å; F401-F426 HydrophobicContact CE2-CD1 4Å; F401-F426 AromaticContact CE2-CE1 3.55Å; F401-F426 HydrophobicContact CE2-CE1 3.55Å; F401-F426 HydrophobicContact CG-CE1 4.3Å; F401-F426 HydrophobicContact CZ-CE1 4.07Å; A404-F426 HydrophobicContact CB-CD1 3.63Å; A404-F426 HydrophobicContact CB-CD2 3.78Å; A404-F426 HydrophobicContact CB-CE1 3.59Å; A404-F426 HydrophobicContact CB-CE2 3.74Å; A404-F426 HydrophobicContact CB-CG 3.72Å; A404-F426 HydrophobicContact CB-CZ 3.65Å; A405-F426 HydrophobicContact CB-CZ 4.4Å; A422-F426 HydrophobicContact CB-CD2 4.34Å; A422-F426 HydrophobicContact CB-CE2 4.2Å; A422-F426 WeakPolarHBondContact O-CD2 3.31Å; A422-F426 PolarHBondContact O-N 3.29Å; F426-Q428 PolarHBondContact O-N 2.91Å; F426-V429 WeakPolarHBondContact O-CB 3.39Å; F426-V429 PolarHBondContact O-N 2.88Å; F426-A451 HydrophobicContact CD1-CB 4.47Å; F426-A451 WeakPolarHBondContact O-CB 3.27Å; F426-Y454 HydrophobicContact CB-CD1 4.2Å; F426-Y454 HydrophobicContact CB-CD2 3.61Å; F426-Y454 HydrophobicContact CB-CE2 4.06Å; F426-Y454 HydrophobicContact CB-CG 3.66Å; F426-Y454 HydrophobicContact CD1-CD2 4.31Å; F426-Y454 HydrophobicContact CD1-CE2 4.05Å; F426-Y454 HydrophobicContact CD2-CD1 4Å; F426-Y454 AromaticContact CD2-CD2 3.91Å; F426-Y454 HydrophobicContact CD2-CD2 3.91Å; F426-Y454 AromaticContact CD2-CE1 3.6Å; F426-Y454 HydrophobicContact CD2-CE1 3.6Å; F426-Y454 AromaticContact CD2-CE2 3.48Å; F426-Y454 HydrophobicContact CD2-CE2 3.48Å; F426-Y454 VanDerWaalsContact CD2-CE2 3.48Å; F426-Y454 HydrophobicContact CD2-CG 4.14Å; F426-Y454 AromaticContact CD2-CZ 3.29Å; F426-Y454 HydrophobicContact CE1-CE2 4.37Å; F426-Y454 HydrophobicContact CE2-CE1 4.09Å; F426-Y454 AromaticContact CE2-CE2 3.84Å; F426-Y454 HydrophobicContact CE2-CE2 3.84Å; F426-Y454 AromaticContact CE2-CZ 3.48Å; F426-Y454 VanDerWaalsContact CE2-CZ 3.48Å; F426-Y454 VanDerWaalsContact CE2-OH 3.25Å; F426-Y454 WeakPolarHBondContact CE2-OH 3.38Å; F426-Y454 HydrophobicContact CG-CD1 4.42Å; F426-Y454 AromaticContact CG-CD2 3.7Å; F426-Y454 HydrophobicContact CG-CD2 3.7Å; F426-Y454 HydrophobicContact CG-CE1 4.35Å; F426-Y454 AromaticContact CG-CE2 3.6Å; F426-Y454 HydrophobicContact CG-CE2 3.6Å; F426-Y454 HydrophobicContact CG-CG 4.1Å; F426-Y454 AromaticContact CG-CZ 3.94Å; F426-Y454 HydrophobicContact CZ-CE2 4.28Å; F426-L462 HydrophobicContact CE1-CD1 4.21Å; F426-L462 HydrophobicContact CZ-CD1 4.21Å; F426-A465 HydrophobicContact CZ-CB 4.39Å
427	R	97	Very high	89.5	Confident	99 Å²	99	56 Å²	56	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-22.5	176	-73.7	177	173.6	173.1	-1.7	113.7	L423 T424 L425 Y454 F455 G456	L423-R427 WeakPolarHBondContact O-CG 3.43Å; L423-R427 PolarHBondContact O-N 2.69Å; L423-R427 VanDerWaalsContact O-N 3.15Å; T424-R427 PolarHBondContact O-N 2.81Å; L425-R427 VanDerWaalsContact C-N 3.27Å; L425-R427 PolarHBondContact O-N 3.4Å; R427-Y454 PolarHBondContact NE-O 2.91Å; R427-Y454 PolarHBondContact NH2-O 3.09Å; R427-F455 HydrophobicContact CB-CE1 4.44Å; R427-F455 HydrophobicContact CB-CZ 4.35Å; R427-F455 WeakPolarHBondContact O-CZ 3.3Å; R427-G456 PolarHBondContact NH2-O 3.04Å; R427-G456 VanDerWaalsContact NH2-O 3.15Å
428	Q	96.4	Very high	88.9	Confident	94 Å²	94	52.6 Å²	52.6	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-81.6	-26.6	176.9	-68.8	172	5.8	0	0	113	T424 L425 F426 G431 L432	T424-Q428 WeakPolarHBondContact O-CG 3.16Å; T424-Q428 PolarHBondContact O-N 3.37Å; L425-Q428 WeakPolarHBondContact O-CB 3.29Å; L425-Q428 PolarHBondContact O-N 3.33Å; F426-Q428 PolarHBondContact O-N 2.91Å; Q428-G431 PolarHBondContact O-N 3.49Å; Q428-L432 HydrophobicContact CB-CD1 4.46Å; Q428-L432 PolarHBondContact O-N 3.36Å
429	V	96.9	Very high	88.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-48.8	-46.7	-173	173.1	0	0	0	0	113.6	A397 A400 F401 L425 F426 G431 L432 A447 I448 A451	A397-V429 HydrophobicContact CB-CG1 4.19Å; A400-V429 HydrophobicContact CB-CG2 4.27Å; F401-V429 HydrophobicContact CB-CG1 4.35Å; F401-V429 HydrophobicContact CB-CG2 3.94Å; F401-V429 HydrophobicContact CD2-CG2 4.42Å; L425-V429 PolarHBondContact O-N 3.44Å; F426-V429 WeakPolarHBondContact O-CB 3.39Å; F426-V429 PolarHBondContact O-N 2.88Å; V429-G431 VanDerWaalsContact C-N 3.29Å; V429-G431 PolarHBondContact O-N 3.14Å; V429-L432 PolarHBondContact O-N 3Å; V429-A447 HydrophobicContact CG1-CB 4.14Å; V429-I448 HydrophobicContact CG1-CG1 3.88Å; V429-A451 HydrophobicContact CB-CB 4.04Å; V429-A451 HydrophobicContact CG1-CB 4.25Å
430	P	95.5	Very high	88.7	Confident	42 Å²	42	54.4 Å²	54.4	27%	0.273	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.7	-31.3	179.2	-24.9	38	0	0	0	114.9	L432 I448 F455	P430-L432 VanDerWaalsContact C-N 3.28Å; P430-L432 PolarHBondContact O-N 3.42Å; P430-I448 HydrophobicContact CB-CG2 4.12Å; P430-I448 HydrophobicContact CG-CG2 4.15Å; P430-F455 HydrophobicContact CB-CZ 4.46Å; P430-F455 HydrophobicContact CG-CE2 3.65Å; P430-F455 HydrophobicContact CG-CZ 3.61Å
431	G	94.8	Very high	88.7	Confident	74 Å²	74	53 Å²	53	76%	0.763	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-76.3	-14.5	178.7	0	0	0	0	0	113.9	Q428 V429	Q428-G431 PolarHBondContact O-N 3.49Å; V429-G431 VanDerWaalsContact C-N 3.29Å; V429-G431 PolarHBondContact O-N 3.14Å
432	L	94.1	Very high	88.6	Confident	60 Å²	60	54.1 Å²	54.1	31%	0.314	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-96	2.7	-179.4	-63.1	172.9	0	0	0	113.3	K396 A397 A400 Q428 V429 P430 Q434	K396-L432 HydrophobicContact CB-CB 4.21Å; A397-L432 HydrophobicContact CB-CB 4.02Å; A400-L432 HydrophobicContact CB-CD1 3.39Å; Q428-L432 HydrophobicContact CB-CD1 4.46Å; Q428-L432 PolarHBondContact O-N 3.36Å; V429-L432 PolarHBondContact O-N 3Å; P430-L432 VanDerWaalsContact C-N 3.28Å; P430-L432 PolarHBondContact O-N 3.42Å; L432-Q434 PolarHBondContact O-N 3.35Å
433	K	90.9	Very high	88.6	Confident	107 Å²	107	54.1 Å²	54.1	47%	0.465	30%	0.299	S	S	.	.			trans	-61.3	130.4	-178.1	-171.9	-176.6	72.6	-167	0	110.9	S440 I448	K433-S440 VanDerWaalsContact CD-OG 3.32Å; K433-S440 WeakPolarHBondContact CD-OG 3.47Å; K433-S440 WeakPolarHBondContact CG-OG 3.49Å; K433-I448 HydrophobicContact CB-CD1 3.54Å; K433-I448 HydrophobicContact CD-CD1 3.56Å; K433-I448 HydrophobicContact CG-CD1 3.5Å
434	Q	86.9	Confident	88.6	Confident	32 Å²	32	51.3 Å²	51.3	15%	0.15	29%	0.285	C	S	.	.			trans	-111.5	174.5	170.7	74.6	-163.6	-69.2	0	0	111.9	S393 W394 L432 S440 E444	S393-Q434 PolarHBondContact O-NE2 2.94Å; S393-Q434 PolarHBondContact O-OE1 2.96Å; S393-Q434 VanDerWaalsContact O-OE1 3.09Å; W394-Q434 VanDerWaalsContact O-CD 3.25Å; W394-Q434 PolarHBondContact O-NE2 3.07Å; W394-Q434 PolarHBondContact O-OE1 3.49Å; L432-Q434 PolarHBondContact O-N 3.35Å; Q434-S440 VanDerWaalsContact O-CA 3.26Å; Q434-S440 WeakPolarHBondContact O-CA 3.14Å; Q434-S440 WeakPolarHBondContact O-CB 3.44Å; Q434-S440 PolarHBondContact O-OG 3.49Å; Q434-E444 PolarHBondContact N-OE2 2.91Å; Q434-E444 PolarHBondContact NE2-OE1 2.88Å
435	K	81.8	Confident	88.6	Confident	94 Å²	94	52.1 Å²	52.1	41%	0.409	28%	0.282	S	S	.	.			trans	-133.4	144.5	175.4	-69.4	172.6	179.8	178.5	0	109.2	E188 K439 S440	E188-K435 WeakPolarHBondContact OE1-CB 3.43Å; E188-K435 WeakPolarHBondContact OE2-CD 3.15Å; E188-K435 IonicContact OE2-NZ 3.29Å; E188-K435 PolarHBondContact OE2-NZ 2.93Å; K435-K439 WeakPolarHBondContact CA-O 3.48Å; K435-S440 WeakPolarHBondContact CG-OG 3.42Å
436	I	71.8	Confident	88.5	Confident	32 Å²	32	51.9 Å²	51.9	16%	0.164	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-128.1	127.1	174.9	-55.6	-172.9	0	0	0	106.1	F129 L185 W394 G438 K439 L441	F129-I436 HydrophobicContact CE2-CD1 4.08Å; F129-I436 HydrophobicContact CE2-CG1 4.33Å; F129-I436 HydrophobicContact CZ-CD1 4.04Å; F129-I436 HydrophobicContact CZ-CG1 3.88Å; L185-I436 HydrophobicContact CD2-CG2 3.54Å; W394-I436 HydrophobicContact CE3-CD1 4.06Å; W394-I436 HydrophobicContact CZ3-CD1 3.72Å; I436-G438 PolarHBondContact O-N 3.37Å; I436-K439 PolarHBondContact N-O 2.86Å; I436-K439 PolarHBondContact O-N 3.1Å; I436-L441 HydrophobicContact CD1-CD1 4.3Å; I436-L441 HydrophobicContact CD1-CD2 3.88Å; I436-L441 HydrophobicContact CD1-CG 4.12Å
437	A	66.4	Low	88.5	Confident	33 Å²	33	51.9 Å²	51.9	27%	0.273	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.8	-172	0	0	0	0	0	113	F184 K439	F184-A437 HydrophobicContact CB-CB 4.11Å; F184-A437 VanDerWaalsContact O-CA 3.29Å; F184-A437 WeakPolarHBondContact O-CA 3.39Å; F184-A437 PolarHBondContact O-N 3.01Å; A437-K439 PolarHBondContact O-N 3.49Å; A437-K439 VanDerWaalsContact O-N 3.15Å
438	G	72.3	Confident	88.5	Confident	29 Å²	29	47.9 Å²	47.9	30%	0.299	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	3	-178.2	0	0	0	0	0	115.5	I436	I436-G438 PolarHBondContact O-N 3.37Å
439	K	80.4	Confident	88.5	Confident	153 Å²	153	47.4 Å²	47.4	67%	0.665	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-119	131.7	178.9	-66.9	-175.2	180	177.9	0	111.3	K435 I436 A437	K435-K439 WeakPolarHBondContact CA-O 3.48Å; I436-K439 PolarHBondContact N-O 2.86Å; I436-K439 PolarHBondContact O-N 3.1Å; A437-K439 PolarHBondContact O-N 3.49Å; A437-K439 VanDerWaalsContact O-N 3.15Å
440	S	82.4	Confident	88.5	Confident	11 Å²	11	47.7 Å²	47.7	8%	0.077	26%	0.262	C	S	.	.			trans	-68.5	144.7	169.4	-55.4	0	0	0	0	111.5	K433 Q434 K435 K445	K433-S440 VanDerWaalsContact CD-OG 3.32Å; K433-S440 WeakPolarHBondContact CD-OG 3.47Å; K433-S440 WeakPolarHBondContact CG-OG 3.49Å; Q434-S440 VanDerWaalsContact O-CA 3.26Å; Q434-S440 WeakPolarHBondContact O-CA 3.14Å; Q434-S440 WeakPolarHBondContact O-CB 3.44Å; Q434-S440 PolarHBondContact O-OG 3.49Å; K435-S440 WeakPolarHBondContact CG-OG 3.42Å; S440-K445 WeakPolarHBondContact O-CE 3.48Å
441	L	86.9	Confident	88.5	Confident	42 Å²	42	45.7 Å²	45.7	22%	0.22	25%	0.249	C	C	.	.			trans	-52.2	134.4	175.2	-71.1	169.3	0	0	0	110.3	W394 I436 T443 E444 K445	W394-L441 WeakPolarHBondContact O-CD1 3.27Å; I436-L441 HydrophobicContact CD1-CD1 4.3Å; I436-L441 HydrophobicContact CD1-CD2 3.88Å; I436-L441 HydrophobicContact CD1-CG 4.12Å; L441-T443 PolarHBondContact O-N 3.35Å; L441-E444 HydrophobicContact CB-CB 4.21Å; L441-E444 HydrophobicContact CB-CG 3.95Å; L441-E444 HydrophobicContact CD1-CG 4.27Å; L441-E444 PolarHBondContact O-N 3.22Å; L441-E444 VanDerWaalsContact O-N 3.13Å; L441-K445 PolarHBondContact O-N 3.31Å
442	P	89.6	Confident	88.6	Confident	76 Å²	76	49.9 Å²	49.9	49%	0.494	24%	0.242	S	C	.	.	H	α-helix	trans	-55.4	-39.1	-179.4	-28.3	35.8	0	0	0	113.4	K445 F446 M590	P442-K445 PolarHBondContact O-N 3.32Å; P442-F446 PolarHBondContact O-N 3.21Å; P442-M590 VanDerWaalsContact C-SD 3.53Å; P442-M590 HydrophobicContact CB-CE 4.15Å; P442-M590 HydrophobicContact CB-SD 3.63Å
443	T	92.6	Very high	88.6	Confident	20 Å²	20	47.9 Å²	47.9	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-38.4	178	48.8	0	0	0	0	112.4	L441 F446 A447 W473 M590	L441-T443 PolarHBondContact O-N 3.35Å; T443-F446 WeakPolarHBondContact O-CB 3.35Å; T443-F446 PolarHBondContact O-N 2.91Å; T443-A447 WeakPolarHBondContact O-CB 3.33Å; T443-A447 PolarHBondContact O-N 3.18Å; T443-W473 HydrophobicContact CG2-CH2 4.45Å; T443-W473 HydrophobicContact CG2-CZ2 3.76Å; T443-M590 HydrophobicContact CG2-CE 3.94Å; T443-M590 HydrophobicContact CG2-SD 4.5Å
444	E	94.4	Very high	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-43	172.2	-67.3	-168.3	170.2	0	0	111.1	S395 A397 Q434 L441 F446 A447 I448	S395-E444 VanDerWaalsContact CA-OE1 3.27Å; S395-E444 WeakPolarHBondContact CA-OE1 3.41Å; S395-E444 WeakPolarHBondContact OG-CG 3.29Å; S395-E444 PolarHBondContact OG-OE1 2.99Å; A397-E444 HydrophobicContact CB-CB 4.16Å; A397-E444 HydrophobicContact CB-CG 3.87Å; Q434-E444 PolarHBondContact N-OE2 2.91Å; Q434-E444 PolarHBondContact NE2-OE1 2.88Å; L441-E444 HydrophobicContact CB-CB 4.21Å; L441-E444 HydrophobicContact CB-CG 3.95Å; L441-E444 HydrophobicContact CD1-CG 4.27Å; L441-E444 PolarHBondContact O-N 3.22Å; L441-E444 VanDerWaalsContact O-N 3.13Å; E444-F446 PolarHBondContact O-N 3.24Å; E444-A447 PolarHBondContact O-N 3.45Å; E444-I448 WeakPolarHBondContact O-CB 3.31Å; E444-I448 WeakPolarHBondContact O-CD1 3.33Å; E444-I448 WeakPolarHBondContact O-CG1 3.48Å; E444-I448 PolarHBondContact O-N 2.95Å
445	K	94.5	Very high	89.2	Confident	91 Å²	91	47.1 Å²	47.1	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-33.1	175	-68.4	-178.2	-179.5	179.4	0	112.4	S440 L441 P442 R449	S440-K445 WeakPolarHBondContact O-CE 3.48Å; L441-K445 PolarHBondContact O-N 3.31Å; P442-K445 PolarHBondContact O-N 3.32Å; K445-R449 WeakPolarHBondContact O-CG 3.48Å; K445-R449 PolarHBondContact O-N 3.05Å; K445-R449 PolarHBondContact O-NE 3.16Å; K445-R449 VanDerWaalsContact O-NE 3.13Å
446	F	96.2	Very high	89.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-56.5	173	-177.6	-89.6	0	0	0	110.5	P442 T443 E444 I448 R449 K450 E468 M469 I472 Y552 M590	P442-F446 PolarHBondContact O-N 3.21Å; T443-F446 WeakPolarHBondContact O-CB 3.35Å; T443-F446 PolarHBondContact O-N 2.91Å; E444-F446 PolarHBondContact O-N 3.24Å; F446-I448 VanDerWaalsContact C-N 3.3Å; F446-I448 PolarHBondContact O-N 3.14Å; F446-R449 WeakPolarHBondContact O-CB 3.48Å; F446-R449 PolarHBondContact O-N 2.74Å; F446-K450 HydrophobicContact CD1-CG 4.09Å; F446-K450 HydrophobicContact CE1-CD 4.31Å; F446-K450 HydrophobicContact CE1-CG 3.72Å; F446-K450 HydrophobicContact CZ-CD 4.11Å; F446-K450 HydrophobicContact CZ-CG 4.03Å; F446-K450 PolarHBondContact O-N 3.47Å; F446-E468 HydrophobicContact CE1-CG 4.26Å; F446-E468 HydrophobicContact CZ-CG 3.93Å; F446-E468 WeakPolarHBondContact CZ-OE1 3.18Å; F446-M469 HydrophobicContact CD1-SD 3.71Å; F446-M469 HydrophobicContact CE1-SD 3.83Å; F446-I472 HydrophobicContact CE1-CG1 4.39Å; F446-I472 HydrophobicContact CE2-CD1 4.35Å; F446-I472 HydrophobicContact CZ-CD1 4.45Å; F446-I472 HydrophobicContact CZ-CG1 4.34Å; F446-Y552 HydrophobicContact CE2-CD1 4.02Å; F446-Y552 AromaticContact CE2-CE1 3.62Å; F446-Y552 HydrophobicContact CE2-CE1 3.62Å; F446-Y552 HydrophobicContact CE2-CE2 4.47Å; F446-Y552 AromaticContact CE2-CZ 3.9Å; F446-Y552 HydrophobicContact CZ-CE1 4.06Å; F446-M590 HydrophobicContact CB-CG 4.27Å; F446-M590 HydrophobicContact CB-SD 4.23Å; F446-M590 HydrophobicContact CD2-CG 3.88Å; F446-M590 HydrophobicContact CG-CG 4.31Å
447	A	96.9	Very high	90.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-53.4	-44.8	178.8	0	0	0	0	0	112.7	F401 V429 T443 E444 R449 K450 A451	F401-A447 HydrophobicContact CB-CB 3.75Å; F401-A447 HydrophobicContact CD1-CB 4.24Å; F401-A447 HydrophobicContact CD2-CB 3.69Å; F401-A447 HydrophobicContact CE2-CB 4.37Å; F401-A447 HydrophobicContact CG-CB 3.61Å; V429-A447 HydrophobicContact CG1-CB 4.14Å; T443-A447 WeakPolarHBondContact O-CB 3.33Å; T443-A447 PolarHBondContact O-N 3.18Å; E444-A447 PolarHBondContact O-N 3.45Å; A447-R449 PolarHBondContact O-N 3.09Å; A447-K450 PolarHBondContact O-N 3.24Å; A447-A451 VanDerWaalsContact O-CB 3.3Å; A447-A451 WeakPolarHBondContact O-CB 3.4Å; A447-A451 PolarHBondContact O-N 3.43Å
448	I	96.4	Very high	91.6	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-43.2	177.6	-69	168.7	0	0	0	111.4	V429 P430 K433 E444 F446 A451 R452	V429-I448 HydrophobicContact CG1-CG1 3.88Å; P430-I448 HydrophobicContact CB-CG2 4.12Å; P430-I448 HydrophobicContact CG-CG2 4.15Å; K433-I448 HydrophobicContact CB-CD1 3.54Å; K433-I448 HydrophobicContact CD-CD1 3.56Å; K433-I448 HydrophobicContact CG-CD1 3.5Å; E444-I448 WeakPolarHBondContact O-CB 3.31Å; E444-I448 WeakPolarHBondContact O-CD1 3.33Å; E444-I448 WeakPolarHBondContact O-CG1 3.48Å; E444-I448 PolarHBondContact O-N 2.95Å; F446-I448 VanDerWaalsContact C-N 3.3Å; F446-I448 PolarHBondContact O-N 3.14Å; I448-A451 PolarHBondContact O-N 2.93Å; I448-R452 WeakPolarHBondContact O-CG 3.34Å; I448-R452 PolarHBondContact O-N 2.92Å
449	R	96.2	Very high	92.5	Very high	83 Å²	83	57.2 Å²	57.2	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-46	177.5	-84.7	-177	-78	-166.9	-4.2	111.2	K445 F446 A447 A451 R452 S589	K445-R449 WeakPolarHBondContact O-CG 3.48Å; K445-R449 PolarHBondContact O-N 3.05Å; K445-R449 PolarHBondContact O-NE 3.16Å; K445-R449 VanDerWaalsContact O-NE 3.13Å; F446-R449 WeakPolarHBondContact O-CB 3.48Å; F446-R449 PolarHBondContact O-N 2.74Å; A447-R449 PolarHBondContact O-N 3.09Å; R449-A451 VanDerWaalsContact C-N 3.31Å; R449-A451 PolarHBondContact O-N 2.85Å; R449-R452 WeakPolarHBondContact O-CB 2.96Å; R449-R452 PolarHBondContact O-N 3.26Å; R449-S589 VanDerWaalsContact CZ-CB 3.45Å; R449-S589 PolarHBondContact NE-OG 3.45Å; R449-S589 PolarHBondContact NH1-OG 2.95Å; R449-S589 VanDerWaalsContact NH2-CA 3.28Å; R449-S589 VanDerWaalsContact NH2-CB 3.34Å; R449-S589 PolarHBondContact NH2-OG 2.75Å
450	K	96.9	Very high	93.1	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-38.4	176.7	-62	-58.2	-56.2	-156.3	0	112	F401 F446 A447 R452 L462 E468 D550	F401-K450 HydrophobicContact CE2-CB 3.74Å; F401-K450 HydrophobicContact CZ-CB 3.99Å; F446-K450 HydrophobicContact CD1-CG 4.09Å; F446-K450 HydrophobicContact CE1-CD 4.31Å; F446-K450 HydrophobicContact CE1-CG 3.72Å; F446-K450 HydrophobicContact CZ-CD 4.11Å; F446-K450 HydrophobicContact CZ-CG 4.03Å; F446-K450 PolarHBondContact O-N 3.47Å; A447-K450 PolarHBondContact O-N 3.24Å; K450-R452 VanDerWaalsContact C-N 3.27Å; K450-R452 PolarHBondContact O-N 3.28Å; K450-L462 HydrophobicContact CB-CD1 4.16Å; K450-E468 VanDerWaalsContact CE-OE1 3.26Å; K450-E468 WeakPolarHBondContact CE-OE1 3.33Å; K450-E468 WeakPolarHBondContact CE-OE2 3.36Å; K450-E468 IonicContact NZ-OE1 3.6Å; K450-E468 PolarHBondContact NZ-OE1 2.83Å; K450-E468 IonicContact NZ-OE2 2.67Å; K450-E468 PolarHBondContact NZ-OE2 3.46Å; K450-D550 IonicContact NZ-OD1 2.77Å; K450-D550 IonicContact NZ-OD2 3.42Å; K450-D550 PolarHBondContact NZ-OD2 3.35Å
451	A	96.8	Very high	93.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-17.6	179.6	0	0	0	0	0	114.5	F426 V429 A447 I448 R449 R453 Y454	F426-A451 HydrophobicContact CD1-CB 4.47Å; F426-A451 WeakPolarHBondContact O-CB 3.27Å; V429-A451 HydrophobicContact CB-CB 4.04Å; V429-A451 HydrophobicContact CG1-CB 4.25Å; A447-A451 VanDerWaalsContact O-CB 3.3Å; A447-A451 WeakPolarHBondContact O-CB 3.4Å; A447-A451 PolarHBondContact O-N 3.43Å; I448-A451 PolarHBondContact O-N 2.93Å; R449-A451 VanDerWaalsContact C-N 3.31Å; R449-A451 PolarHBondContact O-N 2.85Å; A451-R453 VanDerWaalsContact C-N 3.26Å; A451-R453 PolarHBondContact O-N 3.43Å; A451-Y454 WeakPolarHBondContact O-CB 3.14Å; A451-Y454 PolarHBondContact O-N 2.98Å; A451-Y454 VanDerWaalsContact O-N 3.08Å
452	R	95	Very high	94.1	Very high	162 Å²	162	53.5 Å²	53.5	61%	0.611	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.7	-35	-177.9	-76.5	170.9	-177	-178.5	-4.4	113.7	I448 R449 K450 Y454 F455	I448-R452 WeakPolarHBondContact O-CG 3.34Å; I448-R452 PolarHBondContact O-N 2.92Å; R449-R452 WeakPolarHBondContact O-CB 2.96Å; R449-R452 PolarHBondContact O-N 3.26Å; K450-R452 VanDerWaalsContact C-N 3.27Å; K450-R452 PolarHBondContact O-N 3.28Å; R452-Y454 PolarHBondContact O-N 2.83Å; R452-Y454 VanDerWaalsContact O-N 3.08Å; R452-F455 WeakPolarHBondContact O-CD2 3.31Å; R452-F455 PolarHBondContact O-N 3.46Å; R452-F455 VanDerWaalsContact O-N 3.13Å
453	R	94.7	Very high	94.4	Very high	18 Å²	18	51.1 Å²	51.1	7%	0.068	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.8	-12.6	180	71.8	-167.3	-66.3	179.3	-5.4	113.8	A451 V460 P461 Y508 D512	A451-R453 VanDerWaalsContact C-N 3.26Å; A451-R453 PolarHBondContact O-N 3.43Å; R453-V460 WeakPolarHBondContact CD-O 3.43Å; R453-V460 WeakPolarHBondContact CG-O 3.39Å; R453-V460 PolarHBondContact NE-O 3.42Å; R453-P461 PolarHBondContact NH2-O 3.5Å; R453-Y508 HydrophobicContact CB-CE1 4.08Å; R453-Y508 HydrophobicContact CB-CE2 4.14Å; R453-Y508 VanDerWaalsContact CZ-CG 3.47Å; R453-Y508 VanDerWaalsContact NH2-CG 3.31Å; R453-D512 IonicContact CZ-OD1 3.75Å; R453-D512 IonicContact CZ-OD2 2.81Å; R453-D512 IonicContact NH1-OD1 2.74Å; R453-D512 PolarHBondContact NH1-OD1 3.15Å; R453-D512 IonicContact NH1-OD2 2.86Å; R453-D512 PolarHBondContact NH1-OD2 2.9Å; R453-D512 VanDerWaalsContact NH1-OD2 3.16Å; R453-D512 IonicContact NH2-OD1 2.96Å; R453-D512 IonicContact NH2-OD2 3.87Å; R453-D512 PolarHBondContact NH2-OD2 3.39Å
454	Y	96.4	Very high	94.5	Very high	11 Å²	11	50.2 Å²	50.2	4%	0.043	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-86	-6.8	176.9	-68.5	-86	0	0	0	114.2	L423 F426 R427 A451 R452 P459 L462	L423-Y454 HydrophobicContact CD1-CD1 3.78Å; L423-Y454 HydrophobicContact CD1-CG 4.46Å; F426-Y454 HydrophobicContact CB-CD1 4.2Å; F426-Y454 HydrophobicContact CB-CD2 3.61Å; F426-Y454 HydrophobicContact CB-CE2 4.06Å; F426-Y454 HydrophobicContact CB-CG 3.66Å; F426-Y454 HydrophobicContact CD1-CD2 4.31Å; F426-Y454 HydrophobicContact CD1-CE2 4.05Å; F426-Y454 HydrophobicContact CD2-CD1 4Å; F426-Y454 AromaticContact CD2-CD2 3.91Å; F426-Y454 HydrophobicContact CD2-CD2 3.91Å; F426-Y454 AromaticContact CD2-CE1 3.6Å; F426-Y454 HydrophobicContact CD2-CE1 3.6Å; F426-Y454 AromaticContact CD2-CE2 3.48Å; F426-Y454 HydrophobicContact CD2-CE2 3.48Å; F426-Y454 VanDerWaalsContact CD2-CE2 3.48Å; F426-Y454 HydrophobicContact CD2-CG 4.14Å; F426-Y454 AromaticContact CD2-CZ 3.29Å; F426-Y454 HydrophobicContact CE1-CE2 4.37Å; F426-Y454 HydrophobicContact CE2-CE1 4.09Å; F426-Y454 AromaticContact CE2-CE2 3.84Å; F426-Y454 HydrophobicContact CE2-CE2 3.84Å; F426-Y454 AromaticContact CE2-CZ 3.48Å; F426-Y454 VanDerWaalsContact CE2-CZ 3.48Å; F426-Y454 VanDerWaalsContact CE2-OH 3.25Å; F426-Y454 WeakPolarHBondContact CE2-OH 3.38Å; F426-Y454 HydrophobicContact CG-CD1 4.42Å; F426-Y454 AromaticContact CG-CD2 3.7Å; F426-Y454 HydrophobicContact CG-CD2 3.7Å; F426-Y454 HydrophobicContact CG-CE1 4.35Å; F426-Y454 AromaticContact CG-CE2 3.6Å; F426-Y454 HydrophobicContact CG-CE2 3.6Å; F426-Y454 HydrophobicContact CG-CG 4.1Å; F426-Y454 AromaticContact CG-CZ 3.94Å; F426-Y454 HydrophobicContact CZ-CE2 4.28Å; R427-Y454 PolarHBondContact NE-O 2.91Å; R427-Y454 PolarHBondContact NH2-O 3.09Å; A451-Y454 WeakPolarHBondContact O-CB 3.14Å; A451-Y454 PolarHBondContact O-N 2.98Å; A451-Y454 VanDerWaalsContact O-N 3.08Å; R452-Y454 PolarHBondContact O-N 2.83Å; R452-Y454 VanDerWaalsContact O-N 3.08Å; Y454-P459 HydrophobicContact CD1-CB 4Å; Y454-L462 HydrophobicContact CE2-CD1 3.96Å; Y454-L462 HydrophobicContact CE2-CG 3.98Å; Y454-L462 PolarHBondContact OH-N 2.9Å
455	F	94.8	Very high	94.7	Very high	112 Å²	112	50.2 Å²	50.2	49%	0.491	25%	0.25	S	C	.	.	S	Bend	trans	-84.4	-12.7	-179.7	-73.5	-94.9	0	0	0	114	R427 P430 R452	R427-F455 HydrophobicContact CB-CE1 4.44Å; R427-F455 HydrophobicContact CB-CZ 4.35Å; R427-F455 WeakPolarHBondContact O-CZ 3.3Å; P430-F455 HydrophobicContact CB-CZ 4.46Å; P430-F455 HydrophobicContact CG-CE2 3.65Å; P430-F455 HydrophobicContact CG-CZ 3.61Å; R452-F455 WeakPolarHBondContact O-CD2 3.31Å; R452-F455 PolarHBondContact O-N 3.46Å; R452-F455 VanDerWaalsContact O-N 3.13Å
456	G	90	Very high	94.8	Very high	36 Å²	36	45.9 Å²	45.9	37%	0.371	23%	0.231	S	C	.	.	S	Bend	trans	-68.5	163.6	173.4	0	0	0	0	0	113	R427 N458	R427-G456 PolarHBondContact NH2-O 3.04Å; R427-G456 VanDerWaalsContact NH2-O 3.15Å; G456-N458 VanDerWaalsContact C-N 3.34Å
457	E	88.9	Confident	94.9	Very high	185 Å²	185	45.9 Å²	45.9	86%	0.864	23%	0.231	S	C	*	.	S	Bend	trans	-61.1	-43.2	175.4	-66	-174.5	164.5	0	0	111.7	P459	E457-P459 VanDerWaalsContact O-CD 3.28Å; E457-P459 WeakPolarHBondContact O-CD 3.37Å
458	N	90.3	Very high	95	Very high	141 Å²	141	45.9 Å²	45.9	75%	0.754	23%	0.231	S	C	*	.	S	Bend	trans	-114.2	83	176.2	-63.1	-60.8	0	0	0	109.2	G456 V460	G456-N458 VanDerWaalsContact C-N 3.34Å; N458-V460 PolarHBondContact O-N 2.93Å
459	P	92.9	Very high	95	Very high	38 Å²	38	45.1 Å²	45.1	25%	0.247	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-67.9	133	-175	29	-35.8	0	0	0	110.9	L423 Y454 E457 P461	L423-P459 HydrophobicContact CD1-CB 4.1Å; L423-P459 HydrophobicContact CD1-CG 3.67Å; Y454-P459 HydrophobicContact CD1-CB 4Å; E457-P459 VanDerWaalsContact O-CD 3.28Å; E457-P459 WeakPolarHBondContact O-CD 3.37Å; P459-P461 WeakPolarHBondContact O-CD 3.35Å
460	V	93	Very high	95.1	Very high	35 Å²	35	41.2 Å²	41.2	21%	0.212	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-88.6	119.7	174.8	-170.4	0	0	0	0	108.6	R453 N458 T506 Y508	R453-V460 WeakPolarHBondContact CD-O 3.43Å; R453-V460 WeakPolarHBondContact CG-O 3.39Å; R453-V460 PolarHBondContact NE-O 3.42Å; N458-V460 PolarHBondContact O-N 2.93Å; V460-T506 HydrophobicContact CG1-CG2 4.07Å; V460-T506 HydrophobicContact CG2-CG2 3.94Å; V460-Y508 HydrophobicContact CB-CD2 3.98Å; V460-Y508 HydrophobicContact CB-CE2 4.33Å; V460-Y508 HydrophobicContact CG1-CD2 4.35Å; V460-Y508 HydrophobicContact CG2-CD2 3.98Å; V460-Y508 HydrophobicContact CG2-CE2 4.14Å
461	P	93.5	Very high	95	Very high	86 Å²	86	41.1 Å²	41.1	56%	0.558	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-62.9	154.3	-179.1	-22.8	34.2	0	0	0	113.2	R453 P459	R453-P461 PolarHBondContact NH2-O 3.5Å; P459-P461 WeakPolarHBondContact O-CD 3.35Å
462	L	96.3	Very high	94.9	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-77.2	134.1	168.2	-69	167.7	0	0	0	109.2	F401 F426 K450 Y454 A464 A465	F401-L462 HydrophobicContact CE2-CD1 4.16Å; F401-L462 HydrophobicContact CZ-CD1 4.01Å; F426-L462 HydrophobicContact CE1-CD1 4.21Å; F426-L462 HydrophobicContact CZ-CD1 4.21Å; K450-L462 HydrophobicContact CB-CD1 4.16Å; Y454-L462 HydrophobicContact CE2-CD1 3.96Å; Y454-L462 HydrophobicContact CE2-CG 3.98Å; Y454-L462 PolarHBondContact OH-N 2.9Å; L462-A464 PolarHBondContact O-N 3.17Å; L462-A465 HydrophobicContact CB-CB 3.93Å; L462-A465 HydrophobicContact CD1-CB 3.87Å
463	P	95.3	Very high	94.7	Very high	26 Å²	26	36.1 Å²	36.1	17%	0.169	19%	0.193	C	C	.	.	S	Bend	trans	-71.2	-33.5	-172.3	27.5	-36.3	0	0	0	113.7	A496 D512 L515 L516	P463-A496 HydrophobicContact CB-CB 4.49Å; P463-A496 WeakPolarHBondContact O-CB 3.45Å; P463-D512 WeakPolarHBondContact CD-OD1 3.47Å; P463-D512 HydrophobicContact CG-CB 4.03Å; P463-L515 HydrophobicContact CG-CD2 4.28Å; P463-L516 HydrophobicContact CB-CD1 4.15Å; P463-L516 HydrophobicContact CB-CD2 4.25Å; P463-L516 HydrophobicContact CB-CG 4.36Å; P463-L516 HydrophobicContact CG-CD2 4.45Å; P463-L516 HydrophobicContact CG-CG 4.38Å
464	A	95.7	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-153.9	53	-176	0	0	0	0	0	111.8	L462 P466 L467 E468 L493 L516	L462-A464 PolarHBondContact O-N 3.17Å; A464-P466 VanDerWaalsContact C-CD 3.48Å; A464-L467 HydrophobicContact CB-CB 4.1Å; A464-L467 HydrophobicContact CB-CD1 4.24Å; A464-L467 HydrophobicContact CB-CG 4.38Å; A464-L467 PolarHBondContact O-N 3.39Å; A464-E468 PolarHBondContact O-N 3.45Å; A464-L493 HydrophobicContact CB-CD2 4.02Å; A464-L516 HydrophobicContact CB-CD2 4.11Å
465	A	97.1	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-50.2	-45.7	-172.2	0	0	0	0	0	115.8	F401 A405 F426 L462 L467 E468 M469	F401-A465 HydrophobicContact CZ-CB 4.42Å; A405-A465 HydrophobicContact CB-CB 3.62Å; F426-A465 HydrophobicContact CZ-CB 4.39Å; L462-A465 HydrophobicContact CB-CB 3.93Å; L462-A465 HydrophobicContact CD1-CB 3.87Å; A465-L467 VanDerWaalsContact C-N 3.32Å; A465-L467 PolarHBondContact O-N 3.02Å; A465-E468 PolarHBondContact O-N 3.03Å; A465-M469 PolarHBondContact O-N 3.41Å; A465-M469 VanDerWaalsContact O-N 3.16Å
466	P	97.9	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.3	-29.4	179.1	25.6	-28.7	0	0	0	112.3	W378 M402 A405 Y406 M409 A464 M469 M470	W378-P466 HydrophobicContact CH2-CG 4.31Å; W378-P466 HydrophobicContact CZ3-CB 4.17Å; W378-P466 HydrophobicContact CZ3-CG 3.89Å; M402-P466 HydrophobicContact CE-CB 4.42Å; A405-P466 HydrophobicContact CB-CB 4.28Å; A405-P466 HydrophobicContact CB-CG 4.47Å; Y406-P466 HydrophobicContact CD1-CB 3.92Å; Y406-P466 HydrophobicContact CD1-CG 4.32Å; Y406-P466 HydrophobicContact CE1-CB 3.68Å; M409-P466 HydrophobicContact CG-CG 3.38Å; M409-P466 HydrophobicContact SD-CG 3.89Å; A464-P466 VanDerWaalsContact C-CD 3.48Å; P466-M469 PolarHBondContact O-N 3.31Å; P466-M470 WeakPolarHBondContact O-CB 3.26Å; P466-M470 PolarHBondContact O-N 3.23Å
467	L	98.5	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-75.8	-29.6	178.3	-56.9	-172.1	0	0	0	112.6	W378 A464 A465 M470 Y471 Y476 I489 T492 L493 L519	W378-L467 HydrophobicContact CH2-CD2 3.91Å; A464-L467 HydrophobicContact CB-CB 4.1Å; A464-L467 HydrophobicContact CB-CD1 4.24Å; A464-L467 HydrophobicContact CB-CG 4.38Å; A464-L467 PolarHBondContact O-N 3.39Å; A465-L467 VanDerWaalsContact C-N 3.32Å; A465-L467 PolarHBondContact O-N 3.02Å; L467-M470 HydrophobicContact CD2-CE 4.08Å; L467-M470 HydrophobicContact CD2-SD 4.43Å; L467-M470 WeakPolarHBondContact O-CB 3.47Å; L467-M470 PolarHBondContact O-N 3.38Å; L467-Y471 PolarHBondContact O-N 3.23Å; L467-Y476 WeakPolarHBondContact O-CE2 3.41Å; L467-Y476 PolarHBondContact O-OH 3.19Å; L467-I489 HydrophobicContact CD1-CG2 4.12Å; L467-I489 HydrophobicContact CD2-CD1 3.69Å; L467-I489 HydrophobicContact CD2-CG2 4.26Å; L467-T492 HydrophobicContact CD1-CG2 3.94Å; L467-L493 HydrophobicContact CB-CD2 4.43Å; L467-L493 HydrophobicContact CD1-CD2 3.65Å; L467-L493 HydrophobicContact CD1-CG 3.88Å; L467-L519 HydrophobicContact CB-CD1 4.1Å
468	E	98	Very high	95.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-46.1	168.5	-178.7	177.6	-164.3	0	0	110.5	F446 K450 A464 A465 M470 Y471 I472 L515 Y552	F446-E468 HydrophobicContact CE1-CG 4.26Å; F446-E468 HydrophobicContact CZ-CG 3.93Å; F446-E468 WeakPolarHBondContact CZ-OE1 3.18Å; K450-E468 VanDerWaalsContact CE-OE1 3.26Å; K450-E468 WeakPolarHBondContact CE-OE1 3.33Å; K450-E468 WeakPolarHBondContact CE-OE2 3.36Å; K450-E468 IonicContact NZ-OE1 3.6Å; K450-E468 PolarHBondContact NZ-OE1 2.83Å; K450-E468 IonicContact NZ-OE2 2.67Å; K450-E468 PolarHBondContact NZ-OE2 3.46Å; A464-E468 PolarHBondContact O-N 3.45Å; A465-E468 PolarHBondContact O-N 3.03Å; E468-M470 VanDerWaalsContact C-N 3.3Å; E468-M470 PolarHBondContact O-N 2.89Å; E468-Y471 WeakPolarHBondContact O-CB 3.24Å; E468-Y471 PolarHBondContact O-N 2.97Å; E468-I472 PolarHBondContact O-N 3.28Å; E468-L515 HydrophobicContact CB-CD1 4.12Å; E468-L515 HydrophobicContact CB-CD2 4.25Å; E468-L515 HydrophobicContact CG-CD1 3.79Å; E468-L515 HydrophobicContact CG-CD2 4.16Å; E468-Y552 WeakPolarHBondContact CG-OH 3.19Å; E468-Y552 PolarHBondContact OE1-OH 3.21Å
469	M	97.3	Very high	95.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.6	-35	174.5	-77.7	-64.5	-62.9	0	0	112.3	W370 T398 F401 M402 F446 A465 P466 Y471 I472 W473	W370-M469 HydrophobicContact CH2-CB 4.08Å; T398-M469 HydrophobicContact CG2-CE 4.29Å; F401-M469 HydrophobicContact CD1-CG 4.06Å; F401-M469 HydrophobicContact CE1-CG 3.58Å; F401-M469 HydrophobicContact CE1-SD 4.29Å; M402-M469 HydrophobicContact CE-CB 4.16Å; M402-M469 HydrophobicContact SD-CB 3.66Å; M402-M469 HydrophobicContact SD-CE 4.11Å; M402-M469 HydrophobicContact SD-CG 3.68Å; F446-M469 HydrophobicContact CD1-SD 3.71Å; F446-M469 HydrophobicContact CE1-SD 3.83Å; A465-M469 PolarHBondContact O-N 3.41Å; A465-M469 VanDerWaalsContact O-N 3.16Å; P466-M469 PolarHBondContact O-N 3.31Å; M469-Y471 VanDerWaalsContact C-N 3.25Å; M469-Y471 PolarHBondContact O-N 3Å; M469-I472 WeakPolarHBondContact O-CB 3.36Å; M469-I472 PolarHBondContact O-N 3.11Å; M469-W473 VanDerWaalsContact O-CD1 3.25Å; M469-W473 PolarHBondContact O-N 2.83Å
470	M	97	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.5	-38.5	174	-173.1	172	77.6	0	0	112.2	W370 Y374 P466 L467 E468 W473 N474 G475 Y476 I479 I489	W370-M470 HydrophobicContact CZ3-CB 4.03Å; W370-M470 HydrophobicContact CZ3-CG 4.43Å; Y374-M470 HydrophobicContact CD1-CG 4.32Å; Y374-M470 HydrophobicContact CD1-SD 3.58Å; Y374-M470 VanDerWaalsContact CD1-SD 3.58Å; Y374-M470 HydrophobicContact CE1-CG 3.81Å; Y374-M470 HydrophobicContact CE1-SD 3.7Å; P466-M470 WeakPolarHBondContact O-CB 3.26Å; P466-M470 PolarHBondContact O-N 3.23Å; L467-M470 HydrophobicContact CD2-CE 4.08Å; L467-M470 HydrophobicContact CD2-SD 4.43Å; L467-M470 WeakPolarHBondContact O-CB 3.47Å; L467-M470 PolarHBondContact O-N 3.38Å; E468-M470 VanDerWaalsContact C-N 3.3Å; E468-M470 PolarHBondContact O-N 2.89Å; M470-W473 CarbonylContact O-C 3.56Å; M470-W473 PolarHBondContact O-N 3.16Å; M470-N474 PolarHBondContact O-N 2.86Å; M470-G475 PolarHBondContact O-N 3.46Å; M470-Y476 HydrophobicContact CB-CE2 4.26Å; M470-Y476 HydrophobicContact CE-CD1 4.05Å; M470-Y476 HydrophobicContact CE-CD2 3.79Å; M470-Y476 HydrophobicContact CE-CE1 3.68Å; M470-Y476 HydrophobicContact CE-CE2 3.39Å; M470-Y476 HydrophobicContact CE-CG 4.1Å; M470-Y476 HydrophobicContact CG-CD2 4.37Å; M470-Y476 HydrophobicContact CG-CE2 4.26Å; M470-I479 HydrophobicContact CE-CD1 3.71Å; M470-I489 HydrophobicContact CE-CD1 4.36Å; M470-I489 HydrophobicContact CE-CG1 4.49Å; M470-I489 HydrophobicContact CE-CG2 3.99Å
471	Y	96.3	Very high	95.8	Very high	5 Å²	5	17.4 Å²	17.4	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-42.8	173.6	172	-109	0	0	0	112	L467 E468 M469 W473 N474 Y476 L518 L519 L522 N556 E560 R593 R597	L467-Y471 PolarHBondContact O-N 3.23Å; E468-Y471 WeakPolarHBondContact O-CB 3.24Å; E468-Y471 PolarHBondContact O-N 2.97Å; M469-Y471 VanDerWaalsContact C-N 3.25Å; M469-Y471 PolarHBondContact O-N 3Å; Y471-W473 PolarHBondContact O-N 2.83Å; Y471-N474 PolarHBondContact O-N 3.35Å; Y471-N474 VanDerWaalsContact O-N 3.11Å; Y471-Y476 HydrophobicContact CD2-CD2 4.47Å; Y471-L518 HydrophobicContact CE1-CD2 4.45Å; Y471-L519 HydrophobicContact CG-CD2 4.41Å; Y471-L522 HydrophobicContact CD2-CD1 3.35Å; Y471-L522 HydrophobicContact CE2-CD1 3.75Å; Y471-L522 HydrophobicContact CE2-CD2 4.48Å; Y471-L522 HydrophobicContact CG-CD1 4.24Å; Y471-N556 HydrophobicContact CE1-CB 4.04Å; Y471-N556 VanDerWaalsContact OH-CB 3.31Å; Y471-N556 WeakPolarHBondContact OH-CB 3.33Å; Y471-N556 VanDerWaalsContact OH-CG 3.29Å; Y471-N556 PolarHBondContact OH-OD1 3.38Å; Y471-E560 HydrophobicContact CE2-CG 4.15Å; Y471-E560 WeakPolarHBondContact CE2-OE1 3.32Å; Y471-E560 PolarHBondContact OH-OE1 2.95Å; Y471-R593 PolarHBondContact O-NH2 2.88Å; Y471-R597 PolarHBondContact OH-NH1 2.84Å
472	I	93.6	Very high	96	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-30.3	177.9	-59.8	-55.5	0	0	0	112	F446 E468 M469 M590 R593	F446-I472 HydrophobicContact CE1-CG1 4.39Å; F446-I472 HydrophobicContact CE2-CD1 4.35Å; F446-I472 HydrophobicContact CZ-CD1 4.45Å; F446-I472 HydrophobicContact CZ-CG1 4.34Å; E468-I472 PolarHBondContact O-N 3.28Å; M469-I472 WeakPolarHBondContact O-CB 3.36Å; M469-I472 PolarHBondContact O-N 3.11Å; I472-M590 HydrophobicContact CD1-CG 4.15Å; I472-M590 HydrophobicContact CG2-CE 3.7Å; I472-R593 PolarHBondContact O-NE 3.15Å; I472-R593 PolarHBondContact O-NH2 3Å; I472-R593 VanDerWaalsContact O-NH2 3.14Å
473	W	92.2	Very high	96.1	Very high	55 Å²	55	22.6 Å²	22.6	21%	0.208	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	15.7	178.7	-65.3	101	0	0	0	114.2	F297 I298 W366 W370 T443 M469 M470 Y471 G475	F297-W473 WeakPolarHBondContact CE1-O 3.48Å; I298-W473 HydrophobicContact CD1-CE3 4.05Å; I298-W473 HydrophobicContact CD1-CZ3 3.99Å; W366-W473 AromaticContact CH2-CE2 3.96Å; W366-W473 HydrophobicContact CH2-CH2 4.42Å; W366-W473 AromaticContact CH2-CZ2 3.77Å; W366-W473 HydrophobicContact CH2-CZ2 3.77Å; W366-W473 HydrophobicContact CZ2-CD2 4.05Å; W366-W473 AromaticContact CZ2-CE2 3.63Å; W366-W473 HydrophobicContact CZ2-CE3 4.32Å; W366-W473 AromaticContact CZ2-CH2 3.85Å; W366-W473 HydrophobicContact CZ2-CH2 3.85Å; W366-W473 AromaticContact CZ2-CZ2 3.53Å; W366-W473 HydrophobicContact CZ2-CZ2 3.53Å; W366-W473 HydrophobicContact CZ2-CZ3 4.23Å; W370-W473 HydrophobicContact CH2-CB 4.47Å; W370-W473 AromaticContact CH2-CD1 3.66Å; W370-W473 HydrophobicContact CH2-CG 4.32Å; W370-W473 HydrophobicContact CZ2-CB 4.13Å; W370-W473 AromaticContact CZ2-CD1 3.22Å; W370-W473 AromaticContact CZ2-CG 3.74Å; W370-W473 HydrophobicContact CZ2-CG 3.74Å; W370-W473 AromaticContact CZ2-NE1 3.78Å; T443-W473 HydrophobicContact CG2-CH2 4.45Å; T443-W473 HydrophobicContact CG2-CZ2 3.76Å; M469-W473 VanDerWaalsContact O-CD1 3.25Å; M469-W473 PolarHBondContact O-N 2.83Å; M470-W473 CarbonylContact O-C 3.56Å; M470-W473 PolarHBondContact O-N 3.16Å; Y471-W473 PolarHBondContact O-N 2.83Å; W473-G475 PolarHBondContact O-N 3.37Å
474	N	92.9	Very high	96.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	22.8	-179.5	-73.1	-24.2	0	0	0	115.2	F297 I298 M470 Y471 Y476 T477 R593	F297-N474 HydrophobicContact CD1-CB 4.45Å; F297-N474 HydrophobicContact CE1-CB 3.87Å; F297-N474 HydrophobicContact CZ-CB 4.01Å; F297-N474 PolarHBondContact O-ND2 2.89Å; I298-N474 PolarHBondContact O-ND2 3.29Å; M470-N474 PolarHBondContact O-N 2.86Å; Y471-N474 PolarHBondContact O-N 3.35Å; Y471-N474 VanDerWaalsContact O-N 3.11Å; N474-Y476 PolarHBondContact O-N 3.18Å; N474-Y476 VanDerWaalsContact O-N 3.14Å; N474-T477 PolarHBondContact O-N 3.31Å; N474-T477 VanDerWaalsContact O-N 3.07Å; N474-T477 PolarHBondContact O-OG1 3.21Å; N474-R593 PolarHBondContact OD1-NH2 3.47Å
475	G	95.7	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-21.3	-179.1	0	0	0	0	0	114.8	M470 W473 T477 V478 I479	M470-G475 PolarHBondContact O-N 3.46Å; W473-G475 PolarHBondContact O-N 3.37Å; G475-T477 PolarHBondContact O-N 2.9Å; G475-V478 WeakPolarHBondContact O-CB 3.19Å; G475-V478 PolarHBondContact O-N 2.67Å; G475-V478 VanDerWaalsContact O-N 3.09Å; G475-I479 PolarHBondContact O-N 2.9Å; G475-I479 VanDerWaalsContact O-N 3.09Å
476	Y	96.8	Very high	96.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-30.4	174.1	-73.9	-93.1	0	0	0	112.7	L467 M470 Y471 N474 V478 I479 G480 I489 L519 L522 H526	L467-Y476 WeakPolarHBondContact O-CE2 3.41Å; L467-Y476 PolarHBondContact O-OH 3.19Å; M470-Y476 HydrophobicContact CB-CE2 4.26Å; M470-Y476 HydrophobicContact CE-CD1 4.05Å; M470-Y476 HydrophobicContact CE-CD2 3.79Å; M470-Y476 HydrophobicContact CE-CE1 3.68Å; M470-Y476 HydrophobicContact CE-CE2 3.39Å; M470-Y476 HydrophobicContact CE-CG 4.1Å; M470-Y476 HydrophobicContact CG-CD2 4.37Å; M470-Y476 HydrophobicContact CG-CE2 4.26Å; Y471-Y476 HydrophobicContact CD2-CD2 4.47Å; N474-Y476 PolarHBondContact O-N 3.18Å; N474-Y476 VanDerWaalsContact O-N 3.14Å; Y476-V478 VanDerWaalsContact C-N 3.31Å; Y476-V478 PolarHBondContact O-N 2.94Å; Y476-I479 HydrophobicContact CD1-CD1 3.89Å; Y476-I479 HydrophobicContact CE1-CD1 4.28Å; Y476-I479 HydrophobicContact CG-CD1 4.46Å; Y476-I479 WeakPolarHBondContact O-CG1 3.37Å; Y476-G480 PolarHBondContact O-N 3.14Å; Y476-I489 HydrophobicContact CE1-CG2 4.19Å; Y476-L519 HydrophobicContact CE2-CD2 3.95Å; Y476-L519 WeakPolarHBondContact OH-CD2 3.5Å; Y476-L522 HydrophobicContact CD1-CB 3.65Å; Y476-L522 HydrophobicContact CD1-CD1 4.35Å; Y476-L522 HydrophobicContact CD2-CD1 4.08Å; Y476-L522 HydrophobicContact CE1-CB 4.12Å; Y476-L522 HydrophobicContact CE2-CD1 4.32Å; Y476-L522 HydrophobicContact CG-CB 4.02Å; Y476-L522 HydrophobicContact CG-CD1 4.1Å; Y476-H526 PolarHBondContact O-CD2 3.41Å; Y476-H526 PolarHBondContact O-NE2 3.06Å
477	T	94.3	Very high	96.4	Very high	24 Å²	24	31.8 Å²	31.8	15%	0.147	15%	0.152	C	C	.	.	H	α-helix	trans	-71.9	-25.9	176.2	65.2	0	0	0	0	113.2	F297 N474 G475	F297-T477 VanDerWaalsContact CE2-OG1 3.24Å; F297-T477 WeakPolarHBondContact CE2-OG1 3.39Å; F297-T477 WeakPolarHBondContact CZ-OG1 3.35Å; N474-T477 PolarHBondContact O-N 3.31Å; N474-T477 VanDerWaalsContact O-N 3.07Å; N474-T477 PolarHBondContact O-OG1 3.21Å; G475-T477 PolarHBondContact O-N 2.9Å
478	V	95.6	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-77.2	-55.8	175.3	172.5	0	0	0	0	110.1	F297 E335 L340 Y374 G475 Y476 G480 K481	F297-V478 HydrophobicContact CE2-CG2 4.12Å; F297-V478 HydrophobicContact CZ-CG2 3.73Å; E335-V478 WeakPolarHBondContact O-CG1 3.41Å; L340-V478 HydrophobicContact CD2-CG1 3.97Å; Y374-V478 HydrophobicContact CD2-CB 4.48Å; Y374-V478 HydrophobicContact CD2-CG1 3.75Å; Y374-V478 HydrophobicContact CE2-CB 4.11Å; Y374-V478 HydrophobicContact CE2-CG1 3.71Å; Y374-V478 HydrophobicContact CE2-CG2 4.35Å; Y374-V478 HydrophobicContact CG-CG1 4.45Å; G475-V478 WeakPolarHBondContact O-CB 3.19Å; G475-V478 PolarHBondContact O-N 2.67Å; G475-V478 VanDerWaalsContact O-N 3.09Å; Y476-V478 VanDerWaalsContact C-N 3.31Å; Y476-V478 PolarHBondContact O-N 2.94Å; V478-G480 PolarHBondContact O-N 3.16Å; V478-K481 WeakPolarHBondContact O-CB 3.38Å; V478-K481 WeakPolarHBondContact O-CG 3.32Å; V478-K481 PolarHBondContact O-N 3.05Å; V478-K481 VanDerWaalsContact O-N 3.11Å
479	I	97.5	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-30.9	179	67.2	177.2	0	0	0	111.3	Y374 M470 G475 Y476 K481 H482 L485 T486 I489	Y374-I479 HydrophobicContact CD1-CG2 3.81Å; Y374-I479 HydrophobicContact CG-CG2 3.94Å; M470-I479 HydrophobicContact CE-CD1 3.71Å; G475-I479 PolarHBondContact O-N 2.9Å; G475-I479 VanDerWaalsContact O-N 3.09Å; Y476-I479 HydrophobicContact CD1-CD1 3.89Å; Y476-I479 HydrophobicContact CE1-CD1 4.28Å; Y476-I479 HydrophobicContact CG-CD1 4.46Å; Y476-I479 WeakPolarHBondContact O-CG1 3.37Å; I479-K481 PolarHBondContact O-N 3.06Å; I479-H482 CarbonylContact O-C 3.5Å; I479-H482 PolarHBondContact O-N 2.98Å; I479-L485 HydrophobicContact CB-CB 3.99Å; I479-L485 HydrophobicContact CG2-CB 4.33Å; I479-T486 PolarHBondContact O-OG1 3.01Å; I479-I489 HydrophobicContact CD1-CB 3.94Å; I479-I489 HydrophobicContact CD1-CG1 3.74Å; I479-I489 HydrophobicContact CD1-CG2 4.02Å
480	G	96.1	Very high	96.5	Very high	19 Å²	19	33.3 Å²	33.3	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.5	178.4	0	0	0	0	0	114.9	Y476 V478 H482 T486	Y476-G480 PolarHBondContact O-N 3.14Å; V478-G480 PolarHBondContact O-N 3.16Å; G480-H482 VanDerWaalsContact C-N 3.3Å; G480-T486 WeakPolarHBondContact CA-OG1 3.16Å; G480-T486 PolarHBondContact N-OG1 3.02Å
481	K	95.3	Very high	96.6	Very high	132 Å²	132	39 Å²	39	57%	0.574	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.9	171.3	-55.8	-60.1	-179.5	177.2	0	112.7	V478 I479	V478-K481 WeakPolarHBondContact O-CB 3.38Å; V478-K481 WeakPolarHBondContact O-CG 3.32Å; V478-K481 PolarHBondContact O-N 3.05Å; V478-K481 VanDerWaalsContact O-N 3.11Å; I479-K481 PolarHBondContact O-N 3.06Å
482	H	96.7	Very high	96.7	Very high	61 Å²	61	39.1 Å²	39.1	28%	0.282	19%	0.188	S	C	.	.			trans	-130.5	122.7	-176.4	-68	-78.7	0	0	0	111.3	G338 I479 G480 D484 L485 T486	G338-H482 PolarHBondContact O-CD2 3.18Å; G338-H482 PolarHBondContact O-NE2 3.12Å; G338-H482 VanDerWaalsContact O-NE2 3.09Å; I479-H482 CarbonylContact O-C 3.5Å; I479-H482 PolarHBondContact O-N 2.98Å; G480-H482 VanDerWaalsContact C-N 3.3Å; H482-D484 VanDerWaalsContact C-N 3.35Å; H482-D484 WeakPolarHBondContact CB-OD1 3.5Å; H482-D484 PolarHBondContact O-N 3.5Å; H482-L485 HydrophobicContact CB-CB 4.2Å; H482-L485 HydrophobicContact CB-CD1 3.88Å; H482-L485 HydrophobicContact CB-CG 3.86Å; H482-L485 PolarHBondContact O-N 2.84Å; H482-T486 PolarHBondContact O-N 2.99Å; H482-T486 VanDerWaalsContact O-N 3.13Å; H482-T486 PolarHBondContact O-OG1 2.98Å
483	K	97.8	Very high	96.9	Very high	141 Å²	141	39 Å²	39	61%	0.613	19%	0.188	S	C	*	.	H	α-helix	trans	-60.1	-43.7	-176.9	179.3	172.9	173	175.4	0	112.1	T486 E487 L527	K483-T486 PolarHBondContact O-N 3.47Å; K483-E487 VanDerWaalsContact CE-CD 3.44Å; K483-E487 WeakPolarHBondContact CE-OE1 3.28Å; K483-E487 HydrophobicContact CG-CG 4.19Å; K483-E487 IonicContact NZ-OE1 3.58Å; K483-E487 WeakPolarHBondContact O-CB 3.37Å; K483-E487 WeakPolarHBondContact O-CG 3.49Å; K483-E487 PolarHBondContact O-N 3.18Å; K483-L527 HydrophobicContact CG-CD2 3.87Å
484	D	97.7	Very high	97.2	Very high	104 Å²	104	39.8 Å²	39.8	56%	0.556	20%	0.196	S	C	*	.	H	α-helix	trans	-63.9	-40.3	-179.1	60.9	-59.3	0	0	0	112.8	H482 G488	H482-D484 VanDerWaalsContact C-N 3.35Å; H482-D484 WeakPolarHBondContact CB-OD1 3.5Å; H482-D484 PolarHBondContact O-N 3.5Å; D484-G488 PolarHBondContact O-N 3.06Å
485	L	98.1	Very high	97.4	Very high	21 Å²	21	44 Å²	44	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-46.7	174.3	-62.4	-176.5	0	0	0	110.7	L340 I479 H482 G488 I489	L340-L485 HydrophobicContact CD1-CD1 3.56Å; L340-L485 HydrophobicContact CD1-CD2 4.36Å; L340-L485 HydrophobicContact CG-CD1 4.24Å; I479-L485 HydrophobicContact CB-CB 3.99Å; I479-L485 HydrophobicContact CG2-CB 4.33Å; H482-L485 HydrophobicContact CB-CB 4.2Å; H482-L485 HydrophobicContact CB-CD1 3.88Å; H482-L485 HydrophobicContact CB-CG 3.86Å; H482-L485 PolarHBondContact O-N 2.84Å; L485-G488 PolarHBondContact O-N 3.32Å; L485-I489 WeakPolarHBondContact O-CG1 3.36Å; L485-I489 PolarHBondContact O-N 3.19Å
486	T	98.6	Very high	97.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-44.6	-178.5	-55.5	0	0	0	0	112.1	I479 G480 H482 K483 G488 I489 L490 C523 H526 L527	I479-T486 PolarHBondContact O-OG1 3.01Å; G480-T486 WeakPolarHBondContact CA-OG1 3.16Å; G480-T486 PolarHBondContact N-OG1 3.02Å; H482-T486 PolarHBondContact O-N 2.99Å; H482-T486 VanDerWaalsContact O-N 3.13Å; H482-T486 PolarHBondContact O-OG1 2.98Å; K483-T486 PolarHBondContact O-N 3.47Å; T486-G488 VanDerWaalsContact C-N 3.3Å; T486-G488 PolarHBondContact O-N 3.37Å; T486-I489 PolarHBondContact O-N 2.74Å; T486-L490 WeakPolarHBondContact O-CB 3.34Å; T486-L490 PolarHBondContact O-N 2.96Å; T486-C523 HydrophobicContact CG2-CB 3.88Å; T486-C523 WeakPolarHBondContact CG2-O 3.47Å; T486-H526 HydrophobicContact CG2-CB 4.26Å; T486-L527 HydrophobicContact CG2-CD1 4.07Å; T486-L527 HydrophobicContact CG2-CD2 3.97Å; T486-L527 HydrophobicContact CG2-CG 3.64Å
487	E	98.5	Very high	97.6	Very high	91 Å²	91	45.7 Å²	45.7	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-39	174.2	-74.4	178.8	156.6	0	0	111.6	K483 L490 K491 L527	K483-E487 VanDerWaalsContact CE-CD 3.44Å; K483-E487 WeakPolarHBondContact CE-OE1 3.28Å; K483-E487 HydrophobicContact CG-CG 4.19Å; K483-E487 IonicContact NZ-OE1 3.58Å; K483-E487 WeakPolarHBondContact O-CB 3.37Å; K483-E487 WeakPolarHBondContact O-CG 3.49Å; K483-E487 PolarHBondContact O-N 3.18Å; E487-L490 PolarHBondContact O-N 3.37Å; E487-K491 WeakPolarHBondContact O-CB 3.32Å; E487-K491 PolarHBondContact O-N 3.39Å; E487-L527 HydrophobicContact CG-CD1 4.2Å; E487-L527 HydrophobicContact CG-CD2 3.88Å
488	G	98.4	Very high	97.7	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-44.7	175.1	0	0	0	0	0	112.7	R376 D484 L485 T486 T492	R376-G488 WeakPolarHBondContact CD-O 3.15Å; R376-G488 VanDerWaalsContact CZ-CA 3.41Å; R376-G488 VanDerWaalsContact CZ-O 3.24Å; R376-G488 PolarHBondContact NE-O 2.96Å; R376-G488 PolarHBondContact NH1-O 3.48Å; D484-G488 PolarHBondContact O-N 3.06Å; L485-G488 PolarHBondContact O-N 3.32Å; T486-G488 VanDerWaalsContact C-N 3.3Å; T486-G488 PolarHBondContact O-N 3.37Å; G488-T492 PolarHBondContact O-N 3.09Å; G488-T492 PolarHBondContact O-OG1 2.67Å
489	I	98.6	Very high	97.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-42.4	177.1	-65.4	-71.1	0	0	0	111	R376 L467 M470 Y476 I479 L485 T486 K491 T492 L493	R376-I489 HydrophobicContact CG-CD1 3.62Å; R376-I489 HydrophobicContact CG-CG1 4.5Å; L467-I489 HydrophobicContact CD1-CG2 4.12Å; L467-I489 HydrophobicContact CD2-CD1 3.69Å; L467-I489 HydrophobicContact CD2-CG2 4.26Å; M470-I489 HydrophobicContact CE-CD1 4.36Å; M470-I489 HydrophobicContact CE-CG1 4.49Å; M470-I489 HydrophobicContact CE-CG2 3.99Å; Y476-I489 HydrophobicContact CE1-CG2 4.19Å; I479-I489 HydrophobicContact CD1-CB 3.94Å; I479-I489 HydrophobicContact CD1-CG1 3.74Å; I479-I489 HydrophobicContact CD1-CG2 4.02Å; L485-I489 WeakPolarHBondContact O-CG1 3.36Å; L485-I489 PolarHBondContact O-N 3.19Å; T486-I489 PolarHBondContact O-N 2.74Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.47Å; I489-T492 WeakPolarHBondContact O-CB 3.44Å; I489-T492 PolarHBondContact O-N 2.86Å; I489-T492 VanDerWaalsContact O-N 3.12Å; I489-L493 HydrophobicContact CG2-CD1 4.28Å; I489-L493 WeakPolarHBondContact O-CG 3.35Å; I489-L493 PolarHBondContact O-N 3.28Å
490	L	98.8	Very high	97.7	Very high	26 Å²	26	51.9 Å²	51.9	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-45.1	175.8	-179.6	56.7	0	0	0	111.4	T486 E487 T492 L493 D494 K520 C523 L524 L527	T486-L490 WeakPolarHBondContact O-CB 3.34Å; T486-L490 PolarHBondContact O-N 2.96Å; E487-L490 PolarHBondContact O-N 3.37Å; L490-T492 VanDerWaalsContact C-N 3.31Å; L490-T492 PolarHBondContact O-N 3.26Å; L490-L493 CarbonylContact O-C 3.58Å; L490-L493 WeakPolarHBondContact O-CA 3.29Å; L490-L493 WeakPolarHBondContact O-CB 3.49Å; L490-L493 PolarHBondContact O-N 3.04Å; L490-D494 PolarHBondContact O-N 3Å; L490-K520 HydrophobicContact CD1-CB 4.13Å; L490-K520 HydrophobicContact CD1-CD 4.43Å; L490-K520 HydrophobicContact CD1-CG 3.86Å; L490-C523 HydrophobicContact CB-CB 4.01Å; L490-C523 HydrophobicContact CD1-CB 4.16Å; L490-C523 HydrophobicContact CG-CB 4.48Å; L490-L524 HydrophobicContact CD2-CD2 4.12Å; L490-L524 HydrophobicContact CD2-CG 4.49Å; L490-L527 HydrophobicContact CD2-CD1 3.94Å
491	K	98.5	Very high	97.6	Very high	121 Å²	121	57.1 Å²	57.1	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-43.2	175.2	-175.1	-176.8	178.4	-170.2	0	112.2	E487 I489 L493 D494 E495	E487-K491 WeakPolarHBondContact O-CB 3.32Å; E487-K491 PolarHBondContact O-N 3.39Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.47Å; K491-L493 VanDerWaalsContact C-N 3.29Å; K491-L493 PolarHBondContact O-N 3.07Å; K491-D494 WeakPolarHBondContact O-CB 3.45Å; K491-D494 PolarHBondContact O-N 3.37Å; K491-E495 VanDerWaalsContact CE-OE1 3.24Å; K491-E495 WeakPolarHBondContact CE-OE1 3.17Å; K491-E495 IonicContact NZ-OE1 3.48Å; K491-E495 WeakPolarHBondContact O-CG 3.34Å; K491-E495 PolarHBondContact O-N 3.33Å
492	T	98.4	Very high	97.6	Very high	7 Å²	7	55 Å²	55	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-34.6	176.6	-64.1	0	0	0	0	112	R376 W378 M409 L467 G488 I489 L490 A496	R376-T492 WeakPolarHBondContact CD-OG1 3.47Å; R376-T492 PolarHBondContact NH1-OG1 3.05Å; W378-T492 HydrophobicContact CZ2-CG2 4.34Å; M409-T492 HydrophobicContact CE-CG2 3.35Å; L467-T492 HydrophobicContact CD1-CG2 3.94Å; G488-T492 PolarHBondContact O-N 3.09Å; G488-T492 PolarHBondContact O-OG1 2.67Å; I489-T492 WeakPolarHBondContact O-CB 3.44Å; I489-T492 PolarHBondContact O-N 2.86Å; I489-T492 VanDerWaalsContact O-N 3.12Å; L490-T492 VanDerWaalsContact C-N 3.31Å; L490-T492 PolarHBondContact O-N 3.26Å; T492-A496 WeakPolarHBondContact O-CB 3.47Å; T492-A496 PolarHBondContact O-N 2.87Å
493	L	98.7	Very high	97.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70.8	-32.7	173.4	-66.1	167.7	0	0	0	112.5	A464 L467 I489 L490 K491 A496 Q497 L516 L519 K520	A464-L493 HydrophobicContact CB-CD2 4.02Å; L467-L493 HydrophobicContact CB-CD2 4.43Å; L467-L493 HydrophobicContact CD1-CD2 3.65Å; L467-L493 HydrophobicContact CD1-CG 3.88Å; I489-L493 HydrophobicContact CG2-CD1 4.28Å; I489-L493 WeakPolarHBondContact O-CG 3.35Å; I489-L493 PolarHBondContact O-N 3.28Å; L490-L493 CarbonylContact O-C 3.58Å; L490-L493 WeakPolarHBondContact O-CA 3.29Å; L490-L493 WeakPolarHBondContact O-CB 3.49Å; L490-L493 PolarHBondContact O-N 3.04Å; K491-L493 VanDerWaalsContact C-N 3.29Å; K491-L493 PolarHBondContact O-N 3.07Å; L493-A496 PolarHBondContact O-N 3.31Å; L493-Q497 WeakPolarHBondContact O-CB 3.48Å; L493-Q497 PolarHBondContact O-N 3.01Å; L493-L516 HydrophobicContact CD2-CD2 3.82Å; L493-L519 HydrophobicContact CD1-CB 3.69Å; L493-L519 HydrophobicContact CD2-CB 3.84Å; L493-L519 HydrophobicContact CD2-CD1 3.83Å; L493-L519 HydrophobicContact CG-CB 4.45Å; L493-K520 HydrophobicContact CB-CG 3.87Å; L493-K520 HydrophobicContact CD1-CG 4.1Å; L493-K520 WeakPolarHBondContact O-CE 3.34Å
494	D	98.5	Very high	97	Very high	71 Å²	71	57 Å²	57	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-43	173.1	-68.2	-33.8	0	0	0	111.8	L490 K491 A496 Q497 A498 K520	L490-D494 PolarHBondContact O-N 3Å; K491-D494 WeakPolarHBondContact O-CB 3.45Å; K491-D494 PolarHBondContact O-N 3.37Å; D494-A496 VanDerWaalsContact C-N 3.34Å; D494-A496 PolarHBondContact O-N 3.34Å; D494-Q497 PolarHBondContact O-N 3.32Å; D494-A498 PolarHBondContact O-N 3.18Å; D494-K520 WeakPolarHBondContact OD1-CE 3.5Å; D494-K520 IonicContact OD1-NZ 2.8Å; D494-K520 PolarHBondContact OD1-NZ 3.16Å
495	E	97.7	Very high	96.9	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-41.7	173.5	-70.1	164.2	179.2	0	0	111.7	K491 A498 T499	K491-E495 VanDerWaalsContact CE-OE1 3.24Å; K491-E495 WeakPolarHBondContact CE-OE1 3.17Å; K491-E495 IonicContact NZ-OE1 3.48Å; K491-E495 WeakPolarHBondContact O-CG 3.34Å; K491-E495 PolarHBondContact O-N 3.33Å; E495-A498 PolarHBondContact O-N 2.9Å; E495-T499 WeakPolarHBondContact O-CB 3.47Å; E495-T499 PolarHBondContact O-N 3.25Å; E495-T499 PolarHBondContact O-OG1 2.88Å
496	A	97.6	Very high	96.7	Very high	11 Å²	11	63.8 Å²	63.8	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-40.1	175	0	0	0	0	0	112.5	P463 T492 L493 D494 T499 L500 L516	P463-A496 HydrophobicContact CB-CB 4.49Å; P463-A496 WeakPolarHBondContact O-CB 3.45Å; T492-A496 WeakPolarHBondContact O-CB 3.47Å; T492-A496 PolarHBondContact O-N 2.87Å; L493-A496 PolarHBondContact O-N 3.31Å; D494-A496 VanDerWaalsContact C-N 3.34Å; D494-A496 PolarHBondContact O-N 3.34Å; A496-T499 PolarHBondContact O-N 3.04Å; A496-L500 WeakPolarHBondContact O-CB 3.49Å; A496-L500 PolarHBondContact O-N 3.34Å; A496-L516 HydrophobicContact CB-CD1 4.43Å; A496-L516 HydrophobicContact CB-CD2 4Å
497	Q	97.9	Very high	96.5	Very high	27 Å²	27	68.4 Å²	68.4	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-48.2	175.6	-178.3	70.5	33.3	0	0	111.4	L493 D494 T499 L500 E501 L516	L493-Q497 WeakPolarHBondContact O-CB 3.48Å; L493-Q497 PolarHBondContact O-N 3.01Å; D494-Q497 PolarHBondContact O-N 3.32Å; Q497-T499 VanDerWaalsContact C-N 3.25Å; Q497-T499 PolarHBondContact O-N 3.35Å; Q497-L500 WeakPolarHBondContact O-CB 3.47Å; Q497-L500 PolarHBondContact O-N 3.22Å; Q497-L500 VanDerWaalsContact O-N 3.16Å; Q497-E501 WeakPolarHBondContact CG-OE1 3.37Å; Q497-E501 PolarHBondContact NE2-OE1 3.03Å; Q497-E501 WeakPolarHBondContact O-CG 3.46Å; Q497-E501 PolarHBondContact O-N 2.66Å; Q497-L516 HydrophobicContact CB-CD1 4.03Å; Q497-L516 VanDerWaalsContact OE1-CD1 3.22Å
498	A	97.6	Very high	96.4	Very high	57 Å²	57	65.9 Å²	65.9	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-39.8	178.1	0	0	0	0	0	111.3	D494 E495 E501 S502	D494-A498 PolarHBondContact O-N 3.18Å; E495-A498 PolarHBondContact O-N 2.9Å; A498-E501 PolarHBondContact O-N 2.84Å; A498-S502 PolarHBondContact O-N 2.97Å
499	T	95.3	Very high	96.3	Very high	74 Å²	74	65.9 Å²	65.9	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-50.3	174	-59	0	0	0	0	110.8	E495 A496 Q497 E501 S502 F503	E495-T499 WeakPolarHBondContact O-CB 3.47Å; E495-T499 PolarHBondContact O-N 3.25Å; E495-T499 PolarHBondContact O-OG1 2.88Å; A496-T499 PolarHBondContact O-N 3.04Å; Q497-T499 VanDerWaalsContact C-N 3.25Å; Q497-T499 PolarHBondContact O-N 3.35Å; T499-E501 VanDerWaalsContact C-N 3.28Å; T499-E501 PolarHBondContact O-N 2.91Å; T499-S502 PolarHBondContact O-N 3.47Å; T499-S502 VanDerWaalsContact O-N 3.09Å; T499-S502 PolarHBondContact O-OG 3.49Å; T499-F503 HydrophobicContact CG2-CD2 4.07Å; T499-F503 HydrophobicContact CG2-CE2 3.69Å; T499-F503 WeakPolarHBondContact O-CD2 3.2Å; T499-F503 PolarHBondContact O-N 2.86Å
500	L	96.1	Very high	96.3	Very high	24 Å²	24	67.6 Å²	67.6	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-39.4	178.2	-178.6	64.1	0	0	0	112.6	A496 Q497 S502 D512 Q513 L516	A496-L500 WeakPolarHBondContact O-CB 3.49Å; A496-L500 PolarHBondContact O-N 3.34Å; Q497-L500 WeakPolarHBondContact O-CB 3.47Å; Q497-L500 PolarHBondContact O-N 3.22Å; Q497-L500 VanDerWaalsContact O-N 3.16Å; L500-S502 VanDerWaalsContact C-N 3.34Å; L500-D512 HydrophobicContact CD1-CB 4.08Å; L500-D512 HydrophobicContact CD2-CB 3.8Å; L500-Q513 HydrophobicContact CD2-CG 3.71Å; L500-L516 HydrophobicContact CD2-CD1 3.92Å
501	E	95.1	Very high	96.3	Very high	129 Å²	129	66.4 Å²	66.4	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-72.6	-25.3	178.1	-71.8	172.4	-176.8	0	0	113.5	Q497 A498 T499 F503	Q497-E501 WeakPolarHBondContact CG-OE1 3.37Å; Q497-E501 PolarHBondContact NE2-OE1 3.03Å; Q497-E501 WeakPolarHBondContact O-CG 3.46Å; Q497-E501 PolarHBondContact O-N 2.66Å; A498-E501 PolarHBondContact O-N 2.84Å; T499-E501 VanDerWaalsContact C-N 3.28Å; T499-E501 PolarHBondContact O-N 2.91Å; E501-F503 VanDerWaalsContact C-N 3.34Å
502	S	94.8	Very high	96.3	Very high	88 Å²	88	60.7 Å²	60.7	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-75.8	-21.8	177.1	76.9	0	0	0	0	113.6	A498 T499 L500	A498-S502 PolarHBondContact O-N 2.97Å; T499-S502 PolarHBondContact O-N 3.47Å; T499-S502 VanDerWaalsContact O-N 3.09Å; T499-S502 PolarHBondContact O-OG 3.49Å; L500-S502 VanDerWaalsContact C-N 3.34Å
503	F	90.2	Very high	96.3	Very high	138 Å²	138	62.9 Å²	62.9	61%	0.605	33%	0.325	S	S	*	.	S	Bend	trans	-91.8	153.5	179.5	-76.1	-72.6	0	0	0	112.4	T499 E501	T499-F503 HydrophobicContact CG2-CD2 4.07Å; T499-F503 HydrophobicContact CG2-CE2 3.69Å; T499-F503 WeakPolarHBondContact O-CD2 3.2Å; T499-F503 PolarHBondContact O-N 2.86Å; E501-F503 VanDerWaalsContact C-N 3.34Å
504	P	92.4	Very high	96.3	Very high	105 Å²	105	63 Å²	63	68%	0.682	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-56.4	145.6	172.1	-23.2	33.6	0	0	0	111.8	T506	P504-T506 WeakPolarHBondContact O-CG2 3.48Å; P504-T506 PolarHBondContact O-N 2.78Å
505	R	94.5	Very high	96.3	Very high	212 Å²	212	59.7 Å²	59.7	80%	0.8	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-59.4	135.4	174.9	-65.7	-170.2	175.2	-176.2	-2.4	110.4	T509	R505-T509 WeakPolarHBondContact CA-OG1 3.26Å; R505-T509 HydrophobicContact CG-CG2 4.28Å
506	T	94.5	Very high	96.3	Very high	55 Å²	55	55.2 Å²	55.2	34%	0.337	29%	0.287	S	S	.	.			trans	-119.5	175.8	176.5	72.6	0	0	0	0	109.8	V460 P504 Y508 T509	V460-T506 HydrophobicContact CG1-CG2 4.07Å; V460-T506 HydrophobicContact CG2-CG2 3.94Å; P504-T506 WeakPolarHBondContact O-CG2 3.48Å; P504-T506 PolarHBondContact O-N 2.78Å; T506-Y508 PolarHBondContact O-N 3.06Å; T506-Y508 VanDerWaalsContact O-N 3.16Å; T506-Y508 PolarHBondContact OG1-N 3.24Å; T506-T509 PolarHBondContact N-OG1 3.18Å; T506-T509 PolarHBondContact O-N 3.41Å; T506-T509 PolarHBondContact O-OG1 3.15Å
507	E	94.3	Very high	96.4	Very high	99 Å²	99	55 Å²	55	46%	0.463	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	174.2	66.6	-175.9	162	0	0	113.9	Y549	E507-Y549 HydrophobicContact CG-CE2 4.24Å; E507-Y549 PolarHBondContact OE2-OH 3.48Å
508	Y	96.3	Very high	96.4	Very high	38 Å²	38	53.7 Å²	53.7	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.3	-179.3	-54.5	-77.9	0	0	0	113.8	R453 V460 T506 I510 D511 D512 Y549	R453-Y508 HydrophobicContact CB-CE1 4.08Å; R453-Y508 HydrophobicContact CB-CE2 4.14Å; R453-Y508 VanDerWaalsContact CZ-CG 3.47Å; R453-Y508 VanDerWaalsContact NH2-CG 3.31Å; V460-Y508 HydrophobicContact CB-CD2 3.98Å; V460-Y508 HydrophobicContact CB-CE2 4.33Å; V460-Y508 HydrophobicContact CG1-CD2 4.35Å; V460-Y508 HydrophobicContact CG2-CD2 3.98Å; V460-Y508 HydrophobicContact CG2-CE2 4.14Å; T506-Y508 PolarHBondContact O-N 3.06Å; T506-Y508 VanDerWaalsContact O-N 3.16Å; T506-Y508 PolarHBondContact OG1-N 3.24Å; Y508-I510 VanDerWaalsContact C-N 3.31Å; Y508-I510 PolarHBondContact O-N 2.96Å; Y508-D511 PolarHBondContact O-N 2.89Å; Y508-D511 VanDerWaalsContact O-N 3.16Å; Y508-D512 WeakPolarHBondContact CB-OD2 3.26Å; Y508-D512 WeakPolarHBondContact O-CB 3.46Å; Y508-D512 PolarHBondContact O-N 2.8Å; Y508-Y549 AromaticContact CD1-CD2 3.69Å; Y508-Y549 HydrophobicContact CD1-CD2 3.69Å; Y508-Y549 AromaticContact CD1-CE2 3.74Å; Y508-Y549 HydrophobicContact CD1-CE2 3.74Å; Y508-Y549 HydrophobicContact CD1-CG 4.43Å; Y508-Y549 AromaticContact CE1-CD2 3.84Å; Y508-Y549 HydrophobicContact CE1-CD2 3.84Å; Y508-Y549 HydrophobicContact CE1-CE1 4.39Å; Y508-Y549 AromaticContact CE1-CE2 3.7Å; Y508-Y549 HydrophobicContact CE1-CE2 3.7Å; Y508-Y549 HydrophobicContact CE1-CG 4.28Å; Y508-Y549 AromaticContact CE1-CZ 4Å
509	T	96.7	Very high	96.5	Very high	8 Å²	8	51 Å²	51	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-39.8	-168.1	-66.5	0	0	0	0	113.4	R505 T506 Q513	R505-T509 WeakPolarHBondContact CA-OG1 3.26Å; R505-T509 HydrophobicContact CG-CG2 4.28Å; T506-T509 PolarHBondContact N-OG1 3.18Å; T506-T509 PolarHBondContact O-N 3.41Å; T506-T509 PolarHBondContact O-OG1 3.15Å; T509-Q513 HydrophobicContact CG2-CG 4.39Å; T509-Q513 WeakPolarHBondContact O-CB 3.46Å; T509-Q513 WeakPolarHBondContact O-CG 3.43Å; T509-Q513 PolarHBondContact O-N 2.73Å
510	I	97.9	Very high	96.6	Very high	36 Å²	36	48 Å²	48	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-46.2	178.8	-61.1	-60	0	0	0	111.1	Y508 D512 Q513 C514 N543 Q546 I547	Y508-I510 VanDerWaalsContact C-N 3.31Å; Y508-I510 PolarHBondContact O-N 2.96Å; I510-D512 VanDerWaalsContact C-N 3.33Å; I510-D512 PolarHBondContact O-N 2.91Å; I510-Q513 PolarHBondContact O-N 3.24Å; I510-C514 WeakPolarHBondContact O-CB 3.25Å; I510-C514 PolarHBondContact O-N 2.69Å; I510-C514 PolarHBondContact O-SG 3.38Å; I510-N543 HydrophobicContact CG2-CB 4.16Å; I510-Q546 HydrophobicContact CG1-CB 4.43Å; I510-Q546 HydrophobicContact CG2-CB 3.82Å; I510-I547 HydrophobicContact CG2-CG1 4.41Å
511	D	98.3	Very high	96.8	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-46.1	175.3	-65.6	-125.9	0	0	0	111.1	Y508 C514 L515 I547 K548 Y549 D550 L553	Y508-D511 PolarHBondContact O-N 2.89Å; Y508-D511 VanDerWaalsContact O-N 3.16Å; D511-C514 PolarHBondContact O-N 3.29Å; D511-L515 WeakPolarHBondContact O-CB 3.38Å; D511-L515 PolarHBondContact O-N 3.3Å; D511-I547 WeakPolarHBondContact OD1-CG2 3.47Å; D511-K548 PolarHBondContact OD1-N 3.28Å; D511-K548 PolarHBondContact OD2-N 3.46Å; D511-Y549 WeakPolarHBondContact OD1-CA 3.48Å; D511-Y549 PolarHBondContact OD1-N 2.98Å; D511-D550 HydrophobicContact CB-CB 4.44Å; D511-D550 PolarHBondContact OD1-N 2.91Å; D511-L553 WeakPolarHBondContact O-CD1 3.49Å
512	D	98.4	Very high	96.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-40.2	179.2	-71.5	-28.4	0	0	0	111.8	R453 P463 L500 Y508 I510 L515 L516	R453-D512 IonicContact CZ-OD1 3.75Å; R453-D512 IonicContact CZ-OD2 2.81Å; R453-D512 IonicContact NH1-OD1 2.74Å; R453-D512 PolarHBondContact NH1-OD1 3.15Å; R453-D512 IonicContact NH1-OD2 2.86Å; R453-D512 PolarHBondContact NH1-OD2 2.9Å; R453-D512 VanDerWaalsContact NH1-OD2 3.16Å; R453-D512 IonicContact NH2-OD1 2.96Å; R453-D512 IonicContact NH2-OD2 3.87Å; R453-D512 PolarHBondContact NH2-OD2 3.39Å; P463-D512 WeakPolarHBondContact CD-OD1 3.47Å; P463-D512 HydrophobicContact CG-CB 4.03Å; L500-D512 HydrophobicContact CD1-CB 4.08Å; L500-D512 HydrophobicContact CD2-CB 3.8Å; Y508-D512 WeakPolarHBondContact CB-OD2 3.26Å; Y508-D512 WeakPolarHBondContact O-CB 3.46Å; Y508-D512 PolarHBondContact O-N 2.8Å; I510-D512 VanDerWaalsContact C-N 3.33Å; I510-D512 PolarHBondContact O-N 2.91Å; D512-L515 PolarHBondContact O-N 3.08Å; D512-L516 WeakPolarHBondContact O-CG 3.27Å; D512-L516 PolarHBondContact O-N 3.24Å
513	Q	98.5	Very high	97.1	Very high	52 Å²	52	36.6 Å²	36.6	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-41	173.7	-76.5	174.7	-8.7	0	0	112.2	L500 T509 I510 L516 S517	L500-Q513 HydrophobicContact CD2-CG 3.71Å; T509-Q513 HydrophobicContact CG2-CG 4.39Å; T509-Q513 WeakPolarHBondContact O-CB 3.46Å; T509-Q513 WeakPolarHBondContact O-CG 3.43Å; T509-Q513 PolarHBondContact O-N 2.73Å; I510-Q513 PolarHBondContact O-N 3.24Å; Q513-L516 PolarHBondContact O-N 3Å; Q513-S517 WeakPolarHBondContact O-CB 3.47Å; Q513-S517 PolarHBondContact O-N 3.45Å; Q513-S517 PolarHBondContact O-OG 3.23Å
514	C	98.8	Very high	97.5	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-38.8	176.7	-70.4	0	0	0	0	111.5	I510 D511 S517 L518 V540 I547 L553	I510-C514 WeakPolarHBondContact O-CB 3.25Å; I510-C514 PolarHBondContact O-N 2.69Å; I510-C514 PolarHBondContact O-SG 3.38Å; D511-C514 PolarHBondContact O-N 3.29Å; C514-S517 PolarHBondContact O-N 3.49Å; C514-L518 PolarHBondContact O-N 2.96Å; C514-V540 HydrophobicContact CB-CG1 4.22Å; C514-V540 HydrophobicContact CB-CG2 4.24Å; C514-V540 VanDerWaalsContact O-CG2 3.31Å; C514-V540 WeakPolarHBondContact O-CG2 3.34Å; C514-I547 HydrophobicContact CB-CD1 4.23Å; C514-L553 HydrophobicContact CB-CD1 3.81Å
515	L	98.7	Very high	97.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-53.8	172.5	171.9	61.2	0	0	0	110.9	P463 E468 D511 D512 S517 L518 L519 L553	P463-L515 HydrophobicContact CG-CD2 4.28Å; E468-L515 HydrophobicContact CB-CD1 4.12Å; E468-L515 HydrophobicContact CB-CD2 4.25Å; E468-L515 HydrophobicContact CG-CD1 3.79Å; E468-L515 HydrophobicContact CG-CD2 4.16Å; D511-L515 WeakPolarHBondContact O-CB 3.38Å; D511-L515 PolarHBondContact O-N 3.3Å; D512-L515 PolarHBondContact O-N 3.08Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 PolarHBondContact O-N 2.73Å; L515-L518 PolarHBondContact O-N 3.07Å; L515-L519 HydrophobicContact CD1-CD1 3.94Å; L515-L519 HydrophobicContact CD1-CD2 4.35Å; L515-L519 HydrophobicContact CD1-CG 3.99Å; L515-L519 HydrophobicContact CG-CD1 4.28Å; L515-L519 WeakPolarHBondContact O-CG 2.92Å; L515-L519 PolarHBondContact O-N 3.48Å; L515-L553 HydrophobicContact CB-CD1 4.4Å; L515-L553 HydrophobicContact CB-CD2 4.08Å; L515-L553 HydrophobicContact CD1-CD2 4.07Å
516	L	98.8	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-38.4	179.1	-68.5	177.3	0	0	0	111.6	P463 A464 L493 A496 Q497 L500 D512 Q513 L519 K520	P463-L516 HydrophobicContact CB-CD1 4.15Å; P463-L516 HydrophobicContact CB-CD2 4.25Å; P463-L516 HydrophobicContact CB-CG 4.36Å; P463-L516 HydrophobicContact CG-CD2 4.45Å; P463-L516 HydrophobicContact CG-CG 4.38Å; A464-L516 HydrophobicContact CB-CD2 4.11Å; L493-L516 HydrophobicContact CD2-CD2 3.82Å; A496-L516 HydrophobicContact CB-CD1 4.43Å; A496-L516 HydrophobicContact CB-CD2 4Å; Q497-L516 HydrophobicContact CB-CD1 4.03Å; Q497-L516 VanDerWaalsContact OE1-CD1 3.22Å; L500-L516 HydrophobicContact CD2-CD1 3.92Å; D512-L516 WeakPolarHBondContact O-CG 3.27Å; D512-L516 PolarHBondContact O-N 3.24Å; Q513-L516 PolarHBondContact O-N 3Å; L516-L519 PolarHBondContact O-N 3.25Å; L516-K520 WeakPolarHBondContact O-CB 3.01Å; L516-K520 VanDerWaalsContact O-CG 3.26Å; L516-K520 WeakPolarHBondContact O-CG 3.46Å; L516-K520 PolarHBondContact O-N 3.1Å
517	S	98.8	Very high	98	Very high	6 Å²	6	18.4 Å²	18.4	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-49.5	174.4	-60.8	0	0	0	0	112	Q513 C514 L515 L519 K520 G521 Y536 L539	Q513-S517 WeakPolarHBondContact O-CB 3.47Å; Q513-S517 PolarHBondContact O-N 3.45Å; Q513-S517 PolarHBondContact O-OG 3.23Å; C514-S517 PolarHBondContact O-N 3.49Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 PolarHBondContact O-N 2.73Å; S517-L519 VanDerWaalsContact C-N 3.35Å; S517-L519 PolarHBondContact O-N 3.43Å; S517-K520 PolarHBondContact O-N 3.29Å; S517-G521 PolarHBondContact O-N 3.38Å; S517-Y536 WeakPolarHBondContact O-CB 3.48Å; S517-L539 WeakPolarHBondContact OG-CD2 3.46Å
518	L	98.8	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.8	-47.4	176.5	177.4	64.5	0	0	0	111.8	Y471 C514 L515 G521 L522 F537 V540 L553 N556 A557 E560	Y471-L518 HydrophobicContact CE1-CD2 4.45Å; C514-L518 PolarHBondContact O-N 2.96Å; L515-L518 PolarHBondContact O-N 3.07Å; L518-G521 PolarHBondContact O-N 3Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 2.93Å; L518-L522 VanDerWaalsContact O-N 3.09Å; L518-F537 HydrophobicContact CD1-CD1 4Å; L518-F537 HydrophobicContact CD1-CE1 3.98Å; L518-V540 HydrophobicContact CB-CG2 4.34Å; L518-L553 HydrophobicContact CD2-CD2 3.87Å; L518-N556 HydrophobicContact CD2-CB 4.29Å; L518-A557 HydrophobicContact CD1-CB 4.16Å; L518-E560 HydrophobicContact CD1-CG 4.38Å
519	L	98.8	Very high	98.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-69	-37.6	-177.5	-60.3	-173.6	0	0	0	112.8	L467 Y471 Y476 L493 L515 L516 S517 L522 C523	L467-L519 HydrophobicContact CB-CD1 4.1Å; Y471-L519 HydrophobicContact CG-CD2 4.41Å; Y476-L519 HydrophobicContact CE2-CD2 3.95Å; Y476-L519 WeakPolarHBondContact OH-CD2 3.5Å; L493-L519 HydrophobicContact CD1-CB 3.69Å; L493-L519 HydrophobicContact CD2-CB 3.84Å; L493-L519 HydrophobicContact CD2-CD1 3.83Å; L493-L519 HydrophobicContact CG-CB 4.45Å; L515-L519 HydrophobicContact CD1-CD1 3.94Å; L515-L519 HydrophobicContact CD1-CD2 4.35Å; L515-L519 HydrophobicContact CD1-CG 3.99Å; L515-L519 HydrophobicContact CG-CD1 4.28Å; L515-L519 WeakPolarHBondContact O-CG 2.92Å; L515-L519 PolarHBondContact O-N 3.48Å; L516-L519 PolarHBondContact O-N 3.25Å; S517-L519 VanDerWaalsContact C-N 3.35Å; S517-L519 PolarHBondContact O-N 3.43Å; L519-L522 HydrophobicContact CD2-CD1 4.23Å; L519-L522 WeakPolarHBondContact O-CB 3.14Å; L519-L522 PolarHBondContact O-N 3.03Å; L519-C523 PolarHBondContact O-N 3.4Å; L519-C523 PolarHBondContact O-SG 3.22Å; L519-C523 VanDerWaalsContact O-SG 3.38Å
520	K	98.8	Very high	98.2	Very high	10 Å²	10	24 Å²	24	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-66.5	-42.8	173.2	-72.1	-175.5	-175.5	-163.4	0	111.4	L490 L493 D494 L516 S517 L522 C523 L524 Y536	L490-K520 HydrophobicContact CD1-CB 4.13Å; L490-K520 HydrophobicContact CD1-CD 4.43Å; L490-K520 HydrophobicContact CD1-CG 3.86Å; L493-K520 HydrophobicContact CB-CG 3.87Å; L493-K520 HydrophobicContact CD1-CG 4.1Å; L493-K520 WeakPolarHBondContact O-CE 3.34Å; D494-K520 WeakPolarHBondContact OD1-CE 3.5Å; D494-K520 IonicContact OD1-NZ 2.8Å; D494-K520 PolarHBondContact OD1-NZ 3.16Å; L516-K520 WeakPolarHBondContact O-CB 3.01Å; L516-K520 VanDerWaalsContact O-CG 3.26Å; L516-K520 WeakPolarHBondContact O-CG 3.46Å; L516-K520 PolarHBondContact O-N 3.1Å; S517-K520 PolarHBondContact O-N 3.29Å; K520-L522 VanDerWaalsContact C-N 3.26Å; K520-L522 PolarHBondContact O-N 3.21Å; K520-C523 WeakPolarHBondContact O-CB 3.48Å; K520-C523 PolarHBondContact O-N 3.01Å; K520-C523 VanDerWaalsContact O-N 3.08Å; K520-L524 WeakPolarHBondContact O-CG 3.04Å; K520-L524 PolarHBondContact O-N 3.41Å; K520-Y536 HydrophobicContact CB-CD1 4.46Å; K520-Y536 HydrophobicContact CB-CD2 4.41Å; K520-Y536 HydrophobicContact CB-CE1 4.4Å; K520-Y536 HydrophobicContact CB-CE2 4.36Å; K520-Y536 HydrophobicContact CB-CG 4.46Å; K520-Y536 HydrophobicContact CD-CE1 4.18Å
521	G	98.7	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.4	-40	174.9	0	0	0	0	0	112.4	S517 L518 L524 K525 A533	S517-G521 PolarHBondContact O-N 3.38Å; L518-G521 PolarHBondContact O-N 3Å; G521-L524 PolarHBondContact O-N 3.47Å; G521-K525 WeakPolarHBondContact O-CB 3.41Å; G521-K525 PolarHBondContact O-N 3.31Å; G521-A533 VanDerWaalsContact O-CB 3.29Å; G521-A533 WeakPolarHBondContact O-CB 3.37Å
522	L	98.3	Very high	98.1	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-45	173	-75.5	161.8	0	0	0	113	Y471 Y476 L518 L519 K520 K525 H526 F537 E560	Y471-L522 HydrophobicContact CD2-CD1 3.35Å; Y471-L522 HydrophobicContact CE2-CD1 3.75Å; Y471-L522 HydrophobicContact CE2-CD2 4.48Å; Y471-L522 HydrophobicContact CG-CD1 4.24Å; Y476-L522 HydrophobicContact CD1-CB 3.65Å; Y476-L522 HydrophobicContact CD1-CD1 4.35Å; Y476-L522 HydrophobicContact CD2-CD1 4.08Å; Y476-L522 HydrophobicContact CE1-CB 4.12Å; Y476-L522 HydrophobicContact CE2-CD1 4.32Å; Y476-L522 HydrophobicContact CG-CB 4.02Å; Y476-L522 HydrophobicContact CG-CD1 4.1Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 2.93Å; L518-L522 VanDerWaalsContact O-N 3.09Å; L519-L522 HydrophobicContact CD2-CD1 4.23Å; L519-L522 WeakPolarHBondContact O-CB 3.14Å; L519-L522 PolarHBondContact O-N 3.03Å; K520-L522 VanDerWaalsContact C-N 3.26Å; K520-L522 PolarHBondContact O-N 3.21Å; L522-K525 WeakPolarHBondContact O-CB 3.25Å; L522-K525 PolarHBondContact O-N 3.4Å; L522-H526 PolarHBondContact O-CD2 2.96Å; L522-H526 VanDerWaalsContact O-CD2 3.24Å; L522-H526 PolarHBondContact O-N 2.96Å; L522-H526 VanDerWaalsContact O-N 3.14Å; L522-F537 HydrophobicContact CG-CE1 4.48Å; L522-E560 HydrophobicContact CD2-CB 4.44Å; L522-E560 HydrophobicContact CD2-CG 3.85Å
523	C	98.8	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-49.1	176.7	-63.4	0	0	0	0	111.1	T486 L490 L519 K520 K525 H526 L527	T486-C523 HydrophobicContact CG2-CB 3.88Å; T486-C523 WeakPolarHBondContact CG2-O 3.47Å; L490-C523 HydrophobicContact CB-CB 4.01Å; L490-C523 HydrophobicContact CD1-CB 4.16Å; L490-C523 HydrophobicContact CG-CB 4.48Å; L519-C523 PolarHBondContact O-N 3.4Å; L519-C523 PolarHBondContact O-SG 3.22Å; L519-C523 VanDerWaalsContact O-SG 3.38Å; K520-C523 WeakPolarHBondContact O-CB 3.48Å; K520-C523 PolarHBondContact O-N 3.01Å; K520-C523 VanDerWaalsContact O-N 3.08Å; C523-K525 VanDerWaalsContact C-N 3.31Å; C523-K525 PolarHBondContact O-N 2.9Å; C523-H526 PolarHBondContact O-N 3.29Å; C523-H526 VanDerWaalsContact O-N 3.14Å; C523-L527 VanDerWaalsContact O-CG 3.31Å; C523-L527 WeakPolarHBondContact O-CG 3.3Å; C523-L527 PolarHBondContact O-N 3.39Å
524	L	98.6	Very high	98.1	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-39	-179.5	-71.3	164.3	0	0	0	111.8	L490 K520 G521 H526 L527 G528 H529 E532 A533 Y536	L490-L524 HydrophobicContact CD2-CD2 4.12Å; L490-L524 HydrophobicContact CD2-CG 4.49Å; K520-L524 WeakPolarHBondContact O-CG 3.04Å; K520-L524 PolarHBondContact O-N 3.41Å; G521-L524 PolarHBondContact O-N 3.47Å; L524-H526 PolarHBondContact O-N 3.42Å; L524-L527 CarbonylContact O-C 3.58Å; L524-L527 PolarHBondContact O-N 3.15Å; L524-G528 PolarHBondContact O-N 2.97Å; L524-G528 VanDerWaalsContact O-N 3.08Å; L524-H529 HydrophobicContact CB-CB 4.02Å; L524-H529 HydrophobicContact CD2-CB 3.77Å; L524-H529 PolarHBondContact O-N 3.01Å; L524-E532 HydrophobicContact CD1-CB 3.96Å; L524-E532 HydrophobicContact CD2-CB 4.47Å; L524-A533 HydrophobicContact CB-CB 4.01Å; L524-Y536 HydrophobicContact CD1-CD2 3.37Å; L524-Y536 HydrophobicContact CD1-CE2 3.33Å
525	K	97.5	Very high	98.1	Very high	16 Å²	16	40 Å²	40	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-55.1	-51.7	171.7	170.5	179.9	178.9	-168.3	0	110.9	G521 L522 C523 L527 G528 A533 L564 E567	G521-K525 WeakPolarHBondContact O-CB 3.41Å; G521-K525 PolarHBondContact O-N 3.31Å; L522-K525 WeakPolarHBondContact O-CB 3.25Å; L522-K525 PolarHBondContact O-N 3.4Å; C523-K525 VanDerWaalsContact C-N 3.31Å; C523-K525 PolarHBondContact O-N 2.9Å; K525-L527 VanDerWaalsContact C-N 3.32Å; K525-L527 PolarHBondContact O-N 3.01Å; K525-G528 PolarHBondContact O-N 3.29Å; K525-G528 VanDerWaalsContact O-N 3.09Å; K525-A533 HydrophobicContact CB-CB 3.94Å; K525-L564 HydrophobicContact CD-CB 4.37Å; K525-L564 HydrophobicContact CG-CD1 4.18Å; K525-E567 WeakPolarHBondContact CE-OE1 3.49Å; K525-E567 WeakPolarHBondContact CE-OE2 3.15Å; K525-E567 IonicContact NZ-OE1 2.69Å; K525-E567 PolarHBondContact NZ-OE1 3.07Å; K525-E567 IonicContact NZ-OE2 3.17Å
526	H	96.6	Very high	98.1	Very high	61 Å²	61	43 Å²	43	28%	0.282	21%	0.205	S	C	.	.	H	α-helix	trans	-69.2	-27.8	-179.6	-79.3	-65	0	0	0	113.7	Y476 T486 L522 C523 L524 G528	Y476-H526 PolarHBondContact O-CD2 3.41Å; Y476-H526 PolarHBondContact O-NE2 3.06Å; T486-H526 HydrophobicContact CG2-CB 4.26Å; L522-H526 PolarHBondContact O-CD2 2.96Å; L522-H526 VanDerWaalsContact O-CD2 3.24Å; L522-H526 PolarHBondContact O-N 2.96Å; L522-H526 VanDerWaalsContact O-N 3.14Å; C523-H526 PolarHBondContact O-N 3.29Å; C523-H526 VanDerWaalsContact O-N 3.14Å; L524-H526 PolarHBondContact O-N 3.42Å; H526-G528 PolarHBondContact O-N 2.95Å
527	L	97.9	Very high	98.1	Very high	38 Å²	38	43 Å²	43	20%	0.199	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.5	172.2	-66.8	169.8	0	0	0	113.3	K483 T486 E487 L490 C523 L524 K525	K483-L527 HydrophobicContact CG-CD2 3.87Å; T486-L527 HydrophobicContact CG2-CD1 4.07Å; T486-L527 HydrophobicContact CG2-CD2 3.97Å; T486-L527 HydrophobicContact CG2-CG 3.64Å; E487-L527 HydrophobicContact CG-CD1 4.2Å; E487-L527 HydrophobicContact CG-CD2 3.88Å; L490-L527 HydrophobicContact CD2-CD1 3.94Å; C523-L527 VanDerWaalsContact O-CG 3.31Å; C523-L527 WeakPolarHBondContact O-CG 3.3Å; C523-L527 PolarHBondContact O-N 3.39Å; L524-L527 CarbonylContact O-C 3.58Å; L524-L527 PolarHBondContact O-N 3.15Å; K525-L527 VanDerWaalsContact C-N 3.32Å; K525-L527 PolarHBondContact O-N 3.01Å
528	G	96.9	Very high	98	Very high	42 Å²	42	45.2 Å²	45.2	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	5.5	-179.2	0	0	0	0	0	114.9	L524 K525 H526 R530	L524-G528 PolarHBondContact O-N 2.97Å; L524-G528 VanDerWaalsContact O-N 3.08Å; K525-G528 PolarHBondContact O-N 3.29Å; K525-G528 VanDerWaalsContact O-N 3.09Å; H526-G528 PolarHBondContact O-N 2.95Å; G528-R530 PolarHBondContact O-N 3.31Å
529	H	97.8	Very high	98	Very high	90 Å²	90	48.2 Å²	48.2	42%	0.417	23%	0.234	S	C	.	.			trans	-79.1	67.6	174.1	-67.2	-89.6	0	0	0	110.6	L524 E531 E532 A533	L524-H529 HydrophobicContact CB-CB 4.02Å; L524-H529 HydrophobicContact CD2-CB 3.77Å; L524-H529 PolarHBondContact O-N 3.01Å; H529-E531 PolarHBondContact O-N 3.43Å; H529-E532 HydrophobicContact CB-CB 4.31Å; H529-E532 IonicContact CE1-OE1 3.97Å; H529-E532 IonicContact CG-OE1 3.52Å; H529-E532 IonicContact ND1-OE1 2.93Å; H529-E532 PolarHBondContact ND1-OE1 3.49Å; H529-E532 PolarHBondContact O-N 2.98Å; H529-A533 WeakPolarHBondContact O-CB 3.5Å; H529-A533 PolarHBondContact O-N 3.45Å
530	R	96.2	Very high	98	Very high	131 Å²	131	48.1 Å²	48.1	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-45.3	-167.7	-67.2	-177.8	179.4	116	-1.2	114	G528 A533 E534 L564	G528-R530 PolarHBondContact O-N 3.31Å; R530-A533 PolarHBondContact O-N 3.32Å; R530-E534 WeakPolarHBondContact O-CB 3.29Å; R530-E534 PolarHBondContact O-N 2.66Å; R530-L564 HydrophobicContact CB-CD1 4.33Å; R530-L564 HydrophobicContact CG-CD1 4.08Å
531	E	97.1	Very high	98	Very high	171 Å²	171	49.6 Å²	49.6	80%	0.799	24%	0.242	S	C	*	.	H	α-helix	trans	-66.4	-41.2	-178.7	-65.1	-179.8	-178.3	0	0	111.3	H529 E534 H535	H529-E531 PolarHBondContact O-N 3.43Å; E531-E534 PolarHBondContact O-N 2.77Å; E531-H535 WeakPolarHBondContact O-CB 3.25Å; E531-H535 PolarHBondContact O-N 3.16Å
532	E	98.1	Very high	97.9	Very high	97 Å²	97	54 Å²	54	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.4	-59.4	177.7	-109.5	0	0	111.1	L524 H529 E534 H535 Y536	L524-E532 HydrophobicContact CD1-CB 3.96Å; L524-E532 HydrophobicContact CD2-CB 4.47Å; H529-E532 HydrophobicContact CB-CB 4.31Å; H529-E532 IonicContact CE1-OE1 3.97Å; H529-E532 IonicContact CG-OE1 3.52Å; H529-E532 IonicContact ND1-OE1 2.93Å; H529-E532 PolarHBondContact ND1-OE1 3.49Å; H529-E532 PolarHBondContact O-N 2.98Å; E532-E534 PolarHBondContact O-N 3.15Å; E532-H535 WeakPolarHBondContact O-CB 3.3Å; E532-H535 PolarHBondContact O-N 3.5Å; E532-Y536 VanDerWaalsContact O-CD2 3.24Å; E532-Y536 WeakPolarHBondContact O-CD2 3.44Å; E532-Y536 PolarHBondContact O-N 2.86Å
533	A	98.5	Very high	97.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.7	0	0	0	0	0	112.2	G521 L524 K525 H529 R530 H535 Y536 F537 L564	G521-A533 VanDerWaalsContact O-CB 3.29Å; G521-A533 WeakPolarHBondContact O-CB 3.37Å; L524-A533 HydrophobicContact CB-CB 4.01Å; K525-A533 HydrophobicContact CB-CB 3.94Å; H529-A533 WeakPolarHBondContact O-CB 3.5Å; H529-A533 PolarHBondContact O-N 3.45Å; R530-A533 PolarHBondContact O-N 3.32Å; A533-H535 VanDerWaalsContact C-N 3.33Å; A533-H535 PolarHBondContact O-N 3.44Å; A533-Y536 PolarHBondContact O-N 3.19Å; A533-F537 HydrophobicContact CB-CE2 4.3Å; A533-F537 VanDerWaalsContact O-CD2 3.24Å; A533-F537 WeakPolarHBondContact O-CD2 3.49Å; A533-F537 WeakPolarHBondContact O-CG 3.47Å; A533-F537 PolarHBondContact O-N 2.93Å; A533-L564 HydrophobicContact CB-CD2 4.06Å
534	E	98.1	Very high	97.9	Very high	40 Å²	40	59.1 Å²	59.1	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-38.9	176.2	178.7	159.9	-155.8	0	0	112.4	R530 E531 E532 Y536 F537 T538 H561 L564 R570	R530-E534 WeakPolarHBondContact O-CB 3.29Å; R530-E534 PolarHBondContact O-N 2.66Å; E531-E534 PolarHBondContact O-N 2.77Å; E532-E534 PolarHBondContact O-N 3.15Å; E534-Y536 PolarHBondContact O-N 2.97Å; E534-F537 PolarHBondContact O-N 2.96Å; E534-T538 WeakPolarHBondContact O-CB 3.33Å; E534-T538 PolarHBondContact O-N 2.69Å; E534-T538 PolarHBondContact O-OG1 2.74Å; E534-H561 WeakPolarHBondContact CG-NE2 2.99Å; E534-H561 IonicContact OE1-CD2 2.82Å; E534-H561 IonicContact OE1-CE1 2.98Å; E534-H561 IonicContact OE1-NE2 2.64Å; E534-H561 PolarHBondContact OE1-NE2 3.26Å; E534-L564 HydrophobicContact CB-CD2 4.07Å; E534-R570 IonicContact OE1-CZ 3.53Å; E534-R570 IonicContact OE1-NH1 3.02Å; E534-R570 PolarHBondContact OE1-NH1 3.08Å; E534-R570 IonicContact OE1-NH2 3.07Å; E534-R570 PolarHBondContact OE1-NH2 3.1Å; E534-R570 VanDerWaalsContact OE1-NH2 3.07Å; E534-R570 IonicContact OE2-CZ 3.69Å; E534-R570 IonicContact OE2-NH1 3.85Å; E534-R570 IonicContact OE2-NH2 2.74Å; E534-R570 PolarHBondContact OE2-NH2 3.26Å
535	H	98.3	Very high	97.8	Very high	121 Å²	121	64.9 Å²	64.9	56%	0.56	33%	0.333	S	S	*	.	H	α-helix	trans	-58.5	-47.4	173.2	179.3	73.9	0	0	0	111.6	E531 E532 A533 T538 L539	E531-H535 WeakPolarHBondContact O-CB 3.25Å; E531-H535 PolarHBondContact O-N 3.16Å; E532-H535 WeakPolarHBondContact O-CB 3.3Å; E532-H535 PolarHBondContact O-N 3.5Å; A533-H535 VanDerWaalsContact C-N 3.33Å; A533-H535 PolarHBondContact O-N 3.44Å; H535-T538 PolarHBondContact O-N 2.87Å; H535-L539 PolarHBondContact O-N 2.81Å
536	Y	98.6	Very high	97.8	Very high	64 Å²	64	68.8 Å²	68.8	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-39.4	178.6	-84.8	-66.5	0	0	0	113.4	S517 K520 L524 E532 A533 E534 T538 L539 V540	S517-Y536 WeakPolarHBondContact O-CB 3.48Å; K520-Y536 HydrophobicContact CB-CD1 4.46Å; K520-Y536 HydrophobicContact CB-CD2 4.41Å; K520-Y536 HydrophobicContact CB-CE1 4.4Å; K520-Y536 HydrophobicContact CB-CE2 4.36Å; K520-Y536 HydrophobicContact CB-CG 4.46Å; K520-Y536 HydrophobicContact CD-CE1 4.18Å; L524-Y536 HydrophobicContact CD1-CD2 3.37Å; L524-Y536 HydrophobicContact CD1-CE2 3.33Å; E532-Y536 VanDerWaalsContact O-CD2 3.24Å; E532-Y536 WeakPolarHBondContact O-CD2 3.44Å; E532-Y536 PolarHBondContact O-N 2.86Å; A533-Y536 PolarHBondContact O-N 3.19Å; E534-Y536 PolarHBondContact O-N 2.97Å; Y536-T538 VanDerWaalsContact C-N 3.35Å; Y536-L539 WeakPolarHBondContact O-CB 3.25Å; Y536-L539 PolarHBondContact O-N 3.21Å; Y536-V540 PolarHBondContact O-N 3.3Å
537	F	98.6	Very high	97.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-42.9	173.8	-59.6	-38	0	0	0	111.2	L518 L522 A533 E534 L539 V540 L541 E560 H561 L564	L518-F537 HydrophobicContact CD1-CD1 4Å; L518-F537 HydrophobicContact CD1-CE1 3.98Å; L522-F537 HydrophobicContact CG-CE1 4.48Å; A533-F537 HydrophobicContact CB-CE2 4.3Å; A533-F537 VanDerWaalsContact O-CD2 3.24Å; A533-F537 WeakPolarHBondContact O-CD2 3.49Å; A533-F537 WeakPolarHBondContact O-CG 3.47Å; A533-F537 PolarHBondContact O-N 2.93Å; E534-F537 PolarHBondContact O-N 2.96Å; F537-L539 VanDerWaalsContact C-N 3.3Å; F537-L539 PolarHBondContact O-N 2.94Å; F537-V540 WeakPolarHBondContact O-CB 3.42Å; F537-V540 PolarHBondContact O-N 3.26Å; F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.4Å; F537-E560 HydrophobicContact CD1-CB 4.36Å; F537-E560 HydrophobicContact CE1-CB 3.82Å; F537-E560 HydrophobicContact CE2-CB 4.13Å; F537-E560 HydrophobicContact CZ-CB 3.69Å; F537-H561 HydrophobicContact CB-CB 4.04Å; F537-H561 HydrophobicContact CD2-CB 3.95Å; F537-H561 HydrophobicContact CG-CB 4.28Å; F537-L564 HydrophobicContact CD2-CD2 4.35Å; F537-L564 HydrophobicContact CE2-CD2 4.09Å
538	T	98.1	Very high	97.8	Very high	53 Å²	53	70.3 Å²	70.3	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-38.4	176.5	-58.1	0	0	0	0	111.8	E534 H535 Y536 V540 L541 C542	E534-T538 WeakPolarHBondContact O-CB 3.33Å; E534-T538 PolarHBondContact O-N 2.69Å; E534-T538 PolarHBondContact O-OG1 2.74Å; H535-T538 PolarHBondContact O-N 2.87Å; Y536-T538 VanDerWaalsContact C-N 3.35Å; T538-V540 VanDerWaalsContact C-N 3.26Å; T538-V540 PolarHBondContact O-N 3.2Å; T538-L541 WeakPolarHBondContact O-CB 3.47Å; T538-L541 PolarHBondContact O-N 3.08Å; T538-C542 PolarHBondContact O-N 3.06Å; T538-C542 PolarHBondContact O-SG 2.79Å; T538-C542 VanDerWaalsContact O-SG 3.39Å
539	L	98.2	Very high	97.8	Very high	62 Å²	62	72.9 Å²	72.9	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-38.3	176.9	-177.4	61.4	0	0	0	112.2	S517 H535 Y536 F537 N543	S517-L539 WeakPolarHBondContact OG-CD2 3.46Å; H535-L539 PolarHBondContact O-N 2.81Å; Y536-L539 WeakPolarHBondContact O-CB 3.25Å; Y536-L539 PolarHBondContact O-N 3.21Å; F537-L539 VanDerWaalsContact C-N 3.3Å; F537-L539 PolarHBondContact O-N 2.94Å; L539-N543 PolarHBondContact O-N 3.31Å; L539-N543 PolarHBondContact O-ND2 3.42Å
540	V	98.7	Very high	97.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-44.6	173.7	179.8	0	0	0	0	110.8	C514 L518 Y536 F537 T538 N543 E544 I547 L553 A557	C514-V540 HydrophobicContact CB-CG1 4.22Å; C514-V540 HydrophobicContact CB-CG2 4.24Å; C514-V540 VanDerWaalsContact O-CG2 3.31Å; C514-V540 WeakPolarHBondContact O-CG2 3.34Å; L518-V540 HydrophobicContact CB-CG2 4.34Å; Y536-V540 PolarHBondContact O-N 3.3Å; F537-V540 WeakPolarHBondContact O-CB 3.42Å; F537-V540 PolarHBondContact O-N 3.26Å; T538-V540 VanDerWaalsContact C-N 3.26Å; T538-V540 PolarHBondContact O-N 3.2Å; V540-N543 PolarHBondContact O-N 3.5Å; V540-E544 PolarHBondContact O-N 3.29Å; V540-I547 HydrophobicContact CG1-CD1 4.43Å; V540-L553 HydrophobicContact CG1-CB 4.09Å; V540-A557 HydrophobicContact CB-CB 3.87Å; V540-A557 HydrophobicContact CG1-CB 3.83Å; V540-A557 HydrophobicContact CG2-CB 4.39Å
541	L	97.9	Very high	97.8	Very high	41 Å²	41	67.9 Å²	67.9	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-41.9	179.9	-52.8	-179.2	0	0	0	111.9	F537 T538 N543 E544 V554 A557 L558	F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.4Å; T538-L541 WeakPolarHBondContact O-CB 3.47Å; T538-L541 PolarHBondContact O-N 3.08Å; L541-N543 PolarHBondContact O-N 3.33Å; L541-N543 VanDerWaalsContact O-N 3.16Å; L541-E544 VanDerWaalsContact O-CB 3.3Å; L541-E544 WeakPolarHBondContact O-CB 3.3Å; L541-E544 PolarHBondContact O-N 3.02Å; L541-E544 VanDerWaalsContact O-N 3.11Å; L541-V554 HydrophobicContact CD2-CG1 3.82Å; L541-A557 HydrophobicContact CD2-CB 4.12Å; L541-L558 HydrophobicContact CD1-CD2 3.71Å; L541-L558 HydrophobicContact CD2-CD2 3.76Å; L541-L558 HydrophobicContact CD2-CG 3.68Å; L541-L558 HydrophobicContact CG-CD2 4.4Å
542	C	97.9	Very high	97.8	Very high	91 Å²	91	59.8 Å²	59.8	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-21.9	177.3	-70.1	0	0	0	0	113.3	T538	T538-C542 PolarHBondContact O-N 3.06Å; T538-C542 PolarHBondContact O-SG 2.79Å; T538-C542 VanDerWaalsContact O-SG 3.39Å
543	N	97.9	Very high	97.8	Very high	31 Å²	31	55.2 Å²	55.2	17%	0.166	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8.5	178.8	-72.3	-77.7	0	0	0	113.4	I510 L539 V540 L541 T545 Q546 I547	I510-N543 HydrophobicContact CG2-CB 4.16Å; L539-N543 PolarHBondContact O-N 3.31Å; L539-N543 PolarHBondContact O-ND2 3.42Å; V540-N543 PolarHBondContact O-N 3.5Å; L541-N543 PolarHBondContact O-N 3.33Å; L541-N543 VanDerWaalsContact O-N 3.16Å; N543-T545 VanDerWaalsContact C-N 3.3Å; N543-T545 PolarHBondContact O-N 2.99Å; N543-T545 VanDerWaalsContact O-N 3.16Å; N543-Q546 WeakPolarHBondContact O-CB 3.28Å; N543-Q546 PolarHBondContact O-N 3.16Å; N543-Q546 PolarHBondContact OD1-NE2 2.87Å; N543-I547 PolarHBondContact O-N 3.27Å
544	E	97.4	Very high	97.8	Very high	80 Å²	80	55.4 Å²	55.4	37%	0.374	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-48.1	-47.6	-176.7	169.3	171.5	178	0	0	113.3	V540 L541 Q546 I547 V554 Y585	V540-E544 PolarHBondContact O-N 3.29Å; L541-E544 VanDerWaalsContact O-CB 3.3Å; L541-E544 WeakPolarHBondContact O-CB 3.3Å; L541-E544 PolarHBondContact O-N 3.02Å; L541-E544 VanDerWaalsContact O-N 3.11Å; E544-Q546 PolarHBondContact O-N 3.35Å; E544-I547 PolarHBondContact O-N 3.15Å; E544-V554 HydrophobicContact CB-CG1 4.38Å; E544-V554 HydrophobicContact CB-CG2 4.03Å; E544-V554 HydrophobicContact CG-CG1 4.25Å; E544-V554 HydrophobicContact CG-CG2 4.05Å; E544-Y585 VanDerWaalsContact OE1-CE1 3.25Å; E544-Y585 WeakPolarHBondContact OE1-CE1 3.14Å; E544-Y585 PolarHBondContact OE1-OH 3.39Å; E544-Y585 PolarHBondContact OE2-OH 2.96Å
545	T	97.3	Very high	97.8	Very high	134 Å²	134	53.5 Å²	53.5	82%	0.822	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-71.7	-12.5	-176.8	57	0	0	0	0	113.9	N543	N543-T545 VanDerWaalsContact C-N 3.3Å; N543-T545 PolarHBondContact O-N 2.99Å; N543-T545 VanDerWaalsContact O-N 3.16Å
546	Q	97.8	Very high	97.8	Very high	97 Å²	97	47.8 Å²	47.8	45%	0.453	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-100.7	-13.7	-179.7	-64.2	-179.7	77.8	0	0	112.9	I510 N543 E544 K548	I510-Q546 HydrophobicContact CG1-CB 4.43Å; I510-Q546 HydrophobicContact CG2-CB 3.82Å; N543-Q546 WeakPolarHBondContact O-CB 3.28Å; N543-Q546 PolarHBondContact O-N 3.16Å; N543-Q546 PolarHBondContact OD1-NE2 2.87Å; E544-Q546 PolarHBondContact O-N 3.35Å; Q546-K548 PolarHBondContact O-N 2.8Å
547	I	97.9	Very high	97.8	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.051	23%	0.23	C	C	.	.			trans	-70.7	124.3	176.7	-68	170.1	0	0	0	109.6	I510 D511 C514 V540 N543 E544 H551 L553 V554	I510-I547 HydrophobicContact CG2-CG1 4.41Å; D511-I547 WeakPolarHBondContact OD1-CG2 3.47Å; C514-I547 HydrophobicContact CB-CD1 4.23Å; V540-I547 HydrophobicContact CG1-CD1 4.43Å; N543-I547 PolarHBondContact O-N 3.27Å; E544-I547 PolarHBondContact O-N 3.15Å; I547-H551 PolarHBondContact O-CE1 3.47Å; I547-L553 HydrophobicContact CD1-CB 4.34Å; I547-V554 HydrophobicContact CD1-CG2 3.62Å
548	K	96.5	Very high	97.8	Very high	122 Å²	122	45.1 Å²	45.1	53%	0.53	23%	0.232	S	C	.	.			trans	-102	-31.9	-172.8	-71.2	-175.8	-179	178.4	0	114.9	D511 Q546 H551	D511-K548 PolarHBondContact OD1-N 3.28Å; D511-K548 PolarHBondContact OD2-N 3.46Å; Q546-K548 PolarHBondContact O-N 2.8Å; K548-H551 PolarHBondContact O-CE1 2.85Å; K548-H551 PolarHBondContact O-NE2 3.23Å
549	Y	96.1	Very high	97.8	Very high	96 Å²	96	42.6 Å²	42.6	38%	0.376	22%	0.217	S	C	.	.	S	Bend	trans	-126	-48.4	-169.3	-53.9	-82.5	0	0	0	112.1	E507 Y508 D511 H551	E507-Y549 HydrophobicContact CG-CE2 4.24Å; E507-Y549 PolarHBondContact OE2-OH 3.48Å; Y508-Y549 AromaticContact CD1-CD2 3.69Å; Y508-Y549 HydrophobicContact CD1-CD2 3.69Å; Y508-Y549 AromaticContact CD1-CE2 3.74Å; Y508-Y549 HydrophobicContact CD1-CE2 3.74Å; Y508-Y549 HydrophobicContact CD1-CG 4.43Å; Y508-Y549 AromaticContact CE1-CD2 3.84Å; Y508-Y549 HydrophobicContact CE1-CD2 3.84Å; Y508-Y549 HydrophobicContact CE1-CE1 4.39Å; Y508-Y549 AromaticContact CE1-CE2 3.7Å; Y508-Y549 HydrophobicContact CE1-CE2 3.7Å; Y508-Y549 HydrophobicContact CE1-CG 4.28Å; Y508-Y549 AromaticContact CE1-CZ 4Å; D511-Y549 WeakPolarHBondContact OD1-CA 3.48Å; D511-Y549 PolarHBondContact OD1-N 2.98Å; Y549-H551 VanDerWaalsContact C-N 3.26Å; Y549-H551 PolarHBondContact O-N 2.86Å; Y549-H551 VanDerWaalsContact O-N 3.07Å
550	D	96.6	Very high	97.7	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	20%	0.203	C	C	.	.			trans	-91.2	55.3	-171.5	-73.7	-35	0	0	0	111.6	K450 D511 Y552 L553	K450-D550 IonicContact NZ-OD1 2.77Å; K450-D550 IonicContact NZ-OD2 3.42Å; K450-D550 PolarHBondContact NZ-OD2 3.35Å; D511-D550 HydrophobicContact CB-CB 4.44Å; D511-D550 PolarHBondContact OD1-N 2.91Å; D550-Y552 HydrophobicContact CB-CD1 4Å; D550-Y552 HydrophobicContact CB-CE1 3.68Å; D550-Y552 PolarHBondContact O-N 3.31Å; D550-L553 HydrophobicContact CB-CD1 3.69Å; D550-L553 HydrophobicContact CB-CG 4Å; D550-L553 WeakPolarHBondContact O-CB 3.24Å; D550-L553 VanDerWaalsContact O-CG 3.25Å; D550-L553 WeakPolarHBondContact O-CG 3.35Å; D550-L553 PolarHBondContact O-N 3.48Å
551	H	97.4	Very high	97.7	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.468	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.8	179.7	-54.2	-56.2	0	0	0	114.6	I547 K548 Y549 L553 P555	I547-H551 PolarHBondContact O-CE1 3.47Å; K548-H551 PolarHBondContact O-CE1 2.85Å; K548-H551 PolarHBondContact O-NE2 3.23Å; Y549-H551 VanDerWaalsContact C-N 3.26Å; Y549-H551 PolarHBondContact O-N 2.86Å; Y549-H551 VanDerWaalsContact O-N 3.07Å; H551-L553 PolarHBondContact O-N 2.92Å; H551-P555 WeakPolarHBondContact O-CD 3.31Å
552	Y	97.6	Very high	97.7	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.4	172.6	79.7	-93.3	0	0	0	112.1	F446 E468 D550 V554 P555 N556 S589	F446-Y552 HydrophobicContact CE2-CD1 4.02Å; F446-Y552 AromaticContact CE2-CE1 3.62Å; F446-Y552 HydrophobicContact CE2-CE1 3.62Å; F446-Y552 HydrophobicContact CE2-CE2 4.47Å; F446-Y552 AromaticContact CE2-CZ 3.9Å; F446-Y552 HydrophobicContact CZ-CE1 4.06Å; E468-Y552 WeakPolarHBondContact CG-OH 3.19Å; E468-Y552 PolarHBondContact OE1-OH 3.21Å; D550-Y552 HydrophobicContact CB-CD1 4Å; D550-Y552 HydrophobicContact CB-CE1 3.68Å; D550-Y552 PolarHBondContact O-N 3.31Å; Y552-V554 PolarHBondContact O-N 3.2Å; Y552-P555 WeakPolarHBondContact O-CD 3.2Å; Y552-P555 WeakPolarHBondContact O-CG 3.34Å; Y552-N556 WeakPolarHBondContact O-CB 3.27Å; Y552-N556 PolarHBondContact O-N 3.02Å; Y552-N556 PolarHBondContact O-ND2 3.32Å; Y552-S589 WeakPolarHBondContact CB-O 3.3Å
553	L	98.5	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-44.9	-175.8	-70.2	169.6	0	0	0	112.2	D511 C514 L515 L518 V540 I547 D550 H551 N556 A557	D511-L553 WeakPolarHBondContact O-CD1 3.49Å; C514-L553 HydrophobicContact CB-CD1 3.81Å; L515-L553 HydrophobicContact CB-CD1 4.4Å; L515-L553 HydrophobicContact CB-CD2 4.08Å; L515-L553 HydrophobicContact CD1-CD2 4.07Å; L518-L553 HydrophobicContact CD2-CD2 3.87Å; V540-L553 HydrophobicContact CG1-CB 4.09Å; I547-L553 HydrophobicContact CD1-CB 4.34Å; D550-L553 HydrophobicContact CB-CD1 3.69Å; D550-L553 HydrophobicContact CB-CG 4Å; D550-L553 WeakPolarHBondContact O-CB 3.24Å; D550-L553 VanDerWaalsContact O-CG 3.25Å; D550-L553 WeakPolarHBondContact O-CG 3.35Å; D550-L553 PolarHBondContact O-N 3.48Å; H551-L553 PolarHBondContact O-N 2.92Å; L553-N556 PolarHBondContact O-N 3.48Å; L553-A557 WeakPolarHBondContact O-CB 3.44Å; L553-A557 PolarHBondContact O-N 3.27Å
554	V	98.4	Very high	97.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-55.5	-176.9	-172.8	0	0	0	0	113.1	L541 E544 I547 Y552 N556 A557 L558 Y585	L541-V554 HydrophobicContact CD2-CG1 3.82Å; E544-V554 HydrophobicContact CB-CG1 4.38Å; E544-V554 HydrophobicContact CB-CG2 4.03Å; E544-V554 HydrophobicContact CG-CG1 4.25Å; E544-V554 HydrophobicContact CG-CG2 4.05Å; I547-V554 HydrophobicContact CD1-CG2 3.62Å; Y552-V554 PolarHBondContact O-N 3.2Å; V554-N556 PolarHBondContact O-N 3.27Å; V554-A557 PolarHBondContact O-N 3.13Å; V554-A557 VanDerWaalsContact O-N 3.17Å; V554-L558 PolarHBondContact O-N 3.48Å; V554-Y585 HydrophobicContact CB-CE1 3.92Å; V554-Y585 HydrophobicContact CG1-CE1 3.53Å; V554-Y585 HydrophobicContact CG1-CE2 4.37Å; V554-Y585 VanDerWaalsContact CG1-CZ 3.45Å; V554-Y585 VanDerWaalsContact CG1-OH 3.25Å; V554-Y585 WeakPolarHBondContact CG1-OH 3.42Å
555	P	98.1	Very high	97.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-26.6	177.8	24.3	-33.9	0	0	0	112.9	H551 Y552 L559 A581 Y585 Y588 T594	H551-P555 WeakPolarHBondContact O-CD 3.31Å; Y552-P555 WeakPolarHBondContact O-CD 3.2Å; Y552-P555 WeakPolarHBondContact O-CG 3.34Å; P555-L559 WeakPolarHBondContact O-CB 3.32Å; P555-L559 PolarHBondContact O-N 3.26Å; P555-L559 VanDerWaalsContact O-N 3.07Å; P555-A581 HydrophobicContact CB-CB 4.47Å; P555-Y585 HydrophobicContact CB-CD2 4.01Å; P555-Y585 HydrophobicContact CB-CG 3.98Å; P555-Y585 HydrophobicContact CG-CG 4.16Å; P555-Y588 HydrophobicContact CB-CE1 4.28Å; P555-Y588 HydrophobicContact CB-CE2 4.46Å; P555-Y588 HydrophobicContact CG-CD1 4.11Å; P555-Y588 HydrophobicContact CG-CD2 4.07Å; P555-Y588 HydrophobicContact CG-CE1 3.84Å; P555-Y588 HydrophobicContact CG-CE2 3.77Å; P555-Y588 HydrophobicContact CG-CG 4.23Å; P555-T594 HydrophobicContact CB-CG2 4.46Å
556	N	98	Very high	97.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-76.5	-37.4	174.4	-78	-81.2	0	0	0	112.2	Y471 L518 Y552 L553 V554 L559 E560 T594	Y471-N556 HydrophobicContact CE1-CB 4.04Å; Y471-N556 VanDerWaalsContact OH-CB 3.31Å; Y471-N556 WeakPolarHBondContact OH-CB 3.33Å; Y471-N556 VanDerWaalsContact OH-CG 3.29Å; Y471-N556 PolarHBondContact OH-OD1 3.38Å; L518-N556 HydrophobicContact CD2-CB 4.29Å; Y552-N556 WeakPolarHBondContact O-CB 3.27Å; Y552-N556 PolarHBondContact O-N 3.02Å; Y552-N556 PolarHBondContact O-ND2 3.32Å; L553-N556 PolarHBondContact O-N 3.48Å; V554-N556 PolarHBondContact O-N 3.27Å; N556-L559 WeakPolarHBondContact O-CB 3.23Å; N556-L559 PolarHBondContact O-N 3.27Å; N556-E560 WeakPolarHBondContact O-CG 3.4Å; N556-E560 PolarHBondContact O-N 3.17Å; N556-T594 PolarHBondContact ND2-OG1 2.97Å; N556-T594 VanDerWaalsContact ND2-OG1 3.14Å; N556-T594 PolarHBondContact OD1-OG1 3.11Å
557	A	98.6	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-42.6	172	0	0	0	0	0	111.6	L518 V540 L541 L553 V554 L559 E560 H561	L518-A557 HydrophobicContact CD1-CB 4.16Å; V540-A557 HydrophobicContact CB-CB 3.87Å; V540-A557 HydrophobicContact CG1-CB 3.83Å; V540-A557 HydrophobicContact CG2-CB 4.39Å; L541-A557 HydrophobicContact CD2-CB 4.12Å; L553-A557 WeakPolarHBondContact O-CB 3.44Å; L553-A557 PolarHBondContact O-N 3.27Å; V554-A557 PolarHBondContact O-N 3.13Å; V554-A557 VanDerWaalsContact O-N 3.17Å; A557-L559 VanDerWaalsContact C-N 3.35Å; A557-L559 PolarHBondContact O-N 2.92Å; A557-E560 PolarHBondContact O-N 3.34Å; A557-H561 WeakPolarHBondContact O-CB 3.28Å; A557-H561 PolarHBondContact O-N 2.98Å
558	L	98.6	Very high	96.8	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-41.5	172.9	-71.7	171.6	0	0	0	112.5	L541 V554 G562 L577 T580 A581 Y585	L541-L558 HydrophobicContact CD1-CD2 3.71Å; L541-L558 HydrophobicContact CD2-CD2 3.76Å; L541-L558 HydrophobicContact CD2-CG 3.68Å; L541-L558 HydrophobicContact CG-CD2 4.4Å; V554-L558 PolarHBondContact O-N 3.48Å; L558-G562 PolarHBondContact O-N 3.35Å; L558-L577 HydrophobicContact CD2-CD2 3.67Å; L558-T580 HydrophobicContact CD1-CG2 3.88Å; L558-A581 HydrophobicContact CB-CB 3.72Å; L558-A581 HydrophobicContact CD1-CB 4.04Å; L558-Y585 HydrophobicContact CD1-CD2 4.3Å; L558-Y585 HydrophobicContact CD1-CE2 3.43Å; L558-Y585 VanDerWaalsContact CD1-CE2 3.43Å
559	L	97.4	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-51.4	175.2	167.3	61.8	0	0	0	111.2	P555 N556 A557 G562 L563 L578 T594 R597 I598	P555-L559 WeakPolarHBondContact O-CB 3.32Å; P555-L559 PolarHBondContact O-N 3.26Å; P555-L559 VanDerWaalsContact O-N 3.07Å; N556-L559 WeakPolarHBondContact O-CB 3.23Å; N556-L559 PolarHBondContact O-N 3.27Å; A557-L559 VanDerWaalsContact C-N 3.35Å; A557-L559 PolarHBondContact O-N 2.92Å; L559-G562 PolarHBondContact O-N 3.37Å; L559-L563 HydrophobicContact CD1-CD1 3.97Å; L559-L563 HydrophobicContact CD1-CG 4.11Å; L559-L563 HydrophobicContact CG-CD1 4.21Å; L559-L563 WeakPolarHBondContact O-CG 3.49Å; L559-L563 PolarHBondContact O-N 2.95Å; L559-L578 HydrophobicContact CD1-CD2 3.64Å; L559-T594 HydrophobicContact CD2-CG2 4.29Å; L559-R597 HydrophobicContact CD1-CB 4.38Å; L559-R597 HydrophobicContact CD2-CB 3.68Å; L559-I598 HydrophobicContact CB-CG1 4.27Å; L559-I598 HydrophobicContact CD1-CG1 3.86Å; L559-I598 HydrophobicContact CD2-CG1 4.4Å; L559-I598 HydrophobicContact CG-CG1 4.4Å
560	E	97.8	Very high	96.7	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	13%	0.125	C	C	.	.	H	α-helix	trans	-68.4	-36.4	-177	-64.1	-55.8	154.7	0	0	112.5	Y471 L518 L522 F537 N556 A557 L563 L564 R597	Y471-E560 HydrophobicContact CE2-CG 4.15Å; Y471-E560 WeakPolarHBondContact CE2-OE1 3.32Å; Y471-E560 PolarHBondContact OH-OE1 2.95Å; L518-E560 HydrophobicContact CD1-CG 4.38Å; L522-E560 HydrophobicContact CD2-CB 4.44Å; L522-E560 HydrophobicContact CD2-CG 3.85Å; F537-E560 HydrophobicContact CD1-CB 4.36Å; F537-E560 HydrophobicContact CE1-CB 3.82Å; F537-E560 HydrophobicContact CE2-CB 4.13Å; F537-E560 HydrophobicContact CZ-CB 3.69Å; N556-E560 WeakPolarHBondContact O-CG 3.4Å; N556-E560 PolarHBondContact O-N 3.17Å; A557-E560 PolarHBondContact O-N 3.34Å; E560-L563 PolarHBondContact O-N 3.5Å; E560-L564 WeakPolarHBondContact O-CB 3.4Å; E560-L564 PolarHBondContact O-N 3.32Å; E560-R597 IonicContact OE1-CZ 2.82Å; E560-R597 IonicContact OE1-NH1 3.97Å; E560-R597 PolarHBondContact OE1-NH1 3.12Å; E560-R597 IonicContact OE1-NH2 2.84Å; E560-R597 PolarHBondContact OE1-NH2 3.45Å; E560-R597 IonicContact OE2-NH2 3.41Å
561	H	98.3	Very high	96.6	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.046	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-45.6	170.9	-171.8	-178.2	0	0	0	111.1	E534 F537 A557 L563 L564 C565 L577	E534-H561 WeakPolarHBondContact CG-NE2 2.99Å; E534-H561 IonicContact OE1-CD2 2.82Å; E534-H561 IonicContact OE1-CE1 2.98Å; E534-H561 IonicContact OE1-NE2 2.64Å; E534-H561 PolarHBondContact OE1-NE2 3.26Å; F537-H561 HydrophobicContact CB-CB 4.04Å; F537-H561 HydrophobicContact CD2-CB 3.95Å; F537-H561 HydrophobicContact CG-CB 4.28Å; A557-H561 WeakPolarHBondContact O-CB 3.28Å; A557-H561 PolarHBondContact O-N 2.98Å; H561-L563 VanDerWaalsContact C-N 3.32Å; H561-L563 PolarHBondContact O-N 3.42Å; H561-L564 WeakPolarHBondContact O-CB 3.41Å; H561-L564 PolarHBondContact O-N 2.97Å; H561-C565 VanDerWaalsContact CD2-SG 3.58Å; H561-C565 PolarHBondContact O-N 2.87Å; H561-C565 PolarHBondContact O-SG 2.93Å; H561-C565 VanDerWaalsContact O-SG 3.34Å; H561-L577 HydrophobicContact CB-CD1 4.16Å
562	G	97.4	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-42.6	174.7	0	0	0	0	0	112.6	L558 L559 C565 L566 A574	L558-G562 PolarHBondContact O-N 3.35Å; L559-G562 PolarHBondContact O-N 3.37Å; G562-C565 WeakPolarHBondContact O-CB 3.44Å; G562-C565 PolarHBondContact O-N 2.66Å; G562-L566 WeakPolarHBondContact O-CG 3.15Å; G562-L566 PolarHBondContact O-N 3.39Å; G562-A574 VanDerWaalsContact O-CB 3.24Å; G562-A574 WeakPolarHBondContact O-CB 3.38Å
563	L	95.6	Very high	96.5	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-42.8	174.9	-71	172	0	0	0	112	T301 L559 E560 H561 C565 L566 E567 A601	T301-L563 HydrophobicContact CG2-CD2 3.88Å; L559-L563 HydrophobicContact CD1-CD1 3.97Å; L559-L563 HydrophobicContact CD1-CG 4.11Å; L559-L563 HydrophobicContact CG-CD1 4.21Å; L559-L563 WeakPolarHBondContact O-CG 3.49Å; L559-L563 PolarHBondContact O-N 2.95Å; E560-L563 PolarHBondContact O-N 3.5Å; H561-L563 VanDerWaalsContact C-N 3.32Å; H561-L563 PolarHBondContact O-N 3.42Å; L563-C565 VanDerWaalsContact C-N 3.34Å; L563-C565 PolarHBondContact O-N 3.5Å; L563-L566 HydrophobicContact CD2-CD1 4.48Å; L563-L566 WeakPolarHBondContact O-CB 3.47Å; L563-L566 PolarHBondContact O-N 2.92Å; L563-E567 WeakPolarHBondContact O-CG 3.48Å; L563-E567 PolarHBondContact O-N 3.38Å; L563-A601 HydrophobicContact CD2-CB 3.71Å
564	L	96.4	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-41.7	174.1	175.4	61.6	0	0	0	111.7	K525 R530 A533 E534 F537 E560 H561 L566 E567 Q568	K525-L564 HydrophobicContact CD-CB 4.37Å; K525-L564 HydrophobicContact CG-CD1 4.18Å; R530-L564 HydrophobicContact CB-CD1 4.33Å; R530-L564 HydrophobicContact CG-CD1 4.08Å; A533-L564 HydrophobicContact CB-CD2 4.06Å; E534-L564 HydrophobicContact CB-CD2 4.07Å; F537-L564 HydrophobicContact CD2-CD2 4.35Å; F537-L564 HydrophobicContact CE2-CD2 4.09Å; E560-L564 WeakPolarHBondContact O-CB 3.4Å; E560-L564 PolarHBondContact O-N 3.32Å; H561-L564 WeakPolarHBondContact O-CB 3.41Å; H561-L564 PolarHBondContact O-N 2.97Å; L564-L566 VanDerWaalsContact C-N 3.34Å; L564-L566 PolarHBondContact O-N 2.95Å; L564-E567 PolarHBondContact O-N 2.97Å; L564-Q568 WeakPolarHBondContact O-CG 3.5Å; L564-Q568 PolarHBondContact O-N 3.19Å; L564-Q568 VanDerWaalsContact O-N 3.14Å
565	C	96.6	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-40.9	174.5	-70.9	0	0	0	0	111.9	H561 G562 L563 Q568 G569 R570 A574	H561-C565 VanDerWaalsContact CD2-SG 3.58Å; H561-C565 PolarHBondContact O-N 2.87Å; H561-C565 PolarHBondContact O-SG 2.93Å; H561-C565 VanDerWaalsContact O-SG 3.34Å; G562-C565 WeakPolarHBondContact O-CB 3.44Å; G562-C565 PolarHBondContact O-N 2.66Å; L563-C565 VanDerWaalsContact C-N 3.34Å; L563-C565 PolarHBondContact O-N 3.5Å; C565-Q568 CarbonylContact O-C 3.33Å; C565-Q568 PolarHBondContact O-N 3.29Å; C565-G569 PolarHBondContact O-N 3.02Å; C565-G569 VanDerWaalsContact O-N 3.16Å; C565-R570 HydrophobicContact CB-CB 4.01Å; C565-R570 WeakPolarHBondContact O-CA 3.46Å; C565-R570 PolarHBondContact O-N 2.93Å; C565-R570 PolarHBondContact SG-NH2 3.49Å; C565-A574 HydrophobicContact CB-CB 3.73Å
566	L	94.3	Very high	96.4	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-42.9	174.7	-68.7	176.8	0	0	0	112.3	G562 L563 L564 Q568 G569 R571 A574 L578 A605	G562-L566 WeakPolarHBondContact O-CG 3.15Å; G562-L566 PolarHBondContact O-N 3.39Å; L563-L566 HydrophobicContact CD2-CD1 4.48Å; L563-L566 WeakPolarHBondContact O-CB 3.47Å; L563-L566 PolarHBondContact O-N 2.92Å; L564-L566 VanDerWaalsContact C-N 3.34Å; L564-L566 PolarHBondContact O-N 2.95Å; L566-Q568 PolarHBondContact O-N 2.89Å; L566-G569 PolarHBondContact O-N 3.07Å; L566-R571 HydrophobicContact CD2-CG 4.48Å; L566-A574 HydrophobicContact CD2-CB 3.46Å; L566-A574 VanDerWaalsContact CD2-CB 3.46Å; L566-A574 HydrophobicContact CG-CB 3.55Å; L566-L578 HydrophobicContact CD1-CD1 4.37Å; L566-A605 HydrophobicContact CD1-CB 4.22Å; L566-A605 HydrophobicContact CD2-CB 3.64Å
567	E	92.3	Very high	96.4	Very high	102 Å²	102	42.2 Å²	42.2	48%	0.477	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-27.5	176.7	-72.4	166.5	-156.5	0	0	112.6	K525 L563 L564	K525-E567 WeakPolarHBondContact CE-OE1 3.49Å; K525-E567 WeakPolarHBondContact CE-OE2 3.15Å; K525-E567 IonicContact NZ-OE1 2.69Å; K525-E567 PolarHBondContact NZ-OE1 3.07Å; K525-E567 IonicContact NZ-OE2 3.17Å; L563-E567 WeakPolarHBondContact O-CG 3.48Å; L563-E567 PolarHBondContact O-N 3.38Å; L564-E567 PolarHBondContact O-N 2.97Å
568	Q	93.1	Very high	96.3	Very high	65 Å²	65	42.2 Å²	42.2	30%	0.304	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.3	175.7	-65.3	174.4	14.1	0	0	113.6	L564 C565 L566 R570	L564-Q568 WeakPolarHBondContact O-CG 3.5Å; L564-Q568 PolarHBondContact O-N 3.19Å; L564-Q568 VanDerWaalsContact O-N 3.14Å; C565-Q568 CarbonylContact O-C 3.33Å; C565-Q568 PolarHBondContact O-N 3.29Å; L566-Q568 PolarHBondContact O-N 2.89Å; Q568-R570 VanDerWaalsContact C-N 3.27Å; Q568-R570 HydrophobicContact CB-CG 4.4Å; Q568-R570 PolarHBondContact O-N 3.11Å; Q568-R570 VanDerWaalsContact OE1-CZ 3.24Å
569	G	94	Very high	96.2	Very high	61 Å²	61	43.9 Å²	43.9	63%	0.629	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	5.8	-174.9	0	0	0	0	0	114.9	C565 L566 R571	C565-G569 PolarHBondContact O-N 3.02Å; C565-G569 VanDerWaalsContact O-N 3.16Å; L566-G569 PolarHBondContact O-N 3.07Å; G569-R571 PolarHBondContact O-N 2.7Å
570	R	95.6	Very high	96.2	Very high	65 Å²	65	46 Å²	46	25%	0.245	23%	0.232	C	C	.	.			trans	-77.7	65.4	175.2	-66.5	-168.1	-69.8	155.7	-12.6	111.4	E534 C565 Q568 E573 A574	E534-R570 IonicContact OE1-CZ 3.53Å; E534-R570 IonicContact OE1-NH1 3.02Å; E534-R570 PolarHBondContact OE1-NH1 3.08Å; E534-R570 IonicContact OE1-NH2 3.07Å; E534-R570 PolarHBondContact OE1-NH2 3.1Å; E534-R570 VanDerWaalsContact OE1-NH2 3.07Å; E534-R570 IonicContact OE2-CZ 3.69Å; E534-R570 IonicContact OE2-NH1 3.85Å; E534-R570 IonicContact OE2-NH2 2.74Å; E534-R570 PolarHBondContact OE2-NH2 3.26Å; C565-R570 HydrophobicContact CB-CB 4.01Å; C565-R570 WeakPolarHBondContact O-CA 3.46Å; C565-R570 PolarHBondContact O-N 2.93Å; C565-R570 PolarHBondContact SG-NH2 3.49Å; Q568-R570 VanDerWaalsContact C-N 3.27Å; Q568-R570 HydrophobicContact CB-CG 4.4Å; Q568-R570 PolarHBondContact O-N 3.11Å; Q568-R570 VanDerWaalsContact OE1-CZ 3.24Å; R570-E573 HydrophobicContact CB-CB 4.4Å; R570-E573 WeakPolarHBondContact CD-OE2 3.25Å; R570-E573 IonicContact CZ-OE2 3.5Å; R570-E573 IonicContact NE-OE2 3.71Å; R570-E573 IonicContact NH1-OE1 3Å; R570-E573 PolarHBondContact NH1-OE1 3.34Å; R570-E573 IonicContact NH1-OE2 2.72Å; R570-E573 PolarHBondContact NH1-OE2 3.47Å; R570-A574 WeakPolarHBondContact O-CB 3.45Å; R570-A574 PolarHBondContact O-N 2.78Å
571	R	95.4	Very high	96.1	Very high	93 Å²	93	45.8 Å²	45.8	35%	0.351	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-47.9	-169.6	-172.3	-177.2	-64.3	178.2	-1.5	114	L566 G569 E573 A574 I575 A605 N608	L566-R571 HydrophobicContact CD2-CG 4.48Å; G569-R571 PolarHBondContact O-N 2.7Å; R571-E573 VanDerWaalsContact C-N 3.33Å; R571-E573 PolarHBondContact O-N 3.17Å; R571-A574 WeakPolarHBondContact O-CB 3.48Å; R571-A574 PolarHBondContact O-N 2.95Å; R571-I575 HydrophobicContact CG-CD1 3.99Å; R571-I575 WeakPolarHBondContact O-CG1 3.36Å; R571-I575 PolarHBondContact O-N 3.35Å; R571-A605 WeakPolarHBondContact CD-O 3.25Å; R571-N608 VanDerWaalsContact NH1-C 3.34Å; R571-N608 PolarHBondContact NH1-O 2.9Å; R571-N608 PolarHBondContact NH2-O 2.88Å
572	D	96	Very high	95.9	Very high	136 Å²	136	47.7 Å²	47.7	73%	0.727	24%	0.24	S	C	*	.	H	α-helix	trans	-65.7	-40.4	-175.1	-64.7	-28	0	0	0	111.6	I575 K576	D572-I575 PolarHBondContact O-N 3.4Å; D572-K576 PolarHBondContact O-N 3.39Å
573	E	96.6	Very high	95.6	Very high	74 Å²	74	52.6 Å²	52.6	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-45.1	174.1	-175	174.1	-178.3	0	0	111.5	R570 R571 I575 K576 L577	R570-E573 HydrophobicContact CB-CB 4.4Å; R570-E573 WeakPolarHBondContact CD-OE2 3.25Å; R570-E573 IonicContact CZ-OE2 3.5Å; R570-E573 IonicContact NE-OE2 3.71Å; R570-E573 IonicContact NH1-OE1 3Å; R570-E573 PolarHBondContact NH1-OE1 3.34Å; R570-E573 IonicContact NH1-OE2 2.72Å; R570-E573 PolarHBondContact NH1-OE2 3.47Å; R571-E573 VanDerWaalsContact C-N 3.33Å; R571-E573 PolarHBondContact O-N 3.17Å; E573-I575 PolarHBondContact O-N 3.48Å; E573-K576 WeakPolarHBondContact O-CB 3.46Å; E573-K576 PolarHBondContact O-N 3.36Å; E573-L577 HydrophobicContact CG-CD1 4.19Å; E573-L577 WeakPolarHBondContact O-CG 3.2Å; E573-L577 PolarHBondContact O-N 3.2Å
574	A	97.2	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-47.3	175.2	0	0	0	0	0	112.3	G562 C565 L566 R570 R571 K576 L577 L578	G562-A574 VanDerWaalsContact O-CB 3.24Å; G562-A574 WeakPolarHBondContact O-CB 3.38Å; C565-A574 HydrophobicContact CB-CB 3.73Å; L566-A574 HydrophobicContact CD2-CB 3.46Å; L566-A574 VanDerWaalsContact CD2-CB 3.46Å; L566-A574 HydrophobicContact CG-CB 3.55Å; R570-A574 WeakPolarHBondContact O-CB 3.45Å; R570-A574 PolarHBondContact O-N 2.78Å; R571-A574 WeakPolarHBondContact O-CB 3.48Å; R571-A574 PolarHBondContact O-N 2.95Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.29Å; A574-L577 PolarHBondContact O-N 2.94Å; A574-L578 WeakPolarHBondContact O-CB 3.38Å; A574-L578 WeakPolarHBondContact O-CG 3.41Å; A574-L578 PolarHBondContact O-N 2.99Å
575	I	97.2	Very high	95.5	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.205	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-43.5	178.1	-69.9	169.7	0	0	0	110.2	R571 D572 E573 L577 L578 E579 L602 A605	R571-I575 HydrophobicContact CG-CD1 3.99Å; R571-I575 WeakPolarHBondContact O-CG1 3.36Å; R571-I575 PolarHBondContact O-N 3.35Å; D572-I575 PolarHBondContact O-N 3.4Å; E573-I575 PolarHBondContact O-N 3.48Å; I575-L577 PolarHBondContact O-N 2.95Å; I575-L578 PolarHBondContact O-N 3.39Å; I575-E579 HydrophobicContact CG2-CG 4.16Å; I575-E579 WeakPolarHBondContact O-CB 3.41Å; I575-E579 WeakPolarHBondContact O-CG 3.33Å; I575-E579 PolarHBondContact O-N 3.39Å; I575-L602 HydrophobicContact CG2-CD2 4.32Å; I575-A605 HydrophobicContact CD1-CB 4.26Å; I575-A605 HydrophobicContact CG1-CB 3.89Å
576	K	97.6	Very high	95.3	Very high	153 Å²	153	64.6 Å²	64.6	67%	0.665	32%	0.319	S	S	*	.	H	α-helix	trans	-60	-47.1	177.9	-174.5	-177.3	177.7	-174.3	0	112.2	D572 E573 A574 T580	D572-K576 PolarHBondContact O-N 3.39Å; E573-K576 WeakPolarHBondContact O-CB 3.46Å; E573-K576 PolarHBondContact O-N 3.36Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.29Å; K576-T580 WeakPolarHBondContact O-CB 3.37Å; K576-T580 PolarHBondContact O-N 3.25Å; K576-T580 PolarHBondContact O-OG1 3.28Å
577	L	98	Very high	95.2	Very high	23 Å²	23	69.9 Å²	69.9	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-47.1	177.4	-69.6	167.9	0	0	0	111.3	L558 H561 E573 A574 I575 T580 A581	L558-L577 HydrophobicContact CD2-CD2 3.67Å; H561-L577 HydrophobicContact CB-CD1 4.16Å; E573-L577 HydrophobicContact CG-CD1 4.19Å; E573-L577 WeakPolarHBondContact O-CG 3.2Å; E573-L577 PolarHBondContact O-N 3.2Å; A574-L577 PolarHBondContact O-N 2.94Å; I575-L577 PolarHBondContact O-N 2.95Å; L577-T580 WeakPolarHBondContact O-CB 3.46Å; L577-T580 PolarHBondContact O-N 2.87Å; L577-A581 PolarHBondContact O-N 3.25Å
578	L	97.1	Very high	95.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-43.7	-179.2	-70.3	170.7	0	0	0	112.6	L559 L566 A574 I575 T580 A581 K582 I598 A601 L602	L559-L578 HydrophobicContact CD1-CD2 3.64Å; L566-L578 HydrophobicContact CD1-CD1 4.37Å; A574-L578 WeakPolarHBondContact O-CB 3.38Å; A574-L578 WeakPolarHBondContact O-CG 3.41Å; A574-L578 PolarHBondContact O-N 2.99Å; I575-L578 PolarHBondContact O-N 3.39Å; L578-T580 VanDerWaalsContact C-N 3.32Å; L578-A581 PolarHBondContact O-N 3.25Å; L578-K582 WeakPolarHBondContact O-CB 3.09Å; L578-K582 PolarHBondContact O-N 3.48Å; L578-K582 VanDerWaalsContact O-N 3.07Å; L578-I598 HydrophobicContact CB-CG2 4.18Å; L578-I598 HydrophobicContact CD2-CG1 4.39Å; L578-I598 HydrophobicContact CD2-CG2 4.32Å; L578-I598 WeakPolarHBondContact O-CG2 3.34Å; L578-A601 HydrophobicContact CD1-CB 3.76Å; L578-A601 HydrophobicContact CD2-CB 3.95Å; L578-L602 HydrophobicContact CB-CD2 3.66Å; L578-L602 HydrophobicContact CB-CG 3.92Å; L578-L602 HydrophobicContact CD1-CD2 4.01Å; L578-L602 HydrophobicContact CD1-CG 4.18Å
579	E	96.1	Very high	95.2	Very high	43 Å²	43	62.9 Å²	62.9	20%	0.201	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-34.8	176.4	-65.6	-68.4	-173.2	0	0	111	I575 K582 H583 L602 K606	I575-E579 HydrophobicContact CG2-CG 4.16Å; I575-E579 WeakPolarHBondContact O-CB 3.41Å; I575-E579 WeakPolarHBondContact O-CG 3.33Å; I575-E579 PolarHBondContact O-N 3.39Å; E579-K582 PolarHBondContact O-N 3.07Å; E579-K582 IonicContact OE2-NZ 3.2Å; E579-H583 WeakPolarHBondContact O-CB 3.23Å; E579-H583 PolarHBondContact O-CD2 3.09Å; E579-H583 PolarHBondContact O-N 3.05Å; E579-H583 IonicContact OE2-CD2 2.66Å; E579-H583 PolarHBondContact OE2-CD2 3.23Å; E579-H583 IonicContact OE2-NE2 3.05Å; E579-H583 PolarHBondContact OE2-NE2 3.16Å; E579-L602 HydrophobicContact CG-CD2 4.07Å; E579-K606 IonicContact OE1-NZ 3.29Å; E579-K606 PolarHBondContact OE1-NZ 2.94Å
580	T	96.9	Very high	95.2	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.27	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-47.9	173.4	-62.7	0	0	0	0	110.9	L558 K576 L577 L578 K582 H583 N584 Y585	L558-T580 HydrophobicContact CD1-CG2 3.88Å; K576-T580 WeakPolarHBondContact O-CB 3.37Å; K576-T580 PolarHBondContact O-N 3.25Å; K576-T580 PolarHBondContact O-OG1 3.28Å; L577-T580 WeakPolarHBondContact O-CB 3.46Å; L577-T580 PolarHBondContact O-N 2.87Å; L578-T580 VanDerWaalsContact C-N 3.32Å; T580-K582 VanDerWaalsContact C-N 3.25Å; T580-K582 PolarHBondContact O-N 3.36Å; T580-H583 PolarHBondContact O-N 3.31Å; T580-N584 WeakPolarHBondContact O-CB 3.25Å; T580-N584 PolarHBondContact O-N 3.1Å; T580-Y585 HydrophobicContact CG2-CE2 4.47Å
581	A	96.3	Very high	95	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-38.6	176.4	0	0	0	0	0	112.5	P555 L558 L577 L578 I598	P555-A581 HydrophobicContact CB-CB 4.47Å; L558-A581 HydrophobicContact CB-CB 3.72Å; L558-A581 HydrophobicContact CD1-CB 4.04Å; L577-A581 PolarHBondContact O-N 3.25Å; L578-A581 PolarHBondContact O-N 3.25Å; A581-I598 HydrophobicContact CB-CD1 3.63Å; A581-I598 HydrophobicContact CB-CG1 4.39Å
582	K	93.2	Very high	94.7	Very high	51 Å²	51	58.9 Å²	58.9	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-74.5	-37.6	-178	-173.7	-178.9	176.8	-174.1	0	114.1	L578 E579 T580 I598 L602	L578-K582 WeakPolarHBondContact O-CB 3.09Å; L578-K582 PolarHBondContact O-N 3.48Å; L578-K582 VanDerWaalsContact O-N 3.07Å; E579-K582 PolarHBondContact O-N 3.07Å; E579-K582 IonicContact OE2-NZ 3.2Å; T580-K582 VanDerWaalsContact C-N 3.25Å; T580-K582 PolarHBondContact O-N 3.36Å; K582-I598 HydrophobicContact CB-CG2 4.06Å; K582-I598 HydrophobicContact CD-CG2 4.43Å; K582-L602 HydrophobicContact CD-CD1 4.13Å
583	H	92.4	Very high	94.4	Very high	102 Å²	102	53.1 Å²	53.1	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-99.1	-30.3	-168	-73.2	-64.9	0	0	0	113.7	E579 T580	E579-H583 WeakPolarHBondContact O-CB 3.23Å; E579-H583 PolarHBondContact O-CD2 3.09Å; E579-H583 PolarHBondContact O-N 3.05Å; E579-H583 IonicContact OE2-CD2 2.66Å; E579-H583 PolarHBondContact OE2-CD2 3.23Å; E579-H583 IonicContact OE2-NE2 3.05Å; E579-H583 PolarHBondContact OE2-NE2 3.16Å; T580-H583 PolarHBondContact O-N 3.31Å
584	N	94.8	Very high	94.2	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-94.3	-14.2	-170.1	-65.5	6.8	0	0	0	113.9	T580	T580-N584 WeakPolarHBondContact O-CB 3.25Å; T580-N584 PolarHBondContact O-N 3.1Å
585	Y	94.4	Very high	93.9	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.122	25%	0.254	C	S	.	.			trans	-120.2	138.3	-175.3	-55.5	-87.7	0	0	0	111.6	E544 V554 P555 L558 T580	E544-Y585 VanDerWaalsContact OE1-CE1 3.25Å; E544-Y585 WeakPolarHBondContact OE1-CE1 3.14Å; E544-Y585 PolarHBondContact OE1-OH 3.39Å; E544-Y585 PolarHBondContact OE2-OH 2.96Å; V554-Y585 HydrophobicContact CB-CE1 3.92Å; V554-Y585 HydrophobicContact CG1-CE1 3.53Å; V554-Y585 HydrophobicContact CG1-CE2 4.37Å; V554-Y585 VanDerWaalsContact CG1-CZ 3.45Å; V554-Y585 VanDerWaalsContact CG1-OH 3.25Å; V554-Y585 WeakPolarHBondContact CG1-OH 3.42Å; P555-Y585 HydrophobicContact CB-CD2 4.01Å; P555-Y585 HydrophobicContact CB-CG 3.98Å; P555-Y585 HydrophobicContact CG-CG 4.16Å; L558-Y585 HydrophobicContact CD1-CD2 4.3Å; L558-Y585 HydrophobicContact CD1-CE2 3.43Å; L558-Y585 VanDerWaalsContact CD1-CE2 3.43Å; T580-Y585 HydrophobicContact CG2-CE2 4.47Å
586	K	93.5	Very high	93.5	Very high	121 Å²	121	51.3 Å²	51.3	53%	0.526	25%	0.253	S	S	.	.			trans	-149.7	161.4	-179.4	-61.7	-179.6	-172.8	167.7	0	111	Y588	K586-Y588 PolarHBondContact O-N 3.24Å
587	N	90.6	Very high	93.2	Very high	149 Å²	149	44.3 Å²	44.3	80%	0.797	22%	0.222	S	C	*	.	S	Bend	trans	61.9	22.2	172.9	-55.3	-42.5	0	0	0	115	E591	N587-E591 WeakPolarHBondContact CA-OE2 3.22Å; N587-E591 PolarHBondContact N-OE2 2.94Å
588	Y	93.9	Very high	93	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	22%	0.217	C	C	.	.			trans	-93.8	168.3	178.2	61.9	-91.2	0	0	0	112.2	P555 K586 M590 E591 T594	P555-Y588 HydrophobicContact CB-CE1 4.28Å; P555-Y588 HydrophobicContact CB-CE2 4.46Å; P555-Y588 HydrophobicContact CG-CD1 4.11Å; P555-Y588 HydrophobicContact CG-CD2 4.07Å; P555-Y588 HydrophobicContact CG-CE1 3.84Å; P555-Y588 HydrophobicContact CG-CE2 3.77Å; P555-Y588 HydrophobicContact CG-CG 4.23Å; K586-Y588 PolarHBondContact O-N 3.24Å; Y588-M590 PolarHBondContact O-N 3.39Å; Y588-E591 HydrophobicContact CD1-CB 4.26Å; Y588-E591 HydrophobicContact CD1-CG 4.3Å; Y588-E591 HydrophobicContact CD2-CB 4.11Å; Y588-E591 HydrophobicContact CE1-CB 4.01Å; Y588-E591 HydrophobicContact CE1-CG 3.73Å; Y588-E591 VanDerWaalsContact CE2-CA 3.4Å; Y588-E591 HydrophobicContact CE2-CB 3.88Å; Y588-E591 HydrophobicContact CE2-CG 4.36Å; Y588-E591 HydrophobicContact CG-CB 4.3Å; Y588-E591 PolarHBondContact O-N 3.48Å; Y588-T594 HydrophobicContact CE2-CG2 4.26Å; Y588-T594 WeakPolarHBondContact OH-CB 3.39Å; Y588-T594 WeakPolarHBondContact OH-CG2 3.5Å
589	S	93.2	Very high	92.6	Very high	6 Å²	6	46 Å²	46	4%	0.042	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	134.4	179.1	-48.7	0	0	0	0	112.3	R449 Y552 E591	R449-S589 VanDerWaalsContact CZ-CB 3.45Å; R449-S589 PolarHBondContact NE-OG 3.45Å; R449-S589 PolarHBondContact NH1-OG 2.95Å; R449-S589 VanDerWaalsContact NH2-CA 3.28Å; R449-S589 VanDerWaalsContact NH2-CB 3.34Å; R449-S589 PolarHBondContact NH2-OG 2.75Å; Y552-S589 WeakPolarHBondContact CB-O 3.3Å; S589-E591 PolarHBondContact O-N 2.85Å
590	M	92.8	Very high	92.2	Very high	19 Å²	19	45.6 Å²	45.6	9%	0.094	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	22.8	179.4	-55.4	-60.6	-70	0	0	114.9	P442 T443 F446 I472 Y588 S592 R593 T594	P442-M590 VanDerWaalsContact C-SD 3.53Å; P442-M590 HydrophobicContact CB-CE 4.15Å; P442-M590 HydrophobicContact CB-SD 3.63Å; T443-M590 HydrophobicContact CG2-CE 3.94Å; T443-M590 HydrophobicContact CG2-SD 4.5Å; F446-M590 HydrophobicContact CB-CG 4.27Å; F446-M590 HydrophobicContact CB-SD 4.23Å; F446-M590 HydrophobicContact CD2-CG 3.88Å; F446-M590 HydrophobicContact CG-CG 4.31Å; I472-M590 HydrophobicContact CD1-CG 4.15Å; I472-M590 HydrophobicContact CG2-CE 3.7Å; Y588-M590 PolarHBondContact O-N 3.39Å; M590-S592 VanDerWaalsContact C-N 3.33Å; M590-S592 PolarHBondContact O-N 3.04Å; M590-R593 HydrophobicContact CB-CB 4.49Å; M590-R593 HydrophobicContact CE-CB 4.31Å; M590-R593 WeakPolarHBondContact O-CB 3.3Å; M590-R593 PolarHBondContact O-N 2.94Å; M590-T594 PolarHBondContact O-N 3.2Å; M590-T594 VanDerWaalsContact O-N 3.13Å
591	E	92.2	Very high	91.9	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-48.7	-47.9	179.7	177.6	-178	169.2	0	0	113.7	N587 Y588 S589 R593 T594 H595	N587-E591 WeakPolarHBondContact CA-OE2 3.22Å; N587-E591 PolarHBondContact N-OE2 2.94Å; Y588-E591 HydrophobicContact CD1-CB 4.26Å; Y588-E591 HydrophobicContact CD1-CG 4.3Å; Y588-E591 HydrophobicContact CD2-CB 4.11Å; Y588-E591 HydrophobicContact CE1-CB 4.01Å; Y588-E591 HydrophobicContact CE1-CG 3.73Å; Y588-E591 VanDerWaalsContact CE2-CA 3.4Å; Y588-E591 HydrophobicContact CE2-CB 3.88Å; Y588-E591 HydrophobicContact CE2-CG 4.36Å; Y588-E591 HydrophobicContact CG-CB 4.3Å; Y588-E591 PolarHBondContact O-N 3.48Å; S589-E591 PolarHBondContact O-N 2.85Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.2Å; E591-T594 PolarHBondContact O-N 3.31Å; E591-H595 PolarHBondContact O-N 3.16Å; E591-H595 IonicContact OE1-CE1 3.96Å; E591-H595 PolarHBondContact OE1-CE1 3Å; E591-H595 IonicContact OE1-ND1 3.19Å; E591-H595 IonicContact OE1-NE2 3.95Å
592	S	88.3	Confident	91.6	Very high	77 Å²	77	43.9 Å²	43.9	54%	0.538	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-40.9	-179.6	-53.3	0	0	0	0	112.3	M590 H595 F596	M590-S592 VanDerWaalsContact C-N 3.33Å; M590-S592 PolarHBondContact O-N 3.04Å; S592-H595 PolarHBondContact O-N 3.48Å; S592-F596 WeakPolarHBondContact O-CD2 3.13Å; S592-F596 WeakPolarHBondContact O-CG 3.42Å; S592-F596 PolarHBondContact O-N 2.95Å; S592-F596 VanDerWaalsContact O-N 3.07Å
593	R	90.7	Very high	91.3	Very high	15 Å²	15	47.2 Å²	47.2	6%	0.057	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-50.4	177	178.6	-170.9	167.2	-87.8	3.3	110.8	Y471 I472 N474 M590 E591 H595 F596 R597	Y471-R593 PolarHBondContact O-NH2 2.88Å; I472-R593 PolarHBondContact O-NE 3.15Å; I472-R593 PolarHBondContact O-NH2 3Å; I472-R593 VanDerWaalsContact O-NH2 3.14Å; N474-R593 PolarHBondContact OD1-NH2 3.47Å; M590-R593 HydrophobicContact CB-CB 4.49Å; M590-R593 HydrophobicContact CE-CB 4.31Å; M590-R593 WeakPolarHBondContact O-CB 3.3Å; M590-R593 PolarHBondContact O-N 2.94Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.2Å; R593-H595 VanDerWaalsContact C-N 3.25Å; R593-H595 PolarHBondContact O-N 3.38Å; R593-F596 PolarHBondContact O-N 2.98Å; R593-F596 VanDerWaalsContact O-N 3.13Å; R593-R597 WeakPolarHBondContact O-CG 3.45Å; R593-R597 PolarHBondContact O-N 2.99Å; R593-R597 VanDerWaalsContact O-N 3.09Å
594	T	92.4	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-40.1	179.2	-62.2	0	0	0	0	111	P555 N556 L559 Y588 M590 E591 R597 I598	P555-T594 HydrophobicContact CB-CG2 4.46Å; N556-T594 PolarHBondContact ND2-OG1 2.97Å; N556-T594 VanDerWaalsContact ND2-OG1 3.14Å; N556-T594 PolarHBondContact OD1-OG1 3.11Å; L559-T594 HydrophobicContact CD2-CG2 4.29Å; Y588-T594 HydrophobicContact CE2-CG2 4.26Å; Y588-T594 WeakPolarHBondContact OH-CB 3.39Å; Y588-T594 WeakPolarHBondContact OH-CG2 3.5Å; M590-T594 PolarHBondContact O-N 3.2Å; M590-T594 VanDerWaalsContact O-N 3.13Å; E591-T594 PolarHBondContact O-N 3.31Å; T594-R597 PolarHBondContact O-N 3.27Å; T594-I598 HydrophobicContact CG2-CD1 3.79Å; T594-I598 HydrophobicContact CG2-CG1 4.41Å; T594-I598 VanDerWaalsContact O-CG1 3.27Å; T594-I598 WeakPolarHBondContact O-CG1 3.41Å; T594-I598 PolarHBondContact O-N 2.95Å
595	H	90.9	Very high	90.6	Very high	33 Å²	33	41 Å²	41	15%	0.153	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.5	-75.3	-179.2	0	0	0	113.8	E591 S592 R593 R597 I598 Q599	E591-H595 PolarHBondContact O-N 3.16Å; E591-H595 IonicContact OE1-CE1 3.96Å; E591-H595 PolarHBondContact OE1-CE1 3Å; E591-H595 IonicContact OE1-ND1 3.19Å; E591-H595 IonicContact OE1-NE2 3.95Å; S592-H595 PolarHBondContact O-N 3.48Å; R593-H595 VanDerWaalsContact C-N 3.25Å; R593-H595 PolarHBondContact O-N 3.38Å; H595-R597 VanDerWaalsContact C-N 3.32Å; H595-R597 PolarHBondContact O-N 3.11Å; H595-I598 PolarHBondContact O-N 3.1Å; H595-Q599 WeakPolarHBondContact O-CB 3.46Å; H595-Q599 PolarHBondContact O-N 3.02Å
596	F	88.5	Confident	90.1	Very high	42 Å²	42	44 Å²	44	18%	0.184	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-45	174.7	-72.1	-54.4	0	0	0	111.5	M245 P247 L299 S592 R593 Q599 A600	M245-F596 VanDerWaalsContact O-CD1 3.29Å; M245-F596 WeakPolarHBondContact O-CD1 3.31Å; M245-F596 WeakPolarHBondContact O-CE1 3.45Å; P247-F596 VanDerWaalsContact CD-CE1 3.43Å; P247-F596 HydrophobicContact CG-CD1 4.47Å; P247-F596 HydrophobicContact CG-CE1 3.54Å; P247-F596 HydrophobicContact CG-CZ 3.64Å; L299-F596 HydrophobicContact CB-CB 4.16Å; L299-F596 HydrophobicContact CD2-CD2 3.96Å; L299-F596 CarbonylContact O-C 3.6Å; S592-F596 WeakPolarHBondContact O-CD2 3.13Å; S592-F596 WeakPolarHBondContact O-CG 3.42Å; S592-F596 PolarHBondContact O-N 2.95Å; S592-F596 VanDerWaalsContact O-N 3.07Å; R593-F596 PolarHBondContact O-N 2.98Å; R593-F596 VanDerWaalsContact O-N 3.13Å; F596-Q599 PolarHBondContact O-N 3.38Å; F596-A600 PolarHBondContact O-N 3.37Å
597	R	91.6	Very high	88.9	Confident	6 Å²	6	39.8 Å²	39.8	2%	0.023	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-43.2	178.5	-63	-175.3	67.9	-143.6	3	112.2	L299 G300 Y471 L559 E560 R593 T594 H595 Q599 A600 A601	L299-R597 WeakPolarHBondContact O-CA 3.4Å; L299-R597 PolarHBondContact O-N 3.14Å; G300-R597 WeakPolarHBondContact O-CG 3.32Å; Y471-R597 PolarHBondContact OH-NH1 2.84Å; L559-R597 HydrophobicContact CD1-CB 4.38Å; L559-R597 HydrophobicContact CD2-CB 3.68Å; E560-R597 IonicContact OE1-CZ 2.82Å; E560-R597 IonicContact OE1-NH1 3.97Å; E560-R597 PolarHBondContact OE1-NH1 3.12Å; E560-R597 IonicContact OE1-NH2 2.84Å; E560-R597 PolarHBondContact OE1-NH2 3.45Å; E560-R597 IonicContact OE2-NH2 3.41Å; R593-R597 WeakPolarHBondContact O-CG 3.45Å; R593-R597 PolarHBondContact O-N 2.99Å; R593-R597 VanDerWaalsContact O-N 3.09Å; T594-R597 PolarHBondContact O-N 3.27Å; H595-R597 VanDerWaalsContact C-N 3.32Å; H595-R597 PolarHBondContact O-N 3.11Å; R597-Q599 VanDerWaalsContact C-N 3.35Å; R597-Q599 PolarHBondContact O-N 3.13Å; R597-A600 PolarHBondContact O-N 3.39Å; R597-A601 WeakPolarHBondContact O-CB 3.36Å; R597-A601 PolarHBondContact O-N 3.04Å
598	I	92.7	Very high	87.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-43.7	175.2	-68.2	162.6	0	0	0	110.9	L559 L578 A581 K582 T594 H595 A601 L602	L559-I598 HydrophobicContact CB-CG1 4.27Å; L559-I598 HydrophobicContact CD1-CG1 3.86Å; L559-I598 HydrophobicContact CD2-CG1 4.4Å; L559-I598 HydrophobicContact CG-CG1 4.4Å; L578-I598 HydrophobicContact CB-CG2 4.18Å; L578-I598 HydrophobicContact CD2-CG1 4.39Å; L578-I598 HydrophobicContact CD2-CG2 4.32Å; L578-I598 WeakPolarHBondContact O-CG2 3.34Å; A581-I598 HydrophobicContact CB-CD1 3.63Å; A581-I598 HydrophobicContact CB-CG1 4.39Å; K582-I598 HydrophobicContact CB-CG2 4.06Å; K582-I598 HydrophobicContact CD-CG2 4.43Å; T594-I598 HydrophobicContact CG2-CD1 3.79Å; T594-I598 HydrophobicContact CG2-CG1 4.41Å; T594-I598 VanDerWaalsContact O-CG1 3.27Å; T594-I598 WeakPolarHBondContact O-CG1 3.41Å; T594-I598 PolarHBondContact O-N 2.95Å; H595-I598 PolarHBondContact O-N 3.1Å; I598-A601 PolarHBondContact O-N 3.36Å; I598-L602 HydrophobicContact CG2-CD1 3.76Å; I598-L602 HydrophobicContact CG2-CG 4.21Å; I598-L602 WeakPolarHBondContact O-CB 3.5Å; I598-L602 WeakPolarHBondContact O-CG 3.45Å; I598-L602 PolarHBondContact O-N 3Å
599	Q	89.1	Confident	84.6	Confident	59 Å²	59	39.3 Å²	39.3	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-42.8	178.8	-177.5	171.4	-24.3	0	0	111.6	H595 F596 R597 L602 H603	H595-Q599 WeakPolarHBondContact O-CB 3.46Å; H595-Q599 PolarHBondContact O-N 3.02Å; F596-Q599 PolarHBondContact O-N 3.38Å; R597-Q599 VanDerWaalsContact C-N 3.35Å; R597-Q599 PolarHBondContact O-N 3.13Å; Q599-L602 PolarHBondContact O-N 2.66Å; Q599-H603 WeakPolarHBondContact O-CB 3.39Å; Q599-H603 PolarHBondContact O-N 3.09Å
600	A	86.9	Confident	82	Confident	35 Å²	35	45.5 Å²	45.5	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-45.3	174.3	0	0	0	0	0	111.7	T301 F596 R597 H603 K604	T301-A600 HydrophobicContact CG2-CB 4.36Å; F596-A600 PolarHBondContact O-N 3.37Å; R597-A600 PolarHBondContact O-N 3.39Å; A600-H603 PolarHBondContact O-N 3.14Å; A600-K604 PolarHBondContact O-N 2.83Å
601	A	91.1	Very high	79.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-43.8	177.7	0	0	0	0	0	112.5	T301 L563 L578 R597 I598 K604 A605	T301-A601 HydrophobicContact CG2-CB 4.2Å; L563-A601 HydrophobicContact CD2-CB 3.71Å; L578-A601 HydrophobicContact CD1-CB 3.76Å; L578-A601 HydrophobicContact CD2-CB 3.95Å; R597-A601 WeakPolarHBondContact O-CB 3.36Å; R597-A601 PolarHBondContact O-N 3.04Å; I598-A601 PolarHBondContact O-N 3.36Å; A601-K604 PolarHBondContact O-N 3.2Å; A601-A605 WeakPolarHBondContact O-CB 3.35Å; A601-A605 PolarHBondContact O-N 3.37Å
602	L	91.6	Very high	76.3	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176.2	-76.2	170.5	0	0	0	112	I575 L578 E579 K582 I598 Q599 A605 K606	I575-L602 HydrophobicContact CG2-CD2 4.32Å; L578-L602 HydrophobicContact CB-CD2 3.66Å; L578-L602 HydrophobicContact CB-CG 3.92Å; L578-L602 HydrophobicContact CD1-CD2 4.01Å; L578-L602 HydrophobicContact CD1-CG 4.18Å; E579-L602 HydrophobicContact CG-CD2 4.07Å; K582-L602 HydrophobicContact CD-CD1 4.13Å; I598-L602 HydrophobicContact CG2-CD1 3.76Å; I598-L602 HydrophobicContact CG2-CG 4.21Å; I598-L602 WeakPolarHBondContact O-CB 3.5Å; I598-L602 WeakPolarHBondContact O-CG 3.45Å; I598-L602 PolarHBondContact O-N 3Å; Q599-L602 PolarHBondContact O-N 2.66Å; L602-A605 PolarHBondContact O-N 3.22Å; L602-K606 WeakPolarHBondContact O-CB 3.05Å; L602-K606 VanDerWaalsContact O-CG 3.31Å; L602-K606 WeakPolarHBondContact O-CG 3.38Å; L602-K606 PolarHBondContact O-N 3.26Å
603	H	85.5	Confident	73.4	Confident	121 Å²	121	55.7 Å²	55.7	56%	0.56	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-45.8	175.5	-173.6	-85.5	0	0	0	111	Q599 A600 A605 K606 G607	Q599-H603 WeakPolarHBondContact O-CB 3.39Å; Q599-H603 PolarHBondContact O-N 3.09Å; A600-H603 PolarHBondContact O-N 3.14Å; H603-A605 VanDerWaalsContact C-N 3.34Å; H603-A605 PolarHBondContact O-N 2.99Å; H603-K606 PolarHBondContact O-N 3.26Å; H603-G607 PolarHBondContact O-N 3.17Å
604	K	84.3	Confident	70.6	Confident	83 Å²	83	64 Å²	64	36%	0.361	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-42.2	174.9	-173.9	176	178	177.8	0	112	E303 A600 A601 N608	E303-K604 IonicContact OE1-NZ 3.71Å; E303-K604 PolarHBondContact OE1-NZ 2.78Å; E303-K604 IonicContact OE2-NZ 2.68Å; E303-K604 PolarHBondContact OE2-NZ 3.32Å; A600-K604 PolarHBondContact O-N 2.83Å; A601-K604 PolarHBondContact O-N 3.2Å; K604-N608 PolarHBondContact O-N 3.44Å
605	A	88	Confident	67.5	Low	3 Å²	3	69.3 Å²	69.3	3%	0.025	39%	0.389	C	S	.	.	H	α-helix	trans	-65.1	-41	179.1	0	0	0	0	0	112.9	L566 R571 I575 A601 L602 H603	L566-A605 HydrophobicContact CD1-CB 4.22Å; L566-A605 HydrophobicContact CD2-CB 3.64Å; R571-A605 WeakPolarHBondContact CD-O 3.25Å; I575-A605 HydrophobicContact CD1-CB 4.26Å; I575-A605 HydrophobicContact CG1-CB 3.89Å; A601-A605 WeakPolarHBondContact O-CB 3.35Å; A601-A605 PolarHBondContact O-N 3.37Å; L602-A605 PolarHBondContact O-N 3.22Å; H603-A605 VanDerWaalsContact C-N 3.34Å; H603-A605 PolarHBondContact O-N 2.99Å
606	K	83.9	Confident	64.5	Low	95 Å²	95	72.4 Å²	72.4	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-80.8	-40.6	-177.6	-67.5	174.9	-174.1	176.8	0	112.4	E579 L602 H603 N608 G609	E579-K606 IonicContact OE1-NZ 3.29Å; E579-K606 PolarHBondContact OE1-NZ 2.94Å; L602-K606 WeakPolarHBondContact O-CB 3.05Å; L602-K606 VanDerWaalsContact O-CG 3.31Å; L602-K606 WeakPolarHBondContact O-CG 3.38Å; L602-K606 PolarHBondContact O-N 3.26Å; H603-K606 PolarHBondContact O-N 3.26Å; K606-N608 VanDerWaalsContact C-N 3.3Å; K606-N608 PolarHBondContact O-N 3.22Å; K606-G609 PolarHBondContact O-N 3.45Å
607	G	68.4	Low	61.6	Low	31 Å²	31	76.3 Å²	76.3	32%	0.32	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-33.8	178.4	0	0	0	0	0	113.7	H603 G609 E610	H603-G607 PolarHBondContact O-N 3.17Å; G607-G609 PolarHBondContact O-N 3.33Å; G607-G609 VanDerWaalsContact O-N 3.12Å; G607-E610 PolarHBondContact O-N 3.22Å
608	N	54.5	Low	58.4	Low	106 Å²	106	81 Å²	81	57%	0.567	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	2.4	173.4	-75.4	-5.9	0	0	0	114	R571 K604 K606	R571-N608 VanDerWaalsContact NH1-C 3.34Å; R571-N608 PolarHBondContact NH1-O 2.9Å; R571-N608 PolarHBondContact NH2-O 2.88Å; K604-N608 PolarHBondContact O-N 3.44Å; K606-N608 VanDerWaalsContact C-N 3.3Å; K606-N608 PolarHBondContact O-N 3.22Å
609	G	39.9	Very low	55.5	Low	49 Å²	49	90.6 Å²	90.6	51%	0.505	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-15.3	172.1	0	0	0	0	0	114.4	K606 G607	K606-G609 PolarHBondContact O-N 3.45Å; G607-G609 PolarHBondContact O-N 3.33Å; G607-G609 VanDerWaalsContact O-N 3.12Å
610	E	37.8	Very low	53.8	Low	136 Å²	136	92.2 Å²	92.2	64%	0.636	55%	0.553	S	S	*	*			trans	-100.7	11	-168.4	-74.1	-176.8	169.4	0	0	115.2	G607 G612	G607-E610 PolarHBondContact O-N 3.22Å; E610-G612 PolarHBondContact O-N 2.84Å
611	N	33.5	Very low	52.1	Low	171 Å²	171	95.2 Å²	95.2	91%	0.914	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	23.6	165.4	-76.5	-11.9	0	0	0	113.4
612	G	32.9	Very low	49.9	Very low	63 Å²	63	100.5 Å²	100.5	65%	0.649	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	-8	-173.6	0	0	0	0	0	116.7	E610	E610-G612 PolarHBondContact O-N 2.84Å
613	V	28.1	Very low	47.5	Very low	115 Å²	115	106 Å²	106	70%	0.697	63%	0.632	S	S	*	*			trans	-147.2	109.4	177.1	-173.4	0	0	0	0	110.8	V615	V613-V615 PolarHBondContact O-N 2.86Å; V613-V615 VanDerWaalsContact O-N 3.16Å
614	H	30.7	Very low	45.1	Very low	190 Å²	190	105.1 Å²	105.1	88%	0.88	64%	0.636	S	S	*	*			trans	-48.5	115.8	161.7	-114.6	-58.2	0	0	0	109.7
615	V	27.6	Very low	42.5	Very low	111 Å²	111	106.5 Å²	106.5	67%	0.673	66%	0.655	S	S	*	*			trans	-92.8	130.9	161.6	-175.9	0	0	0	0	107.4	V613	V613-V615 PolarHBondContact O-N 2.86Å; V613-V615 VanDerWaalsContact O-N 3.16Å
616	P	27	Very low	39.2	Very low	97 Å²	97	113.9 Å²	113.9	63%	0.63	70%	0.7	S	S	*	*			trans	-70.9	138.1	-177.2	-3	18.2	0	0	0	110.2	S618	P616-S618 PolarHBondContact O-N 3.04Å; P616-S618 VanDerWaalsContact O-N 3.09Å
617	S	29	Very low	35.8	Very low	124 Å²	124	115.4 Å²	115.4	87%	0.867	72%	0.722	S	S	*	*			trans	-47.6	115.3	157.9	45.7	0	0	0	0	109.2
618	S	23.6	Very low	33.1	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	76%	0.755	S	S	*	*			trans	-95.6	151.3	171.1	-67.4	0	0	0	0	109.3	P616	P616-S618 PolarHBondContact O-N 3.04Å; P616-S618 VanDerWaalsContact O-N 3.09Å
619	P	32.4	Very low	31.1	Very low	201 Å²	201	123.9 Å²	123.9	100%	1.305	77%	0.772	S	S	*	*			trans	-75	0	-133.2	28.1	-35.8	0	0	0	116.3

Retrieved 619 of 619 residues in 1261.9 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).