A0A2K6CHD2_MACNE Loading...

Nuclear receptor subfamily 5 group A member 2

AlphaFold DB , UniProt , Accession A0A2K6CHD2, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene NR5A2, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	35.2	Very low	246 Å²	246	142.4 Å²	142.4	100%	1.212	83%	0.827	S	S	*	*				0	129	0	-72.8	167.4	87.7	0	0	107.1
2	S	34.3	Very low	34.8	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	83%	0.833	S	S	*	*			trans	-68.2	173.3	-167.8	-46	0	0	0	0	114.8
3	S	35.4	Very low	34.5	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	82%	0.82	S	S	*	*			trans	108.8	105.9	157.2	64.5	0	0	0	0	114.7
4	N	37.3	Very low	34.4	Very low	158 Å²	158	141.9 Å²	141.9	85%	0.845	81%	0.811	S	S	*	*				58.5	138.6	69.7	-79.4	8.4	0	0	0	111.8
5	S	39.2	Very low	34.3	Very low	83 Å²	83	143.4 Å²	143.4	58%	0.58	81%	0.805	S	S	*	*			cis	177.6	165.1	-0.2	43	0	0	0	0	106.9
6	D	38.4	Very low	34.1	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	81%	0.808	S	S	*	*			trans	71	145.8	147.4	-69.5	-21	0	0	0	119.2
7	T	35.2	Very low	33.7	Very low	135 Å²	135	141.2 Å²	141.2	83%	0.828	80%	0.8	S	S	*	*			cis	-170	163.8	8.9	22.7	0	0	0	0	104.2
8	G	31.7	Very low	33.6	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	81%	0.809	S	S	*	*			cis	170.7	154.2	11.1	0	0	0	0	0	107.1
9	D	34.1	Very low	33.7	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	81%	0.808	S	S	*	*			trans	-60.4	160.2	179.4	-68.5	-61.7	0	0	0	115
10	L	32.5	Very low	34.4	Very low	181 Å²	181	140.9 Å²	140.9	95%	0.948	80%	0.802	S	S	*	*				-171.8	144.7	121.7	-97.5	158.9	0	0	0	112.4
11	Q	33.3	Very low	34.3	Very low	167 Å²	167	142.3 Å²	142.3	78%	0.78	81%	0.805	S	S	*	*			trans	-128.5	132.8	-162.3	172.4	-176.9	6.3	0	0	107.3
12	E	30.6	Very low	34	Very low	192 Å²	192	133.8 Å²	133.8	90%	0.897	78%	0.78	S	S	*	*			trans	-170.3	97.6	153.6	-116.5	176	161.7	0	0	115.3
13	S	31.4	Very low	33.8	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	79%	0.787	S	S	*	*				15	137.4	119.7	-79.5	0	0	0	0	124.7
14	L	32.3	Very low	33.5	Very low	134 Å²	134	132.2 Å²	132.2	70%	0.702	79%	0.789	S	S	*	*				101.2	111.2	129.3	-71.2	159.3	0	0	0	123
15	K	32.8	Very low	33.2	Very low	165 Å²	165	132.1 Å²	132.1	72%	0.717	79%	0.787	S	S	*	*				83.7	149	118.6	-88	-177.3	-165.7	171.8	0	125.1
16	H	31.6	Very low	33.5	Very low	183 Å²	183	134 Å²	134	85%	0.847	80%	0.797	S	S	*	*			trans	85.4	131.4	165.1	-58	-64.1	0	0	0	115.7
17	G	28.2	Very low	33.2	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	80%	0.795	S	S	*	*			cis	134.7	136.2	12.9	0	0	0	0	0	108.4
18	L	31.6	Very low	32.9	Very low	184 Å²	184	139.1 Å²	139.1	96%	0.963	80%	0.801	S	S	*	*			trans	138.5	129	151.6	-71.9	165.1	0	0	0	115.7
19	T	35	Very low	32.8	Very low	127 Å²	127	145.2 Å²	145.2	78%	0.779	81%	0.81	S	S	*	*			trans	-80.6	171.1	168	45.9	0	0	0	0	112.8
20	P	47	Very low	32.5	Very low	106 Å²	106	141.2 Å²	141.2	69%	0.688	81%	0.806	S	S	*	*				-150.6	151.6	98.9	29.3	-7.6	0	0	0	118.6
21	I	33.1	Very low	32.2	Very low	172 Å²	172	138.4 Å²	138.4	88%	0.882	80%	0.802	S	S	*	*			trans	56.7	138.4	132.2	-52	166.6	0	0	0	119.5
22	G	30	Very low	32.8	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	80%	0.802	S	S	*	*			cis	145.1	154.7	6.4	0	0	0	0	0	111.7
23	A	30	Very low	32.8	Very low	118 Å²	118	134 Å²	134	98%	0.975	80%	0.802	S	S	*	*			trans	85.4	137.4	172.9	0	0	0	0	0	118.5
24	G	27.8	Very low	32.9	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	81%	0.809	S	S	*	*			cis	-177.4	155.3	2.2	0	0	0	0	0	110.5
25	L	31.8	Very low	32.7	Very low	156 Å²	156	133.8 Å²	133.8	82%	0.817	81%	0.814	S	S	*	*			trans	-84.2	167.3	178.1	-103.4	158.3	0	0	0	111.2
26	P	45	Very low	32.5	Very low	121 Å²	121	138 Å²	138	79%	0.786	83%	0.826	S	S	*	*				-152.5	174.1	66.7	37.7	-14.1	0	0	0	119.5
27	D	31.4	Very low	32.1	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	82%	0.821	S	S	*	*			trans	-51	156.1	-179.4	-70.9	-56.5	0	0	0	118.9
28	R	30.1	Very low	32.1	Very low	251 Å²	251	141.5 Å²	141.5	95%	0.947	83%	0.833	S	S	*	*			trans	-149.9	129	134.2	-78.7	-154.4	176.6	-159.8	-2.3	114.1
29	H	30.1	Very low	31.7	Very low	197 Å²	197	140 Å²	140	91%	0.912	83%	0.826	S	S	*	*			trans	-61.9	151.8	165.3	-86.9	-82.4	0	0	0	114.2
30	G	26.3	Very low	31.2	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	83%	0.829	S	S	*	*			trans	173.3	112	156.9	0	0	0	0	0	114.9
31	S	27	Very low	30.1	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	83%	0.829	S	S	*	*			trans	-131.8	174.1	160.8	-59.1	0	0	0	0	107.7
32	P	46.1	Very low	29.6	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	82%	0.822	S	S	*	*				-127.2	163.2	-75.8	36.4	-20	0	0	0	112.6
33	V	29.5	Very low	29.5	Very low	147 Å²	147	143.1 Å²	143.1	89%	0.891	83%	0.825	S	S	*	*			trans	-147.1	147.6	169.9	176.1	0	0	0	0	111.3
34	P	34	Very low	29.2	Very low	123 Å²	123	145 Å²	145	80%	0.799	81%	0.811	S	S	*	*			trans	-107.9	172.8	-150.8	40.4	-30.8	0	0	0	114.9
35	A	28	Very low	29	Very low	100 Å²	100	147.2 Å²	147.2	83%	0.826	81%	0.809	S	S	*	*			trans	-122.1	122.5	166.4	0	0	0	0	0	111.8
36	R	29.2	Very low	28.6	Very low	254 Å²	254	146.6 Å²	146.6	96%	0.958	80%	0.803	S	S	*	*			trans	-51.2	155.4	163	-69.5	165	156.5	170.9	-7.7	110.6
37	G	24	Very low	27.7	Very low	72 Å²	72	147.2 Å²	147.2	74%	0.742	80%	0.804	S	S	*	*			cis	153.8	143.8	7.5	0	0	0	0	0	108.4
38	R	26.3	Very low	27.4	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	81%	0.81	S	S	*	*			trans	-171	105.6	141.3	-112.7	-178.2	-165.3	-160.7	3.6	109.6
39	L	23.1	Very low	27.2	Very low	153 Å²	153	142.3 Å²	142.3	80%	0.801	81%	0.805	S	S	*	*			trans	-84.6	138.8	161.3	-100	128	0	0	0	108.1	M41	L39-M41 HydrophobicContact CD2-CG 4.49Å
40	V	25.2	Very low	27.1	Very low	141 Å²	141	141.2 Å²	141.2	86%	0.855	81%	0.805	S	S	*	*			trans	-121.1	129.8	153.8	178.7	0	0	0	0	106.2
41	M	23.6	Very low	26.9	Very low	140 Å²	140	141.1 Å²	141.1	69%	0.69	80%	0.804	S	S	*	*			trans	-100.6	143.2	-173	-98.5	-152.3	162.7	0	0	112.2	L39	L39-M41 HydrophobicContact CD2-CG 4.49Å
42	L	23	Very low	26.9	Very low	137 Å²	137	144 Å²	144	72%	0.717	81%	0.809	S	S	*	*			trans	72.6	158.5	139.8	-68.6	173.2	0	0	0	119.2
43	P	28.3	Very low	26	Very low	117 Å²	117	143 Å²	143	76%	0.76	81%	0.81	S	S	*	*			cis	-129.7	161.4	16.1	34.8	-14.6	0	0	0	118.4
44	K	23.3	Very low	25.8	Very low	157 Å²	157	146.7 Å²	146.7	68%	0.683	81%	0.808	S	S	*	*			trans	-78.9	135	167.5	-169.2	-173.7	-175	-144.7	0	108.2	E46	K44-E46 IonicContact NZ-OE1 2.8Å; K44-E46 PolarHBondContact NZ-OE1 2.96Å
45	V	24.1	Very low	25.5	Very low	124 Å²	124	146.8 Å²	146.8	75%	0.752	81%	0.812	S	S	*	*			trans	-116.4	115.4	167.4	-178.2	0	0	0	0	107.4
46	E	23.5	Very low	25.4	Very low	144 Å²	144	150.6 Å²	150.6	67%	0.673	81%	0.812	S	S	*	*			trans	-81.6	142.6	167.9	-73.1	165	175.5	0	0	108	K44	K44-E46 IonicContact NZ-OE1 2.8Å; K44-E46 PolarHBondContact NZ-OE1 2.96Å
47	T	26.3	Very low	25.3	Very low	134 Å²	134	141.5 Å²	141.5	82%	0.822	80%	0.798	S	S	*	*			trans	-142.3	130.7	165	-33.6	0	0	0	0	109.9
48	E	25	Very low	25.4	Very low	181 Å²	181	146.4 Å²	146.4	85%	0.846	80%	0.801	S	S	*	*			trans	-78.5	152.7	-160.8	-63.1	167.9	126	0	0	113.1
49	A	26.3	Very low	25.4	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	80%	0.795	S	S	*	*			trans	-77.2	131.6	165.5	0	0	0	0	0	110.1
50	L	26.3	Very low	25.6	Very low	174 Å²	174	139.2 Å²	139.2	91%	0.911	80%	0.795	S	S	*	*			trans	-119.4	114.6	162.6	-77.2	169.3	0	0	0	108.4
51	G	23.6	Very low	25.6	Very low	71 Å²	71	141.5 Å²	141.5	73%	0.732	80%	0.796	S	S	*	*			trans	-82.1	152	171.3	0	0	0	0	0	111.4
52	L	26.3	Very low	25.7	Very low	184 Å²	184	142 Å²	142	96%	0.963	80%	0.799	S	S	*	*			trans	-138	140.4	161.8	-86.5	167.4	0	0	0	111.2
53	A	27.2	Very low	26.1	Very low	99 Å²	99	141.6 Å²	141.6	82%	0.818	81%	0.805	S	S	*	*			trans	-59.3	160.2	-162.7	0	0	0	0	0	119
54	R	25.1	Very low	26.1	Very low	225 Å²	225	143.7 Å²	143.7	85%	0.849	80%	0.804	S	S	*	*			trans	-68.5	153.8	164.4	-71.4	173	160.3	173.8	-6.6	112.7
55	S	27.3	Very low	26.3	Very low	125 Å²	125	143.4 Å²	143.4	87%	0.874	81%	0.81	S	S	*	*			trans	-138.6	147.2	146.5	61.4	0	0	0	0	110.9
56	H	27	Very low	26.4	Very low	179 Å²	179	145.8 Å²	145.8	83%	0.829	82%	0.815	S	S	*	*			trans	-104.5	156.3	-170.2	-95.3	-90	0	0	0	112.1
57	G	26.4	Very low	26.6	Very low	64 Å²	64	148.5 Å²	148.5	66%	0.66	83%	0.828	S	S	*	*			trans	166.9	92.9	158.2	0	0	0	0	0	109.7
58	E	27.3	Very low	26.6	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	82%	0.824	S	S	*	*				62.1	139	100.2	-77.5	-169	130.8	0	0	114.6
59	Q	26.2	Very low	26.6	Very low	175 Å²	175	143.9 Å²	143.9	82%	0.818	82%	0.815	S	S	*	*			cis	-170.4	140.1	-20.2	-115.6	-177.4	33.7	0	0	104.1
60	G	25.7	Very low	26.6	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	82%	0.817	S	S	*	*			trans	-172.7	114.7	172.3	0	0	0	0	0	111.7
61	Q	25.8	Very low	26.7	Very low	190 Å²	190	148.6 Å²	148.6	89%	0.888	81%	0.813	S	S	*	*			trans	-84.9	124.5	-170.7	-82.3	167	-21.7	0	0	114.4
62	M	25.2	Very low	26.8	Very low	150 Å²	150	154.5 Å²	154.5	74%	0.739	82%	0.819	S	S	*	*				48.3	143.1	124.4	-63.5	-63.9	96.6	0	0	121.7
63	P	33.1	Very low	26.7	Very low	129 Å²	129	154.3 Å²	154.3	84%	0.838	82%	0.815	S	S	*	*				-136.8	164.1	65.1	33.2	-12.8	0	0	0	118.7
64	E	28.2	Very low	26.8	Very low	160 Å²	160	154.7 Å²	154.7	75%	0.748	81%	0.807	S	S	*	*			trans	-70.2	143	-173.8	-65	167.5	120.1	0	0	115.6
65	N	26.9	Very low	26.8	Very low	151 Å²	151	151.2 Å²	151.2	81%	0.807	81%	0.805	S	S	*	*				152.7	98.4	118.7	-91.5	-31.1	0	0	0	112.5
66	M	26.5	Very low	26.9	Very low	175 Å²	175	154.9 Å²	154.9	86%	0.862	80%	0.801	S	S	*	*			trans	-164.7	106	139.2	-143.8	156.1	71.9	0	0	108.8	V68	M66-V68 PolarHBondContact O-N 3.16Å
67	Q	27.6	Very low	27	Very low	201 Å²	201	150.7 Å²	150.7	94%	0.939	79%	0.792	S	S	*	*			trans	-69.6	100.6	175	-79.6	176.9	-8.9	0	0	109.5
68	V	25.2	Very low	27.7	Very low	121 Å²	121	155.3 Å²	155.3	73%	0.733	79%	0.791	S	S	*	*			trans	-82	117	163.2	179.9	0	0	0	0	107.1	M66 Q70	M66-V68 PolarHBondContact O-N 3.16Å; V68-Q70 PolarHBondContact O-N 3.14Å
69	S	26.5	Very low	28.4	Very low	96 Å²	96	154 Å²	154	67%	0.671	79%	0.79	S	S	*	*			trans	-62.1	105.5	174	41.1	0	0	0	0	109.9	F71	S69-F71 PolarHBondContact O-N 3.07Å
70	Q	26.2	Very low	29	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	79%	0.791	S	S	*	*			trans	-67.3	95.6	176.4	-162.6	175.4	18.5	0	0	109.2	V68 K72	V68-Q70 PolarHBondContact O-N 3.14Å; Q70-K72 PolarHBondContact O-N 3.5Å; Q70-K72 VanDerWaalsContact O-N 3.15Å
71	F	26.6	Very low	30	Very low	189 Å²	189	157.3 Å²	157.3	83%	0.829	79%	0.789	S	S	*	*			trans	-61.5	113.7	166.4	-92.5	-92.9	0	0	0	108.5	S69 M73	S69-F71 PolarHBondContact O-N 3.07Å; F71-M73 PolarHBondContact O-N 2.81Å
72	K	26.3	Very low	31.2	Very low	196 Å²	196	155.1 Å²	155.1	85%	0.852	78%	0.782	S	S	*	*			trans	-62.2	105.6	167.5	-76.3	-177.8	177.9	178.8	0	108.1	Q70 V74	Q70-K72 PolarHBondContact O-N 3.5Å; Q70-K72 VanDerWaalsContact O-N 3.15Å; K72-V74 PolarHBondContact O-N 3.48Å; K72-V74 VanDerWaalsContact O-N 3.13Å
73	M	24.6	Very low	33	Very low	180 Å²	180	153 Å²	153	89%	0.887	77%	0.77	S	S	*	*			trans	-66.9	106.1	171	-145.2	174.7	-176.1	0	0	107.5	F71 N75	F71-M73 PolarHBondContact O-N 2.81Å; M73-N75 PolarHBondContact O-N 3.35Å
74	V	29.2	Very low	35.3	Very low	106 Å²	106	151.2 Å²	151.2	64%	0.642	75%	0.751	S	S	*	*			trans	-74.3	109	173	-178.8	0	0	0	0	106.9	K72 Y76	K72-V74 PolarHBondContact O-N 3.48Å; K72-V74 VanDerWaalsContact O-N 3.13Å; V74-Y76 HydrophobicContact CB-CD2 4.47Å; V74-Y76 HydrophobicContact CB-CE2 4.36Å; V74-Y76 HydrophobicContact CG1-CD2 4.08Å; V74-Y76 HydrophobicContact CG1-CE2 3.93Å; V74-Y76 PolarHBondContact O-N 3.48Å
75	N	25.9	Very low	38.5	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	74%	0.74	S	S	*	*			trans	-61.5	103.1	168.2	-82.5	-25.7	0	0	0	108.8	M73 S77	M73-N75 PolarHBondContact O-N 3.35Å; N75-S77 PolarHBondContact O-N 3.26Å
76	Y	27.7	Very low	41.8	Very low	201 Å²	201	141.2 Å²	141.2	79%	0.788	70%	0.702	S	S	*	*			trans	-82.9	101.5	167.3	-90.5	-85.4	0	0	0	108.7	V74 Y78	V74-Y76 HydrophobicContact CB-CD2 4.47Å; V74-Y76 HydrophobicContact CB-CE2 4.36Å; V74-Y76 HydrophobicContact CG1-CD2 4.08Å; V74-Y76 HydrophobicContact CG1-CE2 3.93Å; V74-Y76 PolarHBondContact O-N 3.48Å; Y76-Y78 PolarHBondContact O-N 3Å
77	S	29.5	Very low	45	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	68%	0.68	S	S	*	*			trans	-62.8	128.4	164.1	55.2	0	0	0	0	109.2	N75 D79	N75-S77 PolarHBondContact O-N 3.26Å; S77-D79 PolarHBondContact O-N 2.96Å
78	Y	41.6	Very low	48.3	Very low	160 Å²	160	126.3 Å²	126.3	63%	0.627	64%	0.636	S	S	*	*	S	Bend	trans	-76.5	28.2	-169.2	-122.5	-94	0	0	0	115.2	Y76 I186	Y76-Y78 PolarHBondContact O-N 3Å; Y78-I186 HydrophobicContact CE1-CG2 4.16Å; Y78-I186 PolarHBondContact OH-O 3.44Å
79	D	41.3	Very low	51.7	Low	148 Å²	148	120.8 Å²	120.8	79%	0.791	60%	0.603	S	S	*	*			trans	-145.9	36.5	-165.7	-130.1	-16.6	0	0	0	114.6	S77	S77-D79 PolarHBondContact O-N 2.96Å
80	E	39.7	Very low	55	Low	181 Å²	181	118 Å²	118	85%	0.846	59%	0.589	S	S	*	*			trans	-109.1	109.3	159.5	-84.8	-169.2	151.4	0	0	109.9	L82	E80-L82 PolarHBondContact O-N 2.88Å; E80-L82 VanDerWaalsContact O-N 3.17Å
81	D	45.9	Very low	58.4	Low	140 Å²	140	110.4 Å²	110.4	75%	0.749	55%	0.554	S	S	*	*			trans	-36.7	115.8	170.7	-78	-55.2	0	0	0	112.7	E83	D81-E83 HydrophobicContact CB-CG 4.24Å; D81-E83 PolarHBondContact O-N 2.92Å
82	L	52.4	Low	61.7	Low	143 Å²	143	107.3 Å²	107.3	75%	0.749	54%	0.541	S	S	*	.			trans	-63.4	72.5	154.4	-71.8	168.2	0	0	0	108.4	E80 E84	E80-L82 PolarHBondContact O-N 2.88Å; E80-L82 VanDerWaalsContact O-N 3.17Å; L82-E84 PolarHBondContact O-N 2.95Å
83	E	62.8	Low	64.9	Low	105 Å²	105	99.5 Å²	99.5	49%	0.491	51%	0.509	S	S	.	.			trans	-65.1	92.8	163.5	-87.7	-169.1	150.5	0	0	107	D81 L85 K92	D81-E83 HydrophobicContact CB-CG 4.24Å; D81-E83 PolarHBondContact O-N 2.92Å; E83-L85 PolarHBondContact O-N 3.02Å; E83-K92 WeakPolarHBondContact OE1-CE 3.08Å; E83-K92 IonicContact OE1-NZ 3.14Å; E83-K92 PolarHBondContact OE1-NZ 3.45Å
84	E	81	Confident	68.2	Low	93 Å²	93	94 Å²	94	44%	0.435	49%	0.489	S	S	.	.			trans	-54.6	111.1	177.3	-166.9	168.4	173.5	0	0	108.6	L82 V93 L101 K179	L82-E84 PolarHBondContact O-N 2.95Å; E84-V93 VanDerWaalsContact O-CB 3.23Å; E84-V93 WeakPolarHBondContact O-CB 3.44Å; E84-V93 WeakPolarHBondContact O-CG2 3.4Å; E84-L101 VanDerWaalsContact CD-CD1 3.4Å; E84-L101 HydrophobicContact CG-CD1 4.42Å; E84-L101 WeakPolarHBondContact OE2-CD1 3.29Å; E84-K179 IonicContact OE1-NZ 3.72Å; E84-K179 PolarHBondContact OE1-NZ 3.42Å; E84-K179 IonicContact OE2-NZ 2.98Å; E84-K179 PolarHBondContact OE2-NZ 3.41Å
85	L	94.4	Very high	71.2	Confident	100 Å²	100	90 Å²	90	52%	0.524	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-83.6	151.4	-179.9	-62	-179.3	0	0	0	110.3	E83 P87	E83-L85 PolarHBondContact O-N 3.02Å; L85-P87 WeakPolarHBondContact O-CD 3.36Å
86	C	96.1	Very high	74.3	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	44%	0.437	C	S	.	.			trans	-63.7	119.7	-179.7	174.6	0	0	0	0	110.2	V88 C89 G90 D91 V93 C103	C86-V88 PolarHBondContact O-N 3.33Å; C86-C89 PolarHBondContact O-N 3.01Å; C86-C89 VanDerWaalsContact O-N 3.12Å; C86-G90 WeakPolarHBondContact O-CA 3.19Å; C86-G90 PolarHBondContact O-N 3.12Å; C86-D91 WeakPolarHBondContact CB-O 3.47Å; C86-D91 PolarHBondContact N-O 3.22Å; C86-V93 HydrophobicContact CB-CG2 4.38Å; C86-C103 HydrophobicContact CB-CB 3.82Å; C86-C103 PolarHBondContact SG-N 3.1Å; C86-C103 VanDerWaalsContact SG-N 3.4Å
87	P	94.8	Very high	77.4	Confident	62 Å²	62	76.2 Å²	76.2	40%	0.403	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.2	-173.8	25.6	-34.3	0	0	0	113.4	L85 L100 L101 K145 V149	L85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-L100 HydrophobicContact CG-CD1 3.51Å; P87-L101 VanDerWaalsContact CD-O 3.27Å; P87-L101 WeakPolarHBondContact CD-O 3.4Å; P87-K145 WeakPolarHBondContact O-CE 3.36Å; P87-V149 HydrophobicContact CB-CB 4.31Å; P87-V149 HydrophobicContact CB-CG1 4.13Å; P87-V149 HydrophobicContact CG-CB 4.31Å; P87-V149 HydrophobicContact CG-CG2 4.29Å
88	V	97.4	Very high	80.4	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.006	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-43.8	176	-177.4	0	0	0	0	111.7	C86 C106 I130 R142 K145 V149 M151	C86-V88 PolarHBondContact O-N 3.33Å; V88-C106 HydrophobicContact CB-CB 4.39Å; V88-C106 HydrophobicContact CG2-CB 4.45Å; V88-I130 HydrophobicContact CG1-CG2 4.14Å; V88-I130 VanDerWaalsContact O-CG2 3.27Å; V88-I130 WeakPolarHBondContact O-CG2 3.34Å; V88-R142 HydrophobicContact CG1-CG 4.35Å; V88-K145 HydrophobicContact CG1-CB 4.48Å; V88-K145 HydrophobicContact CG1-CG 4.4Å; V88-K145 VanDerWaalsContact O-CD 3.27Å; V88-K145 WeakPolarHBondContact O-CD 3.36Å; V88-K145 WeakPolarHBondContact O-CE 3.48Å; V88-K145 PolarHBondContact O-NZ 2.92Å; V88-V149 HydrophobicContact CG2-CG2 3.56Å; V88-M151 HydrophobicContact CG2-SD 4.49Å
89	C	96.7	Very high	82.7	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.034	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.6	2.9	-166.1	67.8	0	0	0	0	115.4	C86 D91 I130 D131 K132 R135	C86-C89 PolarHBondContact O-N 3.01Å; C86-C89 VanDerWaalsContact O-N 3.12Å; C89-D91 PolarHBondContact O-N 3.1Å; C89-I130 HydrophobicContact CB-CG2 4.13Å; C89-D131 CarbonylContact O-C 3.19Å; C89-D131 VanDerWaalsContact O-CA 3.28Å; C89-D131 WeakPolarHBondContact O-CA 3.44Å; C89-K132 PolarHBondContact O-N 2.79Å; C89-R135 HydrophobicContact CB-CB 4.29Å; C89-R135 PolarHBondContact SG-NH1 2.85Å
90	G	95.3	Very high	85.1	Confident	38 Å²	38	61 Å²	61	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	71.7	3.9	-179	0	0	0	0	0	115.7	C86	C86-G90 WeakPolarHBondContact O-CA 3.19Å; C86-G90 PolarHBondContact O-N 3.12Å
91	D	96.3	Very high	87.6	Confident	24 Å²	24	53.5 Å²	53.5	13%	0.128	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-77	159.7	176.6	-160.9	10.3	0	0	0	111.7	C86 C89 V93 C103 K132 R135	C86-D91 WeakPolarHBondContact CB-O 3.47Å; C86-D91 PolarHBondContact N-O 3.22Å; C89-D91 PolarHBondContact O-N 3.1Å; D91-V93 PolarHBondContact O-N 2.94Å; D91-C103 HydrophobicContact CB-CB 3.94Å; D91-K132 HydrophobicContact CB-CB 4.4Å; D91-K132 HydrophobicContact CB-CD 4.25Å; D91-K132 HydrophobicContact CB-CG 4.21Å; D91-K132 WeakPolarHBondContact OD1-CD 3.3Å; D91-K132 WeakPolarHBondContact OD1-CE 3.47Å; D91-K132 IonicContact OD1-NZ 2.8Å; D91-K132 PolarHBondContact OD1-NZ 2.69Å; D91-R135 IonicContact OD2-CZ 2.82Å; D91-R135 IonicContact OD2-NH1 2.84Å; D91-R135 PolarHBondContact OD2-NH1 3.34Å; D91-R135 IonicContact OD2-NH2 3.34Å; D91-R135 PolarHBondContact OD2-NH2 2.63Å
92	K	95.8	Very high	90	Very high	125 Å²	125	46.8 Å²	46.8	54%	0.543	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-59.2	130.6	-176.3	-174.7	163.7	176.8	158.7	0	111.7	E83 C103	E83-K92 WeakPolarHBondContact OE1-CE 3.08Å; E83-K92 IonicContact OE1-NZ 3.14Å; E83-K92 PolarHBondContact OE1-NZ 3.45Å; K92-C103 WeakPolarHBondContact O-CA 3.49Å; K92-C103 WeakPolarHBondContact O-CB 3.33Å
93	V	95.1	Very high	92.1	Very high	31 Å²	31	40 Å²	40	19%	0.188	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-66	135.2	176.6	162.9	0	0	0	0	110.1	E84 C86 D91 L101	E84-V93 VanDerWaalsContact O-CB 3.23Å; E84-V93 WeakPolarHBondContact O-CB 3.44Å; E84-V93 WeakPolarHBondContact O-CG2 3.4Å; C86-V93 HydrophobicContact CB-CG2 4.38Å; D91-V93 PolarHBondContact O-N 2.94Å; V93-L101 HydrophobicContact CG1-CB 3.76Å; V93-L101 HydrophobicContact CG1-CD2 3.81Å; V93-L101 HydrophobicContact CG1-CG 4.22Å; V93-L101 HydrophobicContact CG2-CB 4.16Å
94	S	94	Very high	93.8	Very high	66 Å²	66	40 Å²	40	46%	0.462	22%	0.222	S	C	.	.			trans	-104.8	-11	173.5	63.9	0	0	0	0	113.4	H97 T102 E104	S94-H97 PolarHBondContact OG-NE2 3.29Å; S94-T102 PolarHBondContact N-O 3.05Å; S94-E104 PolarHBondContact OG-N 2.81Å; S94-E104 PolarHBondContact OG-OE2 2.91Å
95	G	90.8	Very high	94.6	Very high	20 Å²	20	37.2 Å²	37.2	21%	0.206	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.8	-170.3	177.4	0	0	0	0	0	113.1	H97 L101 T102	G95-H97 PolarHBondContact O-CD2 2.98Å; G95-H97 PolarHBondContact O-N 3.21Å; G95-H97 PolarHBondContact O-NE2 3Å; G95-L101 WeakPolarHBondContact O-CA 2.92Å; G95-T102 PolarHBondContact O-N 3.31Å
96	Y	91.2	Very high	94.8	Very high	43 Å²	43	32.4 Å²	32.4	17%	0.169	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.7	176.6	-77.5	-92.8	0	0	0	110	L100 L101 Y172 D175	Y96-L100 CarbonylContact C-O 3.59Å; Y96-L100 WeakPolarHBondContact CA-O 2.93Å; Y96-L101 HydrophobicContact CD1-CD2 4.28Å; Y96-L101 HydrophobicContact CD1-CG 4.29Å; Y96-L101 HydrophobicContact CD2-CD2 3.38Å; Y96-L101 HydrophobicContact CD2-CG 4.13Å; Y96-L101 HydrophobicContact CE1-CD2 4.35Å; Y96-L101 HydrophobicContact CE1-CG 4.04Å; Y96-L101 HydrophobicContact CE2-CD1 4.3Å; Y96-L101 HydrophobicContact CE2-CD2 3.46Å; Y96-L101 VanDerWaalsContact CE2-CD2 3.46Å; Y96-L101 HydrophobicContact CE2-CG 3.87Å; Y96-L101 HydrophobicContact CG-CD2 3.82Å; Y96-L101 HydrophobicContact CG-CG 4.33Å; Y96-Y172 AromaticContact CD1-CD1 3.41Å; Y96-Y172 HydrophobicContact CD1-CD1 3.41Å; Y96-Y172 VanDerWaalsContact CD1-CD1 3.41Å; Y96-Y172 AromaticContact CD1-CE1 3.87Å; Y96-Y172 HydrophobicContact CD1-CE1 3.87Å; Y96-Y172 HydrophobicContact CD1-CG 4.15Å; Y96-Y172 HydrophobicContact CE1-CD1 4.09Å; Y96-Y172 AromaticContact CG-CD1 3.84Å; Y96-Y172 HydrophobicContact CG-CD1 3.84Å; Y96-Y172 HydrophobicContact CG-CE1 4.33Å; Y96-Y172 HydrophobicContact CG-CG 4.16Å; Y96-D175 HydrophobicContact CE1-CB 4.43Å; Y96-D175 WeakPolarHBondContact CE1-OD2 3.46Å; Y96-D175 VanDerWaalsContact CZ-OD2 3.31Å; Y96-D175 PolarHBondContact OH-OD2 3.1Å
97	H	93.6	Very high	94.8	Very high	22 Å²	22	35 Å²	35	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.6	176.3	-50.9	-64.8	0	0	0	109.2	S94 G95 G99 L100 T102 E104 K107	S94-H97 PolarHBondContact OG-NE2 3.29Å; G95-H97 PolarHBondContact O-CD2 2.98Å; G95-H97 PolarHBondContact O-N 3.21Å; G95-H97 PolarHBondContact O-NE2 3Å; H97-G99 VanDerWaalsContact C-N 3.3Å; H97-G99 PolarHBondContact O-N 3.46Å; H97-L100 PolarHBondContact N-O 2.71Å; H97-T102 WeakPolarHBondContact CB-OG1 3.47Å; H97-T102 PolarHBondContact CD2-O 3.44Å; H97-T102 PolarHBondContact CD2-OG1 3.03Å; H97-E104 IonicContact CE1-OE2 3.47Å; H97-E104 IonicContact NE2-OE2 2.78Å; H97-K107 HydrophobicContact CB-CB 3.86Å; H97-K107 HydrophobicContact CB-CD 4.46Å; H97-K107 HydrophobicContact CB-CG 3.81Å; H97-K107 VanDerWaalsContact ND1-CD 3.32Å; H97-K107 WeakPolarHBondContact ND1-CD 3.34Å; H97-K107 VanDerWaalsContact ND1-CE 3.32Å; H97-K107 WeakPolarHBondContact ND1-CE 3.46Å
98	Y	93	Very high	94.9	Very high	35 Å²	35	32.8 Å²	32.8	14%	0.137	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.9	173.8	-47	-69	0	0	0	114.5	K107 F110 K111 M151 K152 A155 V156	Y98-K107 HydrophobicContact CD2-CG 4.49Å; Y98-K107 HydrophobicContact CE2-CB 4.39Å; Y98-K107 HydrophobicContact CE2-CG 3.73Å; Y98-K107 WeakPolarHBondContact CE2-O 3.5Å; Y98-F110 HydrophobicContact CD1-CD1 4.49Å; Y98-F110 AromaticContact CD2-CD1 3.78Å; Y98-F110 HydrophobicContact CD2-CD1 3.78Å; Y98-F110 HydrophobicContact CE2-CD1 4.37Å; Y98-F110 AromaticContact CG-CD1 3.84Å; Y98-F110 HydrophobicContact CG-CD1 3.84Å; Y98-F110 HydrophobicContact CG-CE1 4.15Å; Y98-K111 HydrophobicContact CE2-CB 4.25Å; Y98-K111 WeakPolarHBondContact OH-CB 3.31Å; Y98-K111 WeakPolarHBondContact OH-CD 3.28Å; Y98-K111 WeakPolarHBondContact OH-CG 3.36Å; Y98-M151 HydrophobicContact CD2-CE 3.56Å; Y98-M151 HydrophobicContact CG-CE 4.22Å; Y98-M151 CarbonylContact O-C 3.57Å; Y98-M151 WeakPolarHBondContact O-CA 3.37Å; Y98-K152 PolarHBondContact O-N 2.88Å; Y98-A155 HydrophobicContact CD1-CB 3.92Å; Y98-V156 HydrophobicContact CD1-CG2 3.66Å; Y98-V156 HydrophobicContact CE1-CB 4.38Å; Y98-V156 HydrophobicContact CE1-CG2 3.68Å; Y98-V156 HydrophobicContact CG-CG2 4.32Å
99	G	88.8	Confident	95	Very high	16 Å²	16	33.5 Å²	33.5	17%	0.165	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.2	-26	173.8	0	0	0	0	0	115.4	H97 Y172	H97-G99 VanDerWaalsContact C-N 3.3Å; H97-G99 PolarHBondContact O-N 3.46Å; G99-Y172 PolarHBondContact N-OH 3.28Å; G99-Y172 VanDerWaalsContact N-OH 3.13Å
100	L	91.4	Very high	95.1	Very high	30 Å²	30	33.2 Å²	33.2	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	173.6	-176.4	65.1	144.9	0	0	0	113.4	P87 Y96 H97 T102 V149 G150 M151	P87-L100 HydrophobicContact CG-CD1 3.51Å; Y96-L100 CarbonylContact C-O 3.59Å; Y96-L100 WeakPolarHBondContact CA-O 2.93Å; H97-L100 PolarHBondContact N-O 2.71Å; L100-T102 HydrophobicContact CD1-CG2 3.9Å; L100-T102 HydrophobicContact CG-CG2 3.94Å; L100-T102 PolarHBondContact O-N 3.16Å; L100-V149 HydrophobicContact CD1-CB 4.37Å; L100-V149 HydrophobicContact CD1-CG2 3.95Å; L100-V149 WeakPolarHBondContact CD1-O 3.49Å; L100-G150 VanDerWaalsContact CD2-O 3.29Å; L100-G150 WeakPolarHBondContact CD2-O 3.16Å; L100-M151 HydrophobicContact CD2-CB 4.26Å; L100-M151 HydrophobicContact CD2-CG 3.64Å
101	L	92.4	Very high	95.1	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.12	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.6	175.8	-73.4	177.5	0	0	0	111.3	E84 P87 V93 G95 Y96	E84-L101 VanDerWaalsContact CD-CD1 3.4Å; E84-L101 HydrophobicContact CG-CD1 4.42Å; E84-L101 WeakPolarHBondContact OE2-CD1 3.29Å; P87-L101 VanDerWaalsContact CD-O 3.27Å; P87-L101 WeakPolarHBondContact CD-O 3.4Å; V93-L101 HydrophobicContact CG1-CB 3.76Å; V93-L101 HydrophobicContact CG1-CD2 3.81Å; V93-L101 HydrophobicContact CG1-CG 4.22Å; V93-L101 HydrophobicContact CG2-CB 4.16Å; G95-L101 WeakPolarHBondContact O-CA 2.92Å; Y96-L101 HydrophobicContact CD1-CD2 4.28Å; Y96-L101 HydrophobicContact CD1-CG 4.29Å; Y96-L101 HydrophobicContact CD2-CD2 3.38Å; Y96-L101 HydrophobicContact CD2-CG 4.13Å; Y96-L101 HydrophobicContact CE1-CD2 4.35Å; Y96-L101 HydrophobicContact CE1-CG 4.04Å; Y96-L101 HydrophobicContact CE2-CD1 4.3Å; Y96-L101 HydrophobicContact CE2-CD2 3.46Å; Y96-L101 VanDerWaalsContact CE2-CD2 3.46Å; Y96-L101 HydrophobicContact CE2-CG 3.87Å; Y96-L101 HydrophobicContact CG-CD2 3.82Å; Y96-L101 HydrophobicContact CG-CG 4.33Å
102	T	96	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170.9	178.9	55.6	0	0	0	0	111.6	S94 G95 H97 L100 M151	S94-T102 PolarHBondContact N-O 3.05Å; G95-T102 PolarHBondContact O-N 3.31Å; H97-T102 WeakPolarHBondContact CB-OG1 3.47Å; H97-T102 PolarHBondContact CD2-O 3.44Å; H97-T102 PolarHBondContact CD2-OG1 3.03Å; L100-T102 HydrophobicContact CD1-CG2 3.9Å; L100-T102 HydrophobicContact CG-CG2 3.94Å; L100-T102 PolarHBondContact O-N 3.16Å; T102-M151 HydrophobicContact CG2-SD 4.29Å
103	C	97.6	Very high	95.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.183	C	C	.	.			trans	-81.9	160.9	174	71.1	0	0	0	0	112.3	C86 D91 K92 S105 C106 K107 R135	C86-C103 HydrophobicContact CB-CB 3.82Å; C86-C103 PolarHBondContact SG-N 3.1Å; C86-C103 VanDerWaalsContact SG-N 3.4Å; D91-C103 HydrophobicContact CB-CB 3.94Å; K92-C103 WeakPolarHBondContact O-CA 3.49Å; K92-C103 WeakPolarHBondContact O-CB 3.33Å; C103-S105 PolarHBondContact O-N 2.87Å; C103-C106 PolarHBondContact O-N 2.6Å; C103-C106 VanDerWaalsContact SG-SG 3.64Å; C103-K107 PolarHBondContact O-N 3.04Å; C103-K107 VanDerWaalsContact O-N 3.09Å; C103-R135 PolarHBondContact SG-NH1 2.84Å; C103-R135 VanDerWaalsContact SG-NH1 3.39Å
104	E	97.6	Very high	95.2	Very high	103 Å²	103	35.8 Å²	35.8	48%	0.481	19%	0.185	S	C	.	.	H	α-helix	trans	-60.7	-31.7	-178.3	-163.9	61.2	-154.1	0	0	112.9	S94 H97 K107 G108	S94-E104 PolarHBondContact OG-N 2.81Å; S94-E104 PolarHBondContact OG-OE2 2.91Å; H97-E104 IonicContact CE1-OE2 3.47Å; H97-E104 IonicContact NE2-OE2 2.78Å; E104-K107 VanDerWaalsContact CD-NZ 3.29Å; E104-K107 VanDerWaalsContact OE1-CD 3.25Å; E104-K107 WeakPolarHBondContact OE1-CD 3.29Å; E104-K107 WeakPolarHBondContact OE1-CE 3.37Å; E104-K107 IonicContact OE1-NZ 2.64Å; E104-K107 PolarHBondContact OE1-NZ 2.94Å; E104-K107 WeakPolarHBondContact OE2-CD 3.23Å; E104-K107 IonicContact OE2-NZ 3.59Å; E104-K107 PolarHBondContact OE2-NZ 3.2Å; E104-G108 PolarHBondContact O-N 2.56Å
105	S	97.7	Very high	95.1	Very high	35 Å²	35	35.5 Å²	35.5	25%	0.245	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-44.9	178.6	-171.1	0	0	0	0	112.5	C103 G108 F109 R135 R142	C103-S105 PolarHBondContact O-N 2.87Å; S105-G108 PolarHBondContact O-N 2.92Å; S105-F109 VanDerWaalsContact O-CB 3.3Å; S105-F109 WeakPolarHBondContact O-CB 3.44Å; S105-F109 PolarHBondContact O-N 3.43Å; S105-R135 VanDerWaalsContact CB-NH1 3.32Å; S105-R135 VanDerWaalsContact CB-NH2 3.3Å; S105-R135 VanDerWaalsContact OG-CZ 3.31Å; S105-R135 PolarHBondContact OG-NE 2.84Å; S105-R135 PolarHBondContact OG-NH2 3.24Å; S105-R142 PolarHBondContact O-NH2 2.94Å; S105-R142 PolarHBondContact OG-NH2 3.33Å
106	C	98.4	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72	-36.2	-180	-69.3	0	0	0	0	111.6	V88 C103 F109 F110 R142	V88-C106 HydrophobicContact CB-CB 4.39Å; V88-C106 HydrophobicContact CG2-CB 4.45Å; C103-C106 PolarHBondContact O-N 2.6Å; C103-C106 VanDerWaalsContact SG-SG 3.64Å; C106-F109 PolarHBondContact O-N 2.94Å; C106-F110 VanDerWaalsContact O-CB 3.27Å; C106-F110 WeakPolarHBondContact O-CB 3.35Å; C106-F110 PolarHBondContact O-N 3.35Å; C106-R142 PolarHBondContact SG-NH2 3.01Å; C106-R142 VanDerWaalsContact SG-NH2 3.35Å
107	K	97.6	Very high	95.3	Very high	55 Å²	55	41.7 Å²	41.7	24%	0.239	21%	0.208	C	C	.	.	H	α-helix	trans	-53.1	-56	167.2	172.7	-155.9	-168.7	-179	0	111.9	H97 Y98 C103 E104 F109 F110 K111	H97-K107 HydrophobicContact CB-CB 3.86Å; H97-K107 HydrophobicContact CB-CD 4.46Å; H97-K107 HydrophobicContact CB-CG 3.81Å; H97-K107 VanDerWaalsContact ND1-CD 3.32Å; H97-K107 WeakPolarHBondContact ND1-CD 3.34Å; H97-K107 VanDerWaalsContact ND1-CE 3.32Å; H97-K107 WeakPolarHBondContact ND1-CE 3.46Å; Y98-K107 HydrophobicContact CD2-CG 4.49Å; Y98-K107 HydrophobicContact CE2-CB 4.39Å; Y98-K107 HydrophobicContact CE2-CG 3.73Å; Y98-K107 WeakPolarHBondContact CE2-O 3.5Å; C103-K107 PolarHBondContact O-N 3.04Å; C103-K107 VanDerWaalsContact O-N 3.09Å; E104-K107 VanDerWaalsContact CD-NZ 3.29Å; E104-K107 VanDerWaalsContact OE1-CD 3.25Å; E104-K107 WeakPolarHBondContact OE1-CD 3.29Å; E104-K107 WeakPolarHBondContact OE1-CE 3.37Å; E104-K107 IonicContact OE1-NZ 2.64Å; E104-K107 PolarHBondContact OE1-NZ 2.94Å; E104-K107 WeakPolarHBondContact OE2-CD 3.23Å; E104-K107 IonicContact OE2-NZ 3.59Å; E104-K107 PolarHBondContact OE2-NZ 3.2Å; K107-F109 PolarHBondContact O-N 2.95Å; K107-F110 PolarHBondContact O-N 3.3Å; K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 PolarHBondContact O-N 3.45Å
108	G	97.3	Very high	95.4	Very high	16 Å²	16	45.9 Å²	45.9	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-39.1	-177.4	0	0	0	0	0	112.9	E104 S105 R112	E104-G108 PolarHBondContact O-N 2.56Å; S105-G108 PolarHBondContact O-N 2.92Å; G108-R112 WeakPolarHBondContact O-CG 3.4Å; G108-R112 PolarHBondContact O-N 2.88Å; G108-R112 VanDerWaalsContact O-N 3.12Å; G108-R112 PolarHBondContact O-NH1 3.34Å
109	F	98.5	Very high	95.5	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.066	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-55.2	174.4	172.8	-104.1	0	0	0	111.2	S105 C106 K107 K111 R112 T113 Y120 P139 R142 F143	S105-F109 VanDerWaalsContact O-CB 3.3Å; S105-F109 WeakPolarHBondContact O-CB 3.44Å; S105-F109 PolarHBondContact O-N 3.43Å; C106-F109 PolarHBondContact O-N 2.94Å; K107-F109 PolarHBondContact O-N 2.95Å; F109-K111 PolarHBondContact O-N 2.95Å; F109-R112 PolarHBondContact O-N 2.98Å; F109-T113 PolarHBondContact O-N 3.37Å; F109-T113 PolarHBondContact O-OG1 2.92Å; F109-Y120 AromaticContact CE2-CE2 3.91Å; F109-Y120 HydrophobicContact CE2-CE2 3.91Å; F109-Y120 HydrophobicContact CZ-CD2 4.42Å; F109-Y120 AromaticContact CZ-CE2 3.81Å; F109-Y120 HydrophobicContact CZ-CE2 3.81Å; F109-P139 HydrophobicContact CE2-CB 4.03Å; F109-P139 HydrophobicContact CZ-CB 4.19Å; F109-P139 WeakPolarHBondContact CZ-O 3.4Å; F109-R142 HydrophobicContact CD1-CG 4Å; F109-R142 HydrophobicContact CE1-CB 3.99Å; F109-R142 HydrophobicContact CE1-CG 3.76Å; F109-R142 HydrophobicContact CZ-CB 4.15Å; F109-R142 HydrophobicContact CZ-CG 4.29Å; F109-F143 HydrophobicContact CE1-CB 3.77Å; F109-F143 HydrophobicContact CE1-CD2 4.18Å; F109-F143 HydrophobicContact CE1-CG 4.46Å; F109-F143 HydrophobicContact CZ-CB 3.89Å
110	F	98	Very high	95.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-47.3	-179.6	-169.3	-98.5	0	0	0	111.9	Y98 C106 K107 R112 T113 V114 F143 C146 L147 M151 K152 L153 V156	Y98-F110 HydrophobicContact CD1-CD1 4.49Å; Y98-F110 AromaticContact CD2-CD1 3.78Å; Y98-F110 HydrophobicContact CD2-CD1 3.78Å; Y98-F110 HydrophobicContact CE2-CD1 4.37Å; Y98-F110 AromaticContact CG-CD1 3.84Å; Y98-F110 HydrophobicContact CG-CD1 3.84Å; Y98-F110 HydrophobicContact CG-CE1 4.15Å; C106-F110 VanDerWaalsContact O-CB 3.27Å; C106-F110 WeakPolarHBondContact O-CB 3.35Å; C106-F110 PolarHBondContact O-N 3.35Å; K107-F110 PolarHBondContact O-N 3.3Å; F110-R112 PolarHBondContact O-N 3.18Å; F110-T113 PolarHBondContact O-N 3.43Å; F110-V114 HydrophobicContact CD1-CG2 4.23Å; F110-V114 HydrophobicContact CE1-CG2 3.99Å; F110-V114 HydrophobicContact CE2-CG2 4.44Å; F110-V114 HydrophobicContact CZ-CG2 4.11Å; F110-V114 VanDerWaalsContact O-CG2 3.32Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.29Å; F110-F143 HydrophobicContact CD2-CD2 4.07Å; F110-F143 AromaticContact CD2-CE2 3.72Å; F110-F143 HydrophobicContact CD2-CE2 3.72Å; F110-F143 HydrophobicContact CE2-CD2 4.38Å; F110-F143 AromaticContact CE2-CE2 3.73Å; F110-F143 HydrophobicContact CE2-CE2 3.73Å; F110-C146 HydrophobicContact CD2-CB 3.62Å; F110-C146 HydrophobicContact CE2-CB 4.05Å; F110-L147 HydrophobicContact CE2-CD2 3.84Å; F110-L147 HydrophobicContact CZ-CD2 4.22Å; F110-M151 HydrophobicContact CB-CE 3.59Å; F110-M151 HydrophobicContact CB-SD 4.04Å; F110-M151 HydrophobicContact CD1-CB 4.36Å; F110-M151 HydrophobicContact CD1-CE 3.89Å; F110-M151 HydrophobicContact CD2-CB 3.85Å; F110-M151 HydrophobicContact CD2-CE 4.22Å; F110-M151 HydrophobicContact CD2-SD 3.96Å; F110-M151 HydrophobicContact CE1-CB 4.06Å; F110-M151 HydrophobicContact CE2-CB 3.51Å; F110-M151 HydrophobicContact CG-CB 4.25Å; F110-M151 HydrophobicContact CG-CE 3.64Å; F110-M151 HydrophobicContact CG-SD 3.98Å; F110-M151 HydrophobicContact CZ-CB 3.62Å; F110-M151 WeakPolarHBondContact CZ-O 3.38Å; F110-K152 WeakPolarHBondContact CE1-O 3.48Å; F110-L153 HydrophobicContact CE2-CD2 4.36Å; F110-L153 HydrophobicContact CZ-CD2 3.91Å; F110-L153 HydrophobicContact CZ-CG 4.45Å; F110-V156 HydrophobicContact CD1-CG2 3.81Å; F110-V156 HydrophobicContact CE1-CG2 3.68Å
111	K	95.7	Very high	96.1	Very high	90 Å²	90	61.5 Å²	61.5	39%	0.391	29%	0.292	S	S	.	.	H	α-helix	trans	-54.2	-51.3	175.8	-171.9	-176	175.6	179.3	0	112.2	Y98 K107 F109 T113 V114 Q115	Y98-K111 HydrophobicContact CE2-CB 4.25Å; Y98-K111 WeakPolarHBondContact OH-CB 3.31Å; Y98-K111 WeakPolarHBondContact OH-CD 3.28Å; Y98-K111 WeakPolarHBondContact OH-CG 3.36Å; K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 PolarHBondContact O-N 3.45Å; F109-K111 PolarHBondContact O-N 2.95Å; K111-T113 VanDerWaalsContact C-N 3.35Å; K111-V114 PolarHBondContact O-N 2.83Å; K111-Q115 HydrophobicContact CG-CG 4.21Å; K111-Q115 VanDerWaalsContact O-CB 3.3Å; K111-Q115 WeakPolarHBondContact O-CB 3.48Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 3.46Å
112	R	96.3	Very high	96.4	Very high	140 Å²	140	61.2 Å²	61.2	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-68.1	-35.3	-177.4	-73	-171.4	-58.8	-87.3	-1.2	112.4	G108 F109 F110 N116	G108-R112 WeakPolarHBondContact O-CG 3.4Å; G108-R112 PolarHBondContact O-N 2.88Å; G108-R112 VanDerWaalsContact O-N 3.12Å; G108-R112 PolarHBondContact O-NH1 3.34Å; F109-R112 PolarHBondContact O-N 2.98Å; F110-R112 PolarHBondContact O-N 3.18Å; R112-N116 WeakPolarHBondContact O-CB 3.41Å; R112-N116 PolarHBondContact O-N 3.47Å; R112-N116 PolarHBondContact O-ND2 2.93Å
113	T	97.2	Very high	96.3	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-49.5	176.6	-56.8	0	0	0	0	110.3	F109 F110 K111 N117 K118 Y120 F143	F109-T113 PolarHBondContact O-N 3.37Å; F109-T113 PolarHBondContact O-OG1 2.92Å; F110-T113 PolarHBondContact O-N 3.43Å; K111-T113 VanDerWaalsContact C-N 3.35Å; T113-N117 WeakPolarHBondContact O-CA 3.32Å; T113-N117 PolarHBondContact O-N 3.36Å; T113-K118 HydrophobicContact CG2-CB 4.18Å; T113-K118 PolarHBondContact O-N 3.31Å; T113-Y120 HydrophobicContact CG2-CD2 4.27Å; T113-Y120 HydrophobicContact CG2-CE2 3.58Å; T113-Y120 PolarHBondContact OG1-OH 3.49Å; T113-F143 HydrophobicContact CG2-CD1 3.94Å; T113-F143 HydrophobicContact CG2-CD2 3.49Å; T113-F143 VanDerWaalsContact CG2-CD2 3.49Å; T113-F143 HydrophobicContact CG2-CE1 3.88Å; T113-F143 HydrophobicContact CG2-CE2 3.43Å; T113-F143 VanDerWaalsContact CG2-CE2 3.43Å; T113-F143 HydrophobicContact CG2-CG 3.74Å; T113-F143 HydrophobicContact CG2-CZ 3.63Å
114	V	95.4	Very high	96.1	Very high	40 Å²	40	74.9 Å²	74.9	24%	0.242	36%	0.359	C	S	.	.	H	α-helix	trans	-71.8	-50	-177.5	179.8	0	0	0	0	112	F110 K111 N116 N117 F143 L153 V156	F110-V114 HydrophobicContact CD1-CG2 4.23Å; F110-V114 HydrophobicContact CE1-CG2 3.99Å; F110-V114 HydrophobicContact CE2-CG2 4.44Å; F110-V114 HydrophobicContact CZ-CG2 4.11Å; F110-V114 VanDerWaalsContact O-CG2 3.32Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.29Å; K111-V114 PolarHBondContact O-N 2.83Å; V114-N116 VanDerWaalsContact C-N 3.27Å; V114-N116 PolarHBondContact O-N 3.36Å; V114-N117 PolarHBondContact O-N 3.02Å; V114-N117 VanDerWaalsContact O-N 3.13Å; V114-F143 HydrophobicContact CG2-CE2 4.08Å; V114-F143 HydrophobicContact CG2-CZ 4.18Å; V114-L153 HydrophobicContact CG1-CD2 4.32Å; V114-L153 HydrophobicContact CG2-CD2 3.4Å; V114-V156 HydrophobicContact CB-CB 4.13Å; V114-V156 HydrophobicContact CB-CG1 4.05Å; V114-V156 HydrophobicContact CB-CG2 3.95Å; V114-V156 HydrophobicContact CG1-CB 3.72Å; V114-V156 HydrophobicContact CG1-CG1 3.9Å; V114-V156 HydrophobicContact CG1-CG2 3.98Å; V114-V156 HydrophobicContact CG2-CG2 4.14Å
115	Q	92.9	Very high	95.9	Very high	59 Å²	59	77.3 Å²	77.3	28%	0.276	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-29.8	-176.6	-71.5	-168.4	-41.8	0	0	113.9	K111 V156 R157	K111-Q115 HydrophobicContact CG-CG 4.21Å; K111-Q115 VanDerWaalsContact O-CB 3.3Å; K111-Q115 WeakPolarHBondContact O-CB 3.48Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 3.46Å; Q115-V156 HydrophobicContact CG-CG1 3.41Å; Q115-V156 VanDerWaalsContact CG-CG1 3.41Å; Q115-R157 PolarHBondContact NE2-O 3.4Å
116	N	93.3	Very high	95.7	Very high	71 Å²	71	81.6 Å²	81.6	38%	0.38	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.9	179.1	-53.1	-57.7	0	0	0	112.3	R112 V114 K118	R112-N116 WeakPolarHBondContact O-CB 3.41Å; R112-N116 PolarHBondContact O-N 3.47Å; R112-N116 PolarHBondContact O-ND2 2.93Å; V114-N116 VanDerWaalsContact C-N 3.27Å; V114-N116 PolarHBondContact O-N 3.36Å; N116-K118 HydrophobicContact CB-CD 4.21Å; N116-K118 HydrophobicContact CB-CG 4.05Å; N116-K118 PolarHBondContact O-N 3.42Å; N116-K118 VanDerWaalsContact O-N 3.11Å
117	N	93.1	Very high	95.5	Very high	122 Å²	122	88 Å²	88	65%	0.652	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	45.3	-179	-163.5	20.5	0	0	0	113	T113 V114 R119	T113-N117 WeakPolarHBondContact O-CA 3.32Å; T113-N117 PolarHBondContact O-N 3.36Å; V114-N117 PolarHBondContact O-N 3.02Å; V114-N117 VanDerWaalsContact O-N 3.13Å; N117-R119 PolarHBondContact O-N 2.9Å
118	K	95.8	Very high	95.5	Very high	110 Å²	110	86.4 Å²	86.4	48%	0.478	42%	0.421	S	S	.	.			trans	-72.7	126.1	-175.7	-64.1	-62.2	-171.8	-178.3	0	109.8	T113 N116 Y120	T113-K118 HydrophobicContact CG2-CB 4.18Å; T113-K118 PolarHBondContact O-N 3.31Å; N116-K118 HydrophobicContact CB-CD 4.21Å; N116-K118 HydrophobicContact CB-CG 4.05Å; N116-K118 PolarHBondContact O-N 3.42Å; N116-K118 VanDerWaalsContact O-N 3.11Å; K118-Y120 HydrophobicContact CB-CE1 4.19Å; K118-Y120 HydrophobicContact CB-CE2 4.1Å
119	R	94.6	Very high	95.4	Very high	219 Å²	219	91.8 Å²	91.8	83%	0.826	44%	0.442	S	S	*	.			trans	-102	127.3	170.2	-61.9	-175.5	176.1	-150.1	-1.6	108.5	N117	N117-R119 PolarHBondContact O-N 2.9Å
120	Y	97.2	Very high	95.4	Very high	70 Å²	70	91.5 Å²	91.5	28%	0.275	44%	0.441	S	S	.	.			trans	-111.9	155.9	177	-59.1	-61	0	0	0	109.1	F109 T113 K118 P139 Y140 F143	F109-Y120 AromaticContact CE2-CE2 3.91Å; F109-Y120 HydrophobicContact CE2-CE2 3.91Å; F109-Y120 HydrophobicContact CZ-CD2 4.42Å; F109-Y120 AromaticContact CZ-CE2 3.81Å; F109-Y120 HydrophobicContact CZ-CE2 3.81Å; T113-Y120 HydrophobicContact CG2-CD2 4.27Å; T113-Y120 HydrophobicContact CG2-CE2 3.58Å; T113-Y120 PolarHBondContact OG1-OH 3.49Å; K118-Y120 HydrophobicContact CB-CE1 4.19Å; K118-Y120 HydrophobicContact CB-CE2 4.1Å; Y120-P139 HydrophobicContact CD1-CB 3.71Å; Y120-P139 HydrophobicContact CD1-CG 3.65Å; Y120-P139 HydrophobicContact CD2-CB 3.94Å; Y120-P139 HydrophobicContact CE1-CB 3.84Å; Y120-P139 HydrophobicContact CE1-CG 4.1Å; Y120-P139 HydrophobicContact CE2-CB 4.05Å; Y120-P139 HydrophobicContact CG-CB 3.76Å; Y120-P139 HydrophobicContact CG-CG 3.94Å; Y120-Y140 VanDerWaalsContact O-CD2 3.27Å; Y120-Y140 WeakPolarHBondContact O-CD2 3.31Å; Y120-F143 HydrophobicContact CD2-CB 4.36Å
121	T	96.4	Very high	95.3	Very high	121 Å²	121	94 Å²	94	74%	0.742	46%	0.455	S	S	*	.			trans	-125.1	135.3	173	-53	0	0	0	0	108
122	C	97.1	Very high	95.3	Very high	16 Å²	16	95.5 Å²	95.5	11%	0.108	46%	0.461	C	S	.	.			trans	-75	139.1	171.4	-164.1	0	0	0	0	109.6	E124 Q126 C128 Y140 C141	C122-E124 PolarHBondContact SG-N 2.92Å; C122-E124 VanDerWaalsContact SG-N 3.4Å; C122-Q126 HydrophobicContact CB-CG 3.8Å; C122-Q126 PolarHBondContact SG-N 3.4Å; C122-C128 VanDerWaalsContact SG-SG 3.63Å; C122-Y140 HydrophobicContact CB-CD1 3.59Å; C122-Y140 HydrophobicContact CB-CE1 4.23Å; C122-Y140 HydrophobicContact CB-CG 3.97Å; C122-C141 VanDerWaalsContact SG-SG 3.66Å
123	I	94.8	Very high	95.3	Very high	175 Å²	175	94.8 Å²	94.8	90%	0.897	47%	0.472	S	S	*	.	S	Bend	trans	-92.6	-12.4	175.4	-54.7	171.1	0	0	0	110.7
124	E	93.8	Very high	95.1	Very high	113 Å²	113	97.9 Å²	97.9	53%	0.528	49%	0.486	S	S	.	.	S	Bend	trans	-113.2	-150.5	177.4	-58.4	178	-178.6	0	0	110	C122 Q126 C128	C122-E124 PolarHBondContact SG-N 2.92Å; C122-E124 VanDerWaalsContact SG-N 3.4Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.16Å; E124-C128 PolarHBondContact OE2-SG 3.47Å
125	N	92.9	Very high	95.1	Very high	154 Å²	154	97.3 Å²	97.3	82%	0.824	48%	0.48	S	S	*	.	S	Bend	trans	-91	31.1	-170.8	-57.6	-12.3	0	0	0	113.8	N127	N125-N127 PolarHBondContact O-N 3.34Å
126	Q	93.8	Very high	95.3	Very high	126 Å²	126	102.8 Å²	102.8	59%	0.589	50%	0.503	S	S	*	.	S	Bend	trans	55.4	16.4	-178.5	-59.5	-178.1	25.7	0	0	115.8	C122 E124 Y140	C122-Q126 HydrophobicContact CB-CG 3.8Å; C122-Q126 PolarHBondContact SG-N 3.4Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.16Å; Q126-Y140 HydrophobicContact CB-CE1 3.84Å; Q126-Y140 HydrophobicContact CG-CD1 4.29Å; Q126-Y140 HydrophobicContact CG-CE1 3.62Å; Q126-Y140 PolarHBondContact OE1-OH 3.04Å
127	N	94.8	Very high	95.4	Very high	133 Å²	133	108.5 Å²	108.5	71%	0.711	52%	0.519	S	S	*	.			trans	-125.9	33.8	-177.6	-164.8	24.7	0	0	0	112.5	N125	N125-N127 PolarHBondContact O-N 3.34Å
128	C	96.6	Very high	95.7	Very high	22 Å²	22	103.2 Å²	103.2	15%	0.149	49%	0.492	C	S	.	.			trans	-67.8	135.3	-177.7	-52.5	0	0	0	0	110.9	C122 E124 C138 C141	C122-C128 VanDerWaalsContact SG-SG 3.63Å; E124-C128 PolarHBondContact OE2-SG 3.47Å; C128-C138 HydrophobicContact CB-CB 3.77Å; C128-C141 HydrophobicContact CB-CB 3.85Å; C128-C141 PolarHBondContact N-SG 2.92Å
129	Q	95.4	Very high	95.8	Very high	130 Å²	130	100 Å²	100	61%	0.607	48%	0.482	S	S	*	.			trans	-65.8	133.9	176.2	-67.7	-62.5	-21.2	0	0	111.5	Q134	Q129-Q134 WeakPolarHBondContact O-CG 3.49Å
130	I	97.6	Very high	95.9	Very high	9 Å²	9	91.9 Å²	91.9	5%	0.046	45%	0.452	C	S	.	.			trans	-119.1	106.9	-179	-52	-60.3	0	0	0	109.1	V88 C89 R135 C141 R142 K145	V88-I130 HydrophobicContact CG1-CG2 4.14Å; V88-I130 VanDerWaalsContact O-CG2 3.27Å; V88-I130 WeakPolarHBondContact O-CG2 3.34Å; C89-I130 HydrophobicContact CB-CG2 4.13Å; I130-R135 HydrophobicContact CG2-CB 3.82Å; I130-C141 HydrophobicContact CD1-CB 4.05Å; I130-R142 HydrophobicContact CD1-CB 3.98Å; I130-R142 HydrophobicContact CG2-CG 4.12Å; I130-K145 HydrophobicContact CB-CD 3.81Å; I130-K145 HydrophobicContact CG1-CD 4.02Å; I130-K145 HydrophobicContact CG2-CD 4.36Å; I130-K145 PolarHBondContact O-NZ 3.46Å
131	D	96.4	Very high	96	Very high	53 Å²	53	89 Å²	89	28%	0.283	44%	0.441	S	S	.	.			trans	-131.6	-177.6	173.7	65.9	39.5	0	0	0	111.5	C89 T133 Q134 R135	C89-D131 CarbonylContact O-C 3.19Å; C89-D131 VanDerWaalsContact O-CA 3.28Å; C89-D131 WeakPolarHBondContact O-CA 3.44Å; D131-T133 VanDerWaalsContact C-N 3.28Å; D131-T133 PolarHBondContact O-N 3.42Å; D131-T133 PolarHBondContact OD1-N 3.1Å; D131-T133 PolarHBondContact OD1-OG1 3.27Å; D131-Q134 WeakPolarHBondContact OD1-CG 3.35Å; D131-Q134 PolarHBondContact OD1-N 3.17Å; D131-Q134 PolarHBondContact OD2-NE2 3.02Å; D131-R135 WeakPolarHBondContact O-CB 3.47Å; D131-R135 VanDerWaalsContact O-CG 3.25Å; D131-R135 WeakPolarHBondContact O-CG 3.3Å; D131-R135 PolarHBondContact O-N 2.76Å
132	K	95.8	Very high	96.1	Very high	121 Å²	121	83.7 Å²	83.7	53%	0.526	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.2	-176.4	-179.4	172.9	178.3	154	0	113.1	C89 D91 R135	C89-K132 PolarHBondContact O-N 2.79Å; D91-K132 HydrophobicContact CB-CB 4.4Å; D91-K132 HydrophobicContact CB-CD 4.25Å; D91-K132 HydrophobicContact CB-CG 4.21Å; D91-K132 WeakPolarHBondContact OD1-CD 3.3Å; D91-K132 WeakPolarHBondContact OD1-CE 3.47Å; D91-K132 IonicContact OD1-NZ 2.8Å; D91-K132 PolarHBondContact OD1-NZ 2.69Å; K132-R135 PolarHBondContact O-NE 3.36Å
133	T	95.6	Very high	96.1	Very high	124 Å²	124	84.5 Å²	84.5	76%	0.761	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-41.4	-173.1	62.1	0	0	0	0	111.3	D131	D131-T133 VanDerWaalsContact C-N 3.28Å; D131-T133 PolarHBondContact O-N 3.42Å; D131-T133 PolarHBondContact OD1-N 3.1Å; D131-T133 PolarHBondContact OD1-OG1 3.27Å
134	Q	93.9	Very high	96.3	Very high	67 Å²	67	80.1 Å²	80.1	31%	0.313	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	2.5	-172.8	79.4	-171.4	-51.3	0	0	115.4	Q129 D131 K136 R137	Q129-Q134 WeakPolarHBondContact O-CG 3.49Å; D131-Q134 WeakPolarHBondContact OD1-CG 3.35Å; D131-Q134 PolarHBondContact OD1-N 3.17Å; D131-Q134 PolarHBondContact OD2-NE2 3.02Å; Q134-K136 PolarHBondContact O-N 3.13Å; Q134-R137 VanDerWaalsContact O-CB 3.25Å; Q134-R137 WeakPolarHBondContact O-CB 3.41Å; Q134-R137 PolarHBondContact O-N 2.86Å
135	R	96.1	Very high	96.5	Very high	29 Å²	29	77.8 Å²	77.8	11%	0.109	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-11.6	174.6	59.2	-171.4	-174.4	-173	-5.1	115.9	C89 D91 C103 S105 I130 D131 K132 R142	C89-R135 HydrophobicContact CB-CB 4.29Å; C89-R135 PolarHBondContact SG-NH1 2.85Å; D91-R135 IonicContact OD2-CZ 2.82Å; D91-R135 IonicContact OD2-NH1 2.84Å; D91-R135 PolarHBondContact OD2-NH1 3.34Å; D91-R135 IonicContact OD2-NH2 3.34Å; D91-R135 PolarHBondContact OD2-NH2 2.63Å; C103-R135 PolarHBondContact SG-NH1 2.84Å; C103-R135 VanDerWaalsContact SG-NH1 3.39Å; S105-R135 VanDerWaalsContact CB-NH1 3.32Å; S105-R135 VanDerWaalsContact CB-NH2 3.3Å; S105-R135 VanDerWaalsContact OG-CZ 3.31Å; S105-R135 PolarHBondContact OG-NE 2.84Å; S105-R135 PolarHBondContact OG-NH2 3.24Å; I130-R135 HydrophobicContact CG2-CB 3.82Å; D131-R135 WeakPolarHBondContact O-CB 3.47Å; D131-R135 VanDerWaalsContact O-CG 3.25Å; D131-R135 WeakPolarHBondContact O-CG 3.3Å; D131-R135 PolarHBondContact O-N 2.76Å; K132-R135 PolarHBondContact O-NE 3.36Å; R135-R142 VanDerWaalsContact O-CD 3.27Å; R135-R142 WeakPolarHBondContact O-CD 3.24Å; R135-R142 PolarHBondContact O-NH1 3.38Å
136	K	95.9	Very high	96.7	Very high	174 Å²	174	70.5 Å²	70.5	76%	0.757	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-15.6	175.4	-65.4	-177.5	-177.6	177	0	113.2	Q134	Q134-K136 PolarHBondContact O-N 3.13Å
137	R	96.8	Very high	96.8	Very high	191 Å²	191	67.1 Å²	67.1	72%	0.721	32%	0.32	S	S	*	.	S	Bend	trans	-68.4	-42.6	-170.9	-166	169.4	-167.5	156.2	4.1	112.9	Q134	Q134-R137 VanDerWaalsContact O-CB 3.25Å; Q134-R137 WeakPolarHBondContact O-CB 3.41Å; Q134-R137 PolarHBondContact O-N 2.86Å
138	C	97.8	Very high	96.8	Very high	11 Å²	11	65.4 Å²	65.4	7%	0.074	32%	0.318	C	S	.	.			trans	-128	99.3	177.4	-172.8	0	0	0	0	111.1	C128 Y140 C141 R142	C128-C138 HydrophobicContact CB-CB 3.77Å; C138-Y140 VanDerWaalsContact C-N 3.27Å; C138-Y140 PolarHBondContact O-N 2.98Å; C138-C141 HydrophobicContact CB-CB 4.17Å; C138-C141 PolarHBondContact SG-N 3.31Å; C138-C141 VanDerWaalsContact SG-N 3.43Å; C138-C141 PolarHBondContact SG-SG 2.89Å; C138-R142 WeakPolarHBondContact O-CB 3.23Å; C138-R142 PolarHBondContact O-N 3.44Å; C138-R142 VanDerWaalsContact O-N 3.09Å
139	P	97.6	Very high	96.6	Very high	42 Å²	42	66.4 Å²	66.4	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-27.4	177.7	27.7	-34	0	0	0	112.3	F109 Y120 F143	F109-P139 HydrophobicContact CE2-CB 4.03Å; F109-P139 HydrophobicContact CZ-CB 4.19Å; F109-P139 WeakPolarHBondContact CZ-O 3.4Å; Y120-P139 HydrophobicContact CD1-CB 3.71Å; Y120-P139 HydrophobicContact CD1-CG 3.65Å; Y120-P139 HydrophobicContact CD2-CB 3.94Å; Y120-P139 HydrophobicContact CE1-CB 3.84Å; Y120-P139 HydrophobicContact CE1-CG 4.1Å; Y120-P139 HydrophobicContact CE2-CB 4.05Å; Y120-P139 HydrophobicContact CG-CB 3.76Å; Y120-P139 HydrophobicContact CG-CG 3.94Å; P139-F143 WeakPolarHBondContact O-CB 3.17Å; P139-F143 PolarHBondContact O-N 3.27Å
140	Y	98.4	Very high	96.4	Very high	49 Å²	49	61.9 Å²	61.9	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-60.8	173.5	175.9	-89.8	0	0	0	111.2	Y120 C122 Q126 C138 R142 F143 Q144	Y120-Y140 VanDerWaalsContact O-CD2 3.27Å; Y120-Y140 WeakPolarHBondContact O-CD2 3.31Å; C122-Y140 HydrophobicContact CB-CD1 3.59Å; C122-Y140 HydrophobicContact CB-CE1 4.23Å; C122-Y140 HydrophobicContact CB-CG 3.97Å; Q126-Y140 HydrophobicContact CB-CE1 3.84Å; Q126-Y140 HydrophobicContact CG-CD1 4.29Å; Q126-Y140 HydrophobicContact CG-CE1 3.62Å; Q126-Y140 PolarHBondContact OE1-OH 3.04Å; C138-Y140 VanDerWaalsContact C-N 3.27Å; C138-Y140 PolarHBondContact O-N 2.98Å; Y140-R142 PolarHBondContact O-N 3.39Å; Y140-F143 PolarHBondContact O-N 2.91Å; Y140-Q144 HydrophobicContact CD1-CG 4.21Å; Y140-Q144 HydrophobicContact CE1-CG 3.77Å; Y140-Q144 HydrophobicContact CE2-CG 4.28Å; Y140-Q144 WeakPolarHBondContact O-CG 3.39Å; Y140-Q144 PolarHBondContact O-N 3.42Å
141	C	98	Very high	96.3	Very high	8 Å²	8	61.7 Å²	61.7	5%	0.054	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-34	-178.7	-64.1	0	0	0	0	111.6	C122 C128 I130 C138 K145	C122-C141 VanDerWaalsContact SG-SG 3.66Å; C128-C141 HydrophobicContact CB-CB 3.85Å; C128-C141 PolarHBondContact N-SG 2.92Å; I130-C141 HydrophobicContact CD1-CB 4.05Å; C138-C141 HydrophobicContact CB-CB 4.17Å; C138-C141 PolarHBondContact SG-N 3.31Å; C138-C141 VanDerWaalsContact SG-N 3.43Å; C138-C141 PolarHBondContact SG-SG 2.89Å; C141-K145 VanDerWaalsContact O-CB 3.29Å; C141-K145 WeakPolarHBondContact O-CB 3.37Å; C141-K145 PolarHBondContact O-N 3.39Å
142	R	98.4	Very high	96	Very high	10 Å²	10	62.2 Å²	62.2	4%	0.038	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-44.7	173.6	-168.8	-169.4	-171.2	161.2	-7.1	112.1	V88 S105 C106 F109 I130 R135 C138 Y140 K145 C146	V88-R142 HydrophobicContact CG1-CG 4.35Å; S105-R142 PolarHBondContact O-NH2 2.94Å; S105-R142 PolarHBondContact OG-NH2 3.33Å; C106-R142 PolarHBondContact SG-NH2 3.01Å; C106-R142 VanDerWaalsContact SG-NH2 3.35Å; F109-R142 HydrophobicContact CD1-CG 4Å; F109-R142 HydrophobicContact CE1-CB 3.99Å; F109-R142 HydrophobicContact CE1-CG 3.76Å; F109-R142 HydrophobicContact CZ-CB 4.15Å; F109-R142 HydrophobicContact CZ-CG 4.29Å; I130-R142 HydrophobicContact CD1-CB 3.98Å; I130-R142 HydrophobicContact CG2-CG 4.12Å; R135-R142 VanDerWaalsContact O-CD 3.27Å; R135-R142 WeakPolarHBondContact O-CD 3.24Å; R135-R142 PolarHBondContact O-NH1 3.38Å; C138-R142 WeakPolarHBondContact O-CB 3.23Å; C138-R142 PolarHBondContact O-N 3.44Å; C138-R142 VanDerWaalsContact O-N 3.09Å; Y140-R142 PolarHBondContact O-N 3.39Å; R142-K145 PolarHBondContact O-N 3.48Å; R142-C146 PolarHBondContact O-N 3.03Å; R142-C146 PolarHBondContact O-SG 2.98Å
143	F	98.4	Very high	95.8	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-69.2	-41.8	-179.8	-173.6	-122.1	0	0	0	111.8	F109 F110 T113 V114 Y120 P139 Y140 K145 C146 L147 L153	F109-F143 HydrophobicContact CE1-CB 3.77Å; F109-F143 HydrophobicContact CE1-CD2 4.18Å; F109-F143 HydrophobicContact CE1-CG 4.46Å; F109-F143 HydrophobicContact CZ-CB 3.89Å; F110-F143 HydrophobicContact CD2-CD2 4.07Å; F110-F143 AromaticContact CD2-CE2 3.72Å; F110-F143 HydrophobicContact CD2-CE2 3.72Å; F110-F143 HydrophobicContact CE2-CD2 4.38Å; F110-F143 AromaticContact CE2-CE2 3.73Å; F110-F143 HydrophobicContact CE2-CE2 3.73Å; T113-F143 HydrophobicContact CG2-CD1 3.94Å; T113-F143 HydrophobicContact CG2-CD2 3.49Å; T113-F143 VanDerWaalsContact CG2-CD2 3.49Å; T113-F143 HydrophobicContact CG2-CE1 3.88Å; T113-F143 HydrophobicContact CG2-CE2 3.43Å; T113-F143 VanDerWaalsContact CG2-CE2 3.43Å; T113-F143 HydrophobicContact CG2-CG 3.74Å; T113-F143 HydrophobicContact CG2-CZ 3.63Å; V114-F143 HydrophobicContact CG2-CE2 4.08Å; V114-F143 HydrophobicContact CG2-CZ 4.18Å; Y120-F143 HydrophobicContact CD2-CB 4.36Å; P139-F143 WeakPolarHBondContact O-CB 3.17Å; P139-F143 PolarHBondContact O-N 3.27Å; Y140-F143 PolarHBondContact O-N 2.91Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.91Å; F143-C146 WeakPolarHBondContact O-CB 3.33Å; F143-C146 PolarHBondContact O-N 3.35Å; F143-C146 VanDerWaalsContact O-N 3.12Å; F143-L147 HydrophobicContact CD1-CD1 4.28Å; F143-L147 HydrophobicContact CE1-CD1 3.96Å; F143-L147 HydrophobicContact CZ-CD1 4.27Å; F143-L147 HydrophobicContact CZ-CD2 4.43Å; F143-L147 HydrophobicContact CZ-CG 4.48Å; F143-L147 PolarHBondContact O-N 3.49Å; F143-L147 VanDerWaalsContact O-N 3.08Å; F143-L153 HydrophobicContact CZ-CD2 3.96Å
144	Q	97.9	Very high	95.5	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-44.1	171.8	-68.7	-56.8	-25.9	0	0	111.5	Y140 C146 L147 S148	Y140-Q144 HydrophobicContact CD1-CG 4.21Å; Y140-Q144 HydrophobicContact CE1-CG 3.77Å; Y140-Q144 HydrophobicContact CE2-CG 4.28Å; Y140-Q144 WeakPolarHBondContact O-CG 3.39Å; Y140-Q144 PolarHBondContact O-N 3.42Å; Q144-C146 VanDerWaalsContact C-N 3.33Å; Q144-C146 PolarHBondContact O-N 3.22Å; Q144-L147 PolarHBondContact O-N 2.9Å; Q144-L147 VanDerWaalsContact O-N 3.16Å; Q144-S148 PolarHBondContact O-N 3.49Å
145	K	97.8	Very high	95.3	Very high	64 Å²	64	57 Å²	57	28%	0.278	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-35.4	175.6	-165.5	171.1	-178	-176	0	112.9	P87 V88 I130 C141 R142 F143 L147 S148 V149	P87-K145 WeakPolarHBondContact O-CE 3.36Å; V88-K145 HydrophobicContact CG1-CB 4.48Å; V88-K145 HydrophobicContact CG1-CG 4.4Å; V88-K145 VanDerWaalsContact O-CD 3.27Å; V88-K145 WeakPolarHBondContact O-CD 3.36Å; V88-K145 WeakPolarHBondContact O-CE 3.48Å; V88-K145 PolarHBondContact O-NZ 2.92Å; I130-K145 HydrophobicContact CB-CD 3.81Å; I130-K145 HydrophobicContact CG1-CD 4.02Å; I130-K145 HydrophobicContact CG2-CD 4.36Å; I130-K145 PolarHBondContact O-NZ 3.46Å; C141-K145 VanDerWaalsContact O-CB 3.29Å; C141-K145 WeakPolarHBondContact O-CB 3.37Å; C141-K145 PolarHBondContact O-N 3.39Å; R142-K145 PolarHBondContact O-N 3.48Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.91Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-S148 WeakPolarHBondContact CA-OG 3.46Å; K145-S148 PolarHBondContact O-N 3.09Å; K145-S148 PolarHBondContact O-OG 3.31Å; K145-S148 VanDerWaalsContact O-OG 3.11Å; K145-V149 HydrophobicContact CG-CG1 4.34Å; K145-V149 WeakPolarHBondContact O-CG1 3.13Å; K145-V149 WeakPolarHBondContact O-CG2 3.44Å; K145-V149 PolarHBondContact O-N 3.29Å; K145-V149 VanDerWaalsContact O-N 3.07Å
146	C	97.8	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-44.7	172.2	-70.3	0	0	0	0	111.7	F110 R142 F143 Q144 V149 G150 M151	F110-C146 HydrophobicContact CD2-CB 3.62Å; F110-C146 HydrophobicContact CE2-CB 4.05Å; R142-C146 PolarHBondContact O-N 3.03Å; R142-C146 PolarHBondContact O-SG 2.98Å; F143-C146 WeakPolarHBondContact O-CB 3.33Å; F143-C146 PolarHBondContact O-N 3.35Å; F143-C146 VanDerWaalsContact O-N 3.12Å; Q144-C146 VanDerWaalsContact C-N 3.33Å; Q144-C146 PolarHBondContact O-N 3.22Å; C146-V149 WeakPolarHBondContact O-CG2 3.24Å; C146-G150 PolarHBondContact O-N 3.49Å; C146-M151 HydrophobicContact CB-CB 4.27Å; C146-M151 HydrophobicContact CB-CG 4.18Å; C146-M151 HydrophobicContact CB-SD 3.64Å; C146-M151 WeakPolarHBondContact O-CB 3.35Å; C146-M151 WeakPolarHBondContact O-CG 3.25Å; C146-M151 PolarHBondContact O-N 3.03Å
147	L	95.7	Very high	94.4	Very high	55 Å²	55	53.3 Å²	53.3	29%	0.288	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-44.1	178.1	-63.3	172.9	0	0	0	111.2	F110 F143 Q144 K145 V149 G150 L153	F110-L147 HydrophobicContact CE2-CD2 3.84Å; F110-L147 HydrophobicContact CZ-CD2 4.22Å; F143-L147 HydrophobicContact CD1-CD1 4.28Å; F143-L147 HydrophobicContact CE1-CD1 3.96Å; F143-L147 HydrophobicContact CZ-CD1 4.27Å; F143-L147 HydrophobicContact CZ-CD2 4.43Å; F143-L147 HydrophobicContact CZ-CG 4.48Å; F143-L147 PolarHBondContact O-N 3.49Å; F143-L147 VanDerWaalsContact O-N 3.08Å; Q144-L147 PolarHBondContact O-N 2.9Å; Q144-L147 VanDerWaalsContact O-N 3.16Å; K145-L147 VanDerWaalsContact C-N 3.34Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.47Å; L147-G150 WeakPolarHBondContact O-CA 3.19Å; L147-G150 PolarHBondContact O-N 3.36Å; L147-L153 HydrophobicContact CD2-CD1 4.37Å; L147-L153 HydrophobicContact CD2-CD2 3.88Å; L147-L153 HydrophobicContact CD2-CG 3.91Å
148	S	94.3	Very high	93.5	Very high	97 Å²	97	49.2 Å²	49.2	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-65.2	-34.6	-177.7	74.4	0	0	0	0	113.2	Q144 K145 G150	Q144-S148 PolarHBondContact O-N 3.49Å; K145-S148 WeakPolarHBondContact CA-OG 3.46Å; K145-S148 PolarHBondContact O-N 3.09Å; K145-S148 PolarHBondContact O-OG 3.31Å; K145-S148 VanDerWaalsContact O-OG 3.11Å; S148-G150 PolarHBondContact O-N 2.9Å
149	V	92.9	Very high	92.3	Very high	43 Å²	43	52.8 Å²	52.8	26%	0.261	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	0.3	173.3	-54.5	0	0	0	0	113.4	P87 V88 L100 K145 C146 L147 M151	P87-V149 HydrophobicContact CB-CB 4.31Å; P87-V149 HydrophobicContact CB-CG1 4.13Å; P87-V149 HydrophobicContact CG-CB 4.31Å; P87-V149 HydrophobicContact CG-CG2 4.29Å; V88-V149 HydrophobicContact CG2-CG2 3.56Å; L100-V149 HydrophobicContact CD1-CB 4.37Å; L100-V149 HydrophobicContact CD1-CG2 3.95Å; L100-V149 WeakPolarHBondContact CD1-O 3.49Å; K145-V149 HydrophobicContact CG-CG1 4.34Å; K145-V149 WeakPolarHBondContact O-CG1 3.13Å; K145-V149 WeakPolarHBondContact O-CG2 3.44Å; K145-V149 PolarHBondContact O-N 3.29Å; K145-V149 VanDerWaalsContact O-N 3.07Å; C146-V149 WeakPolarHBondContact O-CG2 3.24Å; L147-V149 VanDerWaalsContact C-N 3.34Å; L147-V149 PolarHBondContact O-N 3.47Å; V149-M151 HydrophobicContact CG2-CG 4.43Å
150	G	91.3	Very high	91.2	Very high	36 Å²	36	60.2 Å²	60.2	37%	0.371	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	21.5	171.8	0	0	0	0	0	116.1	L100 C146 L147 S148 K152	L100-G150 VanDerWaalsContact CD2-O 3.29Å; L100-G150 WeakPolarHBondContact CD2-O 3.16Å; C146-G150 PolarHBondContact O-N 3.49Å; L147-G150 WeakPolarHBondContact O-CA 3.19Å; L147-G150 PolarHBondContact O-N 3.36Å; S148-G150 PolarHBondContact O-N 2.9Å; G150-K152 PolarHBondContact O-N 3.06Å
151	M	95.9	Very high	89.9	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.025	34%	0.341	C	S	.	.			trans	-69.4	124.8	170.4	-63.5	-170	78.1	0	0	110.2	V88 Y98 L100 T102 F110 C146 V149	V88-M151 HydrophobicContact CG2-SD 4.49Å; Y98-M151 HydrophobicContact CD2-CE 3.56Å; Y98-M151 HydrophobicContact CG-CE 4.22Å; Y98-M151 CarbonylContact O-C 3.57Å; Y98-M151 WeakPolarHBondContact O-CA 3.37Å; L100-M151 HydrophobicContact CD2-CB 4.26Å; L100-M151 HydrophobicContact CD2-CG 3.64Å; T102-M151 HydrophobicContact CG2-SD 4.29Å; F110-M151 HydrophobicContact CB-CE 3.59Å; F110-M151 HydrophobicContact CB-SD 4.04Å; F110-M151 HydrophobicContact CD1-CB 4.36Å; F110-M151 HydrophobicContact CD1-CE 3.89Å; F110-M151 HydrophobicContact CD2-CB 3.85Å; F110-M151 HydrophobicContact CD2-CE 4.22Å; F110-M151 HydrophobicContact CD2-SD 3.96Å; F110-M151 HydrophobicContact CE1-CB 4.06Å; F110-M151 HydrophobicContact CE2-CB 3.51Å; F110-M151 HydrophobicContact CG-CB 4.25Å; F110-M151 HydrophobicContact CG-CE 3.64Å; F110-M151 HydrophobicContact CG-SD 3.98Å; F110-M151 HydrophobicContact CZ-CB 3.62Å; F110-M151 WeakPolarHBondContact CZ-O 3.38Å; C146-M151 HydrophobicContact CB-CB 4.27Å; C146-M151 HydrophobicContact CB-CG 4.18Å; C146-M151 HydrophobicContact CB-SD 3.64Å; C146-M151 WeakPolarHBondContact O-CB 3.35Å; C146-M151 WeakPolarHBondContact O-CG 3.25Å; C146-M151 PolarHBondContact O-N 3.03Å; V149-M151 HydrophobicContact CG2-CG 4.43Å
152	K	90.4	Very high	88.8	Confident	63 Å²	63	76.4 Å²	76.4	27%	0.274	38%	0.384	S	S	.	.			trans	-89.8	118.6	-170.7	-70.5	-177.1	170.8	-139.7	0	112.2	Y98 F110 G150 E154 A155 F168	Y98-K152 PolarHBondContact O-N 2.88Å; F110-K152 WeakPolarHBondContact CE1-O 3.48Å; G150-K152 PolarHBondContact O-N 3.06Å; K152-E154 VanDerWaalsContact C-N 3.28Å; K152-E154 WeakPolarHBondContact CB-OE1 3.47Å; K152-E154 WeakPolarHBondContact CD-OE1 3.47Å; K152-E154 WeakPolarHBondContact CG-OE1 3.3Å; K152-E154 IonicContact NZ-OE1 3.12Å; K152-E154 PolarHBondContact O-N 3.19Å; K152-A155 HydrophobicContact CB-CB 3.93Å; K152-A155 WeakPolarHBondContact O-CB 3.32Å; K152-A155 PolarHBondContact O-N 3.32Å; K152-A155 VanDerWaalsContact O-N 3.15Å; K152-F168 HydrophobicContact CD-CD1 4.41Å; K152-F168 HydrophobicContact CD-CE1 3.8Å; K152-F168 HydrophobicContact CD-CZ 4.01Å
153	L	91.9	Very high	87.3	Confident	82 Å²	82	78.7 Å²	78.7	43%	0.429	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-58.3	-44.2	177.3	-68	174.4	0	0	0	110.9	F110 V114 F143 L147 A155 V156	F110-L153 HydrophobicContact CE2-CD2 4.36Å; F110-L153 HydrophobicContact CZ-CD2 3.91Å; F110-L153 HydrophobicContact CZ-CG 4.45Å; V114-L153 HydrophobicContact CG1-CD2 4.32Å; V114-L153 HydrophobicContact CG2-CD2 3.4Å; F143-L153 HydrophobicContact CZ-CD2 3.96Å; L147-L153 HydrophobicContact CD2-CD1 4.37Å; L147-L153 HydrophobicContact CD2-CD2 3.88Å; L147-L153 HydrophobicContact CD2-CG 3.91Å; L153-A155 PolarHBondContact O-N 3.3Å; L153-A155 VanDerWaalsContact O-N 3.13Å; L153-V156 WeakPolarHBondContact O-CB 3.36Å; L153-V156 PolarHBondContact O-N 3.08Å
154	E	88.4	Confident	85.8	Confident	99 Å²	99	80.1 Å²	80.1	46%	0.463	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-68.9	-9.9	-178.3	74.8	-79.4	-176.1	0	0	113.6	K152 V156 K167 F168	K152-E154 VanDerWaalsContact C-N 3.28Å; K152-E154 WeakPolarHBondContact CB-OE1 3.47Å; K152-E154 WeakPolarHBondContact CD-OE1 3.47Å; K152-E154 WeakPolarHBondContact CG-OE1 3.3Å; K152-E154 IonicContact NZ-OE1 3.12Å; K152-E154 PolarHBondContact O-N 3.19Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-K167 WeakPolarHBondContact O-CE 3.38Å; E154-K167 PolarHBondContact O-NZ 2.92Å; E154-F168 HydrophobicContact CG-CE2 4.44Å; E154-F168 HydrophobicContact CG-CZ 3.84Å
155	A	89.1	Confident	84.4	Confident	21 Å²	21	87.8 Å²	87.8	17%	0.174	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-81.6	-12.8	170.9	0	0	0	0	0	113.1	Y98 K152 L153 F168	Y98-A155 HydrophobicContact CD1-CB 3.92Å; K152-A155 HydrophobicContact CB-CB 3.93Å; K152-A155 WeakPolarHBondContact O-CB 3.32Å; K152-A155 PolarHBondContact O-N 3.32Å; K152-A155 VanDerWaalsContact O-N 3.15Å; L153-A155 PolarHBondContact O-N 3.3Å; L153-A155 VanDerWaalsContact O-N 3.13Å; A155-F168 HydrophobicContact CB-CD2 3.8Å; A155-F168 HydrophobicContact CB-CE2 3.45Å; A155-F168 VanDerWaalsContact CB-CE2 3.45Å; A155-F168 HydrophobicContact CB-CZ 4.33Å
156	V	90	Very high	83	Confident	16 Å²	16	89 Å²	89	10%	0.097	47%	0.47	C	S	.	.	S	Bend	trans	-86.5	122.1	171.9	-174.5	0	0	0	0	108.4	Y98 F110 V114 Q115 L153 E154	Y98-V156 HydrophobicContact CD1-CG2 3.66Å; Y98-V156 HydrophobicContact CE1-CB 4.38Å; Y98-V156 HydrophobicContact CE1-CG2 3.68Å; Y98-V156 HydrophobicContact CG-CG2 4.32Å; F110-V156 HydrophobicContact CD1-CG2 3.81Å; F110-V156 HydrophobicContact CE1-CG2 3.68Å; V114-V156 HydrophobicContact CB-CB 4.13Å; V114-V156 HydrophobicContact CB-CG1 4.05Å; V114-V156 HydrophobicContact CB-CG2 3.95Å; V114-V156 HydrophobicContact CG1-CB 3.72Å; V114-V156 HydrophobicContact CG1-CG1 3.9Å; V114-V156 HydrophobicContact CG1-CG2 3.98Å; V114-V156 HydrophobicContact CG2-CG2 4.14Å; Q115-V156 HydrophobicContact CG-CG1 3.41Å; Q115-V156 VanDerWaalsContact CG-CG1 3.41Å; L153-V156 WeakPolarHBondContact O-CB 3.36Å; L153-V156 PolarHBondContact O-N 3.08Å; E154-V156 VanDerWaalsContact C-N 3.32Å
157	R	84.5	Confident	81.9	Confident	110 Å²	110	96 Å²	96	42%	0.415	50%	0.5	S	S	.	.			trans	-74.6	136.4	175.7	-64.8	-179.4	179.9	161.4	-1.3	110.2	Q115 D159 G163 G164 R165	Q115-R157 PolarHBondContact NE2-O 3.4Å; R157-D159 VanDerWaalsContact C-N 3.29Å; R157-G163 PolarHBondContact NH1-O 2.62Å; R157-G164 VanDerWaalsContact NH2-C 3.27Å; R157-G164 PolarHBondContact NH2-O 3.02Å; R157-R165 PolarHBondContact NH2-O 3.28Å
158	A	76.9	Confident	81.1	Confident	105 Å²	105	94.7 Å²	94.7	87%	0.868	49%	0.492	S	S	*	.	S	Bend	trans	-65	-36.1	173.1	0	0	0	0	0	111.4
159	D	73.3	Confident	80.4	Confident	87 Å²	87	90.5 Å²	90.5	47%	0.465	46%	0.464	S	S	.	.	S	Bend	trans	-81.7	140.8	177.5	-160.4	-23	0	0	0	112.2	R157 M161	R157-D159 VanDerWaalsContact C-N 3.29Å; D159-M161 VanDerWaalsContact C-N 3.25Å; D159-M161 PolarHBondContact O-N 3Å; D159-M161 WeakPolarHBondContact OD1-CG 3.43Å; D159-M161 PolarHBondContact OD1-N 3.12Å; D159-M161 VanDerWaalsContact OD1-N 3.08Å; D159-M161 WeakPolarHBondContact OD2-CE 3.41Å; D159-M161 WeakPolarHBondContact OD2-CG 3.48Å
160	R	73.7	Confident	79.8	Confident	197 Å²	197	92.6 Å²	92.6	74%	0.743	48%	0.479	S	S	*	.			trans	-81.7	2.4	176.3	-64.2	-176.9	178.6	-178	0.5	113
161	M	72.3	Confident	79.4	Confident	142 Å²	142	94.5 Å²	94.5	70%	0.7	48%	0.479	S	S	*	.			trans	-55.6	138.4	174.7	-70.8	-164.2	-143.8	0	0	113.3	D159	D159-M161 VanDerWaalsContact C-N 3.25Å; D159-M161 PolarHBondContact O-N 3Å; D159-M161 WeakPolarHBondContact OD1-CG 3.43Å; D159-M161 PolarHBondContact OD1-N 3.12Å; D159-M161 VanDerWaalsContact OD1-N 3.08Å; D159-M161 WeakPolarHBondContact OD2-CE 3.41Å; D159-M161 WeakPolarHBondContact OD2-CG 3.48Å
162	R	73.9	Confident	78.7	Confident	256 Å²	256	95.7 Å²	95.7	97%	0.966	48%	0.484	S	S	*	.			trans	-92.5	121.6	-178.2	-166.2	175.8	-176	177.9	-0.3	109.9
163	G	67.9	Low	78.2	Confident	57 Å²	57	100.6 Å²	100.6	59%	0.588	51%	0.505	S	S	*	.			trans	101.7	165.2	174.4	0	0	0	0	0	115.3	R157	R157-G163 PolarHBondContact NH1-O 2.62Å
164	G	66.8	Low	77.5	Confident	64 Å²	64	104.9 Å²	104.9	66%	0.66	52%	0.515	S	S	*	.			trans	122.4	148	-179.2	0	0	0	0	0	113.7	R157	R157-G164 VanDerWaalsContact NH2-C 3.27Å; R157-G164 PolarHBondContact NH2-O 3.02Å
165	R	66.9	Low	76.8	Confident	245 Å²	245	102.9 Å²	102.9	93%	0.925	51%	0.508	S	S	*	.			trans	-58.5	139.4	-179.8	-79.7	-178.3	-174.6	158.4	2.5	111.5	R157	R157-R165 PolarHBondContact NH2-O 3.28Å
166	N	69.1	Low	76.3	Confident	90 Å²	90	108.7 Å²	108.7	48%	0.481	53%	0.525	S	S	.	.			trans	-80.5	123.4	176.2	52.6	0.8	0	0	0	109.7	F168 G169	N166-F168 PolarHBondContact O-N 2.74Å; N166-F168 VanDerWaalsContact O-N 3.09Å; N166-G169 PolarHBondContact O-N 2.83Å; N166-G169 WeakPolarHBondContact OD1-CA 3.27Å; N166-G169 PolarHBondContact OD1-N 3.18Å
167	K	75.1	Confident	75.6	Confident	145 Å²	145	110.4 Å²	110.4	63%	0.63	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.2	174.2	66.7	-178	-179.4	-177.7	0	113.1	E154	E154-K167 WeakPolarHBondContact O-CE 3.38Å; E154-K167 PolarHBondContact O-NZ 2.92Å
168	F	79.8	Confident	75.1	Confident	28 Å²	28	109.7 Å²	109.7	12%	0.123	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.1	176.8	-62.2	-73.1	0	0	0	114.6	K152 E154 A155 N166 M171 Y172	K152-F168 HydrophobicContact CD-CD1 4.41Å; K152-F168 HydrophobicContact CD-CE1 3.8Å; K152-F168 HydrophobicContact CD-CZ 4.01Å; E154-F168 HydrophobicContact CG-CE2 4.44Å; E154-F168 HydrophobicContact CG-CZ 3.84Å; A155-F168 HydrophobicContact CB-CD2 3.8Å; A155-F168 HydrophobicContact CB-CE2 3.45Å; A155-F168 VanDerWaalsContact CB-CE2 3.45Å; A155-F168 HydrophobicContact CB-CZ 4.33Å; N166-F168 PolarHBondContact O-N 2.74Å; N166-F168 VanDerWaalsContact O-N 3.09Å; F168-M171 HydrophobicContact CD1-SD 4.09Å; F168-M171 WeakPolarHBondContact O-CB 3.27Å; F168-M171 PolarHBondContact O-N 3.08Å; F168-M171 VanDerWaalsContact O-N 3.13Å; F168-Y172 HydrophobicContact CB-CD2 4.36Å; F168-Y172 HydrophobicContact CB-CE1 4.13Å; F168-Y172 HydrophobicContact CB-CE2 3.67Å; F168-Y172 VanDerWaalsContact O-CD2 3.27Å; F168-Y172 WeakPolarHBondContact O-CD2 3.47Å; F168-Y172 PolarHBondContact O-N 3.42Å; F168-Y172 VanDerWaalsContact O-N 3.1Å
169	G	78.6	Confident	75	Confident	9 Å²	9	107.7 Å²	107.7	9%	0.093	52%	0.516	C	S	.	.	H	α-helix	trans	-52.6	-48.4	179.6	0	0	0	0	0	114.2	N166 M171 Y172 K173	N166-G169 PolarHBondContact O-N 2.83Å; N166-G169 WeakPolarHBondContact OD1-CA 3.27Å; N166-G169 PolarHBondContact OD1-N 3.18Å; G169-M171 VanDerWaalsContact C-N 3.33Å; G169-M171 PolarHBondContact O-N 3.1Å; G169-Y172 PolarHBondContact O-N 2.83Å; G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å; G169-K173 VanDerWaalsContact O-N 3.1Å
170	P	80.9	Confident	75.3	Confident	87 Å²	87	109.1 Å²	109.1	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-60.2	-38.4	176.3	-26.1	36	0	0	0	113.6	K173 R174	P170-K173 PolarHBondContact O-N 2.89Å; P170-R174 PolarHBondContact O-N 2.9Å
171	M	81.3	Confident	75.5	Confident	76 Å²	76	106.1 Å²	106.1	37%	0.374	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-46.8	176.6	174.5	-177.2	-96.8	0	0	111.2	F168 G169 K173 R174 D175	F168-M171 HydrophobicContact CD1-SD 4.09Å; F168-M171 WeakPolarHBondContact O-CB 3.27Å; F168-M171 PolarHBondContact O-N 3.08Å; F168-M171 VanDerWaalsContact O-N 3.13Å; G169-M171 VanDerWaalsContact C-N 3.33Å; G169-M171 PolarHBondContact O-N 3.1Å; M171-K173 VanDerWaalsContact C-N 3.3Å; M171-K173 PolarHBondContact O-N 3.47Å; M171-R174 PolarHBondContact O-N 3.3Å; M171-D175 PolarHBondContact O-N 3.11Å
172	Y	82.9	Confident	75.5	Confident	31 Å²	31	106.3 Å²	106.3	12%	0.122	51%	0.512	C	S	.	.	H	α-helix	trans	-64.5	-34.4	178.4	-55.3	-37.9	0	0	0	112.8	Y96 G99 F168 G169 R176	Y96-Y172 AromaticContact CD1-CD1 3.41Å; Y96-Y172 HydrophobicContact CD1-CD1 3.41Å; Y96-Y172 VanDerWaalsContact CD1-CD1 3.41Å; Y96-Y172 AromaticContact CD1-CE1 3.87Å; Y96-Y172 HydrophobicContact CD1-CE1 3.87Å; Y96-Y172 HydrophobicContact CD1-CG 4.15Å; Y96-Y172 HydrophobicContact CE1-CD1 4.09Å; Y96-Y172 AromaticContact CG-CD1 3.84Å; Y96-Y172 HydrophobicContact CG-CD1 3.84Å; Y96-Y172 HydrophobicContact CG-CE1 4.33Å; Y96-Y172 HydrophobicContact CG-CG 4.16Å; G99-Y172 PolarHBondContact N-OH 3.28Å; G99-Y172 VanDerWaalsContact N-OH 3.13Å; F168-Y172 HydrophobicContact CB-CD2 4.36Å; F168-Y172 HydrophobicContact CB-CE1 4.13Å; F168-Y172 HydrophobicContact CB-CE2 3.67Å; F168-Y172 VanDerWaalsContact O-CD2 3.27Å; F168-Y172 WeakPolarHBondContact O-CD2 3.47Å; F168-Y172 PolarHBondContact O-N 3.42Å; F168-Y172 VanDerWaalsContact O-N 3.1Å; G169-Y172 PolarHBondContact O-N 2.83Å; Y172-R176 VanDerWaalsContact O-CB 3.25Å; Y172-R176 WeakPolarHBondContact O-CB 3.4Å; Y172-R176 PolarHBondContact O-N 2.74Å
173	K	78.1	Confident	75.6	Confident	165 Å²	165	99.1 Å²	99.1	72%	0.717	49%	0.488	S	S	*	.	H	α-helix	trans	-65.5	-44.8	174.7	-72.8	-178.3	-180	-174.6	0	111.3	G169 P170 M171 R176 A177	G169-K173 WeakPolarHBondContact O-CG 3.28Å; G169-K173 PolarHBondContact O-N 3.4Å; G169-K173 VanDerWaalsContact O-N 3.1Å; P170-K173 PolarHBondContact O-N 2.89Å; M171-K173 VanDerWaalsContact C-N 3.3Å; M171-K173 PolarHBondContact O-N 3.47Å; K173-R176 PolarHBondContact O-N 2.78Å; K173-A177 WeakPolarHBondContact O-CB 3.34Å; K173-A177 PolarHBondContact O-N 3.16Å
174	R	78.1	Confident	75.8	Confident	172 Å²	172	98.7 Å²	98.7	65%	0.649	48%	0.478	S	S	*	.	H	α-helix	trans	-63.3	-48.7	178	-173.4	-176.9	-67	129.1	-3.6	111.9	P170 M171 R176 A177 L178	P170-R174 PolarHBondContact O-N 2.9Å; M171-R174 PolarHBondContact O-N 3.3Å; R174-R176 VanDerWaalsContact C-N 3.33Å; R174-R176 PolarHBondContact O-N 3.22Å; R174-A177 PolarHBondContact O-N 2.79Å; R174-A177 VanDerWaalsContact O-N 3.17Å; R174-L178 HydrophobicContact CG-CD1 4.25Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 2.83Å
175	D	73.9	Confident	76	Confident	57 Å²	57	100.6 Å²	100.6	31%	0.305	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-40.2	179.5	-171.5	60	0	0	0	111.8	Y96 M171 A177 L178 K179	Y96-D175 HydrophobicContact CE1-CB 4.43Å; Y96-D175 WeakPolarHBondContact CE1-OD2 3.46Å; Y96-D175 VanDerWaalsContact CZ-OD2 3.31Å; Y96-D175 PolarHBondContact OH-OD2 3.1Å; M171-D175 PolarHBondContact O-N 3.11Å; D175-A177 PolarHBondContact O-N 3.05Å; D175-L178 PolarHBondContact O-N 2.73Å; D175-K179 WeakPolarHBondContact O-CG 3.47Å; D175-K179 PolarHBondContact O-N 3.01Å; D175-K179 IonicContact OD2-NZ 2.7Å
176	R	78.8	Confident	76.3	Confident	144 Å²	144	92.4 Å²	92.4	54%	0.543	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-43.7	173.2	-173.7	-174.3	-64.6	-164.6	-2.7	112	Y172 K173 R174 K179 Q180	Y172-R176 VanDerWaalsContact O-CB 3.25Å; Y172-R176 WeakPolarHBondContact O-CB 3.4Å; Y172-R176 PolarHBondContact O-N 2.74Å; K173-R176 PolarHBondContact O-N 2.78Å; R174-R176 VanDerWaalsContact C-N 3.33Å; R174-R176 PolarHBondContact O-N 3.22Å; R176-K179 PolarHBondContact O-N 2.97Å; R176-Q180 WeakPolarHBondContact O-CB 3.23Å; R176-Q180 VanDerWaalsContact O-CG 3.28Å; R176-Q180 WeakPolarHBondContact O-CG 3.33Å; R176-Q180 PolarHBondContact O-N 3.31Å
177	A	75.5	Confident	76.5	Confident	52 Å²	52	95.5 Å²	95.5	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-63.3	-44.4	178.5	0	0	0	0	0	111.5	K173 R174 D175 K179 Q180 Q181	K173-A177 WeakPolarHBondContact O-CB 3.34Å; K173-A177 PolarHBondContact O-N 3.16Å; R174-A177 PolarHBondContact O-N 2.79Å; R174-A177 VanDerWaalsContact O-N 3.17Å; D175-A177 PolarHBondContact O-N 3.05Å; A177-K179 PolarHBondContact O-N 3.4Å; A177-Q180 PolarHBondContact O-N 2.86Å; A177-Q181 WeakPolarHBondContact O-CB 3.24Å; A177-Q181 PolarHBondContact O-N 3.28Å
178	L	73.9	Confident	76.1	Confident	95 Å²	95	91.1 Å²	91.1	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.1	-72.7	169.5	0	0	0	112.1	R174 D175 Q180 Q181 K182	R174-L178 HydrophobicContact CG-CD1 4.25Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 2.83Å; D175-L178 PolarHBondContact O-N 2.73Å; L178-Q180 PolarHBondContact O-N 3.38Å; L178-Q181 PolarHBondContact O-N 2.86Å; L178-K182 PolarHBondContact O-N 3.35Å
179	K	75.3	Confident	75.2	Confident	62 Å²	62	94.1 Å²	94.1	27%	0.27	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-38.7	175.9	-74.2	-178.3	174.9	-170.8	0	112.4	E84 D175 R176 A177 K182 K183	E84-K179 IonicContact OE1-NZ 3.72Å; E84-K179 PolarHBondContact OE1-NZ 3.42Å; E84-K179 IonicContact OE2-NZ 2.98Å; E84-K179 PolarHBondContact OE2-NZ 3.41Å; D175-K179 WeakPolarHBondContact O-CG 3.47Å; D175-K179 PolarHBondContact O-N 3.01Å; D175-K179 IonicContact OD2-NZ 2.7Å; R176-K179 PolarHBondContact O-N 2.97Å; A177-K179 PolarHBondContact O-N 3.4Å; K179-K182 PolarHBondContact O-N 3.48Å; K179-K183 WeakPolarHBondContact O-CG 3.43Å; K179-K183 PolarHBondContact O-N 3.15Å
180	Q	78.4	Confident	74.2	Confident	118 Å²	118	94.4 Å²	94.4	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-65.6	-40.9	174.7	-76.8	175.9	-9.3	0	0	111.7	R176 A177 L178 K183 A184	R176-Q180 WeakPolarHBondContact O-CB 3.23Å; R176-Q180 VanDerWaalsContact O-CG 3.28Å; R176-Q180 WeakPolarHBondContact O-CG 3.33Å; R176-Q180 PolarHBondContact O-N 3.31Å; A177-Q180 PolarHBondContact O-N 2.86Å; L178-Q180 PolarHBondContact O-N 3.38Å; Q180-K183 PolarHBondContact O-N 3.02Å; Q180-A184 WeakPolarHBondContact O-CB 2.96Å; Q180-A184 PolarHBondContact O-N 2.89Å
181	Q	78.1	Confident	73.1	Confident	134 Å²	134	95.6 Å²	95.6	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-62.7	-44	175.2	-170.6	179.9	9.4	0	0	111.4	A177 L178 K183 A184 L185	A177-Q181 WeakPolarHBondContact O-CB 3.24Å; A177-Q181 PolarHBondContact O-N 3.28Å; L178-Q181 PolarHBondContact O-N 2.86Å; Q181-K183 PolarHBondContact O-N 3.42Å; Q181-A184 PolarHBondContact O-N 2.78Å; Q181-L185 WeakPolarHBondContact O-CB 3.45Å; Q181-L185 PolarHBondContact O-N 3.13Å
182	K	72.9	Confident	71.7	Confident	145 Å²	145	98.5 Å²	98.5	63%	0.63	47%	0.474	S	S	*	.	H	α-helix	trans	-60.8	-43.7	174.9	-172.3	174.2	-179.1	175.5	0	112	L178 K179 L185 I186	L178-K182 PolarHBondContact O-N 3.35Å; K179-K182 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.93Å; K182-I186 HydrophobicContact CG-CD1 4.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.45Å; K182-I186 PolarHBondContact O-N 3.41Å; K182-I186 VanDerWaalsContact O-N 3.07Å
183	K	74.9	Confident	70.1	Confident	106 Å²	106	102.7 Å²	102.7	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-39	175.1	-73.3	-175.6	178	-164.9	0	112.2	K179 Q180 Q181 R187	K179-K183 WeakPolarHBondContact O-CG 3.43Å; K179-K183 PolarHBondContact O-N 3.15Å; Q180-K183 PolarHBondContact O-N 3.02Å; Q181-K183 PolarHBondContact O-N 3.42Å; K183-R187 WeakPolarHBondContact O-CG 3.41Å; K183-R187 PolarHBondContact O-N 3.5Å; K183-R187 VanDerWaalsContact O-N 3.12Å
184	A	71.5	Confident	68.9	Low	47 Å²	47	100.7 Å²	100.7	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-40.5	176.1	0	0	0	0	0	112	Q180 Q181 R187 A188	Q180-A184 WeakPolarHBondContact O-CB 2.96Å; Q180-A184 PolarHBondContact O-N 2.89Å; Q181-A184 PolarHBondContact O-N 2.78Å; A184-R187 PolarHBondContact O-N 3.49Å; A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 2.89Å
185	L	72.2	Confident	67.7	Low	104 Å²	104	95 Å²	95	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-42.8	176.5	-176.1	63.7	0	0	0	112.2	Q181 K182 R187 A188 N189	Q181-L185 WeakPolarHBondContact O-CB 3.45Å; Q181-L185 PolarHBondContact O-N 3.13Å; K182-L185 PolarHBondContact O-N 2.93Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 3.43Å; L185-A188 PolarHBondContact O-N 3.34Å; L185-N189 PolarHBondContact O-N 2.64Å
186	I	72.4	Confident	66.5	Low	74 Å²	74	97.4 Å²	97.4	38%	0.379	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.6	-67.2	165.4	0	0	0	110.3	Y78 K182 A188 N189 G190	Y78-I186 HydrophobicContact CE1-CG2 4.16Å; Y78-I186 PolarHBondContact OH-O 3.44Å; K182-I186 HydrophobicContact CG-CD1 4.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.45Å; K182-I186 PolarHBondContact O-N 3.41Å; K182-I186 VanDerWaalsContact O-N 3.07Å; I186-A188 PolarHBondContact O-N 3.17Å; I186-N189 PolarHBondContact O-N 2.93Å; I186-G190 PolarHBondContact O-N 3.37Å
187	R	74.3	Confident	65	Low	155 Å²	155	93.8 Å²	93.8	59%	0.585	49%	0.488	S	S	*	.	H	α-helix	trans	-63.2	-40.4	175.8	-72.6	-171.9	-65.4	-126.8	2.8	113.3	K183 A184 L185 N189 G190 L191	K183-R187 WeakPolarHBondContact O-CG 3.41Å; K183-R187 PolarHBondContact O-N 3.5Å; K183-R187 VanDerWaalsContact O-N 3.12Å; A184-R187 PolarHBondContact O-N 3.49Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 3.43Å; R187-N189 VanDerWaalsContact C-N 3.32Å; R187-N189 PolarHBondContact O-N 3.39Å; R187-G190 PolarHBondContact O-N 3.28Å; R187-L191 PolarHBondContact O-N 3.16Å; R187-L191 VanDerWaalsContact O-N 3.1Å
188	A	66.2	Low	63.8	Low	52 Å²	52	98.2 Å²	98.2	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-36.8	177.4	0	0	0	0	0	112.1	A184 L185 I186 K192	A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 2.89Å; L185-A188 PolarHBondContact O-N 3.34Å; I186-A188 PolarHBondContact O-N 3.17Å; A188-K192 PolarHBondContact O-N 2.92Å; A188-K192 VanDerWaalsContact O-N 3.1Å
189	N	61.7	Low	62.8	Low	92 Å²	92	98.3 Å²	98.3	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-72.2	-31.9	175.8	-72	-18.2	0	0	0	112.7	L185 I186 R187 L193	L185-N189 PolarHBondContact O-N 2.64Å; I186-N189 PolarHBondContact O-N 2.93Å; R187-N189 VanDerWaalsContact C-N 3.32Å; R187-N189 PolarHBondContact O-N 3.39Å; N189-L193 PolarHBondContact O-N 3.12Å
190	G	57.1	Low	61.6	Low	14 Å²	14	102 Å²	102	14%	0.144	53%	0.526	C	S	.	.	H	α-helix	trans	-63	-48.4	171	0	0	0	0	0	112.6	I186 R187 K192 L193 E194	I186-G190 PolarHBondContact O-N 3.37Å; R187-G190 PolarHBondContact O-N 3.28Å; G190-K192 VanDerWaalsContact C-N 3.29Å; G190-K192 PolarHBondContact O-N 3.36Å; G190-L193 PolarHBondContact O-N 2.92Å; G190-E194 PolarHBondContact O-N 2.95Å
191	L	57.2	Low	60	Low	113 Å²	113	104.8 Å²	104.8	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-34.7	177	-73	166	0	0	0	112.7	R187 L193 E194 A195	R187-L191 PolarHBondContact O-N 3.16Å; R187-L191 VanDerWaalsContact O-N 3.1Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-E194 PolarHBondContact O-N 3.07Å; L191-A195 PolarHBondContact O-N 3.24Å
192	K	51.7	Low	58.4	Low	136 Å²	136	101.7 Å²	101.7	59%	0.591	54%	0.536	S	S	*	.	H	α-helix	trans	-63.3	-42.9	176.4	-162.9	174.4	-177.7	-180	0	110.5	A188 G190 A195 M196	A188-K192 PolarHBondContact O-N 2.92Å; A188-K192 VanDerWaalsContact O-N 3.1Å; G190-K192 VanDerWaalsContact C-N 3.29Å; G190-K192 PolarHBondContact O-N 3.36Å; K192-A195 PolarHBondContact O-N 3.33Å; K192-M196 HydrophobicContact CG-SD 4.39Å; K192-M196 WeakPolarHBondContact O-CG 3.43Å; K192-M196 PolarHBondContact O-N 2.74Å
193	L	50.5	Low	56.5	Low	120 Å²	120	102 Å²	102	63%	0.628	54%	0.542	S	S	*	.	H	α-helix	trans	-66	-36.2	179.7	-159.8	71.4	0	0	0	112.9	N189 G190 L191 S197	N189-L193 PolarHBondContact O-N 3.12Å; G190-L193 PolarHBondContact O-N 2.92Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L193-S197 PolarHBondContact O-N 3.35Å; L193-S197 PolarHBondContact O-OG 2.95Å
194	E	51.6	Low	54.6	Low	123 Å²	123	102.9 Å²	102.9	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-66.4	-41	172.2	-73	176.8	157.8	0	0	111.8	G190 L191 S197 Q198	G190-E194 PolarHBondContact O-N 2.95Å; L191-E194 PolarHBondContact O-N 3.07Å; E194-S197 PolarHBondContact O-N 3.07Å; E194-Q198 PolarHBondContact O-N 2.95Å
195	A	53.7	Low	52.9	Low	53 Å²	53	105.8 Å²	105.8	44%	0.438	58%	0.576	S	S	.	*	H	α-helix	trans	-67.5	-35.2	176.6	0	0	0	0	0	113.1	L191 K192 S197 Q198 V199	L191-A195 PolarHBondContact O-N 3.24Å; K192-A195 PolarHBondContact O-N 3.33Å; A195-S197 VanDerWaalsContact C-N 3.33Å; A195-Q198 PolarHBondContact O-N 2.86Å; A195-V199 WeakPolarHBondContact O-CG2 3.37Å; A195-V199 PolarHBondContact O-N 3.21Å
196	M	48.9	Very low	51	Low	106 Å²	106	108.2 Å²	108.2	52%	0.522	59%	0.589	S	S	.	*	H	α-helix	trans	-70.6	-31.5	175.8	-25	-169.3	69.4	0	0	111.6	K192 Q198 V199 I200	K192-M196 HydrophobicContact CG-SD 4.39Å; K192-M196 WeakPolarHBondContact O-CG 3.43Å; K192-M196 PolarHBondContact O-N 2.74Å; M196-Q198 VanDerWaalsContact C-N 3.34Å; M196-V199 PolarHBondContact O-N 3.09Å; M196-I200 WeakPolarHBondContact O-CG1 3.23Å; M196-I200 PolarHBondContact O-N 3.01Å
197	S	46.9	Very low	49	Very low	69 Å²	69	112.6 Å²	112.6	48%	0.483	61%	0.612	S	S	.	*	H	α-helix	trans	-68.8	-31.6	177.4	-60.7	0	0	0	0	112.5	L193 E194 A195	L193-S197 PolarHBondContact O-N 3.35Å; L193-S197 PolarHBondContact O-OG 2.95Å; E194-S197 PolarHBondContact O-N 3.07Å; A195-S197 VanDerWaalsContact C-N 3.33Å
198	Q	49.9	Very low	47	Very low	144 Å²	144	111.9 Å²	111.9	67%	0.673	63%	0.626	S	S	*	*	H	α-helix	trans	-74.1	-28.2	175.5	-70.5	177.8	0.2	0	0	113.1	E194 A195 M196	E194-Q198 PolarHBondContact O-N 2.95Å; A195-Q198 PolarHBondContact O-N 2.86Å; M196-Q198 VanDerWaalsContact C-N 3.34Å
199	V	53.7	Low	45.1	Very low	97 Å²	97	116.7 Å²	116.7	59%	0.588	64%	0.642	S	S	*	*	H	α-helix	trans	-76.6	-29.4	178.1	175.9	0	0	0	0	112.1	A195 M196 Q201 A202	A195-V199 WeakPolarHBondContact O-CG2 3.37Å; A195-V199 PolarHBondContact O-N 3.21Å; M196-V199 PolarHBondContact O-N 3.09Å; V199-Q201 VanDerWaalsContact C-N 3.28Å; V199-Q201 PolarHBondContact O-N 3.26Å; V199-A202 PolarHBondContact O-N 2.93Å
200	I	50.4	Low	43.5	Very low	140 Å²	140	118.3 Å²	118.3	72%	0.718	66%	0.661	S	S	*	*	H	α-helix	trans	-71.6	-21.9	178.4	-68.4	170.4	0	0	0	112.3	M196 A202	M196-I200 WeakPolarHBondContact O-CG1 3.23Å; M196-I200 PolarHBondContact O-N 3.01Å; I200-A202 VanDerWaalsContact C-N 3.34Å; I200-A202 PolarHBondContact O-N 3.34Å
201	Q	45.2	Very low	42.1	Very low	176 Å²	176	122.6 Å²	122.6	82%	0.822	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-3.5	178.6	-73.9	-177.6	-23.5	0	0	114.5	V199	V199-Q201 VanDerWaalsContact C-N 3.28Å; V199-Q201 PolarHBondContact O-N 3.26Å
202	A	42.6	Very low	40.6	Very low	70 Å²	70	122.1 Å²	122.1	58%	0.579	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	14.3	-170	0	0	0	0	0	116	V199 I200	V199-A202 PolarHBondContact O-N 2.93Å; I200-A202 VanDerWaalsContact C-N 3.34Å; I200-A202 PolarHBondContact O-N 3.34Å
203	M	34.1	Very low	39.6	Very low	152 Å²	152	123.4 Å²	123.4	75%	0.749	71%	0.713	S	S	*	*			trans	-113.3	123.5	178.9	-69.4	-71.1	146.7	0	0	111.6
204	P	34.6	Very low	38.4	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	72%	0.721	S	S	*	*			trans	-72.1	132.7	168.3	-6.4	22.9	0	0	0	109.8	D206	P204-D206 PolarHBondContact O-N 2.96Å
205	S	36.2	Very low	37.2	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	73%	0.734	S	S	*	*			trans	-72.3	111.1	173.4	45.5	0	0	0	0	110.6
206	D	33.2	Very low	36.1	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	75%	0.753	S	S	*	*			trans	-170.3	130.8	140.1	-91.9	-30.8	0	0	0	111	P204	P204-D206 PolarHBondContact O-N 2.96Å
207	L	28.9	Very low	35.1	Very low	166 Å²	166	136.6 Å²	136.6	87%	0.869	77%	0.769	S	S	*	*			trans	146.7	104.9	140.6	-74.5	166.5	0	0	0	111.6
208	T	32.3	Very low	34.3	Very low	141 Å²	141	138.5 Å²	138.5	87%	0.865	78%	0.783	S	S	*	*			trans	-76.6	132.9	169.8	38.7	0	0	0	0	110.4
209	I	27.3	Very low	33.3	Very low	152 Å²	152	135.8 Å²	135.8	78%	0.779	78%	0.784	S	S	*	*			trans	-125.4	101	171	-59.4	177.9	0	0	0	109.1
210	S	28.1	Very low	32.3	Very low	126 Å²	126	136.1 Å²	136.1	88%	0.881	79%	0.791	S	S	*	*			trans	-110.5	98.2	157.9	-92.9	0	0	0	0	107.7
211	S	27.4	Very low	31.4	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	80%	0.8	S	S	*	*			trans	173.7	98	159.1	50	0	0	0	0	110.7
212	A	26.4	Very low	30.6	Very low	103 Å²	103	135 Å²	135	85%	0.851	80%	0.802	S	S	*	*			trans	176.1	67.4	146.9	0	0	0	0	0	110.5
213	I	29.3	Very low	29.9	Very low	162 Å²	162	139.8 Å²	139.8	83%	0.831	82%	0.817	S	S	*	*			trans	-116.7	111.1	153.3	-62	176.8	0	0	0	105
214	Q	26.4	Very low	30.5	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	81%	0.813	S	S	*	*			trans	160.4	114.4	144.2	-88.9	165.1	10.6	0	0	109.3
215	N	25.7	Very low	30.3	Very low	158 Å²	158	139.1 Å²	139.1	85%	0.845	81%	0.814	S	S	*	*			trans	146	85.7	142.7	-73.1	-23.6	0	0	0	111.6
216	I	30.1	Very low	30	Very low	162 Å²	162	140.8 Å²	140.8	83%	0.831	82%	0.815	S	S	*	*			trans	-132.6	98.7	155.3	-58.6	177.9	0	0	0	106.8
217	H	29	Very low	30	Very low	188 Å²	188	142.7 Å²	142.7	87%	0.87	82%	0.818	S	S	*	*			trans	-153.8	123.1	151	-89.3	-67.1	0	0	0	110.7
218	S	28.8	Very low	30.1	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	81%	0.813	S	S	*	*			trans	89.7	110.3	143.4	-54.7	0	0	0	0	121.3
219	A	29.8	Very low	30	Very low	86 Å²	86	136.5 Å²	136.5	71%	0.711	81%	0.806	S	S	*	*				78.8	102.4	122.6	0	0	0	0	0	121.2
220	S	32.7	Very low	30.2	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	81%	0.81	S	S	*	*				44	120.6	119.8	51.1	0	0	0	0	122
221	K	31.7	Very low	30.8	Very low	209 Å²	209	136.6 Å²	136.6	91%	0.909	80%	0.803	S	S	*	*				151.9	139.1	116	-85.8	-177.9	179.2	178.9	0	111.8
222	G	28.8	Very low	31.5	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	81%	0.805	S	S	*	*			trans	110.1	108.9	144.4	0	0	0	0	0	118.5
223	L	27.6	Very low	31.8	Very low	171 Å²	171	139.3 Å²	139.3	90%	0.895	81%	0.807	S	S	*	*			trans	-62.1	-173.4	167.6	-76.3	154.1	0	0	0	114.4
224	P	46.5	Very low	31.7	Very low	103 Å²	103	138.7 Å²	138.7	67%	0.669	81%	0.806	S	S	*	*			cis	-134.8	174	-30.9	28.3	-7.2	0	0	0	113.7
225	L	29.5	Very low	31.9	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	81%	0.808	S	S	*	*				-175.3	145	122.2	-123.4	85	0	0	0	113.5
226	N	29.9	Very low	32.1	Very low	143 Å²	143	140 Å²	140	77%	0.765	80%	0.803	S	S	*	*			trans	-64.9	155.5	178.2	-70.9	-33.3	0	0	0	114.6
227	H	34.2	Very low	32	Very low	193 Å²	193	144 Å²	144	89%	0.894	81%	0.808	S	S	*	*				-161.9	157.7	121.5	-95.5	-65	0	0	0	111.1
228	A	30.9	Very low	32.1	Very low	92 Å²	92	139 Å²	139	76%	0.76	79%	0.794	S	S	*	*			trans	-106.4	158.1	-149.4	0	0	0	0	0	115.8
229	A	30.1	Very low	32.7	Very low	86 Å²	86	138.6 Å²	138.6	71%	0.711	79%	0.789	S	S	*	*			trans	62.4	110.2	138.5	0	0	0	0	0	123.4
230	L	31.1	Very low	32.8	Very low	165 Å²	165	143.9 Å²	143.9	86%	0.864	80%	0.796	S	S	*	*				61.7	163	128.7	-61.5	173.7	0	0	0	121
231	P	41.8	Very low	32.6	Very low	115 Å²	115	144 Å²	144	75%	0.747	79%	0.792	S	S	*	*			cis	-128.6	-175.5	-6.8	21.7	4.5	0	0	0	114.5
232	P	40.4	Very low	32.5	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	79%	0.792	S	S	*	*			trans	-99	155	-173.1	37.8	-29.5	0	0	0	113.8
233	T	33.2	Very low	32.5	Very low	145 Å²	145	142 Å²	142	89%	0.89	79%	0.786	S	S	*	*			trans	-137.8	134	168.6	47.6	0	0	0	0	112.4
234	D	28.5	Very low	32.9	Very low	149 Å²	149	140 Å²	140	80%	0.797	78%	0.783	S	S	*	*			trans	-54.7	146.6	174.1	-64.2	-66.1	0	0	0	115.7
235	Y	30.1	Very low	32.2	Very low	216 Å²	216	142.2 Å²	142.2	85%	0.847	79%	0.788	S	S	*	*				166.2	113.3	110.8	-111.5	-88	0	0	0	112.5
236	D	29.7	Very low	32.2	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	79%	0.787	S	S	*	*				26.3	129	129.2	-125.9	-19.6	0	0	0	122.4
237	R	27.9	Very low	32.3	Very low	247 Å²	247	141.9 Å²	141.9	93%	0.932	79%	0.792	S	S	*	*				-169.6	116.4	129.4	-141.2	173.9	174.7	141.1	-2.2	114.5
238	S	30.4	Very low	32.2	Very low	83 Å²	83	139 Å²	139	58%	0.58	79%	0.788	S	S	*	*			trans	-81.7	159.7	158.6	-170.8	0	0	0	0	111.2
239	P	42.7	Very low	32.3	Very low	99 Å²	99	142.8 Å²	142.8	64%	0.643	79%	0.792	S	S	*	*				-147.5	155.4	96.4	40.1	-23.1	0	0	0	111.7
240	F	30.5	Very low	32.6	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.864	79%	0.794	S	S	*	*			cis	-151	153.4	36.8	-87.4	-89.7	0	0	0	110.8
241	V	28.5	Very low	33.1	Very low	109 Å²	109	141.3 Å²	141.3	66%	0.661	79%	0.786	S	S	*	*			trans	-106.1	150.7	-177.3	174.6	0	0	0	0	110.2
242	T	30.1	Very low	32.7	Very low	147 Å²	147	145.3 Å²	145.3	90%	0.902	79%	0.794	S	S	*	*			trans	-141.2	129.7	135.3	49.1	0	0	0	0	110.9
243	S	29.7	Very low	32.1	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.8	170.9	-164.1	-41.5	0	0	0	0	116.3
244	P	35.2	Very low	32	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-102.8	151.5	149.8	35.5	-25.1	0	0	0	112.4
245	I	31.4	Very low	31.9	Very low	150 Å²	150	142.7 Å²	142.7	77%	0.769	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.1	134.8	-178.5	-66.5	167	0	0	0	110.3
246	S	29.5	Very low	31.9	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	80%	0.796	S	S	*	*			trans	-138.8	130.2	156.3	-87.6	0	0	0	0	109.4
247	M	31.8	Very low	31.8	Very low	178 Å²	178	138 Å²	138	88%	0.877	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-91	132.5	-179.7	-77.3	-78.8	157.2	0	0	110.2
248	T	32.2	Very low	31.9	Very low	133 Å²	133	136.3 Å²	136.3	82%	0.816	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-96.9	145.1	175.9	-27.7	0	0	0	0	109.9
249	M	32.8	Very low	31.8	Very low	171 Å²	171	139.8 Å²	139.8	84%	0.842	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-92.3	149.3	165.6	-71.5	-71.6	-74.1	0	0	110.2
250	P	36.3	Very low	31.1	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88.4	156	-177.5	33.8	-32.5	0	0	0	113.7
251	P	43.4	Very low	30.9	Very low	106 Å²	106	142.1 Å²	142.1	69%	0.688	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-100.9	169.1	-178.7	39.7	-32.4	0	0	0	112.9
252	H	32.9	Very low	30.9	Very low	199 Å²	199	140.7 Å²	140.7	92%	0.921	81%	0.808	S	S	*	*			trans	154.3	138.6	153.4	-75.3	-52.4	0	0	0	106.7
253	G	27.8	Very low	30.8	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	80%	0.801	S	S	*	*			cis	-173.5	167.7	3.3	0	0	0	0	0	108
254	S	30	Very low	30.7	Very low	112 Å²	112	145 Å²	145	78%	0.783	80%	0.804	S	S	*	*			trans	-90	149	-173.4	41.8	0	0	0	0	114.4
255	L	27.9	Very low	31.1	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	80%	0.8	S	S	*	*			trans	-179.4	153.8	134.5	-100.4	153.3	0	0	0	114.1
256	Q	29.8	Very low	31.2	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	80%	0.803	S	S	*	*			trans	-82.9	161.1	-168.8	-65.4	166.7	-53.2	0	0	115.4
257	G	27.4	Very low	31.4	Very low	69 Å²	69	149.3 Å²	149.3	71%	0.711	81%	0.809	S	S	*	*			trans	132.4	118.5	135.2	0	0	0	0	0	119.9
258	Y	29	Very low	31.4	Very low	212 Å²	212	145.6 Å²	145.6	83%	0.831	81%	0.807	S	S	*	*			trans	74.8	112.4	147.5	-84.3	-95.9	0	0	0	124.3
259	Q	28.8	Very low	31.5	Very low	157 Å²	157	147.6 Å²	147.6	73%	0.734	81%	0.81	S	S	*	*				62.6	113.3	126.4	-83.4	-170.5	-18.6	0	0	125.4
260	T	27.1	Very low	31.5	Very low	111 Å²	111	149 Å²	149	68%	0.681	81%	0.812	S	S	*	*				65	138.4	125.5	49.3	0	0	0	0	126
261	Y	27.6	Very low	31.1	Very low	233 Å²	233	148.5 Å²	148.5	91%	0.914	81%	0.811	S	S	*	*			trans	89.2	129.8	155.5	-78.1	-75.5	0	0	0	121.7
262	G	27.4	Very low	30.5	Very low	79 Å²	79	152.7 Å²	152.7	81%	0.814	82%	0.822	S	S	*	*			trans	150.5	121	153.5	0	0	0	0	0	116.9
263	H	28	Very low	30.4	Very low	162 Å²	162	154 Å²	154	75%	0.75	82%	0.82	S	S	*	*			trans	-95.8	149.8	-169.2	-101.7	-77.6	0	0	0	115.9
264	F	28.8	Very low	31.2	Very low	178 Å²	178	155.5 Å²	155.5	78%	0.781	82%	0.815	S	S	*	*			trans	63.1	165.5	146.2	-79.5	-62.4	0	0	0	121.9
265	P	43.5	Very low	31.5	Very low	116 Å²	116	157.6 Å²	157.6	75%	0.753	82%	0.818	S	S	*	*			cis	-135.7	167.4	-16.2	28.2	-5.7	0	0	0	117.2
266	S	34.1	Very low	32.1	Very low	118 Å²	118	155 Å²	155	83%	0.825	81%	0.811	S	S	*	*			trans	-69.4	150	167.1	-53.2	0	0	0	0	114
267	R	33.5	Very low	32.3	Very low	252 Å²	252	157.3 Å²	157.3	95%	0.951	81%	0.813	S	S	*	*			trans	-120.8	124	162	-86	-174	175.3	178.2	-0.6	111
268	A	31.3	Very low	32.8	Very low	100 Å²	100	160.4 Å²	160.4	83%	0.826	82%	0.819	S	S	*	*			trans	-97.7	157.4	166.2	0	0	0	0	0	110.3
269	I	34.2	Very low	33	Very low	174 Å²	174	155.5 Å²	155.5	89%	0.892	82%	0.815	S	S	*	*			trans	-120.7	132.5	170.1	-65.7	176.8	0	0	0	108.9
270	K	33	Very low	33.1	Very low	201 Å²	201	153.7 Å²	153.7	87%	0.874	82%	0.82	S	S	*	*			trans	-89.5	159	178.1	-86.8	175.6	166.9	179.2	0	112.3
271	S	26.9	Very low	34	Very low	105 Å²	105	153.2 Å²	153.2	73%	0.734	82%	0.819	S	S	*	*			trans	-159.8	112.1	130.1	68.7	0	0	0	0	108.5
272	E	32	Very low	34.3	Very low	194 Å²	194	150.7 Å²	150.7	91%	0.907	82%	0.815	S	S	*	*				94.6	125.9	89.5	-79.4	-178.4	176.9	0	0	114
273	Y	30.9	Very low	34.6	Very low	227 Å²	227	152.4 Å²	152.4	89%	0.89	82%	0.815	S	S	*	*			trans	-71.6	-172.3	-170.6	-106.1	-100	0	0	0	114.9
274	P	44.6	Very low	34.8	Very low	109 Å²	109	152.6 Å²	152.6	71%	0.708	82%	0.819	S	S	*	*			cis	-134.8	160.8	-8.7	34	-14.3	0	0	0	117.1
275	D	35	Very low	35.1	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	82%	0.819	S	S	*	*			trans	-72.2	156.9	163.7	-73.3	-49.9	0	0	0	113.4
276	P	41.4	Very low	34.6	Very low	113 Å²	113	149.5 Å²	149.5	73%	0.734	82%	0.818	S	S	*	*			trans	-144.9	108.6	136.2	33.4	-14.8	0	0	0	113.1
277	Y	33	Very low	34.4	Very low	237 Å²	237	153.9 Å²	153.9	93%	0.929	82%	0.818	S	S	*	*			trans	-169.3	114.9	137.8	-110.4	-78.2	0	0	0	109.1
278	T	38.4	Very low	34.2	Very low	135 Å²	135	146.4 Å²	146.4	83%	0.828	80%	0.804	S	S	*	*			trans	-126.4	127.8	174.2	150.7	0	0	0	0	108.5
279	S	33.6	Very low	34.1	Very low	108 Å²	108	151 Å²	151	76%	0.755	80%	0.802	S	S	*	*			trans	162.1	128.8	149.1	48.6	0	0	0	0	107
280	S	31.2	Very low	34.2	Very low	119 Å²	119	149.4 Å²	149.4	83%	0.832	79%	0.792	S	S	*	*			cis	-164.5	176.6	30.6	-132.9	0	0	0	0	110.1
281	P	46.5	Very low	34.3	Very low	102 Å²	102	144.8 Å²	144.8	66%	0.662	78%	0.777	S	S	*	*			trans	-100.4	-179.4	-158.9	40.4	-35.4	0	0	0	115.3
282	E	32.4	Very low	34.6	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	77%	0.769	S	S	*	*			trans	98.4	98.3	162.8	-62.1	171.8	174.7	0	0	117.1
283	S	33.7	Very low	35.1	Very low	115 Å²	115	144 Å²	144	80%	0.804	76%	0.764	S	S	*	*				158.1	91.2	122.3	47.2	0	0	0	0	112.4
284	I	32.9	Very low	35.2	Very low	166 Å²	166	141 Å²	141	85%	0.851	76%	0.757	S	S	*	*			trans	-138.8	99.4	156.2	-63.2	-174.7	0	0	0	109	G286	I284-G286 PolarHBondContact O-N 3.48Å
285	M	34.7	Very low	34.9	Very low	158 Å²	158	141.6 Å²	141.6	78%	0.778	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.7	124.1	153.2	-90.6	163.6	56.2	0	0	108	Y287	M285-Y287 PolarHBondContact O-N 3.4Å
286	G	32.5	Very low	35.5	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.1	130.2	177.8	0	0	0	0	0	111.8	I284	I284-G286 PolarHBondContact O-N 3.48Å
287	Y	31.6	Very low	35.8	Very low	211 Å²	211	138.6 Å²	138.6	83%	0.827	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-103	123.1	153.8	-77.2	-80.9	0	0	0	108.4	M285 Y289	M285-Y287 PolarHBondContact O-N 3.4Å; Y287-Y289 PolarHBondContact O-N 3.25Å
288	S	27.7	Very low	36.7	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-55	126.7	174.5	-178.3	0	0	0	0	110.9	M290	S288-M290 PolarHBondContact O-N 3.43Å; S288-M290 VanDerWaalsContact O-N 3.07Å
289	Y	30.2	Very low	37.9	Very low	197 Å²	197	129.1 Å²	129.1	77%	0.773	73%	0.728	S	S	*	*			trans	-70.9	96.1	165.1	-169.5	-94.9	0	0	0	107.6	Y287 D291	Y287-Y289 PolarHBondContact O-N 3.25Å; Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 3.97Å; Y289-D291 PolarHBondContact O-N 3.45Å; Y289-D291 VanDerWaalsContact O-N 3.16Å
290	M	35.4	Very low	40.3	Very low	141 Å²	141	127.8 Å²	127.8	70%	0.695	72%	0.719	S	S	*	*			trans	-77.1	93.8	166.6	-78.1	-75.8	101.3	0	0	108.3	S288 S292	S288-M290 PolarHBondContact O-N 3.43Å; S288-M290 VanDerWaalsContact O-N 3.07Å; M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 3.43Å
291	D	36.1	Very low	43.3	Very low	104 Å²	104	125.2 Å²	125.2	56%	0.556	70%	0.695	S	S	*	*			trans	-66.3	90.3	161.2	-157.7	9	0	0	0	107.5	Y289	Y289-D291 HydrophobicContact CD1-CB 4.09Å; Y289-D291 HydrophobicContact CE1-CB 3.97Å; Y289-D291 PolarHBondContact O-N 3.45Å; Y289-D291 VanDerWaalsContact O-N 3.16Å
292	S	33.5	Very low	45.6	Very low	79 Å²	79	121.7 Å²	121.7	55%	0.552	67%	0.672	S	S	*	*			trans	-100.1	93.6	177	-53.4	0	0	0	0	107.7	M290 Q294	M290-S292 VanDerWaalsContact C-N 3.25Å; M290-S292 PolarHBondContact O-N 3.43Å; S292-Q294 PolarHBondContact O-N 3.24Å
293	Y	40.9	Very low	48.6	Very low	204 Å²	204	119.3 Å²	119.3	80%	0.8	66%	0.661	S	S	*	*			trans	-61.7	86.1	153.6	-73.2	-90.1	0	0	0	107.5	T295	Y293-T295 PolarHBondContact O-N 3.12Å; Y293-T295 VanDerWaalsContact O-N 3.14Å
294	Q	33.1	Very low	51.6	Low	162 Å²	162	115.3 Å²	115.3	76%	0.757	63%	0.63	S	S	*	*			trans	-72.5	105.2	168.8	-90.9	-178.4	-9	0	0	108.4	S292 S296	S292-Q294 PolarHBondContact O-N 3.24Å; Q294-S296 PolarHBondContact O-N 3.41Å
295	T	39.9	Very low	54.7	Low	122 Å²	122	107.4 Å²	107.4	75%	0.748	59%	0.59	S	S	*	*			trans	-37.9	115.6	153.1	44.6	0	0	0	0	111.7	Y293 S297	Y293-T295 PolarHBondContact O-N 3.12Å; Y293-T295 VanDerWaalsContact O-N 3.14Å; T295-S297 PolarHBondContact O-N 3.38Å
296	S	46.6	Very low	57.7	Low	113 Å²	113	103.2 Å²	103.2	79%	0.79	57%	0.57	S	S	*	*			trans	33.3	77.1	151.2	60.3	0	0	0	0	117	Q294	Q294-S296 PolarHBondContact O-N 3.41Å
297	S	47.1	Very low	60.8	Low	93 Å²	93	102.3 Å²	102.3	65%	0.65	55%	0.547	S	S	*	.			trans	-66.3	138.6	152.9	-74.7	0	0	0	0	108.8	T295	T295-S297 PolarHBondContact O-N 3.38Å
298	P	53.1	Low	63.9	Low	117 Å²	117	92.4 Å²	92.4	76%	0.76	51%	0.508	S	S	*	.			trans	-59.7	144.5	175.7	25.3	-31.5	0	0	0	109.1	S300	P298-S300 PolarHBondContact O-N 3.01Å
299	A	63.7	Low	67.2	Low	57 Å²	57	89.7 Å²	89.7	47%	0.471	49%	0.486	S	S	.	.			trans	-54.6	112	180	0	0	0	0	0	109.5	N488	A299-N488 HydrophobicContact CB-CB 4.42Å; A299-N488 WeakPolarHBondContact CB-OD1 3.4Å
300	S	84.1	Confident	70.3	Confident	80 Å²	80	87.1 Å²	87.1	56%	0.559	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-87.5	136.1	-175.9	60.4	0	0	0	0	109.7	P298	P298-S300 PolarHBondContact O-N 3.01Å
301	I	93.9	Very high	73.3	Confident	64 Å²	64	81.3 Å²	81.3	33%	0.328	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-90.5	122.7	174.5	-55.1	-179.2	0	0	0	107.3	H303 I305 L306 R446 Y484	I301-H303 PolarHBondContact O-N 2.97Å; I301-I305 HydrophobicContact CG2-CB 4Å; I301-I305 HydrophobicContact CG2-CG2 3.92Å; I301-L306 HydrophobicContact CB-CD2 4.19Å; I301-L306 HydrophobicContact CB-CG 4.48Å; I301-L306 HydrophobicContact CD1-CD2 4.48Å; I301-L306 HydrophobicContact CG2-CD2 3.81Å; I301-L306 HydrophobicContact CG2-CG 4.05Å; I301-R446 HydrophobicContact CG2-CG 4.34Å; I301-Y484 HydrophobicContact CG1-CE2 4.13Å; I301-Y484 HydrophobicContact CG2-CD2 4.35Å; I301-Y484 HydrophobicContact CG2-CE2 4.48Å
302	P	95	Very high	76.1	Confident	28 Å²	28	78.3 Å²	78.3	18%	0.182	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-53.4	137.8	176.5	-28.5	35.4	0	0	0	112.3	L304 I305 L306 A480 D483	P302-L304 PolarHBondContact O-N 2.76Å; P302-I305 HydrophobicContact CB-CD1 4.47Å; P302-I305 HydrophobicContact CB-CG1 4.3Å; P302-I305 HydrophobicContact CG-CD1 4.23Å; P302-I305 WeakPolarHBondContact O-CB 3.46Å; P302-I305 PolarHBondContact O-N 3.29Å; P302-L306 PolarHBondContact O-N 2.96Å; P302-A480 HydrophobicContact CB-CB 4.09Å; P302-D483 HydrophobicContact CG-CB 4.19Å
303	H	95.3	Very high	79	Confident	130 Å²	130	77.6 Å²	77.6	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-56	-38.4	-175.8	-179.5	54.1	0	0	0	112.6	I301 I305 L306 E307	I301-H303 PolarHBondContact O-N 2.97Å; H303-I305 VanDerWaalsContact C-N 3.32Å; H303-I305 PolarHBondContact O-N 3.22Å; H303-L306 WeakPolarHBondContact O-CB 3.49Å; H303-L306 PolarHBondContact O-N 3.09Å; H303-L306 VanDerWaalsContact O-N 3.09Å; H303-E307 IonicContact CE1-OE1 3.88Å; H303-E307 PolarHBondContact CE1-OE1 3.47Å; H303-E307 IonicContact ND1-OE1 3.5Å; H303-E307 IonicContact NE2-OE1 2.74Å; H303-E307 PolarHBondContact O-N 2.94Å; H303-E307 VanDerWaalsContact O-N 3.08Å
304	L	97.1	Very high	81.5	Confident	31 Å²	31	71.6 Å²	71.6	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-55.4	-46.7	175.7	179.5	59.8	0	0	0	111.8	P302 L306 E307 L308 F365 Q476 V477 A480	P302-L304 PolarHBondContact O-N 2.76Å; L304-L306 PolarHBondContact O-N 3.39Å; L304-E307 WeakPolarHBondContact O-CA 3.44Å; L304-E307 WeakPolarHBondContact O-CB 3.3Å; L304-E307 PolarHBondContact O-N 2.92Å; L304-L308 HydrophobicContact CD1-CD2 4.12Å; L304-L308 HydrophobicContact CD1-CG 4.41Å; L304-L308 HydrophobicContact CG-CG 4.37Å; L304-L308 WeakPolarHBondContact O-CG 3.22Å; L304-L308 PolarHBondContact O-N 3.31Å; L304-F365 HydrophobicContact CD1-CE2 3.79Å; L304-F365 HydrophobicContact CD1-CZ 3.64Å; L304-Q476 HydrophobicContact CD2-CB 3.78Å; L304-Q476 WeakPolarHBondContact CD2-O 3.44Å; L304-V477 HydrophobicContact CD2-CG2 4.35Å; L304-A480 HydrophobicContact CB-CB 4.28Å; L304-A480 HydrophobicContact CD2-CB 4.02Å
305	I	98	Very high	84.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-60.7	-37.6	179.4	-62.5	-172.8	0	0	0	110.9	I301 P302 H303 E307 L308 L309 R446 V449 A480 Y484	I301-I305 HydrophobicContact CG2-CB 4Å; I301-I305 HydrophobicContact CG2-CG2 3.92Å; P302-I305 HydrophobicContact CB-CD1 4.47Å; P302-I305 HydrophobicContact CB-CG1 4.3Å; P302-I305 HydrophobicContact CG-CD1 4.23Å; P302-I305 WeakPolarHBondContact O-CB 3.46Å; P302-I305 PolarHBondContact O-N 3.29Å; H303-I305 VanDerWaalsContact C-N 3.32Å; H303-I305 PolarHBondContact O-N 3.22Å; I305-E307 VanDerWaalsContact C-N 3.33Å; I305-E307 PolarHBondContact O-N 3.46Å; I305-L308 PolarHBondContact O-N 3.06Å; I305-L309 HydrophobicContact CG2-CD1 4.26Å; I305-L309 HydrophobicContact CG2-CG 4.47Å; I305-L309 WeakPolarHBondContact O-CB 3.26Å; I305-L309 WeakPolarHBondContact O-CG 3.3Å; I305-L309 PolarHBondContact O-N 3.31Å; I305-R446 HydrophobicContact CG2-CB 3.72Å; I305-R446 HydrophobicContact CG2-CG 3.67Å; I305-V449 HydrophobicContact CG2-CG2 4.38Å; I305-A480 HydrophobicContact CD1-CB 4.4Å; I305-A480 HydrophobicContact CG1-CB 4.05Å; I305-Y484 HydrophobicContact CD1-CD2 4.22Å; I305-Y484 HydrophobicContact CD1-CG 3.87Å
306	L	96.8	Very high	86.9	Confident	70 Å²	70	66 Å²	66	37%	0.366	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-39.1	175	-60.3	175.3	0	0	0	111.7	I301 P302 H303 L304 L309 K310	I301-L306 HydrophobicContact CB-CD2 4.19Å; I301-L306 HydrophobicContact CB-CG 4.48Å; I301-L306 HydrophobicContact CD1-CD2 4.48Å; I301-L306 HydrophobicContact CG2-CD2 3.81Å; I301-L306 HydrophobicContact CG2-CG 4.05Å; P302-L306 PolarHBondContact O-N 2.96Å; H303-L306 WeakPolarHBondContact O-CB 3.49Å; H303-L306 PolarHBondContact O-N 3.09Å; H303-L306 VanDerWaalsContact O-N 3.09Å; L304-L306 PolarHBondContact O-N 3.39Å; L306-L309 HydrophobicContact CD2-CD1 4.45Å; L306-L309 PolarHBondContact O-N 2.82Å; L306-K310 WeakPolarHBondContact O-CG 3.45Å; L306-K310 PolarHBondContact O-N 3.29Å
307	E	96.8	Very high	89.2	Confident	52 Å²	52	66.7 Å²	66.7	24%	0.243	37%	0.373	C	S	.	.	H	α-helix	trans	-67.5	-39.9	173.5	-63.5	-52.3	130.8	0	0	112.3	H303 L304 I305 L309 K310	H303-E307 IonicContact CE1-OE1 3.88Å; H303-E307 PolarHBondContact CE1-OE1 3.47Å; H303-E307 IonicContact ND1-OE1 3.5Å; H303-E307 IonicContact NE2-OE1 2.74Å; H303-E307 PolarHBondContact O-N 2.94Å; H303-E307 VanDerWaalsContact O-N 3.08Å; L304-E307 WeakPolarHBondContact O-CA 3.44Å; L304-E307 WeakPolarHBondContact O-CB 3.3Å; L304-E307 PolarHBondContact O-N 2.92Å; I305-E307 VanDerWaalsContact C-N 3.33Å; I305-E307 PolarHBondContact O-N 3.46Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.39Å; E307-K310 PolarHBondContact O-N 3.46Å; E307-K310 IonicContact OE1-NZ 3.89Å; E307-K310 PolarHBondContact OE1-NZ 2.96Å; E307-K310 IonicContact OE2-NZ 3.96Å; E307-K310 PolarHBondContact OE2-NZ 3.31Å
308	L	97.4	Very high	91.5	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-41.5	175.3	-56.9	-172.4	0	0	0	111.3	L304 I305 K310 C311 F365 V449 F453 V477	L304-L308 HydrophobicContact CD1-CD2 4.12Å; L304-L308 HydrophobicContact CD1-CG 4.41Å; L304-L308 HydrophobicContact CG-CG 4.37Å; L304-L308 WeakPolarHBondContact O-CG 3.22Å; L304-L308 PolarHBondContact O-N 3.31Å; I305-L308 PolarHBondContact O-N 3.06Å; L308-K310 VanDerWaalsContact C-N 3.28Å; L308-K310 PolarHBondContact O-N 3.06Å; L308-C311 VanDerWaalsContact O-CB 3.23Å; L308-C311 WeakPolarHBondContact O-CB 3.38Å; L308-C311 PolarHBondContact O-N 2.86Å; L308-C311 VanDerWaalsContact O-N 3.07Å; L308-F365 HydrophobicContact CD2-CD2 4.48Å; L308-F365 HydrophobicContact CD2-CE2 3.96Å; L308-V449 HydrophobicContact CB-CB 4.4Å; L308-V449 HydrophobicContact CB-CG2 4.09Å; L308-F453 HydrophobicContact CB-CD2 4.18Å; L308-F453 HydrophobicContact CB-CE2 3.93Å; L308-F453 HydrophobicContact CD1-CB 4.39Å; L308-F453 HydrophobicContact CD1-CD2 3.92Å; L308-F453 HydrophobicContact CD1-CE2 4.43Å; L308-F453 HydrophobicContact CD1-CG 4.1Å; L308-F453 HydrophobicContact CD2-CD1 3.92Å; L308-F453 HydrophobicContact CD2-CD2 3.91Å; L308-F453 HydrophobicContact CD2-CE1 3.76Å; L308-F453 HydrophobicContact CD2-CE2 3.73Å; L308-F453 HydrophobicContact CD2-CG 4Å; L308-F453 HydrophobicContact CD2-CZ 3.66Å; L308-F453 HydrophobicContact CG-CD2 4.19Å; L308-F453 HydrophobicContact CG-CE2 4.2Å; L308-V477 HydrophobicContact CD1-CG1 4.5Å; L308-V477 HydrophobicContact CD1-CG2 4.19Å
309	L	97.1	Very high	93.5	Very high	37 Å²	37	60.7 Å²	60.7	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-34.2	178.1	-80.2	169.3	0	0	0	112.8	I305 L306 E307 C311 E312 Q445 R446 V449	I305-L309 HydrophobicContact CG2-CD1 4.26Å; I305-L309 HydrophobicContact CG2-CG 4.47Å; I305-L309 WeakPolarHBondContact O-CB 3.26Å; I305-L309 WeakPolarHBondContact O-CG 3.3Å; I305-L309 PolarHBondContact O-N 3.31Å; L306-L309 HydrophobicContact CD2-CD1 4.45Å; L306-L309 PolarHBondContact O-N 2.82Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.39Å; L309-C311 PolarHBondContact O-N 3.44Å; L309-E312 WeakPolarHBondContact O-CB 3.43Å; L309-E312 PolarHBondContact O-N 2.91Å; L309-Q445 HydrophobicContact CD2-CG 3.84Å; L309-R446 HydrophobicContact CD1-CG 4.08Å; L309-V449 HydrophobicContact CD2-CG1 3.86Å; L309-V449 HydrophobicContact CD2-CG2 4.04Å; L309-V449 HydrophobicContact CG-CG2 4.1Å
310	K	96.2	Very high	95.1	Very high	143 Å²	143	60.8 Å²	60.8	62%	0.622	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.3	176.6	-68.2	172.2	-170.6	172.6	0	113.2	L306 E307 L308 E312	L306-K310 WeakPolarHBondContact O-CG 3.45Å; L306-K310 PolarHBondContact O-N 3.29Å; E307-K310 PolarHBondContact O-N 3.46Å; E307-K310 IonicContact OE1-NZ 3.89Å; E307-K310 PolarHBondContact OE1-NZ 2.96Å; E307-K310 IonicContact OE2-NZ 3.96Å; E307-K310 PolarHBondContact OE2-NZ 3.31Å; L308-K310 VanDerWaalsContact C-N 3.28Å; L308-K310 PolarHBondContact O-N 3.06Å; K310-E312 VanDerWaalsContact C-N 3.32Å
311	C	97	Very high	95.6	Very high	18 Å²	18	61.7 Å²	61.7	12%	0.122	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.7	176.1	-57.7	0	0	0	0	112	L308 L309 W359 S362	L308-C311 VanDerWaalsContact O-CB 3.23Å; L308-C311 WeakPolarHBondContact O-CB 3.38Å; L308-C311 PolarHBondContact O-N 2.86Å; L308-C311 VanDerWaalsContact O-N 3.07Å; L309-C311 PolarHBondContact O-N 3.44Å; C311-W359 VanDerWaalsContact O-CD1 3.23Å; C311-S362 WeakPolarHBondContact CA-OG 3.41Å; C311-S362 VanDerWaalsContact CB-OG 3.3Å; C311-S362 WeakPolarHBondContact CB-OG 3.47Å; C311-S362 PolarHBondContact O-OG 3.24Å
312	E	96.1	Very high	95.7	Very high	41 Å²	41	58.7 Å²	58.7	19%	0.192	31%	0.306	C	S	.	.	S	Bend	trans	-65	130.7	-176.9	-69.9	-63.4	105.5	0	0	110.9	L309 K310 W359 V449 K452	L309-E312 WeakPolarHBondContact O-CB 3.43Å; L309-E312 PolarHBondContact O-N 2.91Å; K310-E312 VanDerWaalsContact C-N 3.32Å; E312-W359 PolarHBondContact OE1-NE1 3.45Å; E312-V449 HydrophobicContact CG-CG1 3.46Å; E312-V449 VanDerWaalsContact CG-CG1 3.46Å; E312-K452 IonicContact OE1-NZ 3.35Å; E312-K452 PolarHBondContact OE1-NZ 3.35Å; E312-K452 IonicContact OE2-NZ 3.74Å; E312-K452 PolarHBondContact OE2-NZ 3.29Å; E312-K452 VanDerWaalsContact OE2-NZ 3.14Å
313	P	94.2	Very high	95.7	Very high	64 Å²	64	60 Å²	60	42%	0.416	31%	0.31	S	S	.	.			trans	-70.6	157.1	178.1	31.5	-35.7	0	0	0	111	E315 V318	P313-E315 PolarHBondContact O-N 3.24Å; P313-E315 VanDerWaalsContact O-N 3.09Å; P313-V318 HydrophobicContact CB-CG2 3.75Å; P313-V318 HydrophobicContact CG-CG2 4.05Å
314	D	93.9	Very high	95.7	Very high	79 Å²	79	56.4 Å²	56.4	42%	0.422	30%	0.303	S	S	.	.			trans	-64.5	110.3	168.8	-178.1	-53.8	0	0	0	109.6	P316 Q317 V318	D314-P316 WeakPolarHBondContact OD1-CD 3.4Å; D314-Q317 HydrophobicContact CB-CB 4.03Å; D314-Q317 HydrophobicContact CB-CG 4.02Å; D314-Q317 VanDerWaalsContact CB-NE2 3.32Å; D314-Q317 PolarHBondContact O-N 3.38Å; D314-Q317 WeakPolarHBondContact OD1-CG 3.48Å; D314-Q317 PolarHBondContact OD1-N 3.47Å; D314-Q317 PolarHBondContact OD2-NE2 2.85Å; D314-V318 WeakPolarHBondContact O-CG2 3.37Å; D314-V318 PolarHBondContact O-N 2.83Å
315	E	91.9	Very high	95.6	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-47	-173.9	175.5	170.5	-153.1	0	0	113.2	P313 Q317 V318 Q319 R393	P313-E315 PolarHBondContact O-N 3.24Å; P313-E315 VanDerWaalsContact O-N 3.09Å; E315-Q317 VanDerWaalsContact C-N 3.28Å; E315-Q317 PolarHBondContact O-N 3.14Å; E315-V318 PolarHBondContact O-N 2.8Å; E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 PolarHBondContact O-N 2.89Å; E315-R393 IonicContact OE1-CZ 2.81Å; E315-R393 IonicContact OE1-NH1 3.68Å; E315-R393 PolarHBondContact OE1-NH1 3.33Å; E315-R393 IonicContact OE1-NH2 3.6Å
316	P	94.2	Very high	95.3	Very high	88 Å²	88	58.5 Å²	58.5	57%	0.571	31%	0.31	S	S	*	.	H	α-helix	trans	-53.4	-40.8	170.9	-28.4	32.6	0	0	0	114.3	D314 A320	D314-P316 WeakPolarHBondContact OD1-CD 3.4Å; P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 2.92Å
317	Q	95	Very high	95	Very high	129 Å²	129	60.8 Å²	60.8	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-67.2	-44.5	177.9	-71	-179.7	59.7	0	0	111.9	D314 E315 A320 K321	D314-Q317 HydrophobicContact CB-CB 4.03Å; D314-Q317 HydrophobicContact CB-CG 4.02Å; D314-Q317 VanDerWaalsContact CB-NE2 3.32Å; D314-Q317 PolarHBondContact O-N 3.38Å; D314-Q317 WeakPolarHBondContact OD1-CG 3.48Å; D314-Q317 PolarHBondContact OD1-N 3.47Å; D314-Q317 PolarHBondContact OD2-NE2 2.85Å; E315-Q317 VanDerWaalsContact C-N 3.28Å; E315-Q317 PolarHBondContact O-N 3.14Å; Q317-A320 PolarHBondContact O-N 3.46Å; Q317-K321 WeakPolarHBondContact O-CB 3.2Å; Q317-K321 PolarHBondContact O-N 2.91Å
318	V	94.4	Very high	94.7	Very high	25 Å²	25	63.7 Å²	63.7	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-45.5	175.6	172.9	0	0	0	0	110.6	P313 D314 E315 A320 K321 I322	P313-V318 HydrophobicContact CB-CG2 3.75Å; P313-V318 HydrophobicContact CG-CG2 4.05Å; D314-V318 WeakPolarHBondContact O-CG2 3.37Å; D314-V318 PolarHBondContact O-N 2.83Å; E315-V318 PolarHBondContact O-N 2.8Å; V318-A320 PolarHBondContact O-N 2.96Å; V318-K321 PolarHBondContact O-N 3.16Å; V318-I322 HydrophobicContact CG1-CD1 3.72Å; V318-I322 HydrophobicContact CG1-CG1 4.41Å; V318-I322 WeakPolarHBondContact O-CG1 3.2Å; V318-I322 PolarHBondContact O-N 3.04Å
319	Q	95.4	Very high	94.1	Very high	58 Å²	58	65.2 Å²	65.2	27%	0.271	34%	0.34	S	S	.	.	H	α-helix	trans	-56.5	-49.4	176.1	176.8	-177.3	-17.5	0	0	111.5	E315 I322 M323 V406 T407	E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 PolarHBondContact O-N 2.89Å; Q319-I322 PolarHBondContact O-N 3.36Å; Q319-M323 WeakPolarHBondContact O-CB 3.33Å; Q319-M323 PolarHBondContact O-N 3.41Å; Q319-V406 WeakPolarHBondContact CG-O 3.48Å; Q319-T407 WeakPolarHBondContact CG-O 3.36Å; Q319-T407 PolarHBondContact NE2-O 2.86Å
320	A	96.4	Very high	93.5	Very high	59 Å²	59	68.1 Å²	68.1	49%	0.488	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-43.6	179.8	0	0	0	0	0	111.9	P316 Q317 V318 M323 A324	P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 2.92Å; Q317-A320 PolarHBondContact O-N 3.46Å; V318-A320 PolarHBondContact O-N 2.96Å; A320-M323 PolarHBondContact O-N 2.93Å; A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.98Å
321	K	96.1	Very high	92.9	Very high	99 Å²	99	65.1 Å²	65.1	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-48.8	176.9	-176.4	-179.2	175.6	-175.3	0	111.4	Q317 V318 Y325 E358	Q317-K321 WeakPolarHBondContact O-CB 3.2Å; Q317-K321 PolarHBondContact O-N 2.91Å; V318-K321 PolarHBondContact O-N 3.16Å; K321-Y325 WeakPolarHBondContact O-CB 3.36Å; K321-Y325 PolarHBondContact O-N 3.32Å; K321-E358 IonicContact NZ-OE1 3.67Å; K321-E358 PolarHBondContact NZ-OE1 3.05Å; K321-E358 IonicContact NZ-OE2 3Å; K321-E358 PolarHBondContact NZ-OE2 2.89Å
322	I	95.9	Very high	92	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-66.2	-43.5	-179.9	-64.9	172.4	0	0	0	110.9	V318 Q319 Y325 L326 M348 Q351 V406 T407	V318-I322 HydrophobicContact CG1-CD1 3.72Å; V318-I322 HydrophobicContact CG1-CG1 4.41Å; V318-I322 WeakPolarHBondContact O-CG1 3.2Å; V318-I322 PolarHBondContact O-N 3.04Å; Q319-I322 PolarHBondContact O-N 3.36Å; I322-Y325 PolarHBondContact O-N 3.34Å; I322-L326 HydrophobicContact CG2-CD1 4.01Å; I322-L326 HydrophobicContact CG2-CG 4.41Å; I322-L326 WeakPolarHBondContact O-CG 3.45Å; I322-L326 PolarHBondContact O-N 3.49Å; I322-M348 HydrophobicContact CG2-CG 4.09Å; I322-Q351 HydrophobicContact CG1-CB 3.91Å; I322-Q351 HydrophobicContact CG2-CB 4.4Å; I322-V406 HydrophobicContact CD1-CG1 4.06Å; I322-V406 HydrophobicContact CD1-CG2 3.71Å; I322-V406 HydrophobicContact CG2-CG1 4.31Å; I322-T407 HydrophobicContact CG2-CG2 4.13Å
323	M	95.1	Very high	91	Very high	57 Å²	57	72.9 Å²	72.9	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-45.7	179	-173.1	-176.1	-61.4	0	0	111.7	Q319 A320 Y325 L326 Q327 T407	Q319-M323 WeakPolarHBondContact O-CB 3.33Å; Q319-M323 PolarHBondContact O-N 3.41Å; A320-M323 PolarHBondContact O-N 2.93Å; M323-Y325 VanDerWaalsContact C-N 3.35Å; M323-Y325 PolarHBondContact O-N 3.43Å; M323-L326 PolarHBondContact O-N 3.25Å; M323-Q327 WeakPolarHBondContact O-CG 3.41Å; M323-Q327 PolarHBondContact O-N 2.61Å; M323-T407 WeakPolarHBondContact CE-O 3.46Å
324	A	95.2	Very high	89.8	Confident	54 Å²	54	72.9 Å²	72.9	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-43.9	177.6	0	0	0	0	0	111.6	A320 L326 Q327 Q328	A320-A324 WeakPolarHBondContact O-CB 3.39Å; A320-A324 PolarHBondContact O-N 2.98Å; A324-L326 PolarHBondContact O-N 2.93Å; A324-Q327 PolarHBondContact O-N 3.26Å; A324-Q328 WeakPolarHBondContact O-CB 3.12Å; A324-Q328 PolarHBondContact O-N 3.28Å
325	Y	93.9	Very high	88.1	Confident	55 Å²	55	78 Å²	78	22%	0.216	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-47.5	175.9	176.4	-94.1	0	0	0	112.2	K321 I322 M323 Q327 Q328 E329 K347 Q351	K321-Y325 WeakPolarHBondContact O-CB 3.36Å; K321-Y325 PolarHBondContact O-N 3.32Å; I322-Y325 PolarHBondContact O-N 3.34Å; M323-Y325 VanDerWaalsContact C-N 3.35Å; M323-Y325 PolarHBondContact O-N 3.43Å; Y325-Q327 PolarHBondContact O-N 2.92Å; Y325-Q328 PolarHBondContact O-N 3.45Å; Y325-E329 HydrophobicContact CD1-CG 4.23Å; Y325-E329 HydrophobicContact CE1-CG 3.74Å; Y325-E329 HydrophobicContact CE2-CG 4.29Å; Y325-E329 PolarHBondContact O-N 3.46Å; Y325-K347 HydrophobicContact CE1-CB 4.4Å; Y325-K347 HydrophobicContact CE1-CD 4.21Å; Y325-Q351 HydrophobicContact CD1-CG 3.37Å; Y325-Q351 HydrophobicContact CD2-CG 4.49Å; Y325-Q351 HydrophobicContact CE1-CG 3.61Å; Y325-Q351 HydrophobicContact CG-CG 3.86Å
326	L	91.9	Very high	86.3	Confident	20 Å²	20	83.4 Å²	83.4	11%	0.105	43%	0.433	C	S	.	.	H	α-helix	trans	-65.4	-38	-179.9	-68.4	174.1	0	0	0	112.4	I322 M323 A324 E329 Q330 K347 M348 T407	I322-L326 HydrophobicContact CG2-CD1 4.01Å; I322-L326 HydrophobicContact CG2-CG 4.41Å; I322-L326 WeakPolarHBondContact O-CG 3.45Å; I322-L326 PolarHBondContact O-N 3.49Å; M323-L326 PolarHBondContact O-N 3.25Å; A324-L326 PolarHBondContact O-N 2.93Å; L326-E329 PolarHBondContact O-N 2.97Å; L326-Q330 WeakPolarHBondContact O-CG 3.48Å; L326-Q330 PolarHBondContact O-N 3.36Å; L326-Q330 VanDerWaalsContact O-N 3.14Å; L326-K347 HydrophobicContact CD2-CB 3.76Å; L326-M348 HydrophobicContact CD1-CB 4.07Å; L326-M348 HydrophobicContact CD1-CG 4.25Å; L326-M348 HydrophobicContact CD2-CB 4.45Å; L326-T407 HydrophobicContact CD1-CG2 3.71Å
327	Q	90.9	Very high	85	Confident	117 Å²	117	84.8 Å²	84.8	55%	0.547	43%	0.432	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.7	-72.8	173.8	-0.4	0	0	111.5	M323 A324 Y325 Q330 A331	M323-Q327 WeakPolarHBondContact O-CG 3.41Å; M323-Q327 PolarHBondContact O-N 2.61Å; A324-Q327 PolarHBondContact O-N 3.26Å; Y325-Q327 PolarHBondContact O-N 2.92Å; Q327-Q330 PolarHBondContact O-N 3.33Å; Q327-A331 WeakPolarHBondContact O-CB 3.43Å; Q327-A331 PolarHBondContact O-N 3.18Å
328	Q	90	Very high	83.8	Confident	113 Å²	113	86.3 Å²	86.3	53%	0.528	44%	0.436	S	S	.	.	H	α-helix	trans	-62.4	-45.2	175.9	-175.7	180	10.1	0	0	111.8	A324 Y325 Q330 A331 N332	A324-Q328 WeakPolarHBondContact O-CB 3.12Å; A324-Q328 PolarHBondContact O-N 3.28Å; Y325-Q328 PolarHBondContact O-N 3.45Å; Q328-Q330 PolarHBondContact O-N 3.09Å; Q328-A331 PolarHBondContact O-N 3.43Å; Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 VanDerWaalsContact O-CG 3.28Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3.13Å
329	E	85.7	Confident	82.9	Confident	35 Å²	35	87.1 Å²	87.1	16%	0.164	44%	0.439	C	S	.	.	H	α-helix	trans	-60.5	-33.9	176.8	-77.9	-71.7	93.8	0	0	112.4	Y325 L326 K347	Y325-E329 HydrophobicContact CD1-CG 4.23Å; Y325-E329 HydrophobicContact CE1-CG 3.74Å; Y325-E329 HydrophobicContact CE2-CG 4.29Å; Y325-E329 PolarHBondContact O-N 3.46Å; L326-E329 PolarHBondContact O-N 2.97Å; E329-K347 WeakPolarHBondContact OE2-CE 3.47Å; E329-K347 IonicContact OE2-NZ 2.63Å; E329-K347 PolarHBondContact OE2-NZ 2.95Å
330	Q	84	Confident	82.4	Confident	98 Å²	98	87.6 Å²	87.6	46%	0.458	45%	0.449	S	S	.	.	H	α-helix	trans	-77.4	-35.1	175.6	-70.8	-179.6	7.7	0	0	112.8	L326 Q327 Q328 L344	L326-Q330 WeakPolarHBondContact O-CG 3.48Å; L326-Q330 PolarHBondContact O-N 3.36Å; L326-Q330 VanDerWaalsContact O-N 3.14Å; Q327-Q330 PolarHBondContact O-N 3.33Å; Q328-Q330 PolarHBondContact O-N 3.09Å; Q330-L344 HydrophobicContact CG-CD2 4.01Å; Q330-L344 VanDerWaalsContact NE2-CD1 3.28Å; Q330-L344 VanDerWaalsContact NE2-CD2 3.28Å
331	A	84.5	Confident	81.7	Confident	80 Å²	80	88.4 Å²	88.4	66%	0.661	45%	0.448	S	S	*	.	H	α-helix	trans	-72.7	-33.9	-179.5	0	0	0	0	0	112.8	Q327 Q328 R333	Q327-A331 WeakPolarHBondContact O-CB 3.43Å; Q327-A331 PolarHBondContact O-N 3.18Å; Q328-A331 PolarHBondContact O-N 3.43Å; A331-R333 PolarHBondContact O-N 2.97Å
332	N	78.4	Confident	81.3	Confident	116 Å²	116	85.1 Å²	85.1	62%	0.62	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-9.4	-179.1	-72	-13.3	0	0	0	113.8	Q328	Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 VanDerWaalsContact O-CG 3.28Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3.13Å
333	R	74.9	Confident	80.9	Confident	107 Å²	107	85.1 Å²	85.1	40%	0.404	43%	0.434	S	S	.	.	S	Bend	trans	-100.7	143.6	-179.1	-67.4	-164.2	-178	-98.1	-1.6	112.2	A331 E337	A331-R333 PolarHBondContact O-N 2.97Å; R333-E337 HydrophobicContact CB-CB 4.42Å; R333-E337 WeakPolarHBondContact CD-O 3.25Å
334	S	67.7	Low	80.5	Confident	64 Å²	64	84.4 Å²	84.4	45%	0.448	43%	0.431	S	S	.	.			trans	-60.9	154.4	175.7	69	0	0	0	0	110.7	H336 E337	S334-H336 PolarHBondContact O-N 3.47Å; S334-E337 PolarHBondContact O-N 3.41Å
335	K	59	Low	80.3	Confident	187 Å²	187	85.1 Å²	85.1	81%	0.813	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.3	-177.5	-75.9	-178.9	179.1	176.4	0	114.1
336	H	54.4	Low	80.2	Confident	190 Å²	190	82.8 Å²	82.8	88%	0.88	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.8	-179.5	-65.6	-76.6	0	0	0	114.5	S334	S334-H336 PolarHBondContact O-N 3.47Å
337	E	66.9	Low	80.2	Confident	117 Å²	117	82.9 Å²	82.9	55%	0.547	42%	0.417	S	S	.	.			trans	-120.6	40.5	-179.3	-71.2	-174.2	145.1	0	0	112.6	R333 S334	R333-E337 HydrophobicContact CB-CB 4.42Å; R333-E337 WeakPolarHBondContact CD-O 3.25Å; S334-E337 PolarHBondContact O-N 3.41Å
338	K	69.1	Low	80.3	Confident	161 Å²	161	78.6 Å²	78.6	70%	0.7	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-71.8	136.3	175.2	-69.6	-174.2	178.9	-175.9	0	110.4
339	L	76.1	Confident	80.6	Confident	41 Å²	41	74.5 Å²	74.5	22%	0.215	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.6	174.1	-72	167.4	0	0	0	110.3	L344 K347 P527	L339-L344 HydrophobicContact CB-CD2 4.04Å; L339-L344 HydrophobicContact CB-CG 3.99Å; L339-L344 HydrophobicContact CD1-CD2 3.98Å; L339-K347 HydrophobicContact CD1-CG 4.24Å; L339-P527 HydrophobicContact CD2-CG 4.48Å
340	S	83.6	Confident	81.1	Confident	69 Å²	69	73 Å²	73	48%	0.483	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.6	160.8	169.1	67.8	0	0	0	0	110.6	F342 G343 L344	S340-F342 PolarHBondContact O-N 3.35Å; S340-G343 WeakPolarHBondContact O-CA 3.34Å; S340-G343 PolarHBondContact O-N 3.12Å; S340-G343 PolarHBondContact OG-N 3.17Å; S340-L344 PolarHBondContact O-N 3.05Å
341	T	83.1	Confident	81.7	Confident	75 Å²	75	69.6 Å²	69.6	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-50.7	-42.2	172.7	-51	0	0	0	0	111.2	L344 M345 Q419	T341-L344 PolarHBondContact O-N 3.23Å; T341-M345 WeakPolarHBondContact O-CG 3.3Å; T341-M345 PolarHBondContact O-N 3.49Å; T341-Q419 PolarHBondContact OG1-OE1 3.3Å
342	F	86.3	Confident	82.3	Confident	31 Å²	31	66.6 Å²	66.6	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175.7	-178.6	-101.7	0	0	0	112.7	S340 L344 M345 C346 Y516 L517 K520 D525 V526	S340-F342 PolarHBondContact O-N 3.35Å; F342-L344 VanDerWaalsContact C-N 3.31Å; F342-L344 PolarHBondContact O-N 3.39Å; F342-M345 HydrophobicContact CB-CE 4.31Å; F342-M345 HydrophobicContact CD2-CE 4.03Å; F342-M345 WeakPolarHBondContact O-CB 3.32Å; F342-M345 PolarHBondContact O-N 3.24Å; F342-M345 VanDerWaalsContact O-N 3.12Å; F342-C346 PolarHBondContact O-N 3.48Å; F342-C346 PolarHBondContact O-SG 3.44Å; F342-Y516 HydrophobicContact CD2-CE1 4.34Å; F342-Y516 HydrophobicContact CE2-CD1 4.46Å; F342-Y516 AromaticContact CE2-CE1 3.75Å; F342-Y516 HydrophobicContact CE2-CE1 3.75Å; F342-L517 HydrophobicContact CZ-CD1 4.16Å; F342-K520 HydrophobicContact CE1-CB 3.62Å; F342-K520 HydrophobicContact CE1-CD 4.28Å; F342-K520 HydrophobicContact CE1-CG 3.93Å; F342-K520 HydrophobicContact CE2-CB 4.36Å; F342-K520 HydrophobicContact CE2-CG 4.01Å; F342-K520 HydrophobicContact CZ-CB 3.42Å; F342-K520 VanDerWaalsContact CZ-CB 3.42Å; F342-K520 HydrophobicContact CZ-CD 4.31Å; F342-K520 HydrophobicContact CZ-CG 3.54Å; F342-D525 HydrophobicContact CD1-CB 4.19Å; F342-D525 HydrophobicContact CE1-CB 4.12Å; F342-V526 HydrophobicContact CE1-CG2 3.7Å; F342-V526 HydrophobicContact CZ-CG2 4.04Å
343	G	88	Confident	83.2	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-38.9	175.6	0	0	0	0	0	113.2	S340 C346 K347	S340-G343 WeakPolarHBondContact O-CA 3.34Å; S340-G343 PolarHBondContact O-N 3.12Å; S340-G343 PolarHBondContact OG-N 3.17Å; G343-C346 PolarHBondContact O-N 2.92Å; G343-K347 WeakPolarHBondContact O-CG 3.43Å; G343-K347 PolarHBondContact O-N 3.04Å; G343-K347 VanDerWaalsContact O-N 3.08Å
344	L	87.7	Confident	84.2	Confident	41 Å²	41	60 Å²	60	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-41	173.2	-69.5	172.1	0	0	0	112	Q330 L339 S340 T341 F342 C346 K347 M348	Q330-L344 HydrophobicContact CG-CD2 4.01Å; Q330-L344 VanDerWaalsContact NE2-CD1 3.28Å; Q330-L344 VanDerWaalsContact NE2-CD2 3.28Å; L339-L344 HydrophobicContact CB-CD2 4.04Å; L339-L344 HydrophobicContact CB-CG 3.99Å; L339-L344 HydrophobicContact CD1-CD2 3.98Å; S340-L344 PolarHBondContact O-N 3.05Å; T341-L344 PolarHBondContact O-N 3.23Å; F342-L344 VanDerWaalsContact C-N 3.31Å; F342-L344 PolarHBondContact O-N 3.39Å; L344-C346 VanDerWaalsContact C-N 3.35Å; L344-C346 PolarHBondContact O-N 3.26Å; L344-K347 PolarHBondContact O-N 2.95Å; L344-M348 WeakPolarHBondContact O-CB 3.33Å; L344-M348 PolarHBondContact O-N 2.75Å
345	M	89.6	Confident	85.6	Confident	70 Å²	70	57.5 Å²	57.5	35%	0.345	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.4	-71.5	-171	-64.7	0	0	112	T341 F342 M348 A349	T341-M345 WeakPolarHBondContact O-CG 3.3Å; T341-M345 PolarHBondContact O-N 3.49Å; F342-M345 HydrophobicContact CB-CE 4.31Å; F342-M345 HydrophobicContact CD2-CE 4.03Å; F342-M345 WeakPolarHBondContact O-CB 3.32Å; F342-M345 PolarHBondContact O-N 3.24Å; F342-M345 VanDerWaalsContact O-N 3.12Å; M345-M348 PolarHBondContact O-N 2.75Å; M345-A349 WeakPolarHBondContact O-CB 3.47Å; M345-A349 PolarHBondContact O-N 3.31Å
346	C	92.2	Very high	87.5	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-45.2	175	-69.2	0	0	0	0	111.8	F342 G343 L344 M348 A349 D350 V526 L532	F342-C346 PolarHBondContact O-N 3.48Å; F342-C346 PolarHBondContact O-SG 3.44Å; G343-C346 PolarHBondContact O-N 2.92Å; L344-C346 VanDerWaalsContact C-N 3.35Å; L344-C346 PolarHBondContact O-N 3.26Å; C346-M348 VanDerWaalsContact C-N 3.34Å; C346-M348 PolarHBondContact O-N 3.42Å; C346-A349 PolarHBondContact O-N 2.76Å; C346-D350 WeakPolarHBondContact O-CB 3.27Å; C346-D350 PolarHBondContact O-N 3.46Å; C346-V526 HydrophobicContact CB-CG1 4.42Å; C346-L532 HydrophobicContact CB-CD2 4.28Å
347	K	91.6	Very high	89.5	Confident	22 Å²	22	41.4 Å²	41.4	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-39	177.1	-72.2	-75.5	-178.9	154.1	0	112.4	Y325 L326 E329 L339 G343 L344 D350 Q351	Y325-K347 HydrophobicContact CE1-CB 4.4Å; Y325-K347 HydrophobicContact CE1-CD 4.21Å; L326-K347 HydrophobicContact CD2-CB 3.76Å; E329-K347 WeakPolarHBondContact OE2-CE 3.47Å; E329-K347 IonicContact OE2-NZ 2.63Å; E329-K347 PolarHBondContact OE2-NZ 2.95Å; L339-K347 HydrophobicContact CD1-CG 4.24Å; G343-K347 WeakPolarHBondContact O-CG 3.43Å; G343-K347 PolarHBondContact O-N 3.04Å; G343-K347 VanDerWaalsContact O-N 3.08Å; L344-K347 PolarHBondContact O-N 2.95Å; K347-D350 PolarHBondContact O-N 3.22Å; K347-Q351 WeakPolarHBondContact O-CG 3.22Å; K347-Q351 PolarHBondContact O-N 3.33Å; K347-Q351 VanDerWaalsContact O-N 3.08Å
348	M	94.4	Very high	90.9	Very high	28 Å²	28	40.9 Å²	40.9	14%	0.138	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-44.9	175.2	-175.6	178.8	67.8	0	0	111.6	I322 L326 L344 M345 C346 D350 Q351 T352 L405 V406 T407	I322-M348 HydrophobicContact CG2-CG 4.09Å; L326-M348 HydrophobicContact CD1-CB 4.07Å; L326-M348 HydrophobicContact CD1-CG 4.25Å; L326-M348 HydrophobicContact CD2-CB 4.45Å; L344-M348 WeakPolarHBondContact O-CB 3.33Å; L344-M348 PolarHBondContact O-N 2.75Å; M345-M348 PolarHBondContact O-N 2.75Å; C346-M348 VanDerWaalsContact C-N 3.34Å; C346-M348 PolarHBondContact O-N 3.42Å; M348-D350 VanDerWaalsContact C-N 3.33Å; M348-Q351 PolarHBondContact O-N 2.93Å; M348-T352 WeakPolarHBondContact O-CB 3.33Å; M348-T352 PolarHBondContact O-N 3.01Å; M348-T352 PolarHBondContact O-OG1 3.44Å; M348-L405 HydrophobicContact CE-CD2 4.26Å; M348-L405 HydrophobicContact SD-CB 4.3Å; M348-L405 HydrophobicContact SD-CD1 4.42Å; M348-V406 HydrophobicContact CG-CG1 3.42Å; M348-V406 VanDerWaalsContact CG-CG1 3.42Å; M348-V406 HydrophobicContact SD-CG1 3.64Å; M348-T407 HydrophobicContact CG-CG2 4.46Å; M348-T407 HydrophobicContact SD-CG2 3.93Å
349	A	95.9	Very high	92.3	Very high	26 Å²	26	33.5 Å²	33.5	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-39.8	176.5	0	0	0	0	0	111.7	M345 C346 T352 L353 L532	M345-A349 WeakPolarHBondContact O-CB 3.47Å; M345-A349 PolarHBondContact O-N 3.31Å; C346-A349 PolarHBondContact O-N 2.76Å; A349-T352 PolarHBondContact O-N 2.87Å; A349-L353 WeakPolarHBondContact O-CB 3.48Å; A349-L353 PolarHBondContact O-N 2.96Å; A349-L532 HydrophobicContact CB-CD2 4.12Å
350	D	95.5	Very high	93.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.027	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-47.6	175.2	-174.2	67.4	0	0	0	112.3	C346 K347 M348 T352 L353 F354 N530 L531 L532	C346-D350 WeakPolarHBondContact O-CB 3.27Å; C346-D350 PolarHBondContact O-N 3.46Å; K347-D350 PolarHBondContact O-N 3.22Å; M348-D350 VanDerWaalsContact C-N 3.33Å; D350-T352 VanDerWaalsContact C-N 3.34Å; D350-T352 PolarHBondContact O-N 3.48Å; D350-L353 WeakPolarHBondContact O-CB 3.49Å; D350-L353 PolarHBondContact O-N 2.99Å; D350-F354 VanDerWaalsContact O-CD2 3.28Å; D350-F354 WeakPolarHBondContact O-CD2 3.45Å; D350-F354 PolarHBondContact O-N 2.77Å; D350-N530 WeakPolarHBondContact OD1-CB 3.27Å; D350-L531 WeakPolarHBondContact OD1-CA 3.25Å; D350-L531 WeakPolarHBondContact OD1-CB 3.29Å; D350-L531 PolarHBondContact OD1-N 3.01Å; D350-L532 HydrophobicContact CB-CB 4.13Å; D350-L532 PolarHBondContact OD1-N 3.48Å
351	Q	96.1	Very high	94	Very high	25 Å²	25	35.2 Å²	35.2	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-36.5	175.7	-66.5	-57.7	-64	0	0	112.8	I322 Y325 K347 M348 L353 F354 S355	I322-Q351 HydrophobicContact CG1-CB 3.91Å; I322-Q351 HydrophobicContact CG2-CB 4.4Å; Y325-Q351 HydrophobicContact CD1-CG 3.37Å; Y325-Q351 HydrophobicContact CD2-CG 4.49Å; Y325-Q351 HydrophobicContact CE1-CG 3.61Å; Y325-Q351 HydrophobicContact CG-CG 3.86Å; K347-Q351 WeakPolarHBondContact O-CG 3.22Å; K347-Q351 PolarHBondContact O-N 3.33Å; K347-Q351 VanDerWaalsContact O-N 3.08Å; M348-Q351 PolarHBondContact O-N 2.93Å; Q351-L353 VanDerWaalsContact C-N 3.27Å; Q351-L353 PolarHBondContact O-N 3.11Å; Q351-F354 PolarHBondContact O-N 3.42Å; Q351-S355 PolarHBondContact O-N 3.03Å; Q351-S355 VanDerWaalsContact O-N 3.16Å
352	T	97.1	Very high	94.6	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.104	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-39	173.7	-51.6	0	0	0	0	110.6	M348 A349 D350 S355 I356 L386	M348-T352 WeakPolarHBondContact O-CB 3.33Å; M348-T352 PolarHBondContact O-N 3.01Å; M348-T352 PolarHBondContact O-OG1 3.44Å; A349-T352 PolarHBondContact O-N 2.87Å; D350-T352 VanDerWaalsContact C-N 3.34Å; D350-T352 PolarHBondContact O-N 3.48Å; T352-S355 WeakPolarHBondContact O-CB 3.44Å; T352-S355 PolarHBondContact O-N 3.35Å; T352-S355 VanDerWaalsContact O-N 3.16Å; T352-I356 HydrophobicContact CG2-CD1 4.45Å; T352-I356 WeakPolarHBondContact O-CG1 3.47Å; T352-I356 PolarHBondContact O-N 2.84Å; T352-L386 HydrophobicContact CG2-CD2 3.68Å
353	L	97.1	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-38.8	177.1	-178.2	55.8	0	0	0	112.1	A349 D350 Q351 S355 I356 V357 W382 L386 L531 L532 M535	A349-L353 WeakPolarHBondContact O-CB 3.48Å; A349-L353 PolarHBondContact O-N 2.96Å; D350-L353 WeakPolarHBondContact O-CB 3.49Å; D350-L353 PolarHBondContact O-N 2.99Å; Q351-L353 VanDerWaalsContact C-N 3.27Å; Q351-L353 PolarHBondContact O-N 3.11Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.4Å; L353-I356 WeakPolarHBondContact O-CB 3.48Å; L353-I356 PolarHBondContact O-N 3.18Å; L353-I356 VanDerWaalsContact O-N 3.16Å; L353-V357 WeakPolarHBondContact O-CG2 3.48Å; L353-V357 PolarHBondContact O-N 3.43Å; L353-W382 HydrophobicContact CD1-CB 3.71Å; L353-W382 HydrophobicContact CD2-CE3 4.32Å; L353-L386 HydrophobicContact CB-CD2 4.47Å; L353-L531 HydrophobicContact CD2-CD2 4.22Å; L353-L531 HydrophobicContact CD2-CG 3.99Å; L353-L531 HydrophobicContact CG-CD2 3.94Å; L353-L531 HydrophobicContact CG-CG 4.27Å; L353-L532 HydrophobicContact CD2-CD1 4.37Å; L353-M535 HydrophobicContact CD2-CB 4.3Å; L353-M535 HydrophobicContact CD2-CG 4.02Å
354	F	96.7	Very high	95.1	Very high	84 Å²	84	36.2 Å²	36.2	37%	0.368	18%	0.18	S	C	.	.	H	α-helix	trans	-57.8	-44.6	169.6	-82.7	-71.7	0	0	0	112	D350 Q351 I356 V357 E358 L531	D350-F354 VanDerWaalsContact O-CD2 3.28Å; D350-F354 WeakPolarHBondContact O-CD2 3.45Å; D350-F354 PolarHBondContact O-N 2.77Å; Q351-F354 PolarHBondContact O-N 3.42Å; F354-I356 VanDerWaalsContact C-N 3.3Å; F354-I356 PolarHBondContact O-N 3.46Å; F354-V357 PolarHBondContact O-N 3.38Å; F354-E358 WeakPolarHBondContact O-CG 2.96Å; F354-E358 PolarHBondContact O-N 3.17Å; F354-L531 HydrophobicContact CD1-CD2 3.86Å; F354-L531 HydrophobicContact CD2-CD2 4.26Å; F354-L531 HydrophobicContact CE1-CB 4.46Å; F354-L531 HydrophobicContact CE1-CD2 3.78Å; F354-L531 HydrophobicContact CE2-CB 3.92Å; F354-L531 HydrophobicContact CE2-CD2 4.19Å; F354-L531 HydrophobicContact CG-CD2 4.1Å; F354-L531 HydrophobicContact CZ-CB 3.82Å; F354-L531 HydrophobicContact CZ-CD2 3.95Å; F354-L531 HydrophobicContact CZ-CG 4.5Å
355	S	97.3	Very high	95.5	Very high	12 Å²	12	35 Å²	35	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-35.2	175	-66.1	0	0	0	0	112.8	Q351 T352 L353 E358 W359	Q351-S355 PolarHBondContact O-N 3.03Å; Q351-S355 VanDerWaalsContact O-N 3.16Å; T352-S355 WeakPolarHBondContact O-CB 3.44Å; T352-S355 PolarHBondContact O-N 3.35Å; T352-S355 VanDerWaalsContact O-N 3.16Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.4Å; S355-E358 PolarHBondContact O-N 2.95Å; S355-W359 VanDerWaalsContact O-CB 3.3Å; S355-W359 WeakPolarHBondContact O-CB 3.25Å; S355-W359 PolarHBondContact O-N 2.75Å
356	I	98	Very high	95.9	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-41	173.3	-70.7	166.6	0	0	0	111.2	T352 L353 F354 W359 A360 L385 L386	T352-I356 HydrophobicContact CG2-CD1 4.45Å; T352-I356 WeakPolarHBondContact O-CG1 3.47Å; T352-I356 PolarHBondContact O-N 2.84Å; L353-I356 WeakPolarHBondContact O-CB 3.48Å; L353-I356 PolarHBondContact O-N 3.18Å; L353-I356 VanDerWaalsContact O-N 3.16Å; F354-I356 VanDerWaalsContact C-N 3.3Å; F354-I356 PolarHBondContact O-N 3.46Å; I356-W359 HydrophobicContact CG2-CE3 4.38Å; I356-W359 WeakPolarHBondContact O-CB 3.49Å; I356-W359 PolarHBondContact O-N 3.31Å; I356-A360 WeakPolarHBondContact O-CB 3.25Å; I356-A360 PolarHBondContact O-N 3.49Å; I356-L385 HydrophobicContact CD1-CB 4Å; I356-L385 HydrophobicContact CG2-CB 4.16Å; I356-L385 HydrophobicContact CG2-CD1 3.61Å; I356-L386 HydrophobicContact CD1-CD2 3.64Å; I356-L386 HydrophobicContact CD1-CG 3.91Å
357	V	97.3	Very high	96.1	Very high	35 Å²	35	39.4 Å²	39.4	21%	0.212	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-43.8	176.1	174.8	0	0	0	0	110.9	L353 F354 W359 A360 R361 L378 L531	L353-V357 WeakPolarHBondContact O-CG2 3.48Å; L353-V357 PolarHBondContact O-N 3.43Å; F354-V357 PolarHBondContact O-N 3.38Å; V357-W359 VanDerWaalsContact C-N 3.35Å; V357-A360 PolarHBondContact O-N 3.15Å; V357-R361 VanDerWaalsContact O-CG 3.27Å; V357-R361 WeakPolarHBondContact O-CG 3.46Å; V357-R361 PolarHBondContact O-N 3.4Å; V357-R361 VanDerWaalsContact O-N 3.09Å; V357-L378 HydrophobicContact CG1-CD1 4.44Å; V357-L378 HydrophobicContact CG2-CD1 4.35Å; V357-L531 HydrophobicContact CG2-CD2 4.34Å
358	E	96.6	Very high	96.3	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-45	174.2	-72.8	172.9	-179.6	0	0	111.2	K321 F354 S355 R361 S362	K321-E358 IonicContact NZ-OE1 3.67Å; K321-E358 PolarHBondContact NZ-OE1 3.05Å; K321-E358 IonicContact NZ-OE2 3Å; K321-E358 PolarHBondContact NZ-OE2 2.89Å; F354-E358 WeakPolarHBondContact O-CG 2.96Å; F354-E358 PolarHBondContact O-N 3.17Å; S355-E358 PolarHBondContact O-N 2.95Å; E358-R361 PolarHBondContact O-N 3.35Å; E358-S362 PolarHBondContact O-N 3.14Å; E358-S362 VanDerWaalsContact O-N 3.13Å
359	W	97.9	Very high	96.4	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-51	174.7	164.6	83.5	0	0	0	112	C311 E312 S355 I356 V357 R361 S362 L385 K452 F453 L456	C311-W359 VanDerWaalsContact O-CD1 3.23Å; E312-W359 PolarHBondContact OE1-NE1 3.45Å; S355-W359 VanDerWaalsContact O-CB 3.3Å; S355-W359 WeakPolarHBondContact O-CB 3.25Å; S355-W359 PolarHBondContact O-N 2.75Å; I356-W359 HydrophobicContact CG2-CE3 4.38Å; I356-W359 WeakPolarHBondContact O-CB 3.49Å; I356-W359 PolarHBondContact O-N 3.31Å; V357-W359 VanDerWaalsContact C-N 3.35Å; W359-R361 PolarHBondContact O-N 3.12Å; W359-S362 WeakPolarHBondContact O-CB 3.45Å; W359-S362 PolarHBondContact O-N 2.94Å; W359-S362 PolarHBondContact O-OG 2.99Å; W359-L385 HydrophobicContact CZ3-CD1 4.02Å; W359-L385 HydrophobicContact CZ3-CD2 4.43Å; W359-K452 HydrophobicContact CH2-CB 3.74Å; W359-K452 HydrophobicContact CZ2-CB 3.73Å; W359-K452 HydrophobicContact CZ2-CD 4.17Å; W359-F453 HydrophobicContact CH2-CD2 4.39Å; W359-F453 HydrophobicContact CH2-CE2 4.4Å; W359-F453 AromaticContact CZ2-CD2 3.84Å; W359-F453 HydrophobicContact CZ2-CD2 3.84Å; W359-F453 AromaticContact CZ2-CE2 3.59Å; W359-F453 HydrophobicContact CZ2-CE2 3.59Å; W359-F453 HydrophobicContact CZ2-CZ 4.2Å; W359-L456 HydrophobicContact CH2-CB 4.26Å; W359-L456 HydrophobicContact CH2-CD2 3.88Å; W359-L456 HydrophobicContact CZ3-CB 4.37Å; W359-L456 HydrophobicContact CZ3-CD2 3.75Å; W359-L456 HydrophobicContact CZ3-CG 4.5Å
360	A	98.2	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-41.5	-179.9	0	0	0	0	0	110.8	I356 V357 S362 S363 F366 L378 L456	I356-A360 WeakPolarHBondContact O-CB 3.25Å; I356-A360 PolarHBondContact O-N 3.49Å; V357-A360 PolarHBondContact O-N 3.15Å; A360-S362 PolarHBondContact O-N 3.48Å; A360-S363 VanDerWaalsContact O-CB 3.29Å; A360-S363 WeakPolarHBondContact O-CB 3.21Å; A360-S363 PolarHBondContact O-N 3.45Å; A360-F366 HydrophobicContact CB-CD1 4.19Å; A360-F366 HydrophobicContact CB-CD2 4.47Å; A360-F366 HydrophobicContact CB-CE1 4.13Å; A360-F366 HydrophobicContact CB-CE2 4.42Å; A360-F366 HydrophobicContact CB-CG 4.35Å; A360-F366 HydrophobicContact CB-CZ 4.24Å; A360-F366 WeakPolarHBondContact O-CB 3.45Å; A360-F366 WeakPolarHBondContact O-CD1 3.36Å; A360-F366 WeakPolarHBondContact O-CG 3.44Å; A360-L378 HydrophobicContact CB-CD2 3.96Å; A360-L456 HydrophobicContact CB-CD1 4.47Å; A360-L456 HydrophobicContact CB-CD2 4.06Å
361	R	96.7	Very high	96.5	Very high	145 Å²	145	52.6 Å²	52.6	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-68.2	-16.4	176.2	-68.2	173.6	66.3	80.8	2.5	114.2	V357 E358 W359 S363 F366 R367	V357-R361 VanDerWaalsContact O-CG 3.27Å; V357-R361 WeakPolarHBondContact O-CG 3.46Å; V357-R361 PolarHBondContact O-N 3.4Å; V357-R361 VanDerWaalsContact O-N 3.09Å; E358-R361 PolarHBondContact O-N 3.35Å; W359-R361 PolarHBondContact O-N 3.12Å; R361-S363 VanDerWaalsContact C-N 3.32Å; R361-F366 HydrophobicContact CG-CE1 4.39Å; R361-R367 PolarHBondContact O-NE 2.91Å; R361-R367 PolarHBondContact O-NH2 3.29Å
362	S	95.8	Very high	96.5	Very high	39 Å²	39	55.1 Å²	55.1	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-76.6	-22.3	174.3	78.5	0	0	0	0	112.7	C311 E358 W359 A360	C311-S362 WeakPolarHBondContact CA-OG 3.41Å; C311-S362 VanDerWaalsContact CB-OG 3.3Å; C311-S362 WeakPolarHBondContact CB-OG 3.47Å; C311-S362 PolarHBondContact O-OG 3.24Å; E358-S362 PolarHBondContact O-N 3.14Å; E358-S362 VanDerWaalsContact O-N 3.13Å; W359-S362 WeakPolarHBondContact O-CB 3.45Å; W359-S362 PolarHBondContact O-N 2.94Å; W359-S362 PolarHBondContact O-OG 2.99Å; A360-S362 PolarHBondContact O-N 3.48Å
363	S	94.9	Very high	96.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-66.9	138.1	-179.9	176.2	0	0	0	0	113.2	A360 R361 F365 F366 R367 F453	A360-S363 VanDerWaalsContact O-CB 3.29Å; A360-S363 WeakPolarHBondContact O-CB 3.21Å; A360-S363 PolarHBondContact O-N 3.45Å; R361-S363 VanDerWaalsContact C-N 3.32Å; S363-F365 PolarHBondContact OG-N 3.32Å; S363-F366 PolarHBondContact OG-N 3.01Å; S363-R367 WeakPolarHBondContact O-CD 3.45Å; S363-R367 VanDerWaalsContact O-CG 3.25Å; S363-R367 WeakPolarHBondContact O-CG 3.38Å; S363-R367 PolarHBondContact O-N 3.37Å; S363-F453 VanDerWaalsContact OG-CE1 3.27Å; S363-F453 WeakPolarHBondContact OG-CE1 3.39Å
364	I	91.2	Very high	96.5	Very high	88 Å²	88	55.4 Å²	55.4	45%	0.451	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-44.1	171.8	60.3	177.4	0	0	0	111.9	R367	I364-R367 PolarHBondContact O-N 3.5Å
365	F	96.1	Very high	96.4	Very high	16 Å²	16	56 Å²	56	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-40.4	-176.9	-56.2	-62.7	0	0	0	112.1	L304 L308 S363 R367 E368 F453 F457 V473	L304-F365 HydrophobicContact CD1-CE2 3.79Å; L304-F365 HydrophobicContact CD1-CZ 3.64Å; L308-F365 HydrophobicContact CD2-CD2 4.48Å; L308-F365 HydrophobicContact CD2-CE2 3.96Å; S363-F365 PolarHBondContact OG-N 3.32Å; F365-R367 VanDerWaalsContact C-N 3.3Å; F365-R367 PolarHBondContact O-N 3.46Å; F365-E368 PolarHBondContact O-N 3.32Å; F365-F453 HydrophobicContact CD2-CE1 4.16Å; F365-F457 HydrophobicContact CB-CE1 4.15Å; F365-F457 HydrophobicContact CB-CE2 4.31Å; F365-F457 HydrophobicContact CB-CZ 3.61Å; F365-V473 HydrophobicContact CB-CG2 3.78Å; F365-V473 HydrophobicContact CD1-CG2 3.6Å; F365-V473 HydrophobicContact CD2-CG1 4.23Å; F365-V473 HydrophobicContact CD2-CG2 4.3Å; F365-V473 HydrophobicContact CE1-CG2 4.23Å; F365-V473 HydrophobicContact CG-CG1 4.33Å; F365-V473 HydrophobicContact CG-CG2 3.63Å
366	F	97.4	Very high	96.4	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-68.8	-33	-177	-164.5	-100.2	0	0	0	111.7	A360 R361 S363 E368 L369 Q374 L377 L378 L456 F457	A360-F366 HydrophobicContact CB-CD1 4.19Å; A360-F366 HydrophobicContact CB-CD2 4.47Å; A360-F366 HydrophobicContact CB-CE1 4.13Å; A360-F366 HydrophobicContact CB-CE2 4.42Å; A360-F366 HydrophobicContact CB-CG 4.35Å; A360-F366 HydrophobicContact CB-CZ 4.24Å; A360-F366 WeakPolarHBondContact O-CB 3.45Å; A360-F366 WeakPolarHBondContact O-CD1 3.36Å; A360-F366 WeakPolarHBondContact O-CG 3.44Å; R361-F366 HydrophobicContact CG-CE1 4.39Å; S363-F366 PolarHBondContact OG-N 3.01Å; F366-E368 VanDerWaalsContact C-N 3.25Å; F366-E368 PolarHBondContact O-N 3.16Å; F366-L369 HydrophobicContact CD2-CD1 4.28Å; F366-L369 WeakPolarHBondContact O-CB 3.48Å; F366-L369 PolarHBondContact O-N 3.48Å; F366-Q374 HydrophobicContact CD1-CG 3.94Å; F366-Q374 HydrophobicContact CE1-CB 3.65Å; F366-Q374 HydrophobicContact CE1-CG 3.49Å; F366-Q374 VanDerWaalsContact CE1-CG 3.49Å; F366-Q374 HydrophobicContact CE2-CB 4.15Å; F366-Q374 HydrophobicContact CE2-CG 4.15Å; F366-Q374 HydrophobicContact CG-CG 4.45Å; F366-Q374 HydrophobicContact CZ-CB 3.4Å; F366-Q374 HydrophobicContact CZ-CG 3.61Å; F366-Q374 PolarHBondContact O-NE2 3.37Å; F366-L377 HydrophobicContact CE2-CB 4.43Å; F366-L377 HydrophobicContact CE2-CD1 4.36Å; F366-L378 HydrophobicContact CE1-CD1 4.24Å; F366-L378 HydrophobicContact CE2-CG 4.3Å; F366-L378 HydrophobicContact CZ-CD1 3.66Å; F366-L378 HydrophobicContact CZ-CD2 4.4Å; F366-L378 HydrophobicContact CZ-CG 3.77Å; F366-L456 HydrophobicContact CD2-CD1 4.28Å; F366-L456 HydrophobicContact CD2-CD2 3.94Å; F366-L456 HydrophobicContact CD2-CG 4.32Å; F366-L456 HydrophobicContact CE2-CD1 3.93Å; F366-L456 HydrophobicContact CE2-CD2 4.4Å; F366-L456 HydrophobicContact CE2-CG 4.44Å; F366-F457 HydrophobicContact CB-CZ 4.17Å; F366-F457 HydrophobicContact CD2-CZ 4.25Å
367	R	95.8	Very high	96.4	Very high	166 Å²	166	57.3 Å²	57.3	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-65.9	-25	176.7	-73.2	172.1	-178.4	-170.6	2.8	113.7	R361 S363 I364 F365 L369	R361-R367 PolarHBondContact O-NE 2.91Å; R361-R367 PolarHBondContact O-NH2 3.29Å; S363-R367 WeakPolarHBondContact O-CD 3.45Å; S363-R367 VanDerWaalsContact O-CG 3.25Å; S363-R367 WeakPolarHBondContact O-CG 3.38Å; S363-R367 PolarHBondContact O-N 3.37Å; I364-R367 PolarHBondContact O-N 3.5Å; F365-R367 VanDerWaalsContact C-N 3.3Å; F365-R367 PolarHBondContact O-N 3.46Å; R367-L369 VanDerWaalsContact C-N 3.3Å
368	E	96.1	Very high	96.4	Very high	123 Å²	123	56.5 Å²	56.5	58%	0.575	27%	0.265	S	S	*	.	H	α-helix	trans	-76.4	-20.2	177.7	-67.5	176.8	-144.8	0	0	112.8	F365 F366 L469	F365-E368 PolarHBondContact O-N 3.32Å; F366-E368 VanDerWaalsContact C-N 3.25Å; F366-E368 PolarHBondContact O-N 3.16Å; E368-L469 HydrophobicContact CB-CD2 3.73Å
369	L	96.6	Very high	96.3	Very high	7 Å²	7	54 Å²	54	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-75.6	147.7	176.8	-67	170	0	0	0	111.5	F366 R367 D373 Q374 L377 F457 N466 L469 V470	F366-L369 HydrophobicContact CD2-CD1 4.28Å; F366-L369 WeakPolarHBondContact O-CB 3.48Å; F366-L369 PolarHBondContact O-N 3.48Å; R367-L369 VanDerWaalsContact C-N 3.3Å; L369-D373 HydrophobicContact CB-CB 4.39Å; L369-D373 HydrophobicContact CD2-CB 4.27Å; L369-Q374 HydrophobicContact CB-CG 3.81Å; L369-Q374 PolarHBondContact O-NE2 3.45Å; L369-L377 HydrophobicContact CD1-CD1 3.37Å; L369-F457 HydrophobicContact CD1-CE1 3.89Å; L369-N466 HydrophobicContact CD2-CB 4.06Å; L369-L469 HydrophobicContact CD2-CD2 3.72Å; L369-L469 HydrophobicContact CD2-CG 4.43Å; L369-L469 HydrophobicContact CG-CD2 3.92Å; L369-V470 HydrophobicContact CD2-CG2 4.39Å
370	K	96.3	Very high	96.2	Very high	131 Å²	131	55.1 Å²	55.1	57%	0.57	26%	0.259	S	S	*	.			trans	-67	153.3	168	-66.8	-176.8	-173.9	173.5	0	110.3	D372 D373 Q374 E465	K370-D372 PolarHBondContact O-N 3.41Å; K370-D372 VanDerWaalsContact O-N 3.15Å; K370-D373 PolarHBondContact O-N 3.16Å; K370-Q374 WeakPolarHBondContact O-CG 3.32Å; K370-Q374 PolarHBondContact O-N 2.85Å; K370-E465 WeakPolarHBondContact CD-OE2 3.48Å; K370-E465 WeakPolarHBondContact CE-OE2 3.45Å; K370-E465 IonicContact NZ-OE2 2.63Å; K370-E465 PolarHBondContact NZ-OE2 2.79Å
371	V	96.5	Very high	96.2	Very high	97 Å²	97	55.1 Å²	55.1	59%	0.588	26%	0.259	S	S	*	.	H	α-helix	trans	-53.5	-38.5	-179.5	178.8	0	0	0	0	112.1	Q374 M375	V371-Q374 WeakPolarHBondContact O-CB 3.46Å; V371-Q374 PolarHBondContact O-N 3.44Å; V371-M375 HydrophobicContact CG1-CG 4.34Å; V371-M375 HydrophobicContact CG1-SD 4.21Å; V371-M375 WeakPolarHBondContact O-CB 3.37Å; V371-M375 VanDerWaalsContact O-CG 3.3Å; V371-M375 WeakPolarHBondContact O-CG 3.36Å; V371-M375 PolarHBondContact O-N 3.16Å
372	D	95.9	Very high	96.2	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-45.9	178.6	-169.9	51.8	0	0	0	112.3	K370 M375 K376	K370-D372 PolarHBondContact O-N 3.41Å; K370-D372 VanDerWaalsContact O-N 3.15Å; D372-M375 PolarHBondContact O-N 2.93Å; D372-K376 WeakPolarHBondContact O-CG 3.34Å; D372-K376 PolarHBondContact O-N 3.18Å; D372-K376 WeakPolarHBondContact OD2-CE 3.47Å; D372-K376 IonicContact OD2-NZ 3.18Å; D372-K376 PolarHBondContact OD2-NZ 2.88Å
373	D	97.3	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-38.8	175.1	-77.4	-5.9	0	0	0	111.9	L369 K370 M375 K376 L377 L464 E465 N466	L369-D373 HydrophobicContact CB-CB 4.39Å; L369-D373 HydrophobicContact CD2-CB 4.27Å; K370-D373 PolarHBondContact O-N 3.16Å; D373-M375 VanDerWaalsContact C-N 3.3Å; D373-M375 PolarHBondContact O-N 2.93Å; D373-K376 PolarHBondContact O-N 2.96Å; D373-K376 IonicContact OD1-NZ 2.74Å; D373-K376 PolarHBondContact OD1-NZ 3.4Å; D373-K376 VanDerWaalsContact OD1-NZ 3.17Å; D373-L377 WeakPolarHBondContact O-CG 3.41Å; D373-L377 PolarHBondContact O-N 3.16Å; D373-L464 HydrophobicContact CB-CD2 3.96Å; D373-L464 WeakPolarHBondContact OD1-CA 3.1Å; D373-E465 VanDerWaalsContact CG-N 3.33Å; D373-E465 PolarHBondContact OD1-N 2.95Å; D373-E465 WeakPolarHBondContact OD2-CA 3.36Å; D373-E465 WeakPolarHBondContact OD2-CB 3.34Å; D373-E465 PolarHBondContact OD2-N 3.35Å; D373-N466 PolarHBondContact OD2-N 2.88Å
374	Q	97.3	Very high	96.5	Very high	23 Å²	23	47.6 Å²	47.6	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-45.6	173	-70.8	178.2	-1.1	0	0	111.3	F366 L369 K370 V371 L378	F366-Q374 HydrophobicContact CD1-CG 3.94Å; F366-Q374 HydrophobicContact CE1-CB 3.65Å; F366-Q374 HydrophobicContact CE1-CG 3.49Å; F366-Q374 VanDerWaalsContact CE1-CG 3.49Å; F366-Q374 HydrophobicContact CE2-CB 4.15Å; F366-Q374 HydrophobicContact CE2-CG 4.15Å; F366-Q374 HydrophobicContact CG-CG 4.45Å; F366-Q374 HydrophobicContact CZ-CB 3.4Å; F366-Q374 HydrophobicContact CZ-CG 3.61Å; F366-Q374 PolarHBondContact O-NE2 3.37Å; L369-Q374 HydrophobicContact CB-CG 3.81Å; L369-Q374 PolarHBondContact O-NE2 3.45Å; K370-Q374 WeakPolarHBondContact O-CG 3.32Å; K370-Q374 PolarHBondContact O-N 2.85Å; V371-Q374 WeakPolarHBondContact O-CB 3.46Å; V371-Q374 PolarHBondContact O-N 3.44Å; Q374-L378 WeakPolarHBondContact O-CG 3.47Å; Q374-L378 PolarHBondContact O-N 2.96Å; Q374-L378 VanDerWaalsContact O-N 3.09Å
375	M	95.6	Very high	96.8	Very high	98 Å²	98	43.4 Å²	43.4	48%	0.483	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-47.4	177.6	-73.4	-177.3	72.7	0	0	111.4	V371 D372 D373 L377 L378 Q379	V371-M375 HydrophobicContact CG1-CG 4.34Å; V371-M375 HydrophobicContact CG1-SD 4.21Å; V371-M375 WeakPolarHBondContact O-CB 3.37Å; V371-M375 VanDerWaalsContact O-CG 3.3Å; V371-M375 WeakPolarHBondContact O-CG 3.36Å; V371-M375 PolarHBondContact O-N 3.16Å; D372-M375 PolarHBondContact O-N 2.93Å; D373-M375 VanDerWaalsContact C-N 3.3Å; D373-M375 PolarHBondContact O-N 2.93Å; M375-L377 VanDerWaalsContact C-N 3.35Å; M375-L377 PolarHBondContact O-N 3.37Å; M375-L378 PolarHBondContact O-N 3.07Å; M375-Q379 VanDerWaalsContact O-CB 3.26Å; M375-Q379 WeakPolarHBondContact O-CB 3.43Å; M375-Q379 WeakPolarHBondContact O-CG 3.49Å; M375-Q379 PolarHBondContact O-N 3.45Å
376	K	96.6	Very high	97	Very high	41 Å²	41	43.9 Å²	43.9	18%	0.178	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-44.6	178.3	-69.4	168.8	-162.1	154.2	0	112.3	D372 D373 N380 V461 N463 L464	D372-K376 WeakPolarHBondContact O-CG 3.34Å; D372-K376 PolarHBondContact O-N 3.18Å; D372-K376 WeakPolarHBondContact OD2-CE 3.47Å; D372-K376 IonicContact OD2-NZ 3.18Å; D372-K376 PolarHBondContact OD2-NZ 2.88Å; D373-K376 PolarHBondContact O-N 2.96Å; D373-K376 IonicContact OD1-NZ 2.74Å; D373-K376 PolarHBondContact OD1-NZ 3.4Å; D373-K376 VanDerWaalsContact OD1-NZ 3.17Å; K376-N380 WeakPolarHBondContact O-CB 3.39Å; K376-N380 PolarHBondContact O-N 3.19Å; K376-V461 HydrophobicContact CB-CG1 3.91Å; K376-N463 PolarHBondContact NZ-O 3.38Å; K376-L464 HydrophobicContact CB-CD2 4.25Å; K376-L464 HydrophobicContact CD-CD2 4.26Å
377	L	97.5	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-49.1	178.5	-70.6	178.7	0	0	0	111.2	F366 L369 D373 M375 N380 C381 F457 V461 L464 V470	F366-L377 HydrophobicContact CE2-CB 4.43Å; F366-L377 HydrophobicContact CE2-CD1 4.36Å; L369-L377 HydrophobicContact CD1-CD1 3.37Å; D373-L377 WeakPolarHBondContact O-CG 3.41Å; D373-L377 PolarHBondContact O-N 3.16Å; M375-L377 VanDerWaalsContact C-N 3.35Å; M375-L377 PolarHBondContact O-N 3.37Å; L377-N380 WeakPolarHBondContact O-CB 3.41Å; L377-N380 PolarHBondContact O-N 3.33Å; L377-C381 PolarHBondContact O-N 2.77Å; L377-C381 VanDerWaalsContact O-N 3.11Å; L377-C381 PolarHBondContact O-SG 3.27Å; L377-F457 HydrophobicContact CD1-CD1 4.26Å; L377-F457 HydrophobicContact CD1-CE1 4.41Å; L377-V461 HydrophobicContact CD2-CB 4.21Å; L377-V461 HydrophobicContact CD2-CG1 4.42Å; L377-V461 HydrophobicContact CD2-CG2 3.93Å; L377-L464 HydrophobicContact CD2-CD1 4.13Å; L377-L464 HydrophobicContact CD2-CD2 4.13Å; L377-L464 HydrophobicContact CG-CD2 4.19Å; L377-V470 HydrophobicContact CD1-CG2 4.28Å
378	L	97.6	Very high	97.1	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-44	178.9	-73.5	170.6	0	0	0	112.2	V357 A360 F366 Q374 M375 N380 C381 W382 L456 M535	V357-L378 HydrophobicContact CG1-CD1 4.44Å; V357-L378 HydrophobicContact CG2-CD1 4.35Å; A360-L378 HydrophobicContact CB-CD2 3.96Å; F366-L378 HydrophobicContact CE1-CD1 4.24Å; F366-L378 HydrophobicContact CE2-CG 4.3Å; F366-L378 HydrophobicContact CZ-CD1 3.66Å; F366-L378 HydrophobicContact CZ-CD2 4.4Å; F366-L378 HydrophobicContact CZ-CG 3.77Å; Q374-L378 WeakPolarHBondContact O-CG 3.47Å; Q374-L378 PolarHBondContact O-N 2.96Å; Q374-L378 VanDerWaalsContact O-N 3.09Å; M375-L378 PolarHBondContact O-N 3.07Å; L378-N380 PolarHBondContact O-N 3.09Å; L378-C381 PolarHBondContact O-N 3.29Å; L378-W382 WeakPolarHBondContact O-CB 3.35Å; L378-W382 PolarHBondContact O-N 3.42Å; L378-L456 HydrophobicContact CD2-CD1 3.97Å; L378-M535 VanDerWaalsContact C-CE 3.48Å; L378-M535 HydrophobicContact CB-CE 4.04Å; L378-M535 WeakPolarHBondContact O-CE 3.37Å
379	Q	95.9	Very high	97.3	Very high	53 Å²	53	32.7 Å²	32.7	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-32	176.6	-73.6	170.6	-2.6	0	0	111.9	M375 M535 A538 K539	M375-Q379 VanDerWaalsContact O-CB 3.26Å; M375-Q379 WeakPolarHBondContact O-CB 3.43Å; M375-Q379 WeakPolarHBondContact O-CG 3.49Å; M375-Q379 PolarHBondContact O-N 3.45Å; Q379-M535 HydrophobicContact CG-CE 4.21Å; Q379-M535 HydrophobicContact CG-SD 4Å; Q379-A538 HydrophobicContact CB-CB 4.49Å; Q379-A538 HydrophobicContact CG-CB 3.83Å; Q379-K539 WeakPolarHBondContact O-CD 3.46Å; Q379-K539 WeakPolarHBondContact O-CG 3.03Å
380	N	95.5	Very high	97.3	Very high	31 Å²	31	35 Å²	35	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-72.5	-42.9	175.6	-178.5	72.9	0	0	0	112.6	K376 L377 L378 V461 K539	K376-N380 WeakPolarHBondContact O-CB 3.39Å; K376-N380 PolarHBondContact O-N 3.19Å; L377-N380 WeakPolarHBondContact O-CB 3.41Å; L377-N380 PolarHBondContact O-N 3.33Å; L378-N380 PolarHBondContact O-N 3.09Å; N380-V461 HydrophobicContact CB-CG2 3.62Å; N380-V461 VanDerWaalsContact CG-CG2 3.48Å; N380-V461 WeakPolarHBondContact ND2-CG2 3.15Å; N380-K539 WeakPolarHBondContact O-CE 3.4Å; N380-K539 PolarHBondContact O-NZ 2.91Å
381	C	97.2	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-109.4	-5.2	-164.7	70.9	0	0	0	0	116.5	L377 L378 S383 E384 L385 V455	L377-C381 PolarHBondContact O-N 2.77Å; L377-C381 VanDerWaalsContact O-N 3.11Å; L377-C381 PolarHBondContact O-SG 3.27Å; L378-C381 PolarHBondContact O-N 3.29Å; C381-S383 VanDerWaalsContact C-N 3.27Å; C381-S383 PolarHBondContact O-N 3.36Å; C381-S383 VanDerWaalsContact O-N 3.11Å; C381-E384 WeakPolarHBondContact O-CB 3.43Å; C381-E384 PolarHBondContact O-N 2.86Å; C381-L385 PolarHBondContact O-N 3.47Å; C381-V455 HydrophobicContact CB-CG1 3.8Å; C381-V455 WeakPolarHBondContact CB-O 3.39Å
382	W	97.8	Very high	97.5	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.027	13%	0.126	C	C	.	.	H	α-helix	trans	-50.9	-42.6	-171.8	66.1	-91.2	0	0	0	114.6	L353 L378 L385 L386 E514 L517 L532 M535 L536	L353-W382 HydrophobicContact CD1-CB 3.71Å; L353-W382 HydrophobicContact CD2-CE3 4.32Å; L378-W382 WeakPolarHBondContact O-CB 3.35Å; L378-W382 PolarHBondContact O-N 3.42Å; W382-L385 PolarHBondContact O-N 2.83Å; W382-L386 HydrophobicContact CE3-CD1 3.72Å; W382-L386 HydrophobicContact CZ3-CD1 3.84Å; W382-L386 WeakPolarHBondContact O-CG 3.27Å; W382-L386 PolarHBondContact O-N 2.85Å; W382-E514 HydrophobicContact CH2-CG 4.14Å; W382-E514 HydrophobicContact CZ2-CG 4.02Å; W382-L517 HydrophobicContact CH2-CD2 4.2Å; W382-L532 HydrophobicContact CE3-CD1 4.14Å; W382-L532 HydrophobicContact CH2-CD1 4.03Å; W382-L532 HydrophobicContact CZ3-CD1 3.44Å; W382-L532 VanDerWaalsContact CZ3-CD1 3.44Å; W382-M535 HydrophobicContact CB-CE 3.7Å; W382-M535 HydrophobicContact CD2-CB 4.04Å; W382-M535 HydrophobicContact CG-CB 4.02Å; W382-M535 HydrophobicContact CG-CE 3.89Å; W382-M535 PolarHBondContact NE1-O 3.24Å; W382-L536 HydrophobicContact CH2-CD1 4.37Å; W382-L536 HydrophobicContact CZ2-CB 4.24Å; W382-L536 HydrophobicContact CZ2-CD1 4.12Å
383	S	97.9	Very high	97.6	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-73.1	-37	-179.2	57.4	0	0	0	0	111.8	C381 L385 L386 I387 E514 K539	C381-S383 VanDerWaalsContact C-N 3.27Å; C381-S383 PolarHBondContact O-N 3.36Å; C381-S383 VanDerWaalsContact O-N 3.11Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L386 PolarHBondContact O-N 3.49Å; S383-I387 WeakPolarHBondContact O-CB 3.42Å; S383-I387 VanDerWaalsContact O-CG1 3.25Å; S383-I387 WeakPolarHBondContact O-CG1 3.4Å; S383-I387 PolarHBondContact O-N 2.92Å; S383-E514 VanDerWaalsContact CB-OE1 3.28Å; S383-E514 WeakPolarHBondContact CB-OE1 3.34Å; S383-E514 PolarHBondContact OG-OE1 2.98Å; S383-K539 PolarHBondContact OG-NZ 2.81Å
384	E	98.4	Very high	97.6	Very high	15 Å²	15	23.6 Å²	23.6	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-40.7	174.6	-69.1	178.6	-125.1	0	0	110.5	C381 I387 L388 V455 I506 R507 S510	C381-E384 WeakPolarHBondContact O-CB 3.43Å; C381-E384 PolarHBondContact O-N 2.86Å; E384-I387 PolarHBondContact O-N 3.33Å; E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 PolarHBondContact O-N 3.42Å; E384-V455 HydrophobicContact CB-CG1 3.63Å; E384-I506 HydrophobicContact CB-CG2 4.4Å; E384-R507 HydrophobicContact CG-CB 4.46Å; E384-R507 IonicContact OE1-NE 3.98Å; E384-S510 WeakPolarHBondContact CG-OG 3.41Å
385	L	98.6	Very high	97.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-43.6	175.3	-69	175.4	0	0	0	112.3	I356 W359 C381 W382 S383 I387 L388 D389 K452 V455	I356-L385 HydrophobicContact CD1-CB 4Å; I356-L385 HydrophobicContact CG2-CB 4.16Å; I356-L385 HydrophobicContact CG2-CD1 3.61Å; W359-L385 HydrophobicContact CZ3-CD1 4.02Å; W359-L385 HydrophobicContact CZ3-CD2 4.43Å; C381-L385 PolarHBondContact O-N 3.47Å; W382-L385 PolarHBondContact O-N 2.83Å; S383-L385 VanDerWaalsContact C-N 3.33Å; L385-I387 VanDerWaalsContact C-N 3.31Å; L385-I387 PolarHBondContact O-N 3.31Å; L385-L388 PolarHBondContact O-N 2.95Å; L385-D389 WeakPolarHBondContact O-CB 3.48Å; L385-D389 PolarHBondContact O-N 3.49Å; L385-K452 HydrophobicContact CD2-CB 4.25Å; L385-K452 HydrophobicContact CD2-CG 4.41Å; L385-V455 HydrophobicContact CD2-CB 3.99Å; L385-V455 HydrophobicContact CD2-CG1 3.65Å; L385-V455 HydrophobicContact CG-CG1 3.82Å
386	L	98.5	Very high	97.7	Very high	26 Å²	26	22 Å²	22	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-58.3	-43.7	174.6	-77.1	173.7	0	0	0	112	T352 L353 I356 W382 S383 H390 L532	T352-L386 HydrophobicContact CG2-CD2 3.68Å; L353-L386 HydrophobicContact CB-CD2 4.47Å; I356-L386 HydrophobicContact CD1-CD2 3.64Å; I356-L386 HydrophobicContact CD1-CG 3.91Å; W382-L386 HydrophobicContact CE3-CD1 3.72Å; W382-L386 HydrophobicContact CZ3-CD1 3.84Å; W382-L386 WeakPolarHBondContact O-CG 3.27Å; W382-L386 PolarHBondContact O-N 2.85Å; S383-L386 PolarHBondContact O-N 3.49Å; L386-H390 WeakPolarHBondContact O-CB 3.47Å; L386-H390 PolarHBondContact O-N 2.98Å; L386-L532 HydrophobicContact CD1-CD1 4.3Å
387	I	98.5	Very high	97.7	Very high	32 Å²	32	23.7 Å²	23.7	16%	0.164	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-42.3	179.1	-67.3	-61.5	0	0	0	111	S383 E384 L385 H390 I391 I506 I509 A513	S383-I387 WeakPolarHBondContact O-CB 3.42Å; S383-I387 VanDerWaalsContact O-CG1 3.25Å; S383-I387 WeakPolarHBondContact O-CG1 3.4Å; S383-I387 PolarHBondContact O-N 2.92Å; E384-I387 PolarHBondContact O-N 3.33Å; L385-I387 VanDerWaalsContact C-N 3.31Å; L385-I387 PolarHBondContact O-N 3.31Å; I387-H390 PolarHBondContact O-N 3.5Å; I387-I391 HydrophobicContact CG2-CD1 3.51Å; I387-I391 HydrophobicContact CG2-CG1 4.28Å; I387-I391 WeakPolarHBondContact O-CB 3.41Å; I387-I391 WeakPolarHBondContact O-CD1 3.22Å; I387-I391 WeakPolarHBondContact O-CG1 3.25Å; I387-I391 PolarHBondContact O-N 3.17Å; I387-I506 HydrophobicContact CG2-CG2 4.2Å; I387-I509 HydrophobicContact CD1-CG2 4.23Å; I387-I509 HydrophobicContact CG1-CG2 4.5Å; I387-I509 HydrophobicContact CG2-CB 4.23Å; I387-I509 HydrophobicContact CG2-CG2 3.86Å; I387-A513 HydrophobicContact CD1-CB 4.28Å
388	L	98.8	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-47.2	177	175.4	54.8	0	0	0	111.7	E384 L385 H390 I391 Y392 F448 L451 K452 V455 I506	E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 PolarHBondContact O-N 3.42Å; L385-L388 PolarHBondContact O-N 2.95Å; L388-H390 VanDerWaalsContact C-N 3.3Å; L388-H390 PolarHBondContact O-N 3.26Å; L388-I391 PolarHBondContact O-N 2.92Å; L388-Y392 WeakPolarHBondContact O-CB 3.45Å; L388-Y392 PolarHBondContact O-N 3.43Å; L388-F448 HydrophobicContact CD1-CD2 4.09Å; L388-F448 HydrophobicContact CD1-CE2 4.18Å; L388-F448 HydrophobicContact CG-CD2 4.21Å; L388-F448 HydrophobicContact CG-CE2 3.91Å; L388-L451 HydrophobicContact CD2-CB 4.14Å; L388-K452 HydrophobicContact CD2-CB 4.46Å; L388-K452 HydrophobicContact CD2-CG 3.84Å; L388-K452 HydrophobicContact CG-CG 4.44Å; L388-V455 HydrophobicContact CD2-CG2 4.16Å; L388-I506 HydrophobicContact CB-CG2 4.37Å; L388-I506 HydrophobicContact CD1-CD1 3.82Å
389	D	98.3	Very high	97.3	Very high	23 Å²	23	29.7 Å²	29.7	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-42.8	175.3	-81.9	1	0	0	0	111.1	L385 R393 F448 K452	L385-D389 WeakPolarHBondContact O-CB 3.48Å; L385-D389 PolarHBondContact O-N 3.49Å; D389-R393 VanDerWaalsContact O-CB 3.28Å; D389-R393 WeakPolarHBondContact O-CB 2.94Å; D389-R393 PolarHBondContact O-N 3.04Å; D389-F448 VanDerWaalsContact OD1-CZ 3.23Å; D389-F448 WeakPolarHBondContact OD1-CZ 3.44Å; D389-K452 WeakPolarHBondContact OD1-CE 3.39Å; D389-K452 IonicContact OD1-NZ 3Å
390	H	97.8	Very high	96.9	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.255	18%	0.179	S	C	.	.	H	α-helix	trans	-63.5	-45.8	177	179.7	70.4	0	0	0	112.4	L386 I387 L388 R393 Q394	L386-H390 WeakPolarHBondContact O-CB 3.47Å; L386-H390 PolarHBondContact O-N 2.98Å; I387-H390 PolarHBondContact O-N 3.5Å; L388-H390 VanDerWaalsContact C-N 3.3Å; L388-H390 PolarHBondContact O-N 3.26Å; H390-R393 WeakPolarHBondContact O-CB 3.47Å; H390-R393 PolarHBondContact O-N 3.39Å; H390-Q394 PolarHBondContact CE1-NE2 2.86Å; H390-Q394 WeakPolarHBondContact O-CG 3.08Å; H390-Q394 PolarHBondContact O-N 3.1Å; H390-Q394 PolarHBondContact O-NE2 3.45Å
391	I	98.6	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-49.2	179.1	-73.6	162.2	0	0	0	110.3	I387 L388 R393 Q394 V395 L434 V435 L438 I506	I387-I391 HydrophobicContact CG2-CD1 3.51Å; I387-I391 HydrophobicContact CG2-CG1 4.28Å; I387-I391 WeakPolarHBondContact O-CB 3.41Å; I387-I391 WeakPolarHBondContact O-CD1 3.22Å; I387-I391 WeakPolarHBondContact O-CG1 3.25Å; I387-I391 PolarHBondContact O-N 3.17Å; L388-I391 PolarHBondContact O-N 2.92Å; I391-R393 VanDerWaalsContact C-N 3.31Å; I391-R393 PolarHBondContact O-N 3.44Å; I391-Q394 CarbonylContact O-C 3.53Å; I391-Q394 WeakPolarHBondContact O-CA 3.44Å; I391-Q394 WeakPolarHBondContact O-CB 3.39Å; I391-Q394 PolarHBondContact O-N 3.5Å; I391-V395 HydrophobicContact CG2-CG2 4.42Å; I391-V395 WeakPolarHBondContact O-CG2 3.44Å; I391-V395 PolarHBondContact O-N 2.72Å; I391-L434 HydrophobicContact CD1-CD2 3.49Å; I391-L434 VanDerWaalsContact CD1-CD2 3.49Å; I391-L434 HydrophobicContact CD1-CG 4.24Å; I391-L434 HydrophobicContact CG2-CG 4.46Å; I391-V435 HydrophobicContact CB-CG2 4.46Å; I391-V435 HydrophobicContact CG2-CG2 3.96Å; I391-L438 HydrophobicContact CG2-CD1 3.31Å; I391-I506 HydrophobicContact CD1-CG1 4.08Å
392	Y	98.5	Very high	96.5	Very high	36 Å²	36	36.9 Å²	36.9	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-43.1	179.2	177	-106.9	0	0	0	111.4	L388 Q394 V395 V396 F443 Q445 F448	L388-Y392 WeakPolarHBondContact O-CB 3.45Å; L388-Y392 PolarHBondContact O-N 3.43Å; Y392-Q394 VanDerWaalsContact C-N 3.28Å; Y392-Q394 PolarHBondContact O-N 3.07Å; Y392-V395 WeakPolarHBondContact O-CA 3.39Å; Y392-V395 WeakPolarHBondContact O-CB 3.42Å; Y392-V395 PolarHBondContact O-N 2.97Å; Y392-V396 HydrophobicContact CD1-CG2 4.37Å; Y392-V396 HydrophobicContact CD2-CG2 4.2Å; Y392-V396 HydrophobicContact CE1-CG2 3.88Å; Y392-V396 HydrophobicContact CE2-CG2 3.71Å; Y392-V396 WeakPolarHBondContact O-CG2 3.31Å; Y392-V396 PolarHBondContact O-N 3.1Å; Y392-F443 AromaticContact CD2-CD1 3.9Å; Y392-F443 HydrophobicContact CD2-CD1 3.9Å; Y392-F443 AromaticContact CD2-CE1 3.74Å; Y392-F443 HydrophobicContact CD2-CE1 3.74Å; Y392-Q445 VanDerWaalsContact OH-CA 3.24Å; Y392-Q445 WeakPolarHBondContact OH-CA 3.42Å; Y392-Q445 VanDerWaalsContact OH-CB 3.23Å; Y392-Q445 WeakPolarHBondContact OH-CB 3.27Å; Y392-Q445 PolarHBondContact OH-N 3.25Å; Y392-F448 AromaticContact CD1-CD1 3.65Å; Y392-F448 HydrophobicContact CD1-CD1 3.65Å; Y392-F448 AromaticContact CD1-CD2 3.89Å; Y392-F448 HydrophobicContact CD1-CD2 3.89Å; Y392-F448 AromaticContact CD1-CE1 3.56Å; Y392-F448 HydrophobicContact CD1-CE1 3.56Å; Y392-F448 AromaticContact CD1-CE2 3.8Å; Y392-F448 HydrophobicContact CD1-CE2 3.8Å; Y392-F448 AromaticContact CD1-CG 3.78Å; Y392-F448 HydrophobicContact CD1-CG 3.78Å; Y392-F448 AromaticContact CD1-CZ 3.59Å; Y392-F448 HydrophobicContact CD1-CZ 3.59Å; Y392-F448 HydrophobicContact CD2-CB 3.63Å; Y392-F448 HydrophobicContact CD2-CD1 4.26Å; Y392-F448 AromaticContact CD2-CD2 3.72Å; Y392-F448 HydrophobicContact CD2-CD2 3.72Å; Y392-F448 HydrophobicContact CD2-CE2 4.36Å; Y392-F448 AromaticContact CD2-CG 3.61Å; Y392-F448 HydrophobicContact CD2-CG 3.61Å; Y392-F448 AromaticContact CE1-CD1 3.73Å; Y392-F448 HydrophobicContact CE1-CD1 3.73Å; Y392-F448 AromaticContact CE1-CE1 3.89Å; Y392-F448 HydrophobicContact CE1-CE1 3.89Å; Y392-F448 HydrophobicContact CE1-CG 4.09Å; Y392-F448 HydrophobicContact CE1-CZ 4.38Å; Y392-F448 HydrophobicContact CE2-CB 3.65Å; Y392-F448 HydrophobicContact CE2-CD1 4.31Å; Y392-F448 HydrophobicContact CE2-CD2 4.48Å; Y392-F448 AromaticContact CE2-CG 3.93Å; Y392-F448 HydrophobicContact CE2-CG 3.93Å; Y392-F448 HydrophobicContact CG-CB 4.1Å; Y392-F448 AromaticContact CG-CD1 3.94Å; Y392-F448 HydrophobicContact CG-CD1 3.94Å; Y392-F448 AromaticContact CG-CD2 3.36Å; Y392-F448 HydrophobicContact CG-CD2 3.36Å; Y392-F448 HydrophobicContact CG-CE1 4.1Å; Y392-F448 AromaticContact CG-CE2 3.55Å; Y392-F448 HydrophobicContact CG-CE2 3.55Å; Y392-F448 AromaticContact CG-CG 3.53Å; Y392-F448 HydrophobicContact CG-CG 3.53Å; Y392-F448 AromaticContact CG-CZ 3.88Å; Y392-F448 HydrophobicContact CG-CZ 3.88Å
393	R	97.8	Very high	96.3	Very high	30 Å²	30	37 Å²	37	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-56.4	-41.4	172.7	-178.3	-177.6	-52.4	-67.4	-16.8	112.4	E315 D389 H390 I391 H397 F404	E315-R393 IonicContact OE1-CZ 2.81Å; E315-R393 IonicContact OE1-NH1 3.68Å; E315-R393 PolarHBondContact OE1-NH1 3.33Å; E315-R393 IonicContact OE1-NH2 3.6Å; D389-R393 VanDerWaalsContact O-CB 3.28Å; D389-R393 WeakPolarHBondContact O-CB 2.94Å; D389-R393 PolarHBondContact O-N 3.04Å; H390-R393 WeakPolarHBondContact O-CB 3.47Å; H390-R393 PolarHBondContact O-N 3.39Å; I391-R393 VanDerWaalsContact C-N 3.31Å; I391-R393 PolarHBondContact O-N 3.44Å; R393-H397 WeakPolarHBondContact O-CB 3.49Å; R393-H397 PolarHBondContact O-N 3.13Å; R393-F404 VanDerWaalsContact CD-O 3.27Å; R393-F404 WeakPolarHBondContact CD-O 3.49Å; R393-F404 HydrophobicContact CG-CD1 3.82Å
394	Q	97.9	Very high	96.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-41	174	-62.4	-32.9	-71.2	0	0	111.6	H390 I391 Y392 V396 G398 F404 V435 R439	H390-Q394 PolarHBondContact CE1-NE2 2.86Å; H390-Q394 WeakPolarHBondContact O-CG 3.08Å; H390-Q394 PolarHBondContact O-N 3.1Å; H390-Q394 PolarHBondContact O-NE2 3.45Å; I391-Q394 CarbonylContact O-C 3.53Å; I391-Q394 WeakPolarHBondContact O-CA 3.44Å; I391-Q394 WeakPolarHBondContact O-CB 3.39Å; I391-Q394 PolarHBondContact O-N 3.5Å; Y392-Q394 VanDerWaalsContact C-N 3.28Å; Y392-Q394 PolarHBondContact O-N 3.07Å; Q394-V396 VanDerWaalsContact C-N 3.29Å; Q394-V396 PolarHBondContact O-N 3.31Å; Q394-G398 VanDerWaalsContact O-CA 3.25Å; Q394-G398 WeakPolarHBondContact O-CA 3.37Å; Q394-G398 PolarHBondContact O-N 3.42Å; Q394-F404 PolarHBondContact NE2-O 3.01Å; Q394-V435 HydrophobicContact CB-CB 4.43Å; Q394-V435 HydrophobicContact CB-CG1 3.94Å; Q394-V435 HydrophobicContact CB-CG2 3.58Å; Q394-V435 HydrophobicContact CG-CG2 4.24Å; Q394-R439 PolarHBondContact O-NH2 2.88Å
395	V	98.1	Very high	96.1	Very high	18 Å²	18	39.4 Å²	39.4	11%	0.109	20%	0.202	C	C	.	.	H	α-helix	trans	-55.1	-47.3	177	170.2	0	0	0	0	110.5	I391 Y392 V435 L438 R439	I391-V395 HydrophobicContact CG2-CG2 4.42Å; I391-V395 WeakPolarHBondContact O-CG2 3.44Å; I391-V395 PolarHBondContact O-N 2.72Å; Y392-V395 WeakPolarHBondContact O-CA 3.39Å; Y392-V395 WeakPolarHBondContact O-CB 3.42Å; Y392-V395 PolarHBondContact O-N 2.97Å; V395-V435 HydrophobicContact CG2-CB 4.46Å; V395-V435 HydrophobicContact CG2-CG1 4.04Å; V395-L438 HydrophobicContact CG2-CB 3.69Å; V395-L438 HydrophobicContact CG2-CD1 4.22Å; V395-R439 HydrophobicContact CB-CG 4.4Å; V395-R439 HydrophobicContact CG1-CG 3.95Å; V395-R439 HydrophobicContact CG2-CG 4.41Å; V395-R439 PolarHBondContact O-NE 3.3Å
396	V	96.6	Very high	95.9	Very high	70 Å²	70	40 Å²	40	42%	0.424	21%	0.206	S	C	.	.	H	α-helix	trans	-78.9	-45.1	-175.8	-175.7	0	0	0	0	113.2	Y392 Q394	Y392-V396 HydrophobicContact CD1-CG2 4.37Å; Y392-V396 HydrophobicContact CD2-CG2 4.2Å; Y392-V396 HydrophobicContact CE1-CG2 3.88Å; Y392-V396 HydrophobicContact CE2-CG2 3.71Å; Y392-V396 WeakPolarHBondContact O-CG2 3.31Å; Y392-V396 PolarHBondContact O-N 3.1Å; Q394-V396 VanDerWaalsContact C-N 3.29Å; Q394-V396 PolarHBondContact O-N 3.31Å
397	H	95.8	Very high	95.8	Very high	76 Å²	76	38.8 Å²	38.8	35%	0.352	20%	0.2	S	C	.	.	H	α-helix	trans	-118	-12.2	-168	-57.8	-62	0	0	0	114.9	R393 F404	R393-H397 WeakPolarHBondContact O-CB 3.49Å; R393-H397 PolarHBondContact O-N 3.13Å; H397-F404 HydrophobicContact CB-CB 4.35Å; H397-F404 HydrophobicContact CB-CD1 3.57Å; H397-F404 HydrophobicContact CB-CD2 4.4Å; H397-F404 HydrophobicContact CB-CE1 3.87Å; H397-F404 HydrophobicContact CB-CG 3.85Å; H397-F404 HydrophobicContact CB-CZ 4.4Å
398	G	93	Very high	95.5	Very high	15 Å²	15	38.3 Å²	38.3	16%	0.155	20%	0.203	C	C	.	.			trans	-65	142.4	-175	0	0	0	0	0	112.3	Q394 R439	Q394-G398 VanDerWaalsContact O-CA 3.25Å; Q394-G398 WeakPolarHBondContact O-CA 3.37Å; Q394-G398 PolarHBondContact O-N 3.42Å; G398-R439 VanDerWaalsContact C-NH2 3.34Å; G398-R439 PolarHBondContact O-NH2 3Å
399	K	93.1	Very high	95.2	Very high	129 Å²	129	43.6 Å²	43.6	56%	0.561	23%	0.227	S	C	*	.			trans	-113.8	154.3	172.4	-54.9	-177.2	-164.5	153.4	0	110.2	G401 S402 Q410	K399-G401 PolarHBondContact O-N 3.44Å; K399-S402 PolarHBondContact O-N 2.79Å; K399-S402 VanDerWaalsContact O-O 3.05Å; K399-S402 PolarHBondContact O-OG 3.17Å; K399-S402 VanDerWaalsContact O-OG 3.1Å; K399-Q410 VanDerWaalsContact CD-NE2 3.27Å; K399-Q410 VanDerWaalsContact CG-NE2 3.25Å
400	E	88.9	Confident	95	Very high	195 Å²	195	46 Å²	46	91%	0.911	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	137	173.7	-168	172	-170.2	0	0	110.7	S402	E400-S402 VanDerWaalsContact C-N 3.3Å; E400-S402 PolarHBondContact O-N 2.97Å
401	G	90.1	Very high	94.7	Very high	38 Å²	38	45 Å²	45	39%	0.392	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-1.1	-180	0	0	0	0	0	116.2	K399 Y413	K399-G401 PolarHBondContact O-N 3.44Å; G401-Y413 VanDerWaalsContact CA-CD2 3.49Å; G401-Y413 WeakPolarHBondContact O-CD2 3.45Å; G401-Y413 PolarHBondContact O-N 3.38Å
402	S	94	Very high	94.4	Very high	3 Å²	3	49 Å²	49	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.2	-173.1	67.9	0	0	0	0	114.8	K399 E400 Q410 V411 Y413	K399-S402 PolarHBondContact O-N 2.79Å; K399-S402 VanDerWaalsContact O-O 3.05Å; K399-S402 PolarHBondContact O-OG 3.17Å; K399-S402 VanDerWaalsContact O-OG 3.1Å; E400-S402 VanDerWaalsContact C-N 3.3Å; E400-S402 PolarHBondContact O-N 2.97Å; S402-Q410 PolarHBondContact OG-NE2 3.44Å; S402-V411 CarbonylContact C-O 3.47Å; S402-V411 VanDerWaalsContact CA-O 3.32Å; S402-V411 WeakPolarHBondContact CA-O 3.42Å; S402-Y413 PolarHBondContact O-OH 3.39Å; S402-Y413 VanDerWaalsContact O-OH 3.1Å
403	I	93.9	Very high	93.9	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.5	174.1	-57	-172.9	0	0	0	110	L405 Q410 V411 Y413 I416 M428	I403-L405 HydrophobicContact CG2-CD2 3.96Å; I403-Q410 CarbonylContact O-C 3.58Å; I403-Q410 WeakPolarHBondContact O-CA 3.36Å; I403-V411 PolarHBondContact N-O 3Å; I403-V411 PolarHBondContact O-N 3.12Å; I403-Y413 HydrophobicContact CD1-CD1 4.01Å; I403-Y413 HydrophobicContact CD1-CE1 3.54Å; I403-Y413 HydrophobicContact CG1-CD1 3.83Å; I403-Y413 HydrophobicContact CG1-CE1 3.19Å; I403-I416 HydrophobicContact CB-CD1 4.42Å; I403-I416 HydrophobicContact CD1-CD1 3.38Å; I403-I416 HydrophobicContact CG1-CD1 3.99Å; I403-M428 HydrophobicContact CD1-CE 4.24Å; I403-M428 HydrophobicContact CD1-SD 3.26Å; I403-M428 WeakPolarHBondContact CD1-SD 3.43Å
404	F	95.9	Very high	93.4	Very high	40 Å²	40	52.2 Å²	52.2	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.5	172.1	-162.7	-102.1	0	0	0	110.9	R393 Q394 H397 G408	R393-F404 VanDerWaalsContact CD-O 3.27Å; R393-F404 WeakPolarHBondContact CD-O 3.49Å; R393-F404 HydrophobicContact CG-CD1 3.82Å; Q394-F404 PolarHBondContact NE2-O 3.01Å; H397-F404 HydrophobicContact CB-CB 4.35Å; H397-F404 HydrophobicContact CB-CD1 3.57Å; H397-F404 HydrophobicContact CB-CD2 4.4Å; H397-F404 HydrophobicContact CB-CE1 3.87Å; H397-F404 HydrophobicContact CB-CG 3.85Å; H397-F404 HydrophobicContact CB-CZ 4.4Å; F404-G408 VanDerWaalsContact CE2-O 3.31Å; F404-G408 WeakPolarHBondContact CE2-O 3.16Å
405	L	95.3	Very high	92.8	Very high	31 Å²	31	55.8 Å²	55.8	16%	0.162	30%	0.3	C	S	.	.			trans	-79.3	162.4	-177.4	-58	-175	0	0	0	111.8	M348 I403 T407 G408 Q409 V411	M348-L405 HydrophobicContact CE-CD2 4.26Å; M348-L405 HydrophobicContact SD-CB 4.3Å; M348-L405 HydrophobicContact SD-CD1 4.42Å; I403-L405 HydrophobicContact CG2-CD2 3.96Å; L405-T407 WeakPolarHBondContact CB-OG1 3.28Å; L405-T407 PolarHBondContact O-N 3.37Å; L405-G408 WeakPolarHBondContact O-CA 3.49Å; L405-G408 PolarHBondContact O-N 2.85Å; L405-Q409 HydrophobicContact CD1-CB 4.4Å; L405-Q409 PolarHBondContact N-O 2.49Å; L405-V411 HydrophobicContact CD1-CG2 3.68Å; L405-V411 HydrophobicContact CG-CG2 4.05Å
406	V	95.6	Very high	92	Very high	13 Å²	13	56.3 Å²	56.3	8%	0.079	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	173.1	67.5	0	0	0	0	112.6	Q319 I322 M348 G408	Q319-V406 WeakPolarHBondContact CG-O 3.48Å; I322-V406 HydrophobicContact CD1-CG1 4.06Å; I322-V406 HydrophobicContact CD1-CG2 3.71Å; I322-V406 HydrophobicContact CG2-CG1 4.31Å; M348-V406 HydrophobicContact CG-CG1 3.42Å; M348-V406 VanDerWaalsContact CG-CG1 3.42Å; M348-V406 HydrophobicContact SD-CG1 3.64Å; V406-G408 PolarHBondContact O-N 2.74Å
407	T	94.9	Very high	91.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.012	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5	171.6	57.5	0	0	0	0	113.2	Q319 I322 M323 L326 M348 L405 Q409	Q319-T407 WeakPolarHBondContact CG-O 3.36Å; Q319-T407 PolarHBondContact NE2-O 2.86Å; I322-T407 HydrophobicContact CG2-CG2 4.13Å; M323-T407 WeakPolarHBondContact CE-O 3.46Å; L326-T407 HydrophobicContact CD1-CG2 3.71Å; M348-T407 HydrophobicContact CG-CG2 4.46Å; M348-T407 HydrophobicContact SD-CG2 3.93Å; L405-T407 WeakPolarHBondContact CB-OG1 3.28Å; L405-T407 PolarHBondContact O-N 3.37Å; T407-Q409 PolarHBondContact O-N 3.32Å; T407-Q409 PolarHBondContact OG1-N 2.77Å; T407-Q409 PolarHBondContact OG1-OE1 3.47Å
408	G	93.3	Very high	90.5	Very high	22 Å²	22	56.1 Å²	56.1	23%	0.227	32%	0.315	C	S	.	.	S	Bend	trans	75.2	6.7	-172.2	0	0	0	0	0	114.2	F404 L405 V406	F404-G408 VanDerWaalsContact CE2-O 3.31Å; F404-G408 WeakPolarHBondContact CE2-O 3.16Å; L405-G408 WeakPolarHBondContact O-CA 3.49Å; L405-G408 PolarHBondContact O-N 2.85Å; V406-G408 PolarHBondContact O-N 2.74Å
409	Q	92.4	Very high	89.6	Confident	110 Å²	110	60.9 Å²	60.9	51%	0.514	33%	0.334	S	S	.	.			trans	-79.8	141.4	174.5	-67.9	176.1	-39.4	0	0	110.7	L405 T407	L405-Q409 HydrophobicContact CD1-CB 4.4Å; L405-Q409 PolarHBondContact N-O 2.49Å; T407-Q409 PolarHBondContact O-N 3.32Å; T407-Q409 PolarHBondContact OG1-N 2.77Å; T407-Q409 PolarHBondContact OG1-OE1 3.47Å
410	Q	94.3	Very high	88.7	Confident	75 Å²	75	55.6 Å²	55.6	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.4	172.5	-176.5	152	49	0	0	109.2	K399 S402 I403	K399-Q410 VanDerWaalsContact CD-NE2 3.27Å; K399-Q410 VanDerWaalsContact CG-NE2 3.25Å; S402-Q410 PolarHBondContact OG-NE2 3.44Å; I403-Q410 CarbonylContact O-C 3.58Å; I403-Q410 WeakPolarHBondContact O-CA 3.36Å
411	V	91.2	Very high	88.4	Confident	33 Å²	33	48.2 Å²	48.2	20%	0.2	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.1	-178.4	-176.1	0	0	0	0	109.5	S402 I403 L405 I415 I416	S402-V411 CarbonylContact C-O 3.47Å; S402-V411 VanDerWaalsContact CA-O 3.32Å; S402-V411 WeakPolarHBondContact CA-O 3.42Å; I403-V411 PolarHBondContact N-O 3Å; I403-V411 PolarHBondContact O-N 3.12Å; L405-V411 HydrophobicContact CD1-CG2 3.68Å; L405-V411 HydrophobicContact CG-CG2 4.05Å; V411-I415 HydrophobicContact CG1-CB 4.38Å; V411-I415 HydrophobicContact CG1-CG2 4.49Å; V411-I416 HydrophobicContact CB-CD1 4.47Å; V411-I416 HydrophobicContact CG1-CD1 3.99Å; V411-I416 HydrophobicContact CG1-CG1 3.79Å
412	D	91.4	Very high	88.2	Confident	83 Å²	83	49.9 Å²	49.9	44%	0.444	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.4	179.2	-63.6	-39.9	0	0	0	111.8	S414 I415 I416	D412-S414 PolarHBondContact O-N 3.05Å; D412-I415 HydrophobicContact CB-CD1 4.23Å; D412-I415 HydrophobicContact CB-CG1 4.32Å; D412-I415 WeakPolarHBondContact O-CB 3.33Å; D412-I415 PolarHBondContact O-N 3.19Å; D412-I415 VanDerWaalsContact O-N 3.12Å; D412-I416 PolarHBondContact O-N 3.39Å
413	Y	88.6	Confident	87.9	Confident	52 Å²	52	53.3 Å²	53.3	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-30.8	177.8	-71.6	-57.1	0	0	0	112.6	G401 S402 I403 I415 I416 A417 M428 Q432	G401-Y413 VanDerWaalsContact CA-CD2 3.49Å; G401-Y413 WeakPolarHBondContact O-CD2 3.45Å; G401-Y413 PolarHBondContact O-N 3.38Å; S402-Y413 PolarHBondContact O-OH 3.39Å; S402-Y413 VanDerWaalsContact O-OH 3.1Å; I403-Y413 HydrophobicContact CD1-CD1 4.01Å; I403-Y413 HydrophobicContact CD1-CE1 3.54Å; I403-Y413 HydrophobicContact CG1-CD1 3.83Å; I403-Y413 HydrophobicContact CG1-CE1 3.19Å; Y413-I415 VanDerWaalsContact C-N 3.29Å; Y413-I415 PolarHBondContact O-N 3.49Å; Y413-I416 PolarHBondContact O-N 3.34Å; Y413-A417 VanDerWaalsContact O-CB 3.22Å; Y413-A417 WeakPolarHBondContact O-CB 3.36Å; Y413-A417 PolarHBondContact O-N 2.86Å; Y413-M428 HydrophobicContact CD1-CE 3.83Å; Y413-M428 HydrophobicContact CE1-CE 4.4Å; Y413-Q432 HydrophobicContact CE1-CG 4.25Å; Y413-Q432 WeakPolarHBondContact OH-CG 3.34Å; Y413-Q432 PolarHBondContact OH-NE2 2.93Å; Y413-Q432 PolarHBondContact OH-OE1 2.97Å; Y413-Q432 VanDerWaalsContact OH-OE1 3.08Å
414	S	87.3	Confident	87.5	Confident	83 Å²	83	54.3 Å²	54.3	58%	0.58	33%	0.326	S	S	*	.	H	α-helix	trans	-59.6	-40.7	178.2	56.3	0	0	0	0	111.9	D412 S418	D412-S414 PolarHBondContact O-N 3.05Å; S414-S418 WeakPolarHBondContact O-CB 3.39Å; S414-S418 PolarHBondContact O-N 3.45Å; S414-S418 PolarHBondContact O-OG 2.93Å
415	I	85	Confident	87.2	Confident	76 Å²	76	55 Å²	55	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-46.5	177.8	-60.4	172.5	0	0	0	109.4	V411 D412 Y413 S418 Q419	V411-I415 HydrophobicContact CG1-CB 4.38Å; V411-I415 HydrophobicContact CG1-CG2 4.49Å; D412-I415 HydrophobicContact CB-CD1 4.23Å; D412-I415 HydrophobicContact CB-CG1 4.32Å; D412-I415 WeakPolarHBondContact O-CB 3.33Å; D412-I415 PolarHBondContact O-N 3.19Å; D412-I415 VanDerWaalsContact O-N 3.12Å; Y413-I415 VanDerWaalsContact C-N 3.29Å; Y413-I415 PolarHBondContact O-N 3.49Å; I415-S418 PolarHBondContact O-N 2.96Å; I415-S418 PolarHBondContact O-OG 3.23Å; I415-Q419 WeakPolarHBondContact O-CG 3.37Å; I415-Q419 PolarHBondContact O-N 3.23Å
416	I	80.9	Confident	87	Confident	28 Å²	28	57.9 Å²	57.9	14%	0.144	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-48.5	-179.5	-54.9	172	0	0	0	110	I403 V411 D412 Y413 S418 Q419 A420 L424 M428	I403-I416 HydrophobicContact CB-CD1 4.42Å; I403-I416 HydrophobicContact CD1-CD1 3.38Å; I403-I416 HydrophobicContact CG1-CD1 3.99Å; V411-I416 HydrophobicContact CB-CD1 4.47Å; V411-I416 HydrophobicContact CG1-CD1 3.99Å; V411-I416 HydrophobicContact CG1-CG1 3.79Å; D412-I416 PolarHBondContact O-N 3.39Å; Y413-I416 PolarHBondContact O-N 3.34Å; I416-S418 PolarHBondContact O-N 3.11Å; I416-Q419 CarbonylContact O-C 3.46Å; I416-Q419 PolarHBondContact O-N 3.02Å; I416-A420 HydrophobicContact CG2-CB 4.06Å; I416-A420 WeakPolarHBondContact O-CA 3.28Å; I416-A420 WeakPolarHBondContact O-CB 3.4Å; I416-A420 PolarHBondContact O-N 3.47Å; I416-L424 HydrophobicContact CG2-CD2 4.47Å; I416-M428 HydrophobicContact CB-CE 3.73Å; I416-M428 HydrophobicContact CB-SD 4.44Å; I416-M428 HydrophobicContact CD1-CE 4.09Å; I416-M428 HydrophobicContact CD1-SD 3.96Å; I416-M428 HydrophobicContact CG2-CE 3.33Å; I416-M428 HydrophobicContact CG2-SD 3.73Å
417	A	81.6	Confident	86.9	Confident	48 Å²	48	57.9 Å²	57.9	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-58	-36.4	-179.8	0	0	0	0	0	112.6	Y413 Q419	Y413-A417 VanDerWaalsContact O-CB 3.22Å; Y413-A417 WeakPolarHBondContact O-CB 3.36Å; Y413-A417 PolarHBondContact O-N 2.86Å; A417-Q419 VanDerWaalsContact C-N 3.28Å; A417-Q419 PolarHBondContact O-N 3.25Å
418	S	80.3	Confident	86.7	Confident	94 Å²	94	59 Å²	59	66%	0.657	35%	0.353	S	S	*	.	H	α-helix	trans	-68.6	-25.3	176.1	73.4	0	0	0	0	113.8	S414 I415 I416	S414-S418 WeakPolarHBondContact O-CB 3.39Å; S414-S418 PolarHBondContact O-N 3.45Å; S414-S418 PolarHBondContact O-OG 2.93Å; I415-S418 PolarHBondContact O-N 2.96Å; I415-S418 PolarHBondContact O-OG 3.23Å; I416-S418 PolarHBondContact O-N 3.11Å
419	Q	73.1	Confident	86.7	Confident	116 Å²	116	61.5 Å²	61.5	54%	0.542	37%	0.366	S	S	.	.	H	α-helix	trans	-106.6	-10.7	-177.8	-62.7	179	22.1	0	0	112.8	T341 I415 I416 A417	T341-Q419 PolarHBondContact OG1-OE1 3.3Å; I415-Q419 WeakPolarHBondContact O-CG 3.37Å; I415-Q419 PolarHBondContact O-N 3.23Å; I416-Q419 CarbonylContact O-C 3.46Å; I416-Q419 PolarHBondContact O-N 3.02Å; A417-Q419 VanDerWaalsContact C-N 3.28Å; A417-Q419 PolarHBondContact O-N 3.25Å
420	A	75.1	Confident	86.9	Confident	17 Å²	17	60 Å²	60	14%	0.14	36%	0.359	C	S	.	.			trans	-100.8	137.3	-171.3	0	0	0	0	0	112	I416 L424 N425	I416-A420 HydrophobicContact CG2-CB 4.06Å; I416-A420 WeakPolarHBondContact O-CA 3.28Å; I416-A420 WeakPolarHBondContact O-CB 3.4Å; I416-A420 PolarHBondContact O-N 3.47Å; A420-L424 HydrophobicContact CB-CB 4.04Å; A420-L424 HydrophobicContact CB-CD2 3.71Å; A420-L424 HydrophobicContact CB-CG 4Å; A420-N425 PolarHBondContact O-ND2 3.41Å
421	G	82.2	Confident	87	Confident	41 Å²	41	57 Å²	57	42%	0.423	35%	0.347	S	S	.	.			trans	-71.6	165.6	167.2	0	0	0	0	0	112.3	T423 L424 N425	G421-T423 PolarHBondContact O-N 2.89Å; G421-T423 VanDerWaalsContact O-N 3.12Å; G421-L424 PolarHBondContact O-N 3.31Å; G421-N425 PolarHBondContact O-N 3.08Å; G421-N425 VanDerWaalsContact O-N 3.17Å
422	A	86.4	Confident	87.2	Confident	73 Å²	73	57.7 Å²	57.7	60%	0.603	35%	0.348	S	S	*	.	H	α-helix	trans	-51.6	-38.4	-179	0	0	0	0	0	113.6	L424 N425 N426	A422-L424 PolarHBondContact O-N 3.49Å; A422-N425 PolarHBondContact O-N 3.08Å; A422-N426 VanDerWaalsContact O-CG 3.23Å; A422-N426 PolarHBondContact O-N 2.96Å; A422-N426 PolarHBondContact O-ND2 3.48Å
423	T	86.4	Confident	87.4	Confident	75 Å²	75	58.7 Å²	58.7	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-46.3	177.9	-50.4	0	0	0	0	112.6	G421 N426 L427 Y516	G421-T423 PolarHBondContact O-N 2.89Å; G421-T423 VanDerWaalsContact O-N 3.12Å; T423-N426 PolarHBondContact O-N 3.18Å; T423-L427 PolarHBondContact O-N 2.89Å; T423-Y516 HydrophobicContact CG2-CD2 3.66Å; T423-Y516 HydrophobicContact CG2-CE2 4.48Å; T423-Y516 HydrophobicContact CG2-CG 4.2Å
424	L	86.6	Confident	87.9	Confident	29 Å²	29	56.3 Å²	56.3	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-37.6	-179.6	179.8	59.3	0	0	0	110.9	I416 A420 G421 A422 N426 L427 M428 Y516	I416-L424 HydrophobicContact CG2-CD2 4.47Å; A420-L424 HydrophobicContact CB-CB 4.04Å; A420-L424 HydrophobicContact CB-CD2 3.71Å; A420-L424 HydrophobicContact CB-CG 4Å; G421-L424 PolarHBondContact O-N 3.31Å; A422-L424 PolarHBondContact O-N 3.49Å; L424-N426 PolarHBondContact O-N 3.31Å; L424-L427 WeakPolarHBondContact O-CB 3.48Å; L424-L427 PolarHBondContact O-N 2.83Å; L424-M428 HydrophobicContact CD1-CG 4.4Å; L424-M428 VanDerWaalsContact O-CG 3.3Å; L424-M428 WeakPolarHBondContact O-CG 3.41Å; L424-M428 PolarHBondContact O-N 3.03Å; L424-Y516 HydrophobicContact CB-CE1 4.33Å; L424-Y516 HydrophobicContact CD1-CE1 4.45Å
425	N	89.2	Confident	88.4	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-42.4	174.1	-70.6	-33.3	0	0	0	112.3	A420 G421 A422 M428 S429	A420-N425 PolarHBondContact O-ND2 3.41Å; G421-N425 PolarHBondContact O-N 3.08Å; G421-N425 VanDerWaalsContact O-N 3.17Å; A422-N425 PolarHBondContact O-N 3.08Å; N425-M428 PolarHBondContact O-N 3.33Å; N425-S429 PolarHBondContact O-N 3.09Å
426	N	91.4	Very high	89	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.8	-68.5	-16	0	0	0	112	A422 T423 L424 M428 S429 H430	A422-N426 VanDerWaalsContact O-CG 3.23Å; A422-N426 PolarHBondContact O-N 2.96Å; A422-N426 PolarHBondContact O-ND2 3.48Å; T423-N426 PolarHBondContact O-N 3.18Å; L424-N426 PolarHBondContact O-N 3.31Å; N426-M428 VanDerWaalsContact C-N 3.32Å; N426-M428 PolarHBondContact O-N 2.94Å; N426-S429 WeakPolarHBondContact O-CB 3.48Å; N426-S429 PolarHBondContact O-N 3.26Å; N426-H430 PolarHBondContact O-N 3.4Å; N426-H430 PolarHBondContact O-ND1 2.93Å
427	L	92.6	Very high	89.8	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-56.1	-46.9	174.6	-86.4	168.9	0	0	0	111.7	T423 L424 H430 A431 I509 Q512 A513 Y516	T423-L427 PolarHBondContact O-N 2.89Å; L424-L427 WeakPolarHBondContact O-CB 3.48Å; L424-L427 PolarHBondContact O-N 2.83Å; L427-H430 PolarHBondContact O-N 2.9Å; L427-A431 WeakPolarHBondContact O-CB 3.44Å; L427-A431 PolarHBondContact O-N 3.5Å; L427-I509 HydrophobicContact CD2-CG2 4.02Å; L427-Q512 HydrophobicContact CD2-CB 3.46Å; L427-Q512 VanDerWaalsContact CD2-CB 3.46Å; L427-Q512 HydrophobicContact CG-CB 4.24Å; L427-A513 HydrophobicContact CD1-CB 4.42Å; L427-A513 HydrophobicContact CD2-CB 4.37Å; L427-Y516 HydrophobicContact CD1-CG 4.49Å
428	M	91.8	Very high	90.6	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-40.8	178.5	-64.8	-150.4	-50.8	0	0	112	I403 Y413 I416 L424 N425 N426 H430 A431 Q432	I403-M428 HydrophobicContact CD1-CE 4.24Å; I403-M428 HydrophobicContact CD1-SD 3.26Å; I403-M428 WeakPolarHBondContact CD1-SD 3.43Å; Y413-M428 HydrophobicContact CD1-CE 3.83Å; Y413-M428 HydrophobicContact CE1-CE 4.4Å; I416-M428 HydrophobicContact CB-CE 3.73Å; I416-M428 HydrophobicContact CB-SD 4.44Å; I416-M428 HydrophobicContact CD1-CE 4.09Å; I416-M428 HydrophobicContact CD1-SD 3.96Å; I416-M428 HydrophobicContact CG2-CE 3.33Å; I416-M428 HydrophobicContact CG2-SD 3.73Å; L424-M428 HydrophobicContact CD1-CG 4.4Å; L424-M428 VanDerWaalsContact O-CG 3.3Å; L424-M428 WeakPolarHBondContact O-CG 3.41Å; L424-M428 PolarHBondContact O-N 3.03Å; N425-M428 PolarHBondContact O-N 3.33Å; N426-M428 VanDerWaalsContact C-N 3.32Å; N426-M428 PolarHBondContact O-N 2.94Å; M428-H430 PolarHBondContact O-N 2.98Å; M428-A431 PolarHBondContact O-N 2.99Å; M428-Q432 WeakPolarHBondContact O-CG 3.44Å; M428-Q432 PolarHBondContact O-N 3.37Å
429	S	93.3	Very high	91.5	Very high	74 Å²	74	51 Å²	51	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-47.1	175.4	-171.1	0	0	0	0	111.7	N425 N426 Q432 E433	N425-S429 PolarHBondContact O-N 3.09Å; N426-S429 WeakPolarHBondContact O-CB 3.48Å; N426-S429 PolarHBondContact O-N 3.26Å; S429-Q432 PolarHBondContact O-N 2.93Å; S429-E433 PolarHBondContact O-N 3.33Å
430	H	95.6	Very high	92.6	Very high	79 Å²	79	49.6 Å²	49.6	37%	0.366	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-41.2	177.3	-65.5	154.6	0	0	0	112.2	N426 L427 M428 Q432 E433 L434 I509	N426-H430 PolarHBondContact O-N 3.4Å; N426-H430 PolarHBondContact O-ND1 2.93Å; L427-H430 PolarHBondContact O-N 2.9Å; M428-H430 PolarHBondContact O-N 2.98Å; H430-Q432 VanDerWaalsContact C-N 3.33Å; H430-Q432 PolarHBondContact O-N 3.37Å; H430-E433 PolarHBondContact O-N 3.46Å; H430-L434 PolarHBondContact O-N 3.24Å; H430-L434 VanDerWaalsContact O-N 3.11Å; H430-I509 HydrophobicContact CB-CD1 4.22Å; H430-I509 HydrophobicContact CB-CG1 4.1Å
431	A	96.5	Very high	93.7	Very high	10 Å²	10	49.1 Å²	49.1	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-41.1	175.4	0	0	0	0	0	111.7	L427 M428 L434 V435	L427-A431 WeakPolarHBondContact O-CB 3.44Å; L427-A431 PolarHBondContact O-N 3.5Å; M428-A431 PolarHBondContact O-N 2.99Å; A431-L434 PolarHBondContact O-N 3.49Å; A431-V435 VanDerWaalsContact O-CG2 3.25Å; A431-V435 WeakPolarHBondContact O-CG2 3.48Å; A431-V435 PolarHBondContact O-N 3.43Å
432	Q	95.7	Very high	94.4	Very high	48 Å²	48	52.8 Å²	52.8	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-40	177.7	-72.9	-50.7	-52.1	0	0	113.4	Y413 M428 S429 H430 L434 V435 A436	Y413-Q432 HydrophobicContact CE1-CG 4.25Å; Y413-Q432 WeakPolarHBondContact OH-CG 3.34Å; Y413-Q432 PolarHBondContact OH-NE2 2.93Å; Y413-Q432 PolarHBondContact OH-OE1 2.97Å; Y413-Q432 VanDerWaalsContact OH-OE1 3.08Å; M428-Q432 WeakPolarHBondContact O-CG 3.44Å; M428-Q432 PolarHBondContact O-N 3.37Å; S429-Q432 PolarHBondContact O-N 2.93Å; H430-Q432 VanDerWaalsContact C-N 3.33Å; H430-Q432 PolarHBondContact O-N 3.37Å; Q432-L434 VanDerWaalsContact C-N 3.27Å; Q432-L434 PolarHBondContact O-N 3.37Å; Q432-V435 PolarHBondContact O-N 3.44Å; Q432-A436 PolarHBondContact O-N 3.36Å
433	E	96.9	Very high	95	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-42.2	173.7	-167.8	-169.2	147.7	0	0	111	S429 H430 A436 K437	S429-E433 PolarHBondContact O-N 3.33Å; H430-E433 PolarHBondContact O-N 3.46Å; E433-A436 PolarHBondContact O-N 3.1Å; E433-K437 WeakPolarHBondContact O-CG 2.85Å; E433-K437 PolarHBondContact O-N 3.27Å; E433-K437 VanDerWaalsContact OE1-CE 3.24Å; E433-K437 WeakPolarHBondContact OE1-CE 3.41Å; E433-K437 IonicContact OE1-NZ 2.8Å; E433-K437 PolarHBondContact OE1-NZ 3Å
434	L	98.2	Very high	95.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-40.7	177.1	-179.3	54.1	0	0	0	112.6	I391 H430 A431 Q432 A436 K437 L438 R502 E505 I506 I509	I391-L434 HydrophobicContact CD1-CD2 3.49Å; I391-L434 VanDerWaalsContact CD1-CD2 3.49Å; I391-L434 HydrophobicContact CD1-CG 4.24Å; I391-L434 HydrophobicContact CG2-CG 4.46Å; H430-L434 PolarHBondContact O-N 3.24Å; H430-L434 VanDerWaalsContact O-N 3.11Å; A431-L434 PolarHBondContact O-N 3.49Å; Q432-L434 VanDerWaalsContact C-N 3.27Å; Q432-L434 PolarHBondContact O-N 3.37Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 3.45Å; L434-K437 PolarHBondContact O-N 3.3Å; L434-L438 HydrophobicContact CD1-CD1 4.26Å; L434-L438 HydrophobicContact CD1-CG 4.32Å; L434-L438 HydrophobicContact CG-CD1 4.22Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 3.31Å; L434-R502 HydrophobicContact CD1-CB 4.2Å; L434-R502 HydrophobicContact CD1-CG 4.33Å; L434-E505 HydrophobicContact CD1-CB 4.32Å; L434-E505 HydrophobicContact CD2-CB 4.21Å; L434-I506 HydrophobicContact CD2-CG1 3.8Å; L434-I509 HydrophobicContact CB-CD1 4.42Å; L434-I509 HydrophobicContact CD2-CD1 3.77Å
435	V	98.4	Very high	96.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-44.5	173.1	169.4	0	0	0	0	110.8	I391 Q394 V395 A431 Q432 K437 L438 R439	I391-V435 HydrophobicContact CB-CG2 4.46Å; I391-V435 HydrophobicContact CG2-CG2 3.96Å; Q394-V435 HydrophobicContact CB-CB 4.43Å; Q394-V435 HydrophobicContact CB-CG1 3.94Å; Q394-V435 HydrophobicContact CB-CG2 3.58Å; Q394-V435 HydrophobicContact CG-CG2 4.24Å; V395-V435 HydrophobicContact CG2-CB 4.46Å; V395-V435 HydrophobicContact CG2-CG1 4.04Å; A431-V435 VanDerWaalsContact O-CG2 3.25Å; A431-V435 WeakPolarHBondContact O-CG2 3.48Å; A431-V435 PolarHBondContact O-N 3.43Å; Q432-V435 PolarHBondContact O-N 3.44Å; V435-K437 PolarHBondContact O-N 3.03Å; V435-L438 PolarHBondContact O-N 2.97Å; V435-R439 WeakPolarHBondContact O-CG 3.47Å; V435-R439 PolarHBondContact O-N 3.04Å
436	A	97.8	Very high	96.5	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.2	0	0	0	0	0	111.9	Q432 E433 L434 R439 S440	Q432-A436 PolarHBondContact O-N 3.36Å; E433-A436 PolarHBondContact O-N 3.1Å; L434-A436 VanDerWaalsContact C-N 3.33Å; L434-A436 PolarHBondContact O-N 3.45Å; A436-R439 PolarHBondContact O-N 3.1Å; A436-S440 PolarHBondContact O-N 3.49Å
437	K	98.1	Very high	96.9	Very high	60 Å²	60	46 Å²	46	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-58.8	-49.9	173.7	-71.4	168.6	-175.9	158.8	0	111.3	E433 L434 V435 R439 S440 L441 E505	E433-K437 WeakPolarHBondContact O-CG 2.85Å; E433-K437 PolarHBondContact O-N 3.27Å; E433-K437 VanDerWaalsContact OE1-CE 3.24Å; E433-K437 WeakPolarHBondContact OE1-CE 3.41Å; E433-K437 IonicContact OE1-NZ 2.8Å; E433-K437 PolarHBondContact OE1-NZ 3Å; L434-K437 PolarHBondContact O-N 3.3Å; V435-K437 PolarHBondContact O-N 3.03Å; K437-R439 VanDerWaalsContact C-N 3.35Å; K437-R439 PolarHBondContact O-N 3.48Å; K437-S440 WeakPolarHBondContact O-CB 3.47Å; K437-S440 PolarHBondContact O-N 3.33Å; K437-S440 VanDerWaalsContact O-N 3.12Å; K437-S440 PolarHBondContact O-OG 3.4Å; K437-L441 WeakPolarHBondContact O-CG 3.32Å; K437-L441 PolarHBondContact O-N 3.38Å; K437-L441 VanDerWaalsContact O-N 3.1Å; K437-E505 IonicContact NZ-OE2 2.62Å; K437-E505 PolarHBondContact NZ-OE2 2.87Å
438	L	98.4	Very high	97.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-36.3	-179.7	-74	168.1	0	0	0	112.9	I391 V395 L434 V435 S440 L441 Q442 F443 L499 R502	I391-L438 HydrophobicContact CG2-CD1 3.31Å; V395-L438 HydrophobicContact CG2-CB 3.69Å; V395-L438 HydrophobicContact CG2-CD1 4.22Å; L434-L438 HydrophobicContact CD1-CD1 4.26Å; L434-L438 HydrophobicContact CD1-CG 4.32Å; L434-L438 HydrophobicContact CG-CD1 4.22Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 3.31Å; V435-L438 PolarHBondContact O-N 2.97Å; L438-S440 VanDerWaalsContact C-N 3.35Å; L438-L441 PolarHBondContact O-N 2.89Å; L438-Q442 PolarHBondContact O-N 3.46Å; L438-F443 HydrophobicContact CB-CB 3.95Å; L438-F443 HydrophobicContact CB-CD1 4.26Å; L438-F443 HydrophobicContact CB-CG 4.37Å; L438-F443 HydrophobicContact CD1-CD1 4.18Å; L438-F443 HydrophobicContact CD1-CE1 4.39Å; L438-F443 HydrophobicContact CD2-CB 3.98Å; L438-F443 HydrophobicContact CD2-CD1 3.87Å; L438-F443 HydrophobicContact CD2-CD2 4.12Å; L438-F443 HydrophobicContact CD2-CE1 4.29Å; L438-F443 HydrophobicContact CD2-CG 3.75Å; L438-F443 HydrophobicContact CG-CD1 4.34Å; L438-F443 VanDerWaalsContact O-CB 3.28Å; L438-F443 WeakPolarHBondContact O-CB 3.34Å; L438-F443 PolarHBondContact O-N 2.98Å; L438-L499 HydrophobicContact CD2-CD2 4.38Å; L438-R502 HydrophobicContact CD2-CB 4.44Å; L438-R502 HydrophobicContact CD2-CG 3.83Å
439	R	97.9	Very high	97.5	Very high	96 Å²	96	44.4 Å²	44.4	36%	0.362	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-41.2	171.5	-75.7	176.6	178.5	164.8	-3.6	112	Q394 V395 G398 V435 A436 K437 L441 Q442	Q394-R439 PolarHBondContact O-NH2 2.88Å; V395-R439 HydrophobicContact CB-CG 4.4Å; V395-R439 HydrophobicContact CG1-CG 3.95Å; V395-R439 HydrophobicContact CG2-CG 4.41Å; V395-R439 PolarHBondContact O-NE 3.3Å; G398-R439 VanDerWaalsContact C-NH2 3.34Å; G398-R439 PolarHBondContact O-NH2 3Å; V435-R439 WeakPolarHBondContact O-CG 3.47Å; V435-R439 PolarHBondContact O-N 3.04Å; A436-R439 PolarHBondContact O-N 3.1Å; K437-R439 VanDerWaalsContact C-N 3.35Å; K437-R439 PolarHBondContact O-N 3.48Å; R439-L441 PolarHBondContact O-N 3.23Å; R439-Q442 PolarHBondContact O-N 3.49Å
440	S	97.1	Very high	97.8	Very high	88 Å²	88	40.9 Å²	40.9	62%	0.615	21%	0.205	S	C	*	.	H	α-helix	trans	-63.6	-29.8	176.2	78.2	0	0	0	0	112.7	A436 K437 L438 Q442	A436-S440 PolarHBondContact O-N 3.49Å; K437-S440 WeakPolarHBondContact O-CB 3.47Å; K437-S440 PolarHBondContact O-N 3.33Å; K437-S440 VanDerWaalsContact O-N 3.12Å; K437-S440 PolarHBondContact O-OG 3.4Å; L438-S440 VanDerWaalsContact C-N 3.35Å; S440-Q442 VanDerWaalsContact C-N 3.25Å; S440-Q442 PolarHBondContact O-N 3.12Å
441	L	97.4	Very high	97.9	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.2	173.5	-61.3	177.5	0	0	0	113.2	K437 L438 R439 F443 Q492 K495 Q498 L499	K437-L441 WeakPolarHBondContact O-CG 3.32Å; K437-L441 PolarHBondContact O-N 3.38Å; K437-L441 VanDerWaalsContact O-N 3.1Å; L438-L441 PolarHBondContact O-N 2.89Å; R439-L441 PolarHBondContact O-N 3.23Å; L441-F443 VanDerWaalsContact C-N 3.27Å; L441-F443 PolarHBondContact O-N 2.5Å; L441-Q492 PolarHBondContact O-OE1 3.07Å; L441-K495 WeakPolarHBondContact O-CE 3.39Å; L441-K495 PolarHBondContact O-NZ 3Å; L441-Q498 HydrophobicContact CD1-CB 4.22Å; L441-Q498 HydrophobicContact CD2-CB 4.17Å; L441-L499 HydrophobicContact CD1-CD2 4.16Å
442	Q	97.4	Very high	98	Very high	117 Å²	117	36.9 Å²	36.9	55%	0.547	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	49.2	-169.2	-54.3	178.1	-14.7	0	0	110.8	L438 R439 S440 D444 Y489 K495	L438-Q442 PolarHBondContact O-N 3.46Å; R439-Q442 PolarHBondContact O-N 3.49Å; S440-Q442 VanDerWaalsContact C-N 3.25Å; S440-Q442 PolarHBondContact O-N 3.12Å; Q442-D444 PolarHBondContact O-N 3.13Å; Q442-Y489 HydrophobicContact CB-CE1 4.18Å; Q442-K495 PolarHBondContact O-NZ 3.36Å
443	F	98.5	Very high	98.2	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.048	17%	0.174	C	C	.	.			trans	-63.8	120.9	179.6	-176.7	-127.5	0	0	0	110.9	Y392 L438 L441 E447 F448 L451 L499	Y392-F443 AromaticContact CD2-CD1 3.9Å; Y392-F443 HydrophobicContact CD2-CD1 3.9Å; Y392-F443 AromaticContact CD2-CE1 3.74Å; Y392-F443 HydrophobicContact CD2-CE1 3.74Å; L438-F443 HydrophobicContact CB-CB 3.95Å; L438-F443 HydrophobicContact CB-CD1 4.26Å; L438-F443 HydrophobicContact CB-CG 4.37Å; L438-F443 HydrophobicContact CD1-CD1 4.18Å; L438-F443 HydrophobicContact CD1-CE1 4.39Å; L438-F443 HydrophobicContact CD2-CB 3.98Å; L438-F443 HydrophobicContact CD2-CD1 3.87Å; L438-F443 HydrophobicContact CD2-CD2 4.12Å; L438-F443 HydrophobicContact CD2-CE1 4.29Å; L438-F443 HydrophobicContact CD2-CG 3.75Å; L438-F443 HydrophobicContact CG-CD1 4.34Å; L438-F443 VanDerWaalsContact O-CB 3.28Å; L438-F443 WeakPolarHBondContact O-CB 3.34Å; L438-F443 PolarHBondContact O-N 2.98Å; L441-F443 VanDerWaalsContact C-N 3.27Å; L441-F443 PolarHBondContact O-N 2.5Å; F443-E447 WeakPolarHBondContact CA-OE2 3.43Å; F443-E447 HydrophobicContact CD2-CB 3.64Å; F443-E447 HydrophobicContact CE2-CB 3.51Å; F443-F448 HydrophobicContact CE1-CB 3.99Å; F443-F448 HydrophobicContact CE1-CD2 4.23Å; F443-F448 HydrophobicContact CE2-CB 4.47Å; F443-F448 VanDerWaalsContact CZ-CA 3.44Å; F443-F448 HydrophobicContact CZ-CB 3.79Å; F443-F448 HydrophobicContact CZ-CD2 4.36Å; F443-L451 HydrophobicContact CE2-CD1 3.71Å; F443-L451 HydrophobicContact CE2-CG 4.15Å; F443-L451 HydrophobicContact CZ-CD1 3.65Å; F443-L451 HydrophobicContact CZ-CG 4.19Å; F443-L499 HydrophobicContact CD2-CD2 3.49Å; F443-L499 VanDerWaalsContact CD2-CD2 3.49Å; F443-L499 HydrophobicContact CE2-CD2 3.87Å; F443-L499 HydrophobicContact CG-CD2 4.44Å
444	D	97.9	Very high	98.2	Very high	16 Å²	16	30 Å²	30	9%	0.086	15%	0.153	C	C	.	.			trans	-113.5	176.7	-173.4	75.1	38.8	0	0	0	114	Q442 R446 E447 F448 Y484 Y489	Q442-D444 PolarHBondContact O-N 3.13Å; D444-R446 VanDerWaalsContact C-N 3.33Å; D444-R446 PolarHBondContact O-N 3.24Å; D444-R446 WeakPolarHBondContact OD1-CA 3.49Å; D444-R446 WeakPolarHBondContact OD1-CB 3.46Å; D444-R446 IonicContact OD1-CZ 3.8Å; D444-R446 PolarHBondContact OD1-N 3.08Å; D444-R446 IonicContact OD1-NE 3.19Å; D444-R446 PolarHBondContact OD1-NE 3.15Å; D444-R446 IonicContact OD1-NH2 3.45Å; D444-R446 IonicContact OD2-CZ 2.77Å; D444-R446 IonicContact OD2-NE 3.74Å; D444-R446 IonicContact OD2-NH2 3.98Å; D444-R446 PolarHBondContact OD2-NH2 3.41Å; D444-E447 PolarHBondContact N-OE2 3.32Å; D444-E447 PolarHBondContact O-N 3.47Å; D444-E447 PolarHBondContact OD1-N 3.13Å; D444-F448 WeakPolarHBondContact O-CB 3.34Å; D444-F448 PolarHBondContact O-N 3Å; D444-Y484 WeakPolarHBondContact OD2-CE1 3.36Å; D444-Y484 PolarHBondContact OD2-OH 2.97Å; D444-Y489 PolarHBondContact OD2-OH 3.04Å
445	Q	98.2	Very high	98.3	Very high	84 Å²	84	30.3 Å²	30.3	39%	0.393	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-35.2	-177.4	-164.7	-177.5	19.1	0	0	113.7	L309 Y392 F448 V449	L309-Q445 HydrophobicContact CD2-CG 3.84Å; Y392-Q445 VanDerWaalsContact OH-CA 3.24Å; Y392-Q445 WeakPolarHBondContact OH-CA 3.42Å; Y392-Q445 VanDerWaalsContact OH-CB 3.23Å; Y392-Q445 WeakPolarHBondContact OH-CB 3.27Å; Y392-Q445 PolarHBondContact OH-N 3.25Å; Q445-F448 PolarHBondContact O-N 3.47Å; Q445-V449 PolarHBondContact O-N 2.8Å
446	R	98.3	Very high	98.3	Very high	69 Å²	69	30.2 Å²	30.2	26%	0.26	15%	0.154	S	C	.	.	H	α-helix	trans	-69.2	-43.7	-178.6	-74.7	71	60.3	-178	2.8	109.4	I301 I305 L309 D444 F448 V449 C450 Y484	I301-R446 HydrophobicContact CG2-CG 4.34Å; I305-R446 HydrophobicContact CG2-CB 3.72Å; I305-R446 HydrophobicContact CG2-CG 3.67Å; L309-R446 HydrophobicContact CD1-CG 4.08Å; D444-R446 VanDerWaalsContact C-N 3.33Å; D444-R446 PolarHBondContact O-N 3.24Å; D444-R446 WeakPolarHBondContact OD1-CA 3.49Å; D444-R446 WeakPolarHBondContact OD1-CB 3.46Å; D444-R446 IonicContact OD1-CZ 3.8Å; D444-R446 PolarHBondContact OD1-N 3.08Å; D444-R446 IonicContact OD1-NE 3.19Å; D444-R446 PolarHBondContact OD1-NE 3.15Å; D444-R446 IonicContact OD1-NH2 3.45Å; D444-R446 IonicContact OD2-CZ 2.77Å; D444-R446 IonicContact OD2-NE 3.74Å; D444-R446 IonicContact OD2-NH2 3.98Å; D444-R446 PolarHBondContact OD2-NH2 3.41Å; R446-F448 VanDerWaalsContact C-N 3.34Å; R446-V449 WeakPolarHBondContact O-CG2 3.45Å; R446-C450 PolarHBondContact O-N 2.9Å; R446-C450 PolarHBondContact O-SG 3.23Å; R446-C450 VanDerWaalsContact O-SG 3.35Å; R446-Y484 HydrophobicContact CB-CD1 4.35Å; R446-Y484 HydrophobicContact CB-CE1 3.84Å; R446-Y484 HydrophobicContact CB-CE2 4.01Å; R446-Y484 HydrophobicContact CG-CE2 3.97Å; R446-Y484 VanDerWaalsContact CZ-OH 3.3Å; R446-Y484 PolarHBondContact NE-OH 3.37Å; R446-Y484 PolarHBondContact NH2-OH 3.39Å
447	E	98.6	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-40.2	176.3	-62.3	167.8	159.6	0	0	111	F443 D444 C450 L451 L481 Y484 Y489 K495 L499	F443-E447 WeakPolarHBondContact CA-OE2 3.43Å; F443-E447 HydrophobicContact CD2-CB 3.64Å; F443-E447 HydrophobicContact CE2-CB 3.51Å; D444-E447 PolarHBondContact N-OE2 3.32Å; D444-E447 PolarHBondContact O-N 3.47Å; D444-E447 PolarHBondContact OD1-N 3.13Å; E447-C450 WeakPolarHBondContact O-CB 3.4Å; E447-C450 PolarHBondContact O-N 3.39Å; E447-L451 WeakPolarHBondContact O-CG 3.3Å; E447-L451 PolarHBondContact O-N 3.4Å; E447-L481 HydrophobicContact CB-CD1 4.17Å; E447-L481 HydrophobicContact CG-CD1 3.94Å; E447-Y484 HydrophobicContact CG-CD1 4.02Å; E447-Y484 HydrophobicContact CG-CE1 3.75Å; E447-Y489 WeakPolarHBondContact OE1-CE2 3.34Å; E447-K495 VanDerWaalsContact CD-NZ 3.32Å; E447-K495 WeakPolarHBondContact OE1-CD 3.34Å; E447-K495 WeakPolarHBondContact OE1-CE 3.19Å; E447-K495 IonicContact OE1-NZ 2.71Å; E447-K495 PolarHBondContact OE1-NZ 3.29Å; E447-K495 WeakPolarHBondContact OE2-CE 3.41Å; E447-K495 IonicContact OE2-NZ 3.16Å; E447-K495 PolarHBondContact OE2-NZ 3.2Å; E447-K495 VanDerWaalsContact OE2-NZ 3.16Å; E447-L499 HydrophobicContact CB-CD1 4.1Å; E447-L499 HydrophobicContact CG-CD1 3.95Å
448	F	98.8	Very high	98.1	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-50.2	175.4	169.2	-111.6	0	0	0	113.3	L388 D389 Y392 F443 D444 Q445 R446 C450 L451 K452	L388-F448 HydrophobicContact CD1-CD2 4.09Å; L388-F448 HydrophobicContact CD1-CE2 4.18Å; L388-F448 HydrophobicContact CG-CD2 4.21Å; L388-F448 HydrophobicContact CG-CE2 3.91Å; D389-F448 VanDerWaalsContact OD1-CZ 3.23Å; D389-F448 WeakPolarHBondContact OD1-CZ 3.44Å; Y392-F448 AromaticContact CD1-CD1 3.65Å; Y392-F448 HydrophobicContact CD1-CD1 3.65Å; Y392-F448 AromaticContact CD1-CD2 3.89Å; Y392-F448 HydrophobicContact CD1-CD2 3.89Å; Y392-F448 AromaticContact CD1-CE1 3.56Å; Y392-F448 HydrophobicContact CD1-CE1 3.56Å; Y392-F448 AromaticContact CD1-CE2 3.8Å; Y392-F448 HydrophobicContact CD1-CE2 3.8Å; Y392-F448 AromaticContact CD1-CG 3.78Å; Y392-F448 HydrophobicContact CD1-CG 3.78Å; Y392-F448 AromaticContact CD1-CZ 3.59Å; Y392-F448 HydrophobicContact CD1-CZ 3.59Å; Y392-F448 HydrophobicContact CD2-CB 3.63Å; Y392-F448 HydrophobicContact CD2-CD1 4.26Å; Y392-F448 AromaticContact CD2-CD2 3.72Å; Y392-F448 HydrophobicContact CD2-CD2 3.72Å; Y392-F448 HydrophobicContact CD2-CE2 4.36Å; Y392-F448 AromaticContact CD2-CG 3.61Å; Y392-F448 HydrophobicContact CD2-CG 3.61Å; Y392-F448 AromaticContact CE1-CD1 3.73Å; Y392-F448 HydrophobicContact CE1-CD1 3.73Å; Y392-F448 AromaticContact CE1-CE1 3.89Å; Y392-F448 HydrophobicContact CE1-CE1 3.89Å; Y392-F448 HydrophobicContact CE1-CG 4.09Å; Y392-F448 HydrophobicContact CE1-CZ 4.38Å; Y392-F448 HydrophobicContact CE2-CB 3.65Å; Y392-F448 HydrophobicContact CE2-CD1 4.31Å; Y392-F448 HydrophobicContact CE2-CD2 4.48Å; Y392-F448 AromaticContact CE2-CG 3.93Å; Y392-F448 HydrophobicContact CE2-CG 3.93Å; Y392-F448 HydrophobicContact CG-CB 4.1Å; Y392-F448 AromaticContact CG-CD1 3.94Å; Y392-F448 HydrophobicContact CG-CD1 3.94Å; Y392-F448 AromaticContact CG-CD2 3.36Å; Y392-F448 HydrophobicContact CG-CD2 3.36Å; Y392-F448 HydrophobicContact CG-CE1 4.1Å; Y392-F448 AromaticContact CG-CE2 3.55Å; Y392-F448 HydrophobicContact CG-CE2 3.55Å; Y392-F448 AromaticContact CG-CG 3.53Å; Y392-F448 HydrophobicContact CG-CG 3.53Å; Y392-F448 AromaticContact CG-CZ 3.88Å; Y392-F448 HydrophobicContact CG-CZ 3.88Å; F443-F448 HydrophobicContact CE1-CB 3.99Å; F443-F448 HydrophobicContact CE1-CD2 4.23Å; F443-F448 HydrophobicContact CE2-CB 4.47Å; F443-F448 VanDerWaalsContact CZ-CA 3.44Å; F443-F448 HydrophobicContact CZ-CB 3.79Å; F443-F448 HydrophobicContact CZ-CD2 4.36Å; D444-F448 WeakPolarHBondContact O-CB 3.34Å; D444-F448 PolarHBondContact O-N 3Å; Q445-F448 PolarHBondContact O-N 3.47Å; R446-F448 VanDerWaalsContact C-N 3.34Å; F448-C450 VanDerWaalsContact C-N 3.3Å; F448-C450 PolarHBondContact O-N 2.88Å; F448-L451 PolarHBondContact O-N 3.32Å; F448-L451 VanDerWaalsContact O-N 3.15Å; F448-K452 HydrophobicContact CD1-CD 4.15Å; F448-K452 HydrophobicContact CD2-CD 4.49Å; F448-K452 HydrophobicContact CD2-CG 4.34Å; F448-K452 HydrophobicContact CE1-CD 3.6Å; F448-K452 HydrophobicContact CE1-CG 4.44Å; F448-K452 HydrophobicContact CE2-CD 3.98Å; F448-K452 HydrophobicContact CE2-CG 4.02Å; F448-K452 HydrophobicContact CZ-CD 3.54Å; F448-K452 HydrophobicContact CZ-CG 4.11Å; F448-K452 PolarHBondContact O-N 2.84Å
449	V	98.6	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.5	-62.2	0	0	0	0	111.6	I305 L308 L309 E312 Q445 R446 L451 K452 F453	I305-V449 HydrophobicContact CG2-CG2 4.38Å; L308-V449 HydrophobicContact CB-CB 4.4Å; L308-V449 HydrophobicContact CB-CG2 4.09Å; L309-V449 HydrophobicContact CD2-CG1 3.86Å; L309-V449 HydrophobicContact CD2-CG2 4.04Å; L309-V449 HydrophobicContact CG-CG2 4.1Å; E312-V449 HydrophobicContact CG-CG1 3.46Å; E312-V449 VanDerWaalsContact CG-CG1 3.46Å; Q445-V449 PolarHBondContact O-N 2.8Å; R446-V449 WeakPolarHBondContact O-CG2 3.45Å; V449-L451 PolarHBondContact O-N 3.29Å; V449-K452 PolarHBondContact O-N 2.82Å; V449-F453 WeakPolarHBondContact O-CD2 3.07Å; V449-F453 PolarHBondContact O-N 3.48Å; V449-F453 VanDerWaalsContact O-N 3.07Å
450	C	98.8	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-49.5	172.7	-70	0	0	0	0	111.1	R446 E447 F448 K452 F453 L454 V477 L481	R446-C450 PolarHBondContact O-N 2.9Å; R446-C450 PolarHBondContact O-SG 3.23Å; R446-C450 VanDerWaalsContact O-SG 3.35Å; E447-C450 WeakPolarHBondContact O-CB 3.4Å; E447-C450 PolarHBondContact O-N 3.39Å; F448-C450 VanDerWaalsContact C-N 3.3Å; F448-C450 PolarHBondContact O-N 2.88Å; C450-K452 VanDerWaalsContact C-N 3.32Å; C450-K452 PolarHBondContact O-N 3Å; C450-F453 PolarHBondContact O-N 3.24Å; C450-F453 VanDerWaalsContact O-N 3.16Å; C450-L454 WeakPolarHBondContact O-CG 3.37Å; C450-L454 PolarHBondContact O-N 3.04Å; C450-V477 HydrophobicContact CB-CG1 3.92Å; C450-L481 HydrophobicContact CB-CB 4.13Å; C450-L481 HydrophobicContact CB-CD1 3.94Å; C450-L481 HydrophobicContact CB-CD2 4.08Å; C450-L481 HydrophobicContact CB-CG 4.27Å
451	L	98.8	Very high	97.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-38	178.5	-65.3	-162.2	0	0	0	112.5	L388 F443 E447 F448 V449 F453 L454 V455 L481 L500 L503	L388-L451 HydrophobicContact CD2-CB 4.14Å; F443-L451 HydrophobicContact CE2-CD1 3.71Å; F443-L451 HydrophobicContact CE2-CG 4.15Å; F443-L451 HydrophobicContact CZ-CD1 3.65Å; F443-L451 HydrophobicContact CZ-CG 4.19Å; E447-L451 WeakPolarHBondContact O-CG 3.3Å; E447-L451 PolarHBondContact O-N 3.4Å; F448-L451 PolarHBondContact O-N 3.32Å; F448-L451 VanDerWaalsContact O-N 3.15Å; V449-L451 PolarHBondContact O-N 3.29Å; L451-F453 VanDerWaalsContact C-N 3.34Å; L451-F453 PolarHBondContact O-N 2.9Å; L451-L454 HydrophobicContact CD2-CD1 3.98Å; L451-L454 PolarHBondContact O-N 2.94Å; L451-V455 WeakPolarHBondContact O-CG2 3.39Å; L451-V455 PolarHBondContact O-N 2.89Å; L451-L481 HydrophobicContact CD2-CD2 4.06Å; L451-L500 HydrophobicContact CD2-CD2 4.47Å; L451-L503 HydrophobicContact CB-CD2 4.27Å; L451-L503 HydrophobicContact CD1-CD2 4.38Å; L451-L503 HydrophobicContact CD2-CD1 4.46Å; L451-L503 HydrophobicContact CD2-CD2 4.27Å; L451-L503 HydrophobicContact CD2-CG 4.43Å
452	K	98.6	Very high	96.7	Very high	4 Å²	4	33 Å²	33	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-44.9	174.2	-71.1	177.9	79	176.7	0	111.8	E312 W359 L385 L388 D389 F448 V449 C450 V455 L456	E312-K452 IonicContact OE1-NZ 3.35Å; E312-K452 PolarHBondContact OE1-NZ 3.35Å; E312-K452 IonicContact OE2-NZ 3.74Å; E312-K452 PolarHBondContact OE2-NZ 3.29Å; E312-K452 VanDerWaalsContact OE2-NZ 3.14Å; W359-K452 HydrophobicContact CH2-CB 3.74Å; W359-K452 HydrophobicContact CZ2-CB 3.73Å; W359-K452 HydrophobicContact CZ2-CD 4.17Å; L385-K452 HydrophobicContact CD2-CB 4.25Å; L385-K452 HydrophobicContact CD2-CG 4.41Å; L388-K452 HydrophobicContact CD2-CB 4.46Å; L388-K452 HydrophobicContact CD2-CG 3.84Å; L388-K452 HydrophobicContact CG-CG 4.44Å; D389-K452 WeakPolarHBondContact OD1-CE 3.39Å; D389-K452 IonicContact OD1-NZ 3Å; F448-K452 HydrophobicContact CD1-CD 4.15Å; F448-K452 HydrophobicContact CD2-CD 4.49Å; F448-K452 HydrophobicContact CD2-CG 4.34Å; F448-K452 HydrophobicContact CE1-CD 3.6Å; F448-K452 HydrophobicContact CE1-CG 4.44Å; F448-K452 HydrophobicContact CE2-CD 3.98Å; F448-K452 HydrophobicContact CE2-CG 4.02Å; F448-K452 HydrophobicContact CZ-CD 3.54Å; F448-K452 HydrophobicContact CZ-CG 4.11Å; F448-K452 PolarHBondContact O-N 2.84Å; V449-K452 PolarHBondContact O-N 2.82Å; C450-K452 VanDerWaalsContact C-N 3.32Å; C450-K452 PolarHBondContact O-N 3Å; K452-V455 PolarHBondContact O-N 3.43Å; K452-L456 WeakPolarHBondContact O-CB 3.41Å; K452-L456 PolarHBondContact O-N 3.15Å
453	F	98.8	Very high	96.4	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-37.5	177.3	-88.1	-93.4	0	0	0	112.1	L308 W359 S363 F365 V449 C450 L451 V455 L456 F457 V477	L308-F453 HydrophobicContact CB-CD2 4.18Å; L308-F453 HydrophobicContact CB-CE2 3.93Å; L308-F453 HydrophobicContact CD1-CB 4.39Å; L308-F453 HydrophobicContact CD1-CD2 3.92Å; L308-F453 HydrophobicContact CD1-CE2 4.43Å; L308-F453 HydrophobicContact CD1-CG 4.1Å; L308-F453 HydrophobicContact CD2-CD1 3.92Å; L308-F453 HydrophobicContact CD2-CD2 3.91Å; L308-F453 HydrophobicContact CD2-CE1 3.76Å; L308-F453 HydrophobicContact CD2-CE2 3.73Å; L308-F453 HydrophobicContact CD2-CG 4Å; L308-F453 HydrophobicContact CD2-CZ 3.66Å; L308-F453 HydrophobicContact CG-CD2 4.19Å; L308-F453 HydrophobicContact CG-CE2 4.2Å; W359-F453 HydrophobicContact CH2-CD2 4.39Å; W359-F453 HydrophobicContact CH2-CE2 4.4Å; W359-F453 AromaticContact CZ2-CD2 3.84Å; W359-F453 HydrophobicContact CZ2-CD2 3.84Å; W359-F453 AromaticContact CZ2-CE2 3.59Å; W359-F453 HydrophobicContact CZ2-CE2 3.59Å; W359-F453 HydrophobicContact CZ2-CZ 4.2Å; S363-F453 VanDerWaalsContact OG-CE1 3.27Å; S363-F453 WeakPolarHBondContact OG-CE1 3.39Å; F365-F453 HydrophobicContact CD2-CE1 4.16Å; V449-F453 WeakPolarHBondContact O-CD2 3.07Å; V449-F453 PolarHBondContact O-N 3.48Å; V449-F453 VanDerWaalsContact O-N 3.07Å; C450-F453 PolarHBondContact O-N 3.24Å; C450-F453 VanDerWaalsContact O-N 3.16Å; L451-F453 VanDerWaalsContact C-N 3.34Å; L451-F453 PolarHBondContact O-N 2.9Å; F453-V455 VanDerWaalsContact C-N 3.31Å; F453-V455 PolarHBondContact O-N 3.23Å; F453-L456 PolarHBondContact O-N 2.91Å; F453-F457 AromaticContact CD1-CD2 3.92Å; F453-F457 HydrophobicContact CD1-CD2 3.92Å; F453-F457 AromaticContact CD1-CE2 3.63Å; F453-F457 HydrophobicContact CD1-CE2 3.63Å; F453-F457 AromaticContact CE1-CE2 3.92Å; F453-F457 HydrophobicContact CE1-CE2 3.92Å; F453-F457 WeakPolarHBondContact O-CB 3.23Å; F453-F457 WeakPolarHBondContact O-CD2 3.49Å; F453-F457 PolarHBondContact O-N 3.2Å; F453-V477 HydrophobicContact CB-CG1 4.28Å; F453-V477 HydrophobicContact CB-CG2 4.13Å
454	L	98.7	Very high	96.2	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-35.2	173.8	-64.1	177.4	0	0	0	112.4	C450 L451 Q474 V477 N478 L481 L500 L503	C450-L454 WeakPolarHBondContact O-CG 3.37Å; C450-L454 PolarHBondContact O-N 3.04Å; L451-L454 HydrophobicContact CD2-CD1 3.98Å; L451-L454 PolarHBondContact O-N 2.94Å; L454-Q474 VanDerWaalsContact CA-NE2 3.31Å; L454-Q474 VanDerWaalsContact CD2-OE1 3.26Å; L454-Q474 PolarHBondContact O-NE2 3.46Å; L454-V477 HydrophobicContact CD2-CB 3.95Å; L454-V477 HydrophobicContact CD2-CG1 3.72Å; L454-V477 HydrophobicContact CG-CG1 3.81Å; L454-N478 WeakPolarHBondContact CD2-ND2 3.47Å; L454-L481 HydrophobicContact CD1-CD2 4.39Å; L454-L500 HydrophobicContact CD1-CD2 3.71Å; L454-L503 HydrophobicContact CB-CD1 4.32Å; L454-L503 HydrophobicContact CD1-CD1 4.34Å
455	V	98.6	Very high	96	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-43.7	174.8	168.8	0	0	0	0	111.3	C381 E384 L385 L388 L451 K452 F453 L503	C381-V455 HydrophobicContact CB-CG1 3.8Å; C381-V455 WeakPolarHBondContact CB-O 3.39Å; E384-V455 HydrophobicContact CB-CG1 3.63Å; L385-V455 HydrophobicContact CD2-CB 3.99Å; L385-V455 HydrophobicContact CD2-CG1 3.65Å; L385-V455 HydrophobicContact CG-CG1 3.82Å; L388-V455 HydrophobicContact CD2-CG2 4.16Å; L451-V455 WeakPolarHBondContact O-CG2 3.39Å; L451-V455 PolarHBondContact O-N 2.89Å; K452-V455 PolarHBondContact O-N 3.43Å; F453-V455 VanDerWaalsContact C-N 3.31Å; F453-V455 PolarHBondContact O-N 3.23Å; V455-L503 HydrophobicContact CG2-CD2 3.64Å
456	L	98.4	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-48.5	180	178.1	61.3	0	0	0	112	W359 A360 F366 L378 K452 F453 S458	W359-L456 HydrophobicContact CH2-CB 4.26Å; W359-L456 HydrophobicContact CH2-CD2 3.88Å; W359-L456 HydrophobicContact CZ3-CB 4.37Å; W359-L456 HydrophobicContact CZ3-CD2 3.75Å; W359-L456 HydrophobicContact CZ3-CG 4.5Å; A360-L456 HydrophobicContact CB-CD1 4.47Å; A360-L456 HydrophobicContact CB-CD2 4.06Å; F366-L456 HydrophobicContact CD2-CD1 4.28Å; F366-L456 HydrophobicContact CD2-CD2 3.94Å; F366-L456 HydrophobicContact CD2-CG 4.32Å; F366-L456 HydrophobicContact CE2-CD1 3.93Å; F366-L456 HydrophobicContact CE2-CD2 4.4Å; F366-L456 HydrophobicContact CE2-CG 4.44Å; L378-L456 HydrophobicContact CD2-CD1 3.97Å; K452-L456 WeakPolarHBondContact O-CB 3.41Å; K452-L456 PolarHBondContact O-N 3.15Å; F453-L456 PolarHBondContact O-N 2.91Å; L456-S458 VanDerWaalsContact C-N 3.28Å; L456-S458 PolarHBondContact O-N 3.02Å
457	F	98.1	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	57.9	-179.1	-68.8	-88.2	0	0	0	110.7	F365 F366 L369 L377 F453 V470 V473 Q474	F365-F457 HydrophobicContact CB-CE1 4.15Å; F365-F457 HydrophobicContact CB-CE2 4.31Å; F365-F457 HydrophobicContact CB-CZ 3.61Å; F366-F457 HydrophobicContact CB-CZ 4.17Å; F366-F457 HydrophobicContact CD2-CZ 4.25Å; L369-F457 HydrophobicContact CD1-CE1 3.89Å; L377-F457 HydrophobicContact CD1-CD1 4.26Å; L377-F457 HydrophobicContact CD1-CE1 4.41Å; F453-F457 AromaticContact CD1-CD2 3.92Å; F453-F457 HydrophobicContact CD1-CD2 3.92Å; F453-F457 AromaticContact CD1-CE2 3.63Å; F453-F457 HydrophobicContact CD1-CE2 3.63Å; F453-F457 AromaticContact CE1-CE2 3.92Å; F453-F457 HydrophobicContact CE1-CE2 3.92Å; F453-F457 WeakPolarHBondContact O-CB 3.23Å; F453-F457 WeakPolarHBondContact O-CD2 3.49Å; F453-F457 PolarHBondContact O-N 3.2Å; F457-V470 HydrophobicContact CB-CG1 3.89Å; F457-V470 HydrophobicContact CD1-CB 4.44Å; F457-V470 HydrophobicContact CD1-CG1 4.19Å; F457-V470 HydrophobicContact CD1-CG2 4.23Å; F457-V473 HydrophobicContact CB-CG1 4.2Å; F457-V473 HydrophobicContact CD1-CB 4.18Å; F457-V473 HydrophobicContact CD1-CG1 4.08Å; F457-V473 HydrophobicContact CD1-CG2 4.41Å; F457-V473 HydrophobicContact CD2-CG1 3.71Å; F457-V473 HydrophobicContact CE1-CG1 4.4Å; F457-V473 HydrophobicContact CE1-CG2 4.35Å; F457-V473 HydrophobicContact CE2-CG1 4.07Å; F457-V473 HydrophobicContact CG-CB 4.22Å; F457-V473 HydrophobicContact CG-CG1 3.72Å; F457-V473 HydrophobicContact CZ-CG1 4.4Å; F457-Q474 HydrophobicContact CB-CG 4.47Å; F457-Q474 WeakPolarHBondContact O-CG 3.01Å; F457-Q474 PolarHBondContact O-NE2 3.06Å
458	S	94.1	Very high	95.6	Very high	20 Å²	20	44.1 Å²	44.1	14%	0.14	22%	0.218	C	C	.	.			trans	-74.2	131.5	-178.8	-176.9	0	0	0	0	112.2	L456 D460	L456-S458 VanDerWaalsContact C-N 3.28Å; L456-S458 PolarHBondContact O-N 3.02Å; S458-D460 PolarHBondContact O-N 3.29Å; S458-D460 PolarHBondContact OG-N 2.62Å
459	L	91.3	Very high	95.4	Very high	70 Å²	70	45.1 Å²	45.1	37%	0.366	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.4	176.8	-56.3	-179.2	0	0	0	113.7	V461 F467 V470 E471 Q474	L459-V461 VanDerWaalsContact C-N 3.26Å; L459-V461 PolarHBondContact O-N 2.76Å; L459-F467 HydrophobicContact CD2-CE2 4.43Å; L459-F467 HydrophobicContact CD2-CZ 4.26Å; L459-V470 HydrophobicContact CD2-CG1 4.07Å; L459-E471 HydrophobicContact CD2-CB 4.22Å; L459-Q474 HydrophobicContact CD1-CG 4.42Å; L459-Q474 HydrophobicContact CD2-CB 4.4Å; L459-Q474 HydrophobicContact CD2-CG 3.98Å; L459-Q474 HydrophobicContact CG-CG 4.03Å
460	D	89.8	Confident	95.4	Very high	97 Å²	97	45.1 Å²	45.1	52%	0.519	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.9	-179.9	-70.8	-20.7	0	0	0	112.8	S458 K462 R507	S458-D460 PolarHBondContact O-N 3.29Å; S458-D460 PolarHBondContact OG-N 2.62Å; D460-K462 PolarHBondContact O-N 3.17Å; D460-R507 IonicContact OD2-CZ 3.98Å; D460-R507 IonicContact OD2-NH1 3.95Å; D460-R507 PolarHBondContact OD2-NH1 2.86Å; D460-R507 IonicContact OD2-NH2 3.06Å
461	V	91.9	Very high	95.2	Very high	15 Å²	15	49 Å²	49	9%	0.091	24%	0.242	C	C	.	.			trans	-75.5	124.7	-177.4	-176	0	0	0	0	110.3	K376 L377 N380 L459 L464	K376-V461 HydrophobicContact CB-CG1 3.91Å; L377-V461 HydrophobicContact CD2-CB 4.21Å; L377-V461 HydrophobicContact CD2-CG1 4.42Å; L377-V461 HydrophobicContact CD2-CG2 3.93Å; N380-V461 HydrophobicContact CB-CG2 3.62Å; N380-V461 VanDerWaalsContact CG-CG2 3.48Å; N380-V461 WeakPolarHBondContact ND2-CG2 3.15Å; L459-V461 VanDerWaalsContact C-N 3.26Å; L459-V461 PolarHBondContact O-N 2.76Å; V461-L464 HydrophobicContact CB-CD1 3.96Å; V461-L464 HydrophobicContact CB-CD2 4.48Å; V461-L464 HydrophobicContact CB-CG 4.19Å; V461-L464 HydrophobicContact CG1-CD1 4.26Å; V461-L464 HydrophobicContact CG1-CD2 3.89Å; V461-L464 HydrophobicContact CG1-CG 3.95Å
462	K	89.1	Confident	95.2	Very high	168 Å²	168	49.9 Å²	49.9	73%	0.73	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	153.2	-176	-61	178.4	-175	171.3	0	111.3	D460 L464	D460-K462 PolarHBondContact O-N 3.17Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 2.95Å
463	N	91.1	Very high	95.1	Very high	142 Å²	142	49.7 Å²	49.7	76%	0.759	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	31.8	171.8	-51.1	-35.3	0	0	0	114.3	K376	K376-N463 PolarHBondContact NZ-O 3.38Å
464	L	93.6	Very high	95.1	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.105	26%	0.257	C	S	.	.			trans	-68.3	135.2	169.3	-69	171.6	0	0	0	109.9	D373 K376 L377 V461 K462 F467 V470	D373-L464 HydrophobicContact CB-CD2 3.96Å; D373-L464 WeakPolarHBondContact OD1-CA 3.1Å; K376-L464 HydrophobicContact CB-CD2 4.25Å; K376-L464 HydrophobicContact CD-CD2 4.26Å; L377-L464 HydrophobicContact CD2-CD1 4.13Å; L377-L464 HydrophobicContact CD2-CD2 4.13Å; L377-L464 HydrophobicContact CG-CD2 4.19Å; V461-L464 HydrophobicContact CB-CD1 3.96Å; V461-L464 HydrophobicContact CB-CD2 4.48Å; V461-L464 HydrophobicContact CB-CG 4.19Å; V461-L464 HydrophobicContact CG1-CD1 4.26Å; V461-L464 HydrophobicContact CG1-CD2 3.89Å; V461-L464 HydrophobicContact CG1-CG 3.95Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 2.95Å; L464-F467 HydrophobicContact CB-CB 4.46Å; L464-F467 HydrophobicContact CD1-CD2 4.32Å; L464-V470 HydrophobicContact CD1-CB 4.43Å; L464-V470 HydrophobicContact CD1-CG1 4.47Å; L464-V470 HydrophobicContact CD1-CG2 3.96Å
465	E	94.5	Very high	95	Very high	105 Å²	105	56.9 Å²	56.9	49%	0.491	28%	0.284	S	S	.	.	S	Bend	trans	-72.8	-43.7	174.3	-64.1	-170.9	-163.8	0	0	111.2	K370 D373	K370-E465 WeakPolarHBondContact CD-OE2 3.48Å; K370-E465 WeakPolarHBondContact CE-OE2 3.45Å; K370-E465 IonicContact NZ-OE2 2.63Å; K370-E465 PolarHBondContact NZ-OE2 2.79Å; D373-E465 VanDerWaalsContact CG-N 3.33Å; D373-E465 PolarHBondContact OD1-N 2.95Å; D373-E465 WeakPolarHBondContact OD2-CA 3.36Å; D373-E465 WeakPolarHBondContact OD2-CB 3.34Å; D373-E465 PolarHBondContact OD2-N 3.35Å
466	N	94.3	Very high	94.9	Very high	59 Å²	59	61.1 Å²	61.1	32%	0.316	30%	0.303	S	S	.	.			trans	-108.8	62.3	-179.9	-165.1	-5.9	0	0	0	111.8	L369 D373 Q468 L469	L369-N466 HydrophobicContact CD2-CB 4.06Å; D373-N466 PolarHBondContact OD2-N 2.88Å; N466-Q468 PolarHBondContact O-N 3.06Å; N466-L469 HydrophobicContact CB-CB 4.47Å; N466-L469 PolarHBondContact O-N 3.15Å; N466-L469 WeakPolarHBondContact OD1-CB 3.19Å; N466-L469 PolarHBondContact OD1-N 2.66Å; N466-L469 VanDerWaalsContact OD1-N 3.16Å
467	F	95.5	Very high	94.9	Very high	73 Å²	73	61.2 Å²	61.2	32%	0.32	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-35.4	177.6	-177.4	-92.2	0	0	0	112.4	L459 L464 L469 V470 E471	L459-F467 HydrophobicContact CD2-CE2 4.43Å; L459-F467 HydrophobicContact CD2-CZ 4.26Å; L464-F467 HydrophobicContact CB-CB 4.46Å; L464-F467 HydrophobicContact CD1-CD2 4.32Å; F467-L469 VanDerWaalsContact C-N 3.33Å; F467-L469 PolarHBondContact O-N 3.35Å; F467-V470 PolarHBondContact O-N 3.41Å; F467-V470 VanDerWaalsContact O-N 3.15Å; F467-E471 HydrophobicContact CD1-CB 4.49Å; F467-E471 HydrophobicContact CE1-CB 4.18Å; F467-E471 PolarHBondContact O-N 3.28Å
468	Q	95.4	Very high	94.9	Very high	130 Å²	130	63 Å²	63	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-37.7	-178.6	-67.3	80.9	5.5	0	0	112.5	N466 G472	N466-Q468 PolarHBondContact O-N 3.06Å; Q468-G472 PolarHBondContact O-N 3.2Å
469	L	96.6	Very high	95.1	Very high	28 Å²	28	64.3 Å²	64.3	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-43.9	174.4	177.6	61.2	0	0	0	111	E368 L369 N466 F467 E471 G472 V473	E368-L469 HydrophobicContact CB-CD2 3.73Å; L369-L469 HydrophobicContact CD2-CD2 3.72Å; L369-L469 HydrophobicContact CD2-CG 4.43Å; L369-L469 HydrophobicContact CG-CD2 3.92Å; N466-L469 HydrophobicContact CB-CB 4.47Å; N466-L469 PolarHBondContact O-N 3.15Å; N466-L469 WeakPolarHBondContact OD1-CB 3.19Å; N466-L469 PolarHBondContact OD1-N 2.66Å; N466-L469 VanDerWaalsContact OD1-N 3.16Å; F467-L469 VanDerWaalsContact C-N 3.33Å; F467-L469 PolarHBondContact O-N 3.35Å; L469-E471 PolarHBondContact O-N 3.32Å; L469-G472 PolarHBondContact O-N 2.95Å; L469-V473 HydrophobicContact CD1-CG2 4.1Å; L469-V473 HydrophobicContact CG-CG2 4.46Å; L469-V473 VanDerWaalsContact O-CG2 3.22Å; L469-V473 WeakPolarHBondContact O-CG2 3.15Å; L469-V473 PolarHBondContact O-N 3.18Å
470	V	97.3	Very high	95.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-43.8	179.2	-176.7	0	0	0	0	111.2	L369 L377 F457 L459 L464 F467 V473 Q474	L369-V470 HydrophobicContact CD2-CG2 4.39Å; L377-V470 HydrophobicContact CD1-CG2 4.28Å; F457-V470 HydrophobicContact CB-CG1 3.89Å; F457-V470 HydrophobicContact CD1-CB 4.44Å; F457-V470 HydrophobicContact CD1-CG1 4.19Å; F457-V470 HydrophobicContact CD1-CG2 4.23Å; L459-V470 HydrophobicContact CD2-CG1 4.07Å; L464-V470 HydrophobicContact CD1-CB 4.43Å; L464-V470 HydrophobicContact CD1-CG1 4.47Å; L464-V470 HydrophobicContact CD1-CG2 3.96Å; F467-V470 PolarHBondContact O-N 3.41Å; F467-V470 VanDerWaalsContact O-N 3.15Å; V470-V473 PolarHBondContact O-N 3Å; V470-Q474 PolarHBondContact O-N 2.89Å
471	E	95.8	Very high	95.8	Very high	80 Å²	80	56.7 Å²	56.7	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-48.6	174	-173.6	172.6	-122.1	0	0	112	L459 F467 L469 V473 Q474 E475	L459-E471 HydrophobicContact CD2-CB 4.22Å; F467-E471 HydrophobicContact CD1-CB 4.49Å; F467-E471 HydrophobicContact CE1-CB 4.18Å; F467-E471 PolarHBondContact O-N 3.28Å; L469-E471 PolarHBondContact O-N 3.32Å; E471-V473 VanDerWaalsContact C-N 3.32Å; E471-V473 PolarHBondContact O-N 3.4Å; E471-Q474 WeakPolarHBondContact O-CB 3.26Å; E471-Q474 PolarHBondContact O-N 3.16Å; E471-Q474 VanDerWaalsContact O-N 3.16Å; E471-E475 WeakPolarHBondContact O-CG 3.34Å; E471-E475 PolarHBondContact O-N 3.06Å
472	G	97.3	Very high	96	Very high	20 Å²	20	59 Å²	59	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-35.6	178.6	0	0	0	0	0	113.5	Q468 L469 Q476	Q468-G472 PolarHBondContact O-N 3.2Å; L469-G472 PolarHBondContact O-N 2.95Å; G472-Q476 WeakPolarHBondContact O-CB 3.39Å; G472-Q476 VanDerWaalsContact O-CG 3.25Å; G472-Q476 WeakPolarHBondContact O-CG 3.39Å; G472-Q476 PolarHBondContact O-N 2.63Å; G472-Q476 VanDerWaalsContact O-N 3.12Å; G472-Q476 PolarHBondContact O-NE2 3.21Å
473	V	97.9	Very high	96.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-43.9	174	173.1	0	0	0	0	110.5	F365 F457 L469 V470 E471 E475 Q476 V477	F365-V473 HydrophobicContact CB-CG2 3.78Å; F365-V473 HydrophobicContact CD1-CG2 3.6Å; F365-V473 HydrophobicContact CD2-CG1 4.23Å; F365-V473 HydrophobicContact CD2-CG2 4.3Å; F365-V473 HydrophobicContact CE1-CG2 4.23Å; F365-V473 HydrophobicContact CG-CG1 4.33Å; F365-V473 HydrophobicContact CG-CG2 3.63Å; F457-V473 HydrophobicContact CB-CG1 4.2Å; F457-V473 HydrophobicContact CD1-CB 4.18Å; F457-V473 HydrophobicContact CD1-CG1 4.08Å; F457-V473 HydrophobicContact CD1-CG2 4.41Å; F457-V473 HydrophobicContact CD2-CG1 3.71Å; F457-V473 HydrophobicContact CE1-CG1 4.4Å; F457-V473 HydrophobicContact CE1-CG2 4.35Å; F457-V473 HydrophobicContact CE2-CG1 4.07Å; F457-V473 HydrophobicContact CG-CB 4.22Å; F457-V473 HydrophobicContact CG-CG1 3.72Å; F457-V473 HydrophobicContact CZ-CG1 4.4Å; L469-V473 HydrophobicContact CD1-CG2 4.1Å; L469-V473 HydrophobicContact CG-CG2 4.46Å; L469-V473 VanDerWaalsContact O-CG2 3.22Å; L469-V473 WeakPolarHBondContact O-CG2 3.15Å; L469-V473 PolarHBondContact O-N 3.18Å; V470-V473 PolarHBondContact O-N 3Å; E471-V473 VanDerWaalsContact C-N 3.32Å; E471-V473 PolarHBondContact O-N 3.4Å; V473-E475 PolarHBondContact O-N 2.7Å; V473-Q476 PolarHBondContact O-N 3.44Å; V473-V477 HydrophobicContact CG1-CG2 4.13Å; V473-V477 WeakPolarHBondContact O-CB 3.3Å; V473-V477 VanDerWaalsContact O-CG2 3.24Å; V473-V477 WeakPolarHBondContact O-CG2 3.49Å; V473-V477 PolarHBondContact O-N 2.84Å
474	Q	97.6	Very high	96.5	Very high	31 Å²	31	48.7 Å²	48.7	15%	0.145	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-48.7	175.1	-89.4	-82.9	-23.3	0	0	112.2	L454 F457 L459 V470 E471 Q476 V477 N478	L454-Q474 VanDerWaalsContact CA-NE2 3.31Å; L454-Q474 VanDerWaalsContact CD2-OE1 3.26Å; L454-Q474 PolarHBondContact O-NE2 3.46Å; F457-Q474 HydrophobicContact CB-CG 4.47Å; F457-Q474 WeakPolarHBondContact O-CG 3.01Å; F457-Q474 PolarHBondContact O-NE2 3.06Å; L459-Q474 HydrophobicContact CD1-CG 4.42Å; L459-Q474 HydrophobicContact CD2-CB 4.4Å; L459-Q474 HydrophobicContact CD2-CG 3.98Å; L459-Q474 HydrophobicContact CG-CG 4.03Å; V470-Q474 PolarHBondContact O-N 2.89Å; E471-Q474 WeakPolarHBondContact O-CB 3.26Å; E471-Q474 PolarHBondContact O-N 3.16Å; E471-Q474 VanDerWaalsContact O-N 3.16Å; Q474-Q476 PolarHBondContact O-N 3.37Å; Q474-V477 PolarHBondContact O-N 3.33Å; Q474-N478 WeakPolarHBondContact O-CB 3.38Å; Q474-N478 PolarHBondContact O-N 3.05Å; Q474-N478 PolarHBondContact O-ND2 2.79Å; Q474-N478 PolarHBondContact OE1-ND2 2.91Å; Q474-N478 VanDerWaalsContact OE1-ND2 3.13Å
475	E	96.3	Very high	96.6	Very high	129 Å²	129	48 Å²	48	60%	0.603	25%	0.247	S	C	*	.	H	α-helix	trans	-60.4	-47.2	179	-70.7	179.8	170.3	0	0	111.6	E471 V473 N478 A479	E471-E475 WeakPolarHBondContact O-CG 3.34Å; E471-E475 PolarHBondContact O-N 3.06Å; V473-E475 PolarHBondContact O-N 2.7Å; E475-N478 PolarHBondContact O-N 3.38Å; E475-A479 WeakPolarHBondContact O-CB 3.2Å; E475-A479 PolarHBondContact O-N 3.46Å
476	Q	98.1	Very high	96.5	Very high	97 Å²	97	48.8 Å²	48.8	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-44.9	179.1	-76.1	175.1	72.9	0	0	112.6	L304 G472 V473 Q474 A479 A480	L304-Q476 HydrophobicContact CD2-CB 3.78Å; L304-Q476 WeakPolarHBondContact CD2-O 3.44Å; G472-Q476 WeakPolarHBondContact O-CB 3.39Å; G472-Q476 VanDerWaalsContact O-CG 3.25Å; G472-Q476 WeakPolarHBondContact O-CG 3.39Å; G472-Q476 PolarHBondContact O-N 2.63Å; G472-Q476 VanDerWaalsContact O-N 3.12Å; G472-Q476 PolarHBondContact O-NE2 3.21Å; V473-Q476 PolarHBondContact O-N 3.44Å; Q474-Q476 PolarHBondContact O-N 3.37Å; Q476-A479 PolarHBondContact O-N 2.88Å; Q476-A480 WeakPolarHBondContact O-CB 3.04Å; Q476-A480 PolarHBondContact O-N 3.06Å
477	V	98.4	Very high	96.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-40.6	179.5	176	0	0	0	0	111.1	L304 L308 C450 F453 L454 V473 Q474 A480 L481	L304-V477 HydrophobicContact CD2-CG2 4.35Å; L308-V477 HydrophobicContact CD1-CG1 4.5Å; L308-V477 HydrophobicContact CD1-CG2 4.19Å; C450-V477 HydrophobicContact CB-CG1 3.92Å; F453-V477 HydrophobicContact CB-CG1 4.28Å; F453-V477 HydrophobicContact CB-CG2 4.13Å; L454-V477 HydrophobicContact CD2-CB 3.95Å; L454-V477 HydrophobicContact CD2-CG1 3.72Å; L454-V477 HydrophobicContact CG-CG1 3.81Å; V473-V477 HydrophobicContact CG1-CG2 4.13Å; V473-V477 WeakPolarHBondContact O-CB 3.3Å; V473-V477 VanDerWaalsContact O-CG2 3.24Å; V473-V477 WeakPolarHBondContact O-CG2 3.49Å; V473-V477 PolarHBondContact O-N 2.84Å; Q474-V477 PolarHBondContact O-N 3.33Å; V477-A480 PolarHBondContact O-N 3.3Å; V477-L481 VanDerWaalsContact O-CB 3.3Å; V477-L481 WeakPolarHBondContact O-CB 3.39Å; V477-L481 PolarHBondContact O-N 3.39Å
478	N	98.3	Very high	96.3	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-44.1	175.6	-81.2	-66.8	0	0	0	111.8	L454 Q474 E475 L481 L482 F496	L454-N478 WeakPolarHBondContact CD2-ND2 3.47Å; Q474-N478 WeakPolarHBondContact O-CB 3.38Å; Q474-N478 PolarHBondContact O-N 3.05Å; Q474-N478 PolarHBondContact O-ND2 2.79Å; Q474-N478 PolarHBondContact OE1-ND2 2.91Å; Q474-N478 VanDerWaalsContact OE1-ND2 3.13Å; E475-N478 PolarHBondContact O-N 3.38Å; N478-L481 PolarHBondContact O-N 3.37Å; N478-L482 WeakPolarHBondContact O-CB 3.39Å; N478-L482 PolarHBondContact O-N 2.95Å; N478-F496 HydrophobicContact CB-CZ 4.39Å; N478-F496 WeakPolarHBondContact O-CE2 3.38Å
479	A	96.8	Very high	96.3	Very high	48 Å²	48	43.2 Å²	43.2	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-48	176.7	0	0	0	0	0	111.3	E475 Q476 L481 L482 D483	E475-A479 WeakPolarHBondContact O-CB 3.2Å; E475-A479 PolarHBondContact O-N 3.46Å; Q476-A479 PolarHBondContact O-N 2.88Å; A479-L481 PolarHBondContact O-N 3.5Å; A479-L482 PolarHBondContact O-N 3.4Å; A479-D483 PolarHBondContact O-N 3.13Å
480	A	97.9	Very high	96	Very high	8 Å²	8	45.9 Å²	45.9	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-40.3	178	0	0	0	0	0	112.4	P302 L304 I305 Q476 V477 Y484	P302-A480 HydrophobicContact CB-CB 4.09Å; L304-A480 HydrophobicContact CB-CB 4.28Å; L304-A480 HydrophobicContact CD2-CB 4.02Å; I305-A480 HydrophobicContact CD1-CB 4.4Å; I305-A480 HydrophobicContact CG1-CB 4.05Å; Q476-A480 WeakPolarHBondContact O-CB 3.04Å; Q476-A480 PolarHBondContact O-N 3.06Å; V477-A480 PolarHBondContact O-N 3.3Å; A480-Y484 VanDerWaalsContact O-CB 3.23Å; A480-Y484 WeakPolarHBondContact O-CB 3.32Å; A480-Y484 PolarHBondContact O-N 3.06Å
481	L	98.3	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-41.8	176.4	-179	60.4	0	0	0	111.6	E447 C450 L451 L454 V477 N478 A479 Y484 T485 F496 L499	E447-L481 HydrophobicContact CB-CD1 4.17Å; E447-L481 HydrophobicContact CG-CD1 3.94Å; C450-L481 HydrophobicContact CB-CB 4.13Å; C450-L481 HydrophobicContact CB-CD1 3.94Å; C450-L481 HydrophobicContact CB-CD2 4.08Å; C450-L481 HydrophobicContact CB-CG 4.27Å; L451-L481 HydrophobicContact CD2-CD2 4.06Å; L454-L481 HydrophobicContact CD1-CD2 4.39Å; V477-L481 VanDerWaalsContact O-CB 3.3Å; V477-L481 WeakPolarHBondContact O-CB 3.39Å; V477-L481 PolarHBondContact O-N 3.39Å; N478-L481 PolarHBondContact O-N 3.37Å; A479-L481 PolarHBondContact O-N 3.5Å; L481-Y484 PolarHBondContact O-N 2.99Å; L481-T485 HydrophobicContact CD1-CG2 4.1Å; L481-T485 HydrophobicContact CG-CG2 4.49Å; L481-T485 VanDerWaalsContact O-CG2 3.29Å; L481-T485 WeakPolarHBondContact O-CG2 3.47Å; L481-T485 PolarHBondContact O-N 3.27Å; L481-T485 PolarHBondContact O-OG1 3.17Å; L481-T485 VanDerWaalsContact O-OG1 3.1Å; L481-F496 HydrophobicContact CB-CD2 4.4Å; L481-F496 HydrophobicContact CB-CE2 4.18Å; L481-F496 HydrophobicContact CD2-CD2 4.26Å; L481-F496 HydrophobicContact CD2-CE2 4.17Å; L481-F496 HydrophobicContact CG-CD2 3.99Å; L481-F496 HydrophobicContact CG-CE2 4.13Å; L481-L499 HydrophobicContact CD1-CD1 4.31Å
482	L	97	Very high	95.6	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.335	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-53.4	175.9	177.2	60.9	0	0	0	110.7	N478 A479 Y484 T485 M486 F496	N478-L482 WeakPolarHBondContact O-CB 3.39Å; N478-L482 PolarHBondContact O-N 2.95Å; A479-L482 PolarHBondContact O-N 3.4Å; L482-Y484 VanDerWaalsContact C-N 3.3Å; L482-Y484 PolarHBondContact O-N 3.4Å; L482-T485 PolarHBondContact O-N 2.95Å; L482-T485 PolarHBondContact O-OG1 3.45Å; L482-M486 HydrophobicContact CD1-CG 4.04Å; L482-M486 HydrophobicContact CD1-SD 3.87Å; L482-M486 HydrophobicContact CG-SD 4.05Å; L482-M486 WeakPolarHBondContact O-CG 3.32Å; L482-M486 PolarHBondContact O-N 3.43Å; L482-F496 HydrophobicContact CB-CD2 3.84Å; L482-F496 HydrophobicContact CB-CE2 3.84Å; L482-F496 HydrophobicContact CB-CG 4.24Å; L482-F496 HydrophobicContact CB-CZ 4.23Å; L482-F496 HydrophobicContact CD1-CB 3.89Å; L482-F496 HydrophobicContact CD1-CD1 3.86Å; L482-F496 HydrophobicContact CD1-CD2 4.17Å; L482-F496 HydrophobicContact CD1-CE1 4.44Å; L482-F496 HydrophobicContact CD1-CG 3.7Å
483	D	93.3	Very high	95.3	Very high	91 Å²	91	57.9 Å²	57.9	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-45.8	178.2	-71.6	-8.7	0	0	0	111.3	P302 A479 M486 C487	P302-D483 HydrophobicContact CG-CB 4.19Å; A479-D483 PolarHBondContact O-N 3.13Å; D483-M486 PolarHBondContact O-N 3.15Å; D483-C487 WeakPolarHBondContact O-CB 3.38Å; D483-C487 PolarHBondContact O-N 3.3Å; D483-C487 PolarHBondContact O-SG 3.45Å; D483-C487 VanDerWaalsContact O-SG 3.33Å
484	Y	96.8	Very high	95.1	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-49.2	178.1	176.8	-98.6	0	0	0	112	I301 I305 D444 R446 E447 A480 L481 L482 C487 N488 Y489	I301-Y484 HydrophobicContact CG1-CE2 4.13Å; I301-Y484 HydrophobicContact CG2-CD2 4.35Å; I301-Y484 HydrophobicContact CG2-CE2 4.48Å; I305-Y484 HydrophobicContact CD1-CD2 4.22Å; I305-Y484 HydrophobicContact CD1-CG 3.87Å; D444-Y484 WeakPolarHBondContact OD2-CE1 3.36Å; D444-Y484 PolarHBondContact OD2-OH 2.97Å; R446-Y484 HydrophobicContact CB-CD1 4.35Å; R446-Y484 HydrophobicContact CB-CE1 3.84Å; R446-Y484 HydrophobicContact CB-CE2 4.01Å; R446-Y484 HydrophobicContact CG-CE2 3.97Å; R446-Y484 VanDerWaalsContact CZ-OH 3.3Å; R446-Y484 PolarHBondContact NE-OH 3.37Å; R446-Y484 PolarHBondContact NH2-OH 3.39Å; E447-Y484 HydrophobicContact CG-CD1 4.02Å; E447-Y484 HydrophobicContact CG-CE1 3.75Å; A480-Y484 VanDerWaalsContact O-CB 3.23Å; A480-Y484 WeakPolarHBondContact O-CB 3.32Å; A480-Y484 PolarHBondContact O-N 3.06Å; L481-Y484 PolarHBondContact O-N 2.99Å; L482-Y484 VanDerWaalsContact C-N 3.3Å; L482-Y484 PolarHBondContact O-N 3.4Å; Y484-C487 PolarHBondContact O-N 2.97Å; Y484-N488 WeakPolarHBondContact CD2-ND2 3.45Å; Y484-N488 HydrophobicContact CE2-CB 4.15Å; Y484-N488 VanDerWaalsContact CE2-CG 3.49Å; Y484-N488 VanDerWaalsContact CE2-ND2 3.34Å; Y484-N488 WeakPolarHBondContact CE2-ND2 3.47Å; Y484-N488 VanDerWaalsContact O-CB 3.29Å; Y484-N488 WeakPolarHBondContact O-CB 3.25Å; Y484-N488 PolarHBondContact O-N 3.09Å; Y484-N488 PolarHBondContact O-ND2 3.24Å; Y484-Y489 AromaticContact CE1-CE2 3.94Å; Y484-Y489 HydrophobicContact CE1-CE2 3.94Å
485	T	95.7	Very high	95	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-40.2	-179.4	56.5	0	0	0	0	112.3	L481 L482 Y489 K495 L499	L481-T485 HydrophobicContact CD1-CG2 4.1Å; L481-T485 HydrophobicContact CG-CG2 4.49Å; L481-T485 VanDerWaalsContact O-CG2 3.29Å; L481-T485 WeakPolarHBondContact O-CG2 3.47Å; L481-T485 PolarHBondContact O-N 3.27Å; L481-T485 PolarHBondContact O-OG1 3.17Å; L481-T485 VanDerWaalsContact O-OG1 3.1Å; L482-T485 PolarHBondContact O-N 2.95Å; L482-T485 PolarHBondContact O-OG1 3.45Å; T485-Y489 CarbonylContact O-C 3.6Å; T485-Y489 WeakPolarHBondContact O-CA 3.42Å; T485-Y489 WeakPolarHBondContact O-CB 3.38Å; T485-Y489 PolarHBondContact O-N 3.33Å; T485-K495 HydrophobicContact CG2-CD 4.36Å; T485-K495 HydrophobicContact CG2-CG 4.4Å; T485-L499 HydrophobicContact CG2-CD1 3.97Å
486	M	92.4	Very high	95.1	Very high	121 Å²	121	58.1 Å²	58.1	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-41.1	177.5	-72.3	-174.9	63.3	0	0	112.4	L482 D483	L482-M486 HydrophobicContact CD1-CG 4.04Å; L482-M486 HydrophobicContact CD1-SD 3.87Å; L482-M486 HydrophobicContact CG-SD 4.05Å; L482-M486 WeakPolarHBondContact O-CG 3.32Å; L482-M486 PolarHBondContact O-N 3.43Å; D483-M486 PolarHBondContact O-N 3.15Å
487	C	92.7	Very high	95	Very high	69 Å²	69	55 Å²	55	47%	0.466	30%	0.304	S	S	.	.	H	α-helix	trans	-79.1	-37.2	-177.7	-69.8	0	0	0	0	113.4	D483 Y484	D483-C487 WeakPolarHBondContact O-CB 3.38Å; D483-C487 PolarHBondContact O-N 3.3Å; D483-C487 PolarHBondContact O-SG 3.45Å; D483-C487 VanDerWaalsContact O-SG 3.33Å; Y484-C487 PolarHBondContact O-N 2.97Å
488	N	93.8	Very high	95	Very high	41 Å²	41	58.6 Å²	58.6	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-96.3	-21.1	-172.5	-66.3	-96.1	0	0	0	112.9	A299 Y484 P490	A299-N488 HydrophobicContact CB-CB 4.42Å; A299-N488 WeakPolarHBondContact CB-OD1 3.4Å; Y484-N488 WeakPolarHBondContact CD2-ND2 3.45Å; Y484-N488 HydrophobicContact CE2-CB 4.15Å; Y484-N488 VanDerWaalsContact CE2-CG 3.49Å; Y484-N488 VanDerWaalsContact CE2-ND2 3.34Å; Y484-N488 WeakPolarHBondContact CE2-ND2 3.47Å; Y484-N488 VanDerWaalsContact O-CB 3.29Å; Y484-N488 WeakPolarHBondContact O-CB 3.25Å; Y484-N488 PolarHBondContact O-N 3.09Å; Y484-N488 PolarHBondContact O-ND2 3.24Å; N488-P490 VanDerWaalsContact C-CD 3.44Å
489	Y	93.4	Very high	95	Very high	36 Å²	36	56.8 Å²	56.8	14%	0.141	31%	0.311	C	S	.	.			trans	-130.6	56.9	178.6	-58.2	-87	0	0	0	111.6	Q442 D444 E447 Y484 T485 Q491 Q492 K495	Q442-Y489 HydrophobicContact CB-CE1 4.18Å; D444-Y489 PolarHBondContact OD2-OH 3.04Å; E447-Y489 WeakPolarHBondContact OE1-CE2 3.34Å; Y484-Y489 AromaticContact CE1-CE2 3.94Å; Y484-Y489 HydrophobicContact CE1-CE2 3.94Å; T485-Y489 CarbonylContact O-C 3.6Å; T485-Y489 WeakPolarHBondContact O-CA 3.42Å; T485-Y489 WeakPolarHBondContact O-CB 3.38Å; T485-Y489 PolarHBondContact O-N 3.33Å; Y489-Q491 PolarHBondContact O-N 2.91Å; Y489-Q492 PolarHBondContact O-N 3.49Å; Y489-K495 HydrophobicContact CD1-CD 4.29Å; Y489-K495 HydrophobicContact CD2-CD 3.85Å; Y489-K495 VanDerWaalsContact CE1-NZ 3.28Å; Y489-K495 HydrophobicContact CE2-CD 4.49Å; Y489-K495 HydrophobicContact CG-CD 3.74Å
490	P	90.6	Very high	95.1	Very high	84 Å²	84	56.9 Å²	56.9	55%	0.545	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	-174.7	25.7	-35.8	0	0	0	113.7	N488 Q492	N488-P490 VanDerWaalsContact C-CD 3.44Å; P490-Q492 VanDerWaalsContact C-N 3.33Å
491	Q	92.6	Very high	95	Very high	181 Å²	181	61.6 Å²	61.6	85%	0.846	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-12.1	176.5	-56.8	-58.2	-24.6	0	0	113.6	Y489	Y489-Q491 PolarHBondContact O-N 2.91Å
492	Q	92.2	Very high	95	Very high	54 Å²	54	63.2 Å²	63.2	25%	0.252	33%	0.334	S	S	.	.			trans	-117.6	69.2	-179.1	-58	-175.5	28.2	0	0	110	L441 Y489 P490 E494 K495	L441-Q492 PolarHBondContact O-OE1 3.07Å; Y489-Q492 PolarHBondContact O-N 3.49Å; P490-Q492 VanDerWaalsContact C-N 3.33Å; Q492-E494 PolarHBondContact O-N 2.94Å; Q492-E494 VanDerWaalsContact O-N 3.1Å; Q492-K495 HydrophobicContact CB-CB 3.86Å; Q492-K495 HydrophobicContact CB-CD 4.48Å; Q492-K495 WeakPolarHBondContact O-CB 3.29Å; Q492-K495 PolarHBondContact O-N 2.96Å
493	T	90.9	Very high	95.1	Very high	116 Å²	116	61.8 Å²	61.8	71%	0.712	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28	-174.9	57.9	0	0	0	0	113.8
494	E	93.8	Very high	95.3	Very high	123 Å²	123	61.5 Å²	61.5	58%	0.575	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.3	179.1	-59.8	-58.9	129.9	0	0	113.3	Q492 F496 G497 Q498	Q492-E494 PolarHBondContact O-N 2.94Å; Q492-E494 VanDerWaalsContact O-N 3.1Å; E494-F496 PolarHBondContact O-N 3.17Å; E494-G497 PolarHBondContact O-N 2.73Å; E494-Q498 HydrophobicContact CB-CG 4.26Å; E494-Q498 WeakPolarHBondContact O-CB 3.45Å; E494-Q498 VanDerWaalsContact O-CG 3.3Å; E494-Q498 WeakPolarHBondContact O-CG 3.45Å; E494-Q498 PolarHBondContact O-N 2.91Å
495	K	96.6	Very high	95.3	Very high	1 Å²	1	63.9 Å²	63.9	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-56.4	-47.2	-170.8	-171	176.3	-170.3	-177.1	0	112.1	L441 Q442 E447 T485 Y489 Q492 G497 Q498 L499	L441-K495 WeakPolarHBondContact O-CE 3.39Å; L441-K495 PolarHBondContact O-NZ 3Å; Q442-K495 PolarHBondContact O-NZ 3.36Å; E447-K495 VanDerWaalsContact CD-NZ 3.32Å; E447-K495 WeakPolarHBondContact OE1-CD 3.34Å; E447-K495 WeakPolarHBondContact OE1-CE 3.19Å; E447-K495 IonicContact OE1-NZ 2.71Å; E447-K495 PolarHBondContact OE1-NZ 3.29Å; E447-K495 WeakPolarHBondContact OE2-CE 3.41Å; E447-K495 IonicContact OE2-NZ 3.16Å; E447-K495 PolarHBondContact OE2-NZ 3.2Å; E447-K495 VanDerWaalsContact OE2-NZ 3.16Å; T485-K495 HydrophobicContact CG2-CD 4.36Å; T485-K495 HydrophobicContact CG2-CG 4.4Å; Y489-K495 HydrophobicContact CD1-CD 4.29Å; Y489-K495 HydrophobicContact CD2-CD 3.85Å; Y489-K495 VanDerWaalsContact CE1-NZ 3.28Å; Y489-K495 HydrophobicContact CE2-CD 4.49Å; Y489-K495 HydrophobicContact CG-CD 3.74Å; Q492-K495 HydrophobicContact CB-CB 3.86Å; Q492-K495 HydrophobicContact CB-CD 4.48Å; Q492-K495 WeakPolarHBondContact O-CB 3.29Å; Q492-K495 PolarHBondContact O-N 2.96Å; K495-G497 PolarHBondContact O-N 3.09Å; K495-Q498 CarbonylContact O-C 3.58Å; K495-Q498 PolarHBondContact O-N 3.01Å; K495-Q498 VanDerWaalsContact O-N 3.16Å; K495-L499 HydrophobicContact CG-CD1 4.19Å; K495-L499 HydrophobicContact CG-CG 4.29Å; K495-L499 VanDerWaalsContact O-CG 3.32Å; K495-L499 WeakPolarHBondContact O-CG 3.3Å; K495-L499 PolarHBondContact O-N 3.46Å
496	F	97.8	Very high	95.4	Very high	42 Å²	42	63.7 Å²	63.7	18%	0.184	34%	0.34	C	S	.	.	H	α-helix	trans	-52	-55.3	177.3	175.4	-104.7	0	0	0	112.2	N478 L481 L482 E494 Q498 L499 L500	N478-F496 HydrophobicContact CB-CZ 4.39Å; N478-F496 WeakPolarHBondContact O-CE2 3.38Å; L481-F496 HydrophobicContact CB-CD2 4.4Å; L481-F496 HydrophobicContact CB-CE2 4.18Å; L481-F496 HydrophobicContact CD2-CD2 4.26Å; L481-F496 HydrophobicContact CD2-CE2 4.17Å; L481-F496 HydrophobicContact CG-CD2 3.99Å; L481-F496 HydrophobicContact CG-CE2 4.13Å; L482-F496 HydrophobicContact CB-CD2 3.84Å; L482-F496 HydrophobicContact CB-CE2 3.84Å; L482-F496 HydrophobicContact CB-CG 4.24Å; L482-F496 HydrophobicContact CB-CZ 4.23Å; L482-F496 HydrophobicContact CD1-CB 3.89Å; L482-F496 HydrophobicContact CD1-CD1 3.86Å; L482-F496 HydrophobicContact CD1-CD2 4.17Å; L482-F496 HydrophobicContact CD1-CE1 4.44Å; L482-F496 HydrophobicContact CD1-CG 3.7Å; E494-F496 PolarHBondContact O-N 3.17Å; F496-Q498 VanDerWaalsContact C-N 3.31Å; F496-Q498 PolarHBondContact O-N 3.46Å; F496-L499 PolarHBondContact O-N 2.94Å; F496-L500 HydrophobicContact CD1-CD1 4.34Å; F496-L500 HydrophobicContact CE1-CD1 3.63Å; F496-L500 HydrophobicContact CE1-CG 4.47Å; F496-L500 HydrophobicContact CE2-CD1 4.2Å; F496-L500 HydrophobicContact CE2-CG 4.46Å; F496-L500 HydrophobicContact CZ-CD1 3.55Å; F496-L500 HydrophobicContact CZ-CG 4.28Å; F496-L500 PolarHBondContact O-N 3.22Å; F496-L500 VanDerWaalsContact O-N 3.13Å
497	G	96.8	Very high	95.7	Very high	31 Å²	31	62.3 Å²	62.3	32%	0.32	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-39.5	179.1	0	0	0	0	0	112.2	E494 K495 L499 L500 L501	E494-G497 PolarHBondContact O-N 2.73Å; K495-G497 PolarHBondContact O-N 3.09Å; G497-L499 VanDerWaalsContact C-N 3.35Å; G497-L499 PolarHBondContact O-N 3.4Å; G497-L500 PolarHBondContact O-N 2.96Å; G497-L501 VanDerWaalsContact O-CG 3.31Å; G497-L501 WeakPolarHBondContact O-CG 3.37Å; G497-L501 PolarHBondContact O-N 3.15Å
498	Q	98.1	Very high	95.9	Very high	76 Å²	76	61.1 Å²	61.1	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-35.1	177.4	-70.1	-179.5	19.6	0	0	112.8	L441 E494 K495 F496 R502	L441-Q498 HydrophobicContact CD1-CB 4.22Å; L441-Q498 HydrophobicContact CD2-CB 4.17Å; E494-Q498 HydrophobicContact CB-CG 4.26Å; E494-Q498 WeakPolarHBondContact O-CB 3.45Å; E494-Q498 VanDerWaalsContact O-CG 3.3Å; E494-Q498 WeakPolarHBondContact O-CG 3.45Å; E494-Q498 PolarHBondContact O-N 2.91Å; K495-Q498 CarbonylContact O-C 3.58Å; K495-Q498 PolarHBondContact O-N 3.01Å; K495-Q498 VanDerWaalsContact O-N 3.16Å; F496-Q498 VanDerWaalsContact C-N 3.31Å; F496-Q498 PolarHBondContact O-N 3.46Å; Q498-R502 WeakPolarHBondContact O-CG 3.31Å; Q498-R502 PolarHBondContact O-NH1 3.31Å
499	L	98.1	Very high	96.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-46.5	173.4	-70.1	173.8	0	0	0	111.2	L438 L441 F443 E447 L481 T485 K495 F496 G497 L501 R502	L438-L499 HydrophobicContact CD2-CD2 4.38Å; L441-L499 HydrophobicContact CD1-CD2 4.16Å; F443-L499 HydrophobicContact CD2-CD2 3.49Å; F443-L499 VanDerWaalsContact CD2-CD2 3.49Å; F443-L499 HydrophobicContact CE2-CD2 3.87Å; F443-L499 HydrophobicContact CG-CD2 4.44Å; E447-L499 HydrophobicContact CB-CD1 4.1Å; E447-L499 HydrophobicContact CG-CD1 3.95Å; L481-L499 HydrophobicContact CD1-CD1 4.31Å; T485-L499 HydrophobicContact CG2-CD1 3.97Å; K495-L499 HydrophobicContact CG-CD1 4.19Å; K495-L499 HydrophobicContact CG-CG 4.29Å; K495-L499 VanDerWaalsContact O-CG 3.32Å; K495-L499 WeakPolarHBondContact O-CG 3.3Å; K495-L499 PolarHBondContact O-N 3.46Å; F496-L499 PolarHBondContact O-N 2.94Å; G497-L499 VanDerWaalsContact C-N 3.35Å; G497-L499 PolarHBondContact O-N 3.4Å; L499-L501 VanDerWaalsContact C-N 3.25Å; L499-L501 PolarHBondContact O-N 3.42Å; L499-R502 VanDerWaalsContact O-CB 3.27Å; L499-R502 WeakPolarHBondContact O-CB 3.45Å; L499-R502 PolarHBondContact O-N 3Å
500	L	97.8	Very high	96.3	Very high	49 Å²	49	58 Å²	58	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-33.8	178	-64.2	-172.6	0	0	0	112.5	L451 L454 F496 G497 R502 L503 P504	L451-L500 HydrophobicContact CD2-CD2 4.47Å; L454-L500 HydrophobicContact CD1-CD2 3.71Å; F496-L500 HydrophobicContact CD1-CD1 4.34Å; F496-L500 HydrophobicContact CE1-CD1 3.63Å; F496-L500 HydrophobicContact CE1-CG 4.47Å; F496-L500 HydrophobicContact CE2-CD1 4.2Å; F496-L500 HydrophobicContact CE2-CG 4.46Å; F496-L500 HydrophobicContact CZ-CD1 3.55Å; F496-L500 HydrophobicContact CZ-CG 4.28Å; F496-L500 PolarHBondContact O-N 3.22Å; F496-L500 VanDerWaalsContact O-N 3.13Å; G497-L500 PolarHBondContact O-N 2.96Å; L500-R502 PolarHBondContact O-N 2.89Å; L500-L503 HydrophobicContact CD2-CD1 4.17Å; L500-L503 WeakPolarHBondContact O-CB 3.46Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-L503 VanDerWaalsContact O-N 3.16Å; L500-P504 VanDerWaalsContact O-CD 3.3Å; L500-P504 WeakPolarHBondContact O-CD 3.45Å
501	L	97.5	Very high	96.6	Very high	107 Å²	107	58.7 Å²	58.7	56%	0.56	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-12.9	174.5	-72.2	172.5	0	0	0	113.8	G497 L499 P504	G497-L501 VanDerWaalsContact O-CG 3.31Å; G497-L501 WeakPolarHBondContact O-CG 3.37Å; G497-L501 PolarHBondContact O-N 3.15Å; L499-L501 VanDerWaalsContact C-N 3.25Å; L499-L501 PolarHBondContact O-N 3.42Å; L501-P504 WeakPolarHBondContact O-CD 3.44Å
502	R	98	Very high	96.7	Very high	34 Å²	34	53.1 Å²	53.1	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-79.7	-25.1	173	-52.7	-64.8	78.2	97.8	-8.9	112.4	L434 L438 Q498 L499 L500 E505 I506	L434-R502 HydrophobicContact CD1-CB 4.2Å; L434-R502 HydrophobicContact CD1-CG 4.33Å; L438-R502 HydrophobicContact CD2-CB 4.44Å; L438-R502 HydrophobicContact CD2-CG 3.83Å; Q498-R502 WeakPolarHBondContact O-CG 3.31Å; Q498-R502 PolarHBondContact O-NH1 3.31Å; L499-R502 VanDerWaalsContact O-CB 3.27Å; L499-R502 WeakPolarHBondContact O-CB 3.45Å; L499-R502 PolarHBondContact O-N 3Å; L500-R502 PolarHBondContact O-N 2.89Å; R502-E505 IonicContact CZ-OE1 3.17Å; R502-E505 IonicContact NE-OE1 2.79Å; R502-E505 PolarHBondContact NE-OE1 3.17Å; R502-E505 IonicContact NH2-OE1 2.66Å; R502-E505 PolarHBondContact NH2-OE1 3.37Å; R502-E505 WeakPolarHBondContact O-CB 2.99Å; R502-E505 PolarHBondContact O-N 2.96Å; R502-E505 VanDerWaalsContact O-N 3.09Å; R502-I506 WeakPolarHBondContact O-CG1 3.5Å; R502-I506 PolarHBondContact O-N 3.25Å
503	L	97.8	Very high	96.9	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.183	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-45.4	-179.9	-64.2	173.2	0	0	0	112.6	L451 L454 V455 L500 E505 I506 R507	L451-L503 HydrophobicContact CB-CD2 4.27Å; L451-L503 HydrophobicContact CD1-CD2 4.38Å; L451-L503 HydrophobicContact CD2-CD1 4.46Å; L451-L503 HydrophobicContact CD2-CD2 4.27Å; L451-L503 HydrophobicContact CD2-CG 4.43Å; L454-L503 HydrophobicContact CB-CD1 4.32Å; L454-L503 HydrophobicContact CD1-CD1 4.34Å; V455-L503 HydrophobicContact CG2-CD2 3.64Å; L500-L503 HydrophobicContact CD2-CD1 4.17Å; L500-L503 WeakPolarHBondContact O-CB 3.46Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-L503 VanDerWaalsContact O-N 3.16Å; L503-E505 VanDerWaalsContact C-N 3.32Å; L503-E505 PolarHBondContact O-N 3.48Å; L503-I506 HydrophobicContact CD2-CD1 4.34Å; L503-I506 PolarHBondContact O-N 3.27Å; L503-R507 PolarHBondContact O-N 3.12Å
504	P	97.6	Very high	97.1	Very high	84 Å²	84	47 Å²	47	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-33.9	172.7	-24.4	34.7	0	0	0	114.2	L500 L501 R507 A508	L500-P504 VanDerWaalsContact O-CD 3.3Å; L500-P504 WeakPolarHBondContact O-CD 3.45Å; L501-P504 WeakPolarHBondContact O-CD 3.44Å; P504-R507 PolarHBondContact O-N 3.28Å; P504-A508 WeakPolarHBondContact O-CB 3.39Å; P504-A508 PolarHBondContact O-N 2.99Å
505	E	97.7	Very high	97	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-43.8	176.1	-68.5	178.2	-106.8	0	0	110.7	L434 K437 R502 L503 R507 A508 I509	L434-E505 HydrophobicContact CD1-CB 4.32Å; L434-E505 HydrophobicContact CD2-CB 4.21Å; K437-E505 IonicContact NZ-OE2 2.62Å; K437-E505 PolarHBondContact NZ-OE2 2.87Å; R502-E505 IonicContact CZ-OE1 3.17Å; R502-E505 IonicContact NE-OE1 2.79Å; R502-E505 PolarHBondContact NE-OE1 3.17Å; R502-E505 IonicContact NH2-OE1 2.66Å; R502-E505 PolarHBondContact NH2-OE1 3.37Å; R502-E505 WeakPolarHBondContact O-CB 2.99Å; R502-E505 PolarHBondContact O-N 2.96Å; R502-E505 VanDerWaalsContact O-N 3.09Å; L503-E505 VanDerWaalsContact C-N 3.32Å; L503-E505 PolarHBondContact O-N 3.48Å; E505-R507 VanDerWaalsContact C-N 3.34Å; E505-R507 PolarHBondContact O-N 3.28Å; E505-A508 PolarHBondContact O-N 2.93Å; E505-I509 WeakPolarHBondContact O-CG1 3.27Å; E505-I509 PolarHBondContact O-N 3.39Å
506	I	98.4	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-48.1	173.1	-67.7	160.9	0	0	0	110.4	E384 I387 L388 I391 L434 R502 L503 A508 I509 S510	E384-I506 HydrophobicContact CB-CG2 4.4Å; I387-I506 HydrophobicContact CG2-CG2 4.2Å; L388-I506 HydrophobicContact CB-CG2 4.37Å; L388-I506 HydrophobicContact CD1-CD1 3.82Å; I391-I506 HydrophobicContact CD1-CG1 4.08Å; L434-I506 HydrophobicContact CD2-CG1 3.8Å; R502-I506 WeakPolarHBondContact O-CG1 3.5Å; R502-I506 PolarHBondContact O-N 3.25Å; L503-I506 HydrophobicContact CD2-CD1 4.34Å; L503-I506 PolarHBondContact O-N 3.27Å; I506-A508 VanDerWaalsContact C-N 3.32Å; I506-A508 PolarHBondContact O-N 3.16Å; I506-I509 PolarHBondContact O-N 3.41Å; I506-S510 PolarHBondContact O-N 2.86Å
507	R	97.8	Very high	96.6	Very high	92 Å²	92	47.2 Å²	47.2	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-38.2	177.8	-173	170.3	-178.4	175.8	5.9	112.7	E384 D460 L503 P504 E505 S510 M511	E384-R507 HydrophobicContact CG-CB 4.46Å; E384-R507 IonicContact OE1-NE 3.98Å; D460-R507 IonicContact OD2-CZ 3.98Å; D460-R507 IonicContact OD2-NH1 3.95Å; D460-R507 PolarHBondContact OD2-NH1 2.86Å; D460-R507 IonicContact OD2-NH2 3.06Å; L503-R507 PolarHBondContact O-N 3.12Å; P504-R507 PolarHBondContact O-N 3.28Å; E505-R507 VanDerWaalsContact C-N 3.34Å; E505-R507 PolarHBondContact O-N 3.28Å; R507-S510 WeakPolarHBondContact CA-OG 3.41Å; R507-S510 PolarHBondContact O-N 3.07Å; R507-S510 PolarHBondContact O-OG 3.11Å; R507-M511 HydrophobicContact CG-SD 4.43Å; R507-M511 WeakPolarHBondContact O-CB 3.23Å; R507-M511 VanDerWaalsContact O-CG 3.25Å; R507-M511 WeakPolarHBondContact O-CG 3.47Å; R507-M511 PolarHBondContact O-N 3.46Å
508	A	97.4	Very high	96.4	Very high	45 Å²	45	49.3 Å²	49.3	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-38.4	176.7	0	0	0	0	0	112.4	P504 E505 I506 Q512	P504-A508 WeakPolarHBondContact O-CB 3.39Å; P504-A508 PolarHBondContact O-N 2.99Å; E505-A508 PolarHBondContact O-N 2.93Å; I506-A508 VanDerWaalsContact C-N 3.32Å; I506-A508 PolarHBondContact O-N 3.16Å; A508-Q512 WeakPolarHBondContact O-CG 3.43Å; A508-Q512 PolarHBondContact O-N 3.08Å; A508-Q512 PolarHBondContact O-NE2 3.36Å
509	I	97.9	Very high	96	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-43.4	175.4	-64.8	167	0	0	0	110.3	I387 L427 H430 L434 E505 I506 M511 Q512 A513	I387-I509 HydrophobicContact CD1-CG2 4.23Å; I387-I509 HydrophobicContact CG1-CG2 4.5Å; I387-I509 HydrophobicContact CG2-CB 4.23Å; I387-I509 HydrophobicContact CG2-CG2 3.86Å; L427-I509 HydrophobicContact CD2-CG2 4.02Å; H430-I509 HydrophobicContact CB-CD1 4.22Å; H430-I509 HydrophobicContact CB-CG1 4.1Å; L434-I509 HydrophobicContact CB-CD1 4.42Å; L434-I509 HydrophobicContact CD2-CD1 3.77Å; E505-I509 WeakPolarHBondContact O-CG1 3.27Å; E505-I509 PolarHBondContact O-N 3.39Å; I506-I509 PolarHBondContact O-N 3.41Å; I509-M511 PolarHBondContact O-N 3.12Å; I509-Q512 PolarHBondContact O-N 2.95Å; I509-A513 WeakPolarHBondContact O-CB 3.27Å; I509-A513 PolarHBondContact O-N 3.42Å
510	S	97.7	Very high	95.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-41.9	179.5	74	0	0	0	0	112.1	E384 I506 R507 Q512 A513 E514	E384-S510 WeakPolarHBondContact CG-OG 3.41Å; I506-S510 PolarHBondContact O-N 2.86Å; R507-S510 WeakPolarHBondContact CA-OG 3.41Å; R507-S510 PolarHBondContact O-N 3.07Å; R507-S510 PolarHBondContact O-OG 3.11Å; S510-Q512 PolarHBondContact O-N 3.41Å; S510-A513 WeakPolarHBondContact O-CB 3.38Å; S510-A513 PolarHBondContact O-N 3.25Å; S510-A513 VanDerWaalsContact O-N 3.17Å; S510-E514 WeakPolarHBondContact O-CG 3.32Å; S510-E514 PolarHBondContact O-N 3.21Å
511	M	96	Very high	95.2	Very high	98 Å²	98	53.7 Å²	53.7	48%	0.483	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-43.6	175.2	-73.6	179.1	67.5	0	0	112.3	R507 I509 A513 E514 E515	R507-M511 HydrophobicContact CG-SD 4.43Å; R507-M511 WeakPolarHBondContact O-CB 3.23Å; R507-M511 VanDerWaalsContact O-CG 3.25Å; R507-M511 WeakPolarHBondContact O-CG 3.47Å; R507-M511 PolarHBondContact O-N 3.46Å; I509-M511 PolarHBondContact O-N 3.12Å; M511-A513 VanDerWaalsContact C-N 3.33Å; M511-E514 PolarHBondContact O-N 3.17Å; M511-E515 WeakPolarHBondContact O-CG 3.34Å; M511-E515 PolarHBondContact O-N 3.11Å
512	Q	95.7	Very high	94.7	Very high	64 Å²	64	53.8 Å²	53.8	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-37.5	175.9	-74.1	171.9	58.5	0	0	111.8	L427 A508 I509 S510 E515 Y516	L427-Q512 HydrophobicContact CD2-CB 3.46Å; L427-Q512 VanDerWaalsContact CD2-CB 3.46Å; L427-Q512 HydrophobicContact CG-CB 4.24Å; A508-Q512 WeakPolarHBondContact O-CG 3.43Å; A508-Q512 PolarHBondContact O-N 3.08Å; A508-Q512 PolarHBondContact O-NE2 3.36Å; I509-Q512 PolarHBondContact O-N 2.95Å; S510-Q512 PolarHBondContact O-N 3.41Å; Q512-E515 PolarHBondContact O-N 2.63Å; Q512-Y516 WeakPolarHBondContact O-CB 3.4Å; Q512-Y516 PolarHBondContact O-N 3.05Å
513	A	95.3	Very high	94.2	Very high	27 Å²	27	56.3 Å²	56.3	22%	0.223	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-40.1	176.1	0	0	0	0	0	111.7	I387 L427 I509 S510 M511 Y516 L517	I387-A513 HydrophobicContact CD1-CB 4.28Å; L427-A513 HydrophobicContact CD1-CB 4.42Å; L427-A513 HydrophobicContact CD2-CB 4.37Å; I509-A513 WeakPolarHBondContact O-CB 3.27Å; I509-A513 PolarHBondContact O-N 3.42Å; S510-A513 WeakPolarHBondContact O-CB 3.38Å; S510-A513 PolarHBondContact O-N 3.25Å; S510-A513 VanDerWaalsContact O-N 3.17Å; M511-A513 VanDerWaalsContact C-N 3.33Å; A513-Y516 PolarHBondContact O-N 2.73Å; A513-L517 VanDerWaalsContact O-CB 3.31Å; A513-L517 WeakPolarHBondContact O-CB 3.35Å; A513-L517 PolarHBondContact O-N 2.8Å
514	E	94.7	Very high	93.5	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-43.6	173.6	-74.2	173.8	-144.9	0	0	112.2	W382 S383 S510 M511 L517 Y518 L536 K539	W382-E514 HydrophobicContact CH2-CG 4.14Å; W382-E514 HydrophobicContact CZ2-CG 4.02Å; S383-E514 VanDerWaalsContact CB-OE1 3.28Å; S383-E514 WeakPolarHBondContact CB-OE1 3.34Å; S383-E514 PolarHBondContact OG-OE1 2.98Å; S510-E514 WeakPolarHBondContact O-CG 3.32Å; S510-E514 PolarHBondContact O-N 3.21Å; M511-E514 PolarHBondContact O-N 3.17Å; E514-L517 PolarHBondContact O-N 3.12Å; E514-Y518 VanDerWaalsContact O-CB 3.23Å; E514-Y518 WeakPolarHBondContact O-CB 3.13Å; E514-Y518 PolarHBondContact O-N 3.39Å; E514-L536 HydrophobicContact CB-CD1 4.28Å; E514-L536 HydrophobicContact CG-CD1 4.49Å; E514-K539 WeakPolarHBondContact OE1-CE 3.25Å; E514-K539 IonicContact OE1-NZ 2.62Å; E514-K539 PolarHBondContact OE1-NZ 2.87Å; E514-K539 IonicContact OE2-NZ 2.74Å
515	E	93.4	Very high	92.6	Very high	120 Å²	120	55.8 Å²	55.8	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-62.7	-43.7	175.5	-74.4	-178.1	169	0	0	111.8	M511 Q512 Y518 Y519	M511-E515 WeakPolarHBondContact O-CG 3.34Å; M511-E515 PolarHBondContact O-N 3.11Å; Q512-E515 PolarHBondContact O-N 2.63Å; E515-Y518 PolarHBondContact O-N 2.82Å; E515-Y519 WeakPolarHBondContact O-CB 3.01Å; E515-Y519 PolarHBondContact O-N 3.35Å
516	Y	92.3	Very high	91.9	Very high	31 Å²	31	53.4 Å²	53.4	12%	0.122	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-45.9	176.5	-179.7	-108.7	0	0	0	112	F342 T423 L424 L427 Q512 A513 Y518 Y519 K520	F342-Y516 HydrophobicContact CD2-CE1 4.34Å; F342-Y516 HydrophobicContact CE2-CD1 4.46Å; F342-Y516 AromaticContact CE2-CE1 3.75Å; F342-Y516 HydrophobicContact CE2-CE1 3.75Å; T423-Y516 HydrophobicContact CG2-CD2 3.66Å; T423-Y516 HydrophobicContact CG2-CE2 4.48Å; T423-Y516 HydrophobicContact CG2-CG 4.2Å; L424-Y516 HydrophobicContact CB-CE1 4.33Å; L424-Y516 HydrophobicContact CD1-CE1 4.45Å; L427-Y516 HydrophobicContact CD1-CG 4.49Å; Q512-Y516 WeakPolarHBondContact O-CB 3.4Å; Q512-Y516 PolarHBondContact O-N 3.05Å; A513-Y516 PolarHBondContact O-N 2.73Å; Y516-Y518 VanDerWaalsContact C-N 3.33Å; Y516-Y518 PolarHBondContact O-N 3.2Å; Y516-Y519 PolarHBondContact O-N 2.9Å; Y516-K520 HydrophobicContact CE1-CG 4.23Å; Y516-K520 HydrophobicContact CE2-CG 4.26Å; Y516-K520 WeakPolarHBondContact O-CG 3.36Å; Y516-K520 PolarHBondContact O-N 3.02Å; Y516-K520 WeakPolarHBondContact OH-CE 3.49Å
517	L	92.9	Very high	90.8	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-42.1	176.6	-178.9	64	0	0	0	111.3	F342 W382 A513 E514 K520 H521 V526 L532 L536	F342-L517 HydrophobicContact CZ-CD1 4.16Å; W382-L517 HydrophobicContact CH2-CD2 4.2Å; A513-L517 VanDerWaalsContact O-CB 3.31Å; A513-L517 WeakPolarHBondContact O-CB 3.35Å; A513-L517 PolarHBondContact O-N 2.8Å; E514-L517 PolarHBondContact O-N 3.12Å; L517-K520 PolarHBondContact O-N 3.24Å; L517-H521 WeakPolarHBondContact O-CB 3.34Å; L517-H521 PolarHBondContact O-N 3.02Å; L517-V526 HydrophobicContact CD1-CG1 4.38Å; L517-V526 HydrophobicContact CD1-CG2 3.87Å; L517-L532 HydrophobicContact CD1-CD2 4.38Å; L517-L532 HydrophobicContact CD2-CD1 3.97Å; L517-L532 HydrophobicContact CD2-CD2 4.07Å; L517-L532 HydrophobicContact CD2-CG 3.91Å; L517-L536 HydrophobicContact CD2-CD1 4.45Å; L517-L536 HydrophobicContact CD2-CD2 4.02Å; L517-L536 HydrophobicContact CG-CD2 3.93Å
518	Y	91.7	Very high	89.6	Confident	74 Å²	74	57.6 Å²	57.6	29%	0.29	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-44	177.4	-175.9	-108.3	0	0	0	112.4	E514 E515 Y516 K520 H521 L522 L536	E514-Y518 VanDerWaalsContact O-CB 3.23Å; E514-Y518 WeakPolarHBondContact O-CB 3.13Å; E514-Y518 PolarHBondContact O-N 3.39Å; E515-Y518 PolarHBondContact O-N 2.82Å; Y516-Y518 VanDerWaalsContact C-N 3.33Å; Y516-Y518 PolarHBondContact O-N 3.2Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.39Å; Y518-H521 WeakPolarHBondContact O-CB 3.38Å; Y518-H521 PolarHBondContact O-N 2.93Å; Y518-H521 VanDerWaalsContact O-N 3.17Å; Y518-L522 HydrophobicContact CD1-CD1 4.05Å; Y518-L522 HydrophobicContact CD1-CG 4.42Å; Y518-L522 HydrophobicContact CE1-CD1 3.54Å; Y518-L522 HydrophobicContact CE1-CD2 4.45Å; Y518-L522 HydrophobicContact CE1-CG 4.05Å; Y518-L522 HydrophobicContact CE2-CD2 4.38Å; Y518-L522 HydrophobicContact CE2-CG 4.46Å; Y518-L522 WeakPolarHBondContact O-CG 3.3Å; Y518-L522 PolarHBondContact O-N 3.27Å; Y518-L536 HydrophobicContact CD2-CD2 4.23Å
519	Y	90.9	Very high	88.2	Confident	138 Å²	138	63 Å²	63	54%	0.541	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-44.8	173.6	171.4	-101.7	0	0	0	111.5	E515 Y516 H521 L522 N523	E515-Y519 WeakPolarHBondContact O-CB 3.01Å; E515-Y519 PolarHBondContact O-N 3.35Å; Y516-Y519 PolarHBondContact O-N 2.9Å; Y519-H521 VanDerWaalsContact C-N 3.35Å; Y519-L522 PolarHBondContact O-N 3.44Å; Y519-N523 VanDerWaalsContact CE1-ND2 3.3Å; Y519-N523 WeakPolarHBondContact CE1-ND2 3.2Å; Y519-N523 PolarHBondContact O-N 3.48Å; Y519-N523 PolarHBondContact O-ND2 2.99Å
520	K	89.3	Confident	87.5	Confident	47 Å²	47	63 Å²	63	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-38.2	176	-74.3	-65.8	-169.4	-177.9	0	112.8	F342 Y516 L517 Y518 N523 G524 D525 V526	F342-K520 HydrophobicContact CE1-CB 3.62Å; F342-K520 HydrophobicContact CE1-CD 4.28Å; F342-K520 HydrophobicContact CE1-CG 3.93Å; F342-K520 HydrophobicContact CE2-CB 4.36Å; F342-K520 HydrophobicContact CE2-CG 4.01Å; F342-K520 HydrophobicContact CZ-CB 3.42Å; F342-K520 VanDerWaalsContact CZ-CB 3.42Å; F342-K520 HydrophobicContact CZ-CD 4.31Å; F342-K520 HydrophobicContact CZ-CG 3.54Å; Y516-K520 HydrophobicContact CE1-CG 4.23Å; Y516-K520 HydrophobicContact CE2-CG 4.26Å; Y516-K520 WeakPolarHBondContact O-CG 3.36Å; Y516-K520 PolarHBondContact O-N 3.02Å; Y516-K520 WeakPolarHBondContact OH-CE 3.49Å; L517-K520 PolarHBondContact O-N 3.24Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.39Å; K520-N523 PolarHBondContact O-N 3.05Å; K520-G524 PolarHBondContact O-N 2.84Å; K520-D525 HydrophobicContact CB-CB 4.28Å; K520-D525 HydrophobicContact CD-CB 4.01Å; K520-D525 WeakPolarHBondContact CD-OD2 3.5Å; K520-D525 IonicContact NZ-OD2 2.83Å; K520-D525 PolarHBondContact NZ-OD2 2.88Å; K520-D525 WeakPolarHBondContact O-CB 3.16Å; K520-D525 PolarHBondContact O-N 3.13Å; K520-V526 HydrophobicContact CB-CG2 3.97Å
521	H	88.6	Confident	87.2	Confident	32 Å²	32	64.4 Å²	64.4	15%	0.148	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.4	176	67.4	0	0	0	111.9	L517 Y518 Y519 N523 G524 V526 I533 H537	L517-H521 WeakPolarHBondContact O-CB 3.34Å; L517-H521 PolarHBondContact O-N 3.02Å; Y518-H521 WeakPolarHBondContact O-CB 3.38Å; Y518-H521 PolarHBondContact O-N 2.93Å; Y518-H521 VanDerWaalsContact O-N 3.17Å; Y519-H521 VanDerWaalsContact C-N 3.35Å; H521-N523 PolarHBondContact O-N 2.96Å; H521-G524 PolarHBondContact O-N 3.02Å; H521-V526 HydrophobicContact CB-CB 4.23Å; H521-V526 HydrophobicContact CB-CG2 3.88Å; H521-I533 HydrophobicContact CB-CD1 4.2Å; H521-H537 AromaticContact CD2-CE1 3.96Å; H521-H537 AromaticContact CE1-NE2 3.99Å; H521-H537 AromaticContact NE2-CE1 3.56Å; H521-H537 AromaticContact NE2-NE2 3.43Å; H521-H537 PolarHBondContact NE2-NE2 3.09Å
522	L	87.9	Confident	87.1	Confident	110 Å²	110	59.9 Å²	59.9	58%	0.576	30%	0.297	S	S	*	.	H	α-helix	trans	-61.5	-28.4	177.1	-69.5	180	0	0	0	113.4	Y518 Y519 G524	Y518-L522 HydrophobicContact CD1-CD1 4.05Å; Y518-L522 HydrophobicContact CD1-CG 4.42Å; Y518-L522 HydrophobicContact CE1-CD1 3.54Å; Y518-L522 HydrophobicContact CE1-CD2 4.45Å; Y518-L522 HydrophobicContact CE1-CG 4.05Å; Y518-L522 HydrophobicContact CE2-CD2 4.38Å; Y518-L522 HydrophobicContact CE2-CG 4.46Å; Y518-L522 WeakPolarHBondContact O-CG 3.3Å; Y518-L522 PolarHBondContact O-N 3.27Å; Y519-L522 PolarHBondContact O-N 3.44Å; L522-G524 VanDerWaalsContact C-N 3.3Å
523	N	87.1	Confident	86.9	Confident	86 Å²	86	57.4 Å²	57.4	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1	176.3	-66.2	-39.9	0	0	0	113.7	Y519 K520 H521 D525	Y519-N523 VanDerWaalsContact CE1-ND2 3.3Å; Y519-N523 WeakPolarHBondContact CE1-ND2 3.2Å; Y519-N523 PolarHBondContact O-N 3.48Å; Y519-N523 PolarHBondContact O-ND2 2.99Å; K520-N523 PolarHBondContact O-N 3.05Å; H521-N523 PolarHBondContact O-N 2.96Å; N523-D525 VanDerWaalsContact C-N 3.32Å
524	G	82.8	Confident	86.7	Confident	39 Å²	39	62 Å²	62	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	11.4	-177.7	0	0	0	0	0	114.6	K520 H521 L522 V526	K520-G524 PolarHBondContact O-N 2.84Å; H521-G524 PolarHBondContact O-N 3.02Å; L522-G524 VanDerWaalsContact C-N 3.3Å; G524-V526 VanDerWaalsContact C-N 3.34Å
525	D	80.3	Confident	86.7	Confident	70 Å²	70	62 Å²	62	37%	0.374	30%	0.303	S	S	.	.			trans	-79.3	-16.3	-178.5	-71.8	-23.4	0	0	0	112.9	F342 K520 N523	F342-D525 HydrophobicContact CD1-CB 4.19Å; F342-D525 HydrophobicContact CE1-CB 4.12Å; K520-D525 HydrophobicContact CB-CB 4.28Å; K520-D525 HydrophobicContact CD-CB 4.01Å; K520-D525 WeakPolarHBondContact CD-OD2 3.5Å; K520-D525 IonicContact NZ-OD2 2.83Å; K520-D525 PolarHBondContact NZ-OD2 2.88Å; K520-D525 WeakPolarHBondContact O-CB 3.16Å; K520-D525 PolarHBondContact O-N 3.13Å; N523-D525 VanDerWaalsContact C-N 3.32Å
526	V	81.3	Confident	86.7	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	28%	0.276	C	S	.	.	S	Bend	trans	-96.3	130.5	-176.6	-173.5	0	0	0	0	110.2	F342 C346 L517 K520 H521 G524 Y528 I533	F342-V526 HydrophobicContact CE1-CG2 3.7Å; F342-V526 HydrophobicContact CZ-CG2 4.04Å; C346-V526 HydrophobicContact CB-CG1 4.42Å; L517-V526 HydrophobicContact CD1-CG1 4.38Å; L517-V526 HydrophobicContact CD1-CG2 3.87Å; K520-V526 HydrophobicContact CB-CG2 3.97Å; H521-V526 HydrophobicContact CB-CB 4.23Å; H521-V526 HydrophobicContact CB-CG2 3.88Å; G524-V526 VanDerWaalsContact C-N 3.34Å; V526-Y528 PolarHBondContact O-N 3.15Å; V526-I533 HydrophobicContact CB-CD1 4.17Å; V526-I533 HydrophobicContact CG1-CD1 3.49Å; V526-I533 VanDerWaalsContact CG1-CD1 3.49Å; V526-I533 HydrophobicContact CG1-CG1 3.73Å
527	P	76.6	Confident	86.5	Confident	23 Å²	23	58.9 Å²	58.9	15%	0.149	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-54.9	137.5	175.3	-24.9	33.9	0	0	0	112.3	L339 N530	L339-P527 HydrophobicContact CD2-CG 4.48Å; P527-N530 PolarHBondContact O-ND2 2.97Å
528	Y	71.1	Confident	86.2	Confident	158 Å²	158	59.4 Å²	59.4	62%	0.62	30%	0.296	S	S	*	.	S	Bend	trans	-74.4	162.5	177	-60.3	-80.5	0	0	0	112.3	V526	V526-Y528 PolarHBondContact O-N 3.15Å
529	N	69.4	Low	85.7	Confident	159 Å²	159	58.5 Å²	58.5	85%	0.85	29%	0.293	S	S	*	.	S	Bend	trans	56.7	57.6	171.1	-55.7	-23.9	0	0	0	114.4
530	N	83.8	Confident	85.1	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.048	29%	0.288	C	S	.	.			trans	-138.4	157.1	172.9	62.3	47.6	0	0	0	111.2	D350 P527 L532 I533 E534	D350-N530 WeakPolarHBondContact OD1-CB 3.27Å; P527-N530 PolarHBondContact O-ND2 2.97Å; N530-L532 PolarHBondContact O-N 3.27Å; N530-L532 WeakPolarHBondContact OD1-CB 3.27Å; N530-I533 PolarHBondContact O-N 2.97Å; N530-I533 VanDerWaalsContact O-N 3.15Å; N530-I533 WeakPolarHBondContact OD1-CG1 3.27Å; N530-I533 PolarHBondContact OD1-N 3.26Å; N530-E534 PolarHBondContact O-N 3.46Å
531	L	91.5	Very high	83.7	Confident	30 Å²	30	61.9 Å²	61.9	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-36.2	-175.7	176.7	63.9	0	0	0	111	D350 L353 F354 V357 I533 E534 M535	D350-L531 WeakPolarHBondContact OD1-CA 3.25Å; D350-L531 WeakPolarHBondContact OD1-CB 3.29Å; D350-L531 PolarHBondContact OD1-N 3.01Å; L353-L531 HydrophobicContact CD2-CD2 4.22Å; L353-L531 HydrophobicContact CD2-CG 3.99Å; L353-L531 HydrophobicContact CG-CD2 3.94Å; L353-L531 HydrophobicContact CG-CG 4.27Å; F354-L531 HydrophobicContact CD1-CD2 3.86Å; F354-L531 HydrophobicContact CD2-CD2 4.26Å; F354-L531 HydrophobicContact CE1-CB 4.46Å; F354-L531 HydrophobicContact CE1-CD2 3.78Å; F354-L531 HydrophobicContact CE2-CB 3.92Å; F354-L531 HydrophobicContact CE2-CD2 4.19Å; F354-L531 HydrophobicContact CG-CD2 4.1Å; F354-L531 HydrophobicContact CZ-CB 3.82Å; F354-L531 HydrophobicContact CZ-CD2 3.95Å; F354-L531 HydrophobicContact CZ-CG 4.5Å; V357-L531 HydrophobicContact CG2-CD2 4.34Å; L531-I533 VanDerWaalsContact C-N 3.31Å; L531-I533 PolarHBondContact O-N 2.85Å; L531-E534 PolarHBondContact O-N 2.85Å; L531-M535 HydrophobicContact CD1-CG 3.83Å; L531-M535 HydrophobicContact CD1-SD 4.37Å; L531-M535 HydrophobicContact CG-CG 4.08Å; L531-M535 WeakPolarHBondContact O-CB 3.36Å; L531-M535 WeakPolarHBondContact O-CG 3.29Å; L531-M535 PolarHBondContact O-N 3.43Å
532	L	92.8	Very high	83.5	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-54.8	-44.8	176.5	-179.7	66.2	0	0	0	112.5	C346 A349 D350 L353 W382 L386 L517 N530 L536	C346-L532 HydrophobicContact CB-CD2 4.28Å; A349-L532 HydrophobicContact CB-CD2 4.12Å; D350-L532 HydrophobicContact CB-CB 4.13Å; D350-L532 PolarHBondContact OD1-N 3.48Å; L353-L532 HydrophobicContact CD2-CD1 4.37Å; W382-L532 HydrophobicContact CE3-CD1 4.14Å; W382-L532 HydrophobicContact CH2-CD1 4.03Å; W382-L532 HydrophobicContact CZ3-CD1 3.44Å; W382-L532 VanDerWaalsContact CZ3-CD1 3.44Å; L386-L532 HydrophobicContact CD1-CD1 4.3Å; L517-L532 HydrophobicContact CD1-CD2 4.38Å; L517-L532 HydrophobicContact CD2-CD1 3.97Å; L517-L532 HydrophobicContact CD2-CD2 4.07Å; L517-L532 HydrophobicContact CD2-CG 3.91Å; N530-L532 PolarHBondContact O-N 3.27Å; N530-L532 WeakPolarHBondContact OD1-CB 3.27Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.47Å
533	I	91.3	Very high	83.3	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.062	33%	0.331	C	S	.	.	H	α-helix	trans	-73.3	-38.8	177.9	-70.8	-55.5	0	0	0	111.9	H521 V526 N530 L531 M535 L536 H537	H521-I533 HydrophobicContact CB-CD1 4.2Å; V526-I533 HydrophobicContact CB-CD1 4.17Å; V526-I533 HydrophobicContact CG1-CD1 3.49Å; V526-I533 VanDerWaalsContact CG1-CD1 3.49Å; V526-I533 HydrophobicContact CG1-CG1 3.73Å; N530-I533 PolarHBondContact O-N 2.97Å; N530-I533 VanDerWaalsContact O-N 3.15Å; N530-I533 WeakPolarHBondContact OD1-CG1 3.27Å; N530-I533 PolarHBondContact OD1-N 3.26Å; L531-I533 VanDerWaalsContact C-N 3.31Å; L531-I533 PolarHBondContact O-N 2.85Å; I533-M535 VanDerWaalsContact C-N 3.31Å; I533-M535 PolarHBondContact O-N 3.43Å; I533-L536 HydrophobicContact CD1-CD2 4Å; I533-L536 WeakPolarHBondContact O-CB 3.27Å; I533-L536 PolarHBondContact O-N 3.48Å; I533-H537 VanDerWaalsContact CG2-CD2 3.5Å; I533-H537 WeakPolarHBondContact CG2-CD2 3.28Å; I533-H537 WeakPolarHBondContact CG2-NE2 3.25Å; I533-H537 PolarHBondContact O-CD2 3.48Å; I533-H537 PolarHBondContact O-N 2.94Å
534	E	92	Very high	83	Confident	124 Å²	124	59.5 Å²	59.5	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-58.4	-45.1	174.6	-68.6	179.3	-172.5	0	0	111.4	N530 L531 H537 A538	N530-E534 PolarHBondContact O-N 3.46Å; L531-E534 PolarHBondContact O-N 2.85Å; E534-H537 PolarHBondContact O-N 3.18Å; E534-A538 WeakPolarHBondContact O-CB 3.4Å; E534-A538 PolarHBondContact O-N 3.4Å
535	M	94.2	Very high	83.1	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-68.4	-34.6	178.2	-66.3	-67.7	-77.9	0	0	112.3	L353 L378 Q379 W382 L531 I533 K539	L353-M535 HydrophobicContact CD2-CB 4.3Å; L353-M535 HydrophobicContact CD2-CG 4.02Å; L378-M535 VanDerWaalsContact C-CE 3.48Å; L378-M535 HydrophobicContact CB-CE 4.04Å; L378-M535 WeakPolarHBondContact O-CE 3.37Å; Q379-M535 HydrophobicContact CG-CE 4.21Å; Q379-M535 HydrophobicContact CG-SD 4Å; W382-M535 HydrophobicContact CB-CE 3.7Å; W382-M535 HydrophobicContact CD2-CB 4.04Å; W382-M535 HydrophobicContact CG-CB 4.02Å; W382-M535 HydrophobicContact CG-CE 3.89Å; W382-M535 PolarHBondContact NE1-O 3.24Å; L531-M535 HydrophobicContact CD1-CG 3.83Å; L531-M535 HydrophobicContact CD1-SD 4.37Å; L531-M535 HydrophobicContact CG-CG 4.08Å; L531-M535 WeakPolarHBondContact O-CB 3.36Å; L531-M535 WeakPolarHBondContact O-CG 3.29Å; L531-M535 PolarHBondContact O-N 3.43Å; I533-M535 VanDerWaalsContact C-N 3.31Å; I533-M535 PolarHBondContact O-N 3.43Å; M535-K539 PolarHBondContact O-N 3.04Å
536	L	92.6	Very high	83.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-40.5	173.1	-176.9	65.9	0	0	0	112.3	W382 E514 L517 Y518 L532 I533	W382-L536 HydrophobicContact CH2-CD1 4.37Å; W382-L536 HydrophobicContact CZ2-CB 4.24Å; W382-L536 HydrophobicContact CZ2-CD1 4.12Å; E514-L536 HydrophobicContact CB-CD1 4.28Å; E514-L536 HydrophobicContact CG-CD1 4.49Å; L517-L536 HydrophobicContact CD2-CD1 4.45Å; L517-L536 HydrophobicContact CD2-CD2 4.02Å; L517-L536 HydrophobicContact CG-CD2 3.93Å; Y518-L536 HydrophobicContact CD2-CD2 4.23Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 PolarHBondContact O-N 3.47Å; I533-L536 HydrophobicContact CD1-CD2 4Å; I533-L536 WeakPolarHBondContact O-CB 3.27Å; I533-L536 PolarHBondContact O-N 3.48Å
537	H	89.1	Confident	83.4	Confident	85 Å²	85	64 Å²	64	39%	0.394	34%	0.336	S	S	.	.	H	α-helix	trans	-72.2	-43.8	176.3	-71.9	-54.8	0	0	0	112.1	H521 I533 E534 K539 R540 A541	H521-H537 AromaticContact CD2-CE1 3.96Å; H521-H537 AromaticContact CE1-NE2 3.99Å; H521-H537 AromaticContact NE2-CE1 3.56Å; H521-H537 AromaticContact NE2-NE2 3.43Å; H521-H537 PolarHBondContact NE2-NE2 3.09Å; I533-H537 VanDerWaalsContact CG2-CD2 3.5Å; I533-H537 WeakPolarHBondContact CG2-CD2 3.28Å; I533-H537 WeakPolarHBondContact CG2-NE2 3.25Å; I533-H537 PolarHBondContact O-CD2 3.48Å; I533-H537 PolarHBondContact O-N 2.94Å; E534-H537 PolarHBondContact O-N 3.18Å; H537-K539 VanDerWaalsContact C-N 3.3Å; H537-K539 PolarHBondContact O-N 3.03Å; H537-R540 PolarHBondContact O-N 2.7Å; H537-A541 PolarHBondContact O-N 3.15Å; H537-A541 VanDerWaalsContact O-N 3.09Å
538	A	87.4	Confident	83.9	Confident	29 Å²	29	66.9 Å²	66.9	24%	0.24	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-39.2	-178.1	0	0	0	0	0	112.8	Q379 E534 R540 A541	Q379-A538 HydrophobicContact CB-CB 4.49Å; Q379-A538 HydrophobicContact CG-CB 3.83Å; E534-A538 WeakPolarHBondContact O-CB 3.4Å; E534-A538 PolarHBondContact O-N 3.4Å; A538-R540 PolarHBondContact O-N 2.88Å; A538-A541 PolarHBondContact O-N 2.8Å
539	K	80.6	Confident	84.8	Confident	56 Å²	56	59.9 Å²	59.9	24%	0.243	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.8	178.5	-166.3	172.5	-179.7	173.4	0	113.6	Q379 N380 S383 E514 M535 H537	Q379-K539 WeakPolarHBondContact O-CD 3.46Å; Q379-K539 WeakPolarHBondContact O-CG 3.03Å; N380-K539 WeakPolarHBondContact O-CE 3.4Å; N380-K539 PolarHBondContact O-NZ 2.91Å; S383-K539 PolarHBondContact OG-NZ 2.81Å; E514-K539 WeakPolarHBondContact OE1-CE 3.25Å; E514-K539 IonicContact OE1-NZ 2.62Å; E514-K539 PolarHBondContact OE1-NZ 2.87Å; E514-K539 IonicContact OE2-NZ 2.74Å; M535-K539 PolarHBondContact O-N 3.04Å; H537-K539 VanDerWaalsContact C-N 3.3Å; H537-K539 PolarHBondContact O-N 3.03Å
540	R	77.3	Confident	86.1	Confident	115 Å²	115	51.7 Å²	51.7	43%	0.434	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-12.8	-179.6	-70.2	180	174.8	-104.2	-2.4	113.4	H537 A538	H537-R540 PolarHBondContact O-N 2.7Å; A538-R540 PolarHBondContact O-N 2.88Å
541	A	61.1	Low	86.3	Confident	140 Å²	140	55.5 Å²	55.5	100%	1.157	31%	0.306	S	S	*	.			trans	-76.1	0	170.6	0	0	0	0	0	110.3	H537 A538	H537-A541 PolarHBondContact O-N 3.15Å; H537-A541 VanDerWaalsContact O-N 3.09Å; A538-A541 PolarHBondContact O-N 2.8Å

Retrieved 541 of 541 residues in 644.5 ms (Link to these results)

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