G4VBG9_SCHMA Loading...

G2/mitotic-specific cyclin-B3

AlphaFold DB , UniProt , Accession G4VBG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 721 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	32.7	Very low	29.7	Very low	223 Å²	223	173.7 Å²	173.7	100%	1.099	80%	0.804	S	S	*	*				0	62.5	0	-53.2	178.6	-160.1	0	0	108.2
2	D	32	Very low	29.3	Very low	141 Å²	141	168.3 Å²	168.3	75%	0.754	80%	0.8	S	S	*	*			cis	99.1	116.1	47.1	-62.3	-21.7	0	0	0	109.3
3	L	33.8	Very low	29.1	Very low	157 Å²	157	168.2 Å²	168.2	82%	0.822	80%	0.798	S	S	*	*			cis	-137.4	146.1	-7.7	-52.4	90.4	0	0	0	107.6
4	D	33	Very low	28.8	Very low	126 Å²	126	165.5 Å²	165.5	67%	0.674	79%	0.791	S	S	*	*				44.6	128.3	69.1	-106.2	20.5	0	0	0	112.5
5	R	33.9	Very low	28.7	Very low	208 Å²	208	161.1 Å²	161.1	79%	0.785	79%	0.785	S	S	*	*			cis	-164.3	161	24.7	-114.4	161.9	-158.5	-159	0.7	107.5
6	R	31.2	Very low	28.6	Very low	235 Å²	235	161.3 Å²	161.3	89%	0.887	78%	0.783	S	S	*	*			cis	-139.2	157.5	14.1	-60.8	-179.8	167.7	127	-2.8	110.2
7	N	25.7	Very low	28.6	Very low	158 Å²	158	159.9 Å²	159.9	85%	0.845	78%	0.781	S	S	*	*			trans	-149.9	167.7	169.9	-158.1	-11.8	0	0	0	109.1
8	S	27.6	Very low	28.7	Very low	91 Å²	91	161.3 Å²	161.3	64%	0.636	79%	0.785	S	S	*	*			trans	60.5	163.6	178.3	77.9	0	0	0	0	117.1
9	Y	27	Very low	28.7	Very low	201 Å²	201	156.5 Å²	156.5	79%	0.788	78%	0.782	S	S	*	*			cis	-114.5	145.3	-8.1	-89	-103.8	0	0	0	109
10	R	25.7	Very low	28.7	Very low	202 Å²	202	156.5 Å²	156.5	76%	0.762	79%	0.785	S	S	*	*				64.8	110.8	66.3	-120	-169.1	-169	-177.7	5.6	115.1
11	Q	23.9	Very low	28.8	Very low	169 Å²	169	155.9 Å²	155.9	79%	0.79	79%	0.789	S	S	*	*			trans	28.8	114.8	144.4	-61.1	166.9	-62.7	0	0	119.3
12	S	25.4	Very low	28.5	Very low	108 Å²	108	151.4 Å²	151.4	76%	0.755	77%	0.768	S	S	*	*				176.8	141.7	108.1	58.2	0	0	0	0	113.8
13	E	26.1	Very low	28.2	Very low	167 Å²	167	153 Å²	153	78%	0.78	77%	0.771	S	S	*	*			trans	63.2	120.7	142.8	-69.6	-178.1	-173.5	0	0	123.4
14	N	25.8	Very low	27.8	Very low	131 Å²	131	154.8 Å²	154.8	70%	0.701	77%	0.772	S	S	*	*				65.5	95.1	124.4	-60	-22.2	0	0	0	122.2
15	S	26.3	Very low	27.4	Very low	100 Å²	100	155 Å²	155	70%	0.699	78%	0.782	S	S	*	*				101.3	152.4	103.6	82.9	0	0	0	0	120.8
16	H	28.3	Very low	26.9	Very low	163 Å²	163	151.1 Å²	151.1	76%	0.755	79%	0.787	S	S	*	*			trans	66.7	98.6	158.9	-80	83.1	0	0	0	120.1
17	N	28.4	Very low	26.8	Very low	138 Å²	138	144.9 Å²	144.9	74%	0.738	79%	0.785	S	S	*	*				115.3	144.7	107.4	-119	-12.1	0	0	0	120
18	Q	29.6	Very low	26.7	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	78%	0.78	S	S	*	*			trans	76.9	139.5	165.4	-57.7	173.9	13.2	0	0	119.4
19	G	29.1	Very low	26.8	Very low	71 Å²	71	150.5 Å²	150.5	73%	0.732	79%	0.791	S	S	*	*			trans	143.7	14.5	148.7	0	0	0	0	0	123.5
20	N	29.3	Very low	26.8	Very low	155 Å²	155	147 Å²	147	83%	0.829	78%	0.781	S	S	*	*			trans	12	108.3	167.6	-83.3	-17.7	0	0	0	120.3
21	V	29.5	Very low	26.8	Very low	144 Å²	144	143.6 Å²	143.6	87%	0.873	78%	0.783	S	S	*	*			trans	-136.6	65.8	149.7	-166.9	0	0	0	0	111.8
22	I	26.8	Very low	27	Very low	129 Å²	129	145.7 Å²	145.7	66%	0.662	79%	0.79	S	S	*	*			trans	29.2	114.4	142.4	-55.9	-178.2	0	0	0	119.5
23	Q	25.8	Very low	27.1	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	79%	0.794	S	S	*	*			trans	62.5	99.8	148.8	-64.2	171.1	-10.2	0	0	121.2
24	K	26	Very low	27.5	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	79%	0.788	S	S	*	*				-175.1	159.1	98.9	-102.5	170.3	179	176.5	0	113
25	C	24.7	Very low	27.5	Very low	129 Å²	129	150 Å²	150	87%	0.872	80%	0.798	S	S	*	*			trans	64.9	71.8	166.6	-55.6	0	0	0	0	117.8
26	S	23.8	Very low	27.4	Very low	127 Å²	127	148.4 Å²	148.4	89%	0.888	80%	0.797	S	S	*	*			trans	-84.8	131.1	161.3	-53.6	0	0	0	0	111.3
27	A	28.3	Very low	27.3	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	80%	0.802	S	S	*	*			trans	-167.7	54.4	161	0	0	0	0	0	113.3
28	M	24	Very low	27.3	Very low	147 Å²	147	151.2 Å²	151.2	72%	0.724	80%	0.802	S	S	*	*			trans	-83.7	132.5	162.2	-80.9	177.9	57.9	0	0	110	E30	M28-E30 HydrophobicContact CE-CG 4.37Å
29	Y	29.3	Very low	27.5	Very low	221 Å²	221	146.2 Å²	146.2	87%	0.867	79%	0.785	S	S	*	*			trans	-174.2	79.6	146.5	-94.3	-60.3	0	0	0	107.4
30	E	26.1	Very low	28.1	Very low	127 Å²	127	144.7 Å²	144.7	59%	0.593	76%	0.761	S	S	*	*				86.9	91	82.3	-75.4	-173.8	158.3	0	0	115.2	M28	M28-E30 HydrophobicContact CE-CG 4.37Å
31	T	26	Very low	28.4	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	73%	0.726	S	S	*	*				41.9	95.2	129.3	54.3	0	0	0	0	119.9
32	K	28.3	Very low	28.6	Very low	212 Å²	212	132.9 Å²	132.9	92%	0.922	70%	0.701	S	S	*	*			trans	-137.1	129.5	134.3	-73.8	-165.6	178.4	175.6	0	113
33	R	27.4	Very low	29.4	Very low	225 Å²	225	131.7 Å²	131.7	85%	0.849	70%	0.696	S	S	*	*			trans	-133.6	167.6	157.3	-88.5	-162.6	-172.8	-157.6	7.4	104.9
34	P	34.5	Very low	30.1	Very low	101 Å²	101	124 Å²	124	66%	0.656	66%	0.661	S	S	*	*			cis	-136.6	-166.9	14.9	42	-23.1	0	0	0	114.9
35	L	25.9	Very low	30.8	Very low	172 Å²	172	117.1 Å²	117.1	90%	0.901	64%	0.635	S	S	*	*			trans	70	154.8	162.5	-60.9	165.4	0	0	0	117.6
36	G	25.1	Very low	31.2	Very low	66 Å²	66	114.5 Å²	114.5	68%	0.68	61%	0.613	S	S	*	*	S	Bend	trans	101.6	138.7	178.5	0	0	0	0	0	115.1	R38	G36-R38 PolarHBondContact O-N 2.68Å
37	D	26.2	Very low	31.8	Very low	162 Å²	162	117.4 Å²	117.4	87%	0.866	60%	0.604	S	S	*	*			trans	-48.9	109.5	-171.3	-64.3	-48.8	0	0	0	115.8	T39	D37-T39 PolarHBondContact O-N 2.66Å
38	R	27.8	Very low	32.4	Very low	197 Å²	197	115.7 Å²	115.7	74%	0.743	58%	0.578	S	S	*	*			trans	-82.1	96.2	173.3	-76.3	-176.8	162.7	-154.1	-11.6	111.2	G36 V40	G36-R38 PolarHBondContact O-N 2.68Å; R38-V40 PolarHBondContact O-N 3.16Å; R38-V40 VanDerWaalsContact O-N 3.12Å
39	T	33.1	Very low	33	Very low	80 Å²	80	113.5 Å²	113.5	49%	0.491	56%	0.562	S	S	.	*			trans	-65.9	107.9	171.2	50.8	0	0	0	0	110.7	D37 L41 G42	D37-T39 PolarHBondContact O-N 2.66Å; T39-L41 PolarHBondContact O-N 3.28Å; T39-G42 PolarHBondContact O-N 2.73Å
40	V	41.8	Very low	33.2	Very low	39 Å²	39	109.9 Å²	109.9	24%	0.236	56%	0.557	C	S	.	*	G	3₁₀ helix	trans	-55	-28.7	-164.8	169.2	0	0	0	0	115.5	R38 G42 R295 Y330	R38-V40 PolarHBondContact O-N 3.16Å; R38-V40 VanDerWaalsContact O-N 3.12Å; V40-G42 VanDerWaalsContact C-N 3.31Å; V40-G42 PolarHBondContact O-N 3.21Å; V40-R295 HydrophobicContact CG2-CB 3.7Å; V40-Y330 WeakPolarHBondContact CG1-OH 3.27Å
41	L	36	Very low	33.5	Very low	17 Å²	17	111 Å²	111	9%	0.089	57%	0.567	C	S	.	*	G	3₁₀ helix	trans	-75.9	-12.2	179	-63.2	95.1	0	0	0	114.7	T39 N43 L44 M253 R294	T39-L41 PolarHBondContact O-N 3.28Å; L41-N43 PolarHBondContact O-N 3.2Å; L41-L44 HydrophobicContact CB-CD1 3.78Å; L41-L44 HydrophobicContact CD2-CD1 3.95Å; L41-L44 HydrophobicContact CG-CD1 3.91Å; L41-M253 HydrophobicContact CD1-CE 3.55Å; L41-M253 HydrophobicContact CD2-CB 3.83Å; L41-M253 HydrophobicContact CD2-CE 3.82Å; L41-M253 HydrophobicContact CD2-CG 3.94Å; L41-M253 HydrophobicContact CG-CE 4.33Å; L41-R294 HydrophobicContact CD1-CG 3.6Å
42	G	34.7	Very low	33.8	Very low	35 Å²	35	111.1 Å²	111.1	36%	0.361	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-65.8	-20.6	178.8	0	0	0	0	0	114.3	T39 V40	T39-G42 PolarHBondContact O-N 2.73Å; V40-G42 VanDerWaalsContact C-N 3.31Å; V40-G42 PolarHBondContact O-N 3.21Å
43	N	42.2	Very low	33.9	Very low	103 Å²	103	105 Å²	105	55%	0.551	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-93.1	-5.3	-174.8	-66.8	-14.6	0	0	0	114.5	L41 T45	L41-N43 PolarHBondContact O-N 3.2Å; N43-T45 PolarHBondContact O-N 3.04Å
44	L	41.5	Very low	33.9	Very low	14 Å²	14	104.8 Å²	104.8	7%	0.073	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	14.1	-163.1	-76.5	171.4	0	0	0	117.1	L41 T256 W260 Q298	L41-L44 HydrophobicContact CB-CD1 3.78Å; L41-L44 HydrophobicContact CD2-CD1 3.95Å; L41-L44 HydrophobicContact CG-CD1 3.91Å; L44-T256 HydrophobicContact CB-CG2 4.05Å; L44-T256 HydrophobicContact CD1-CG2 3.77Å; L44-W260 HydrophobicContact CD2-CB 4.38Å; L44-W260 HydrophobicContact CD2-CD2 4.15Å; L44-W260 HydrophobicContact CD2-CG 3.87Å; L44-Q298 HydrophobicContact CD2-CG 4.3Å
45	T	39.7	Very low	33.7	Very low	51 Å²	51	108.7 Å²	108.7	31%	0.313	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.1	-2.3	-175.2	37.1	0	0	0	0	116.9	N43	N43-T45 PolarHBondContact O-N 3.04Å
46	N	32.5	Very low	33.8	Very low	74 Å²	74	106.9 Å²	106.9	40%	0.396	56%	0.556	S	S	.	*	S	Bend	trans	-141.1	43.5	-160.2	-56.3	-79.8	0	0	0	118.1	H665	N46-H665 VanDerWaalsContact CG-CG 3.48Å; N46-H665 VanDerWaalsContact CG-ND1 3.25Å; N46-H665 PolarHBondContact ND2-CD2 3Å; N46-H665 PolarHBondContact ND2-ND1 2.72Å; N46-H665 PolarHBondContact ND2-NE2 2.74Å; N46-H665 PolarHBondContact OD1-CE1 3.21Å; N46-H665 PolarHBondContact OD1-ND1 3.34Å
47	R	37.8	Very low	33.8	Very low	188 Å²	188	109.8 Å²	109.8	71%	0.709	56%	0.564	S	S	*	*	S	Bend	trans	-135	6.8	176.1	-80	-162.5	160	-147.8	-21.3	119	D327	R47-D327 WeakPolarHBondContact CD-OD2 3.07Å; R47-D327 IonicContact CZ-OD2 3.72Å; R47-D327 IonicContact NE-OD2 2.74Å; R47-D327 IonicContact NH1-OD1 3.59Å; R47-D327 IonicContact NH1-OD2 3.86Å; R47-D327 PolarHBondContact NH1-OD2 3.06Å
48	Q	40.5	Very low	33.8	Very low	67 Å²	67	110.5 Å²	110.5	31%	0.313	57%	0.567	S	S	.	*	S	Bend	trans	-137.7	17.3	-175.8	-70.9	-172.7	-28.6	0	0	116.5
49	R	35.7	Very low	33.7	Very low	101 Å²	101	104.8 Å²	104.8	38%	0.381	57%	0.569	S	S	.	*	S	Bend	trans	-117.8	-4	-167.3	-109.8	174.3	-179.2	155.9	4	119.7	E263 Q670	R49-E263 IonicContact NH1-OE1 2.76Å; R49-Q670 VanDerWaalsContact CZ-OE1 3.31Å; R49-Q670 VanDerWaalsContact NH1-CD 3.33Å
50	D	34	Very low	33.6	Very low	145 Å²	145	106.6 Å²	106.6	78%	0.775	59%	0.585	S	S	*	*	S	Bend	trans	-93.4	-25.6	-179.6	-67.7	-41.4	0	0	0	114.3
51	D	33.1	Very low	32.8	Very low	150 Å²	150	112.3 Å²	112.3	80%	0.802	61%	0.608	S	S	*	*	S	Bend	trans	-94.4	-37.5	-177.4	-68.7	-50.8	0	0	0	114.2	A53	D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 3.02Å
52	L	31.8	Very low	32.4	Very low	134 Å²	134	121.2 Å²	121.2	70%	0.702	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-73.7	-18.3	-176.5	-118.8	74.2	0	0	0	114.2	R54	L52-R54 PolarHBondContact O-N 3.09Å
53	A	30.1	Very low	32	Very low	83 Å²	83	124.9 Å²	124.9	69%	0.686	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-74.8	7.2	-173.6	0	0	0	0	0	115	D51	D51-A53 VanDerWaalsContact C-N 3.31Å; D51-A53 PolarHBondContact O-N 3.02Å
54	R	28.8	Very low	31.1	Very low	222 Å²	222	128.6 Å²	128.6	84%	0.838	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-117.2	-8.1	-178.7	-78.3	-176.8	166.7	129	-1	115.5	L52	L52-R54 PolarHBondContact O-N 3.09Å
55	E	28.4	Very low	30.5	Very low	183 Å²	183	135 Å²	135	86%	0.855	71%	0.71	S	S	*	*	S	Bend	trans	-118.2	52	-177	-63.3	-160.8	149	0	0	113
56	T	29.1	Very low	29.8	Very low	134 Å²	134	140.4 Å²	140.4	82%	0.822	73%	0.731	S	S	*	*	S	Bend	trans	-154	37.5	171.7	-3.9	0	0	0	0	113.9
57	C	24.3	Very low	29.7	Very low	126 Å²	126	146.6 Å²	146.6	85%	0.851	76%	0.755	S	S	*	*			trans	-140.4	53.2	179.8	-154.7	0	0	0	0	113.9
58	I	27.6	Very low	29	Very low	178 Å²	178	144.9 Å²	144.9	91%	0.913	76%	0.76	S	S	*	*			trans	-133.1	108.8	163	-56.1	179.5	0	0	0	106.5
59	G	25.8	Very low	28.5	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	78%	0.781	S	S	*	*			trans	-102.9	-174.3	-172.2	0	0	0	0	0	114
60	S	29.7	Very low	28	Very low	119 Å²	119	149.5 Å²	149.5	83%	0.832	80%	0.802	S	S	*	*			trans	-153.5	128.1	157.2	42.3	0	0	0	0	111.7
61	H	25	Very low	27.5	Very low	158 Å²	158	149.6 Å²	149.6	73%	0.731	80%	0.802	S	S	*	*			trans	-59.2	152.2	151.8	-85.9	-114.1	0	0	0	108.8
62	F	28.8	Very low	27.1	Very low	205 Å²	205	149.7 Å²	149.7	90%	0.899	80%	0.802	S	S	*	*				-148.8	153.6	127.1	-119.6	-77.7	0	0	0	112.4
63	N	26	Very low	26.7	Very low	112 Å²	112	150.8 Å²	150.8	60%	0.599	81%	0.808	S	S	*	*			trans	-95.5	154.3	-159.5	-66.7	-42.2	0	0	0	115	I65	N63-I65 PolarHBondContact O-N 3.28Å
64	L	23.7	Very low	26.5	Very low	181 Å²	181	153.5 Å²	153.5	95%	0.948	82%	0.817	S	S	*	*			trans	-64.3	109.9	166.1	-167.8	81.9	0	0	0	110.8
65	I	28.3	Very low	26.2	Very low	149 Å²	149	152.6 Å²	152.6	76%	0.764	82%	0.822	S	S	*	*			trans	-134.8	123.3	171.6	-63.1	-175.3	0	0	0	111.4	N63	N63-I65 PolarHBondContact O-N 3.28Å
66	H	25.1	Very low	26.2	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.755	82%	0.82	S	S	*	*			trans	-70.2	139	173.5	-123.5	-88.1	0	0	0	112.2
67	K	29.5	Very low	25.9	Very low	205 Å²	205	151.4 Å²	151.4	89%	0.891	82%	0.821	S	S	*	*			trans	-164.8	145.7	144.5	-111.3	155.8	-171.4	175.1	0	113
68	N	24.5	Very low	25.8	Very low	152 Å²	152	156.7 Å²	156.7	81%	0.813	83%	0.825	S	S	*	*			trans	-99.3	147.9	-169.9	-65.3	-26.2	0	0	0	113.4
69	G	28.8	Very low	25.6	Very low	73 Å²	73	152.9 Å²	152.9	75%	0.753	81%	0.814	S	S	*	*			trans	132.3	149.3	155.3	0	0	0	0	0	113.7
70	K	25.3	Very low	25.5	Very low	191 Å²	191	154.3 Å²	154.3	83%	0.83	81%	0.812	S	S	*	*			cis	176.6	131.6	-15.9	-131.4	-169.3	179.2	-174.8	0	104.2
71	L	23.9	Very low	25.4	Very low	147 Å²	147	154.7 Å²	154.7	77%	0.77	81%	0.809	S	S	*	*			trans	66.1	155.6	173.7	-70	78.5	0	0	0	115.4
72	L	25.5	Very low	25.4	Very low	153 Å²	153	154.1 Å²	154.1	80%	0.801	81%	0.81	S	S	*	*			cis	-123.3	163	-0.4	-87	95.8	0	0	0	112.1
73	N	22.7	Very low	25.4	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	80%	0.804	S	S	*	*			trans	-76.6	142.8	159.5	-67.6	-4.7	0	0	0	111
74	T	26.1	Very low	25.4	Very low	140 Å²	140	150.9 Å²	150.9	86%	0.859	82%	0.816	S	S	*	*			trans	-146.1	114.2	150.2	40.7	0	0	0	0	110.8
75	E	21.3	Very low	25.7	Very low	203 Å²	203	146.5 Å²	146.5	95%	0.949	81%	0.806	S	S	*	*			trans	-83.4	129.5	160.8	-63.9	-179	114.5	0	0	109.4
76	A	28.7	Very low	25.7	Very low	100 Å²	100	148.1 Å²	148.1	83%	0.826	82%	0.815	S	S	*	*			trans	-160.8	140.8	161.1	0	0	0	0	0	111.7
77	K	22.5	Very low	25.9	Very low	192 Å²	192	144 Å²	144	84%	0.835	82%	0.817	S	S	*	*			trans	-78.1	150.9	162.6	-56.7	165	-177	172.8	0	108.6
78	Y	22.6	Very low	26	Very low	236 Å²	236	143.2 Å²	143.2	93%	0.925	82%	0.816	S	S	*	*				-173.9	-169.5	122.6	-111.3	-76.8	0	0	0	112
79	S	23.8	Very low	26.3	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	81%	0.808	S	S	*	*			trans	-118.2	171	-151.6	-172.3	0	0	0	0	115
80	S	24.3	Very low	26.4	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	81%	0.807	S	S	*	*			trans	86.7	137.7	156	79.1	0	0	0	0	119.9
81	V	26.7	Very low	26.5	Very low	126 Å²	126	140.9 Å²	140.9	76%	0.764	80%	0.802	S	S	*	*				-174.5	114.6	127.2	145	0	0	0	0	111.7
82	I	25.3	Very low	26.7	Very low	147 Å²	147	140.6 Å²	140.6	75%	0.754	80%	0.801	S	S	*	*			trans	46.4	117.7	142	-48.8	173.7	0	0	0	121.2
83	S	28.9	Very low	26.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	79%	0.791	S	S	*	*				-179.7	109.9	118.5	-78.4	0	0	0	0	116
84	T	25.9	Very low	27	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	79%	0.79	S	S	*	*			trans	36.8	114.9	138.4	-43.6	0	0	0	0	122.9
85	A	29.1	Very low	27.1	Very low	89 Å²	89	134 Å²	134	74%	0.736	78%	0.78	S	S	*	*				173.8	126	112.9	0	0	0	0	0	115.4
86	L	29.2	Very low	27.5	Very low	182 Å²	182	129.7 Å²	129.7	95%	0.953	77%	0.772	S	S	*	*			trans	34.5	127.2	146.7	-57.5	171.5	0	0	0	122.3
87	G	29.9	Very low	27.5	Very low	78 Å²	78	129.9 Å²	129.9	80%	0.804	77%	0.774	S	S	*	*			trans	146.9	103.9	148.5	0	0	0	0	0	117.9
88	H	30.4	Very low	27.8	Very low	188 Å²	188	128 Å²	128	87%	0.87	77%	0.773	S	S	*	*			trans	-70.7	160.4	162.7	-71.5	-92.7	0	0	0	110.7
89	S	32.5	Very low	28.2	Very low	93 Å²	93	122 Å²	122	65%	0.65	77%	0.766	S	S	*	*			cis	-166.5	150.7	8.3	26.7	0	0	0	0	112.4
90	D	30.2	Very low	28.5	Very low	136 Å²	136	120.2 Å²	120.2	73%	0.727	76%	0.764	S	S	*	*			trans	60.3	111.7	137.1	-53.6	-23.6	0	0	0	124.5
91	L	27.6	Very low	28.7	Very low	138 Å²	138	125.7 Å²	125.7	72%	0.723	77%	0.77	S	S	*	*				67.7	122.9	121	-61.3	173.2	0	0	0	122.7
92	N	27.3	Very low	28.9	Very low	141 Å²	141	125.3 Å²	125.3	75%	0.754	76%	0.763	S	S	*	*			trans	67.9	153	133.7	-64.9	-6.5	0	0	0	120.1
93	S	27	Very low	28.9	Very low	85 Å²	85	122.9 Å²	122.9	59%	0.594	76%	0.759	S	S	*	*			cis	-173.8	158.4	-20.7	53	0	0	0	0	109.4
94	T	27.7	Very low	29	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	76%	0.764	S	S	*	*			trans	59.9	156.1	157.9	48	0	0	0	0	118.6
95	S	27.9	Very low	29	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	76%	0.761	S	S	*	*			cis	-166.7	170.3	-24.3	55.2	0	0	0	0	109.4
96	S	29.5	Very low	29	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	77%	0.765	S	S	*	*			trans	49.8	117.7	149.4	56.4	0	0	0	0	120.4
97	A	28.7	Very low	29	Very low	105 Å²	105	128.1 Å²	128.1	87%	0.868	76%	0.759	S	S	*	*			trans	-103.4	158	156.6	0	0	0	0	0	110.3
98	D	29.7	Very low	28.9	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	75%	0.748	S	S	*	*			trans	-152	146.5	171.6	-160.6	5.9	0	0	0	113.9
99	S	30.2	Very low	28.8	Very low	109 Å²	109	124.7 Å²	124.7	76%	0.762	74%	0.74	S	S	*	*			trans	58.9	132.2	158.3	72.6	0	0	0	0	122.7
100	G	30.2	Very low	28.5	Very low	63 Å²	63	126.8 Å²	126.8	65%	0.649	75%	0.748	S	S	*	*				139.6	105.4	118.4	0	0	0	0	0	121.2
101	Y	28.3	Very low	28.4	Very low	221 Å²	221	126.9 Å²	126.9	87%	0.867	75%	0.754	S	S	*	*			trans	59.4	153.5	139.9	-78	-110	0	0	0	120.1
102	D	30.8	Very low	28.2	Very low	118 Å²	118	127.1 Å²	127.1	63%	0.631	75%	0.751	S	S	*	*			cis	-156.8	135.8	-17	-132	3.8	0	0	0	107.9
103	S	26.9	Very low	28.3	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	76%	0.755	S	S	*	*				67.2	125.5	91.1	-58.3	0	0	0	0	118.9
104	I	31.2	Very low	28.1	Very low	170 Å²	170	130 Å²	130	87%	0.872	76%	0.761	S	S	*	*			trans	169.5	153.7	132.9	-88.1	160.6	0	0	0	111.4
105	N	24.5	Very low	28	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	76%	0.762	S	S	*	*			trans	-115.9	164.7	-164.8	-51.1	-56.5	0	0	0	114.4
106	T	30	Very low	27.8	Very low	135 Å²	135	132.6 Å²	132.6	83%	0.828	77%	0.766	S	S	*	*				-177.6	133.1	118.6	34.8	0	0	0	0	113.1
107	E	27.8	Very low	27.6	Very low	177 Å²	177	131.9 Å²	131.9	83%	0.827	76%	0.762	S	S	*	*			trans	20.5	154.2	134.5	-67.3	-144.5	-112.4	0	0	122.4
108	S	28.4	Very low	27.4	Very low	80 Å²	80	136.4 Å²	136.4	56%	0.559	76%	0.762	S	S	*	*			cis	178.9	171	-5.6	-93.1	0	0	0	0	108.2
109	T	28.4	Very low	27.2	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	76%	0.76	S	S	*	*			cis	-171.2	152.9	-8.8	27.3	0	0	0	0	110
110	V	26.5	Very low	27	Very low	136 Å²	136	137.2 Å²	137.2	82%	0.824	77%	0.765	S	S	*	*			trans	68.2	140.9	151	170.4	0	0	0	0	117.3
111	V	28.4	Very low	26.9	Very low	139 Å²	139	139.6 Å²	139.6	84%	0.842	77%	0.767	S	S	*	*			cis	-119.4	163.7	11.3	-166.4	0	0	0	0	111.5
112	E	23.7	Very low	26.9	Very low	142 Å²	142	137.2 Å²	137.2	66%	0.664	76%	0.764	S	S	*	*			trans	-78.3	149.6	-176	-50.3	-173.7	122.9	0	0	117.1	K114	E112-K114 WeakPolarHBondContact OE1-CE 3.3Å; E112-K114 IonicContact OE1-NZ 3.76Å; E112-K114 PolarHBondContact OE1-NZ 2.78Å; E112-K114 IonicContact OE2-NZ 2.79Å; E112-K114 PolarHBondContact OE2-NZ 2.93Å
113	S	27.7	Very low	26.7	Very low	121 Å²	121	136.2 Å²	136.2	85%	0.846	77%	0.767	S	S	*	*			trans	-144.2	126.6	143.1	59.2	0	0	0	0	109.2
114	K	24.4	Very low	26.7	Very low	165 Å²	165	139 Å²	139	72%	0.717	77%	0.773	S	S	*	*			trans	-97.2	117.5	-162.6	-77.6	170.8	168.2	130.1	0	113.8	E112	E112-K114 WeakPolarHBondContact OE1-CE 3.3Å; E112-K114 IonicContact OE1-NZ 3.76Å; E112-K114 PolarHBondContact OE1-NZ 2.78Å; E112-K114 IonicContact OE2-NZ 2.79Å; E112-K114 PolarHBondContact OE2-NZ 2.93Å
115	L	24.7	Very low	26.6	Very low	161 Å²	161	138.1 Å²	138.1	84%	0.843	77%	0.769	S	S	*	*			trans	-145.9	149.4	169.7	-102.7	166.1	0	0	0	111.1
116	T	23.5	Very low	26.7	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	77%	0.766	S	S	*	*			trans	69.8	94.4	169	62.3	0	0	0	0	121.1
117	S	24.7	Very low	26.5	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	76%	0.757	S	S	*	*				84.1	144.4	116.3	84.6	0	0	0	0	123
118	K	26.4	Very low	26.6	Very low	200 Å²	200	134.8 Å²	134.8	87%	0.87	76%	0.757	S	S	*	*			trans	59.5	115	149.2	-67	167.7	-179.3	178.3	0	119.4
119	S	24.9	Very low	26.6	Very low	112 Å²	112	136 Å²	136	78%	0.783	77%	0.765	S	S	*	*				-170.8	127.7	103.1	-171.8	0	0	0	0	112.2
120	L	26.7	Very low	26.5	Very low	165 Å²	165	135.2 Å²	135.2	86%	0.864	76%	0.764	S	S	*	*			trans	-147.7	131.9	138.8	-110.8	169.1	0	0	0	108
121	T	26.6	Very low	26.6	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	76%	0.761	S	S	*	*			trans	-42.2	156	-177.5	40.5	0	0	0	0	115.8
122	Q	29.8	Very low	26.4	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	75%	0.754	S	S	*	*			cis	-160.2	147.5	43.4	-153.1	170.4	22.9	0	0	113.6
123	S	26.6	Very low	26.6	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	76%	0.764	S	S	*	*			trans	50.2	132.5	156	45.9	0	0	0	0	120.3
124	L	26.1	Very low	26.4	Very low	152 Å²	152	138.2 Å²	138.2	80%	0.796	76%	0.762	S	S	*	*			cis	-161	155.3	10.1	-107.6	158	0	0	0	109.9
125	L	29.5	Very low	26.6	Very low	152 Å²	152	137.4 Å²	137.4	80%	0.796	77%	0.771	S	S	*	*			trans	58	107.1	162.3	-58.7	161.2	0	0	0	117.3
126	C	25.9	Very low	26.6	Very low	107 Å²	107	134.2 Å²	134.2	72%	0.723	76%	0.762	S	S	*	*				77.5	130.8	56.3	-172.1	0	0	0	0	114.4
127	C	26.3	Very low	26.9	Very low	93 Å²	93	136.2 Å²	136.2	63%	0.628	77%	0.766	S	S	*	*			cis	-159.9	155.9	-4.4	-83	0	0	0	0	112.9
128	K	29.1	Very low	27	Very low	191 Å²	191	136.1 Å²	136.1	83%	0.83	77%	0.766	S	S	*	*			trans	30.4	146.2	133.8	-58.3	-178.7	-177.9	179.9	0	120.9
129	S	29.1	Very low	27.1	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	77%	0.767	S	S	*	*			cis	-166.4	170.6	-4.3	-104.5	0	0	0	0	112.4
130	S	26	Very low	27	Very low	97 Å²	97	142.2 Å²	142.2	68%	0.678	77%	0.772	S	S	*	*			trans	-65.7	159	179.6	54.9	0	0	0	0	117.3
131	N	28.5	Very low	27.1	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	77%	0.769	S	S	*	*				174.9	110.6	122.8	-87.1	5.6	0	0	0	108.4
132	S	24.2	Very low	26.9	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	77%	0.772	S	S	*	*				76.4	102.2	77	72.8	0	0	0	0	115
133	E	27.3	Very low	26.9	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	78%	0.777	S	S	*	*			trans	-169.4	-178.5	133.2	-111	176.1	-175	0	0	114.1
134	Q	23.9	Very low	26.7	Very low	171 Å²	171	148.2 Å²	148.2	80%	0.799	78%	0.775	S	S	*	*			trans	-86.7	162.2	-155.2	-52.7	161.9	18.3	0	0	114.9
135	V	28.4	Very low	26.9	Very low	148 Å²	148	150.5 Å²	150.5	90%	0.897	78%	0.781	S	S	*	*				-174.8	154.9	126.9	140.8	0	0	0	0	111.7
136	S	24.2	Very low	26.8	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	78%	0.78	S	S	*	*			trans	-107.1	160.6	-172.5	60.2	0	0	0	0	114.9
137	I	30.4	Very low	26.9	Very low	162 Å²	162	151 Å²	151	83%	0.831	79%	0.786	S	S	*	*			trans	164.9	125	142.9	-87.6	150.9	0	0	0	106.6
138	S	26.2	Very low	27.1	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	79%	0.785	S	S	*	*			cis	97.3	98.3	26.6	-169.6	0	0	0	0	115.1
139	K	30	Very low	26.8	Very low	207 Å²	207	147.6 Å²	147.6	90%	0.9	78%	0.782	S	S	*	*				-178.1	147.3	125.6	-97.2	159.8	-173.9	179.2	0	114.7
140	R	21.2	Very low	26.8	Very low	233 Å²	233	148.4 Å²	148.4	88%	0.879	79%	0.788	S	S	*	*			trans	-109.2	180	164.6	-109	-176.3	-176.1	-171.4	3.2	107.2
141	P	30.3	Very low	26.8	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	80%	0.795	S	S	*	*			cis	-142.5	-160.2	28.7	43.5	-21.9	0	0	0	115.9
142	R	22.2	Very low	26.8	Very low	202 Å²	202	152.4 Å²	152.4	76%	0.762	80%	0.801	S	S	*	*			trans	-75.7	167.4	175.6	-57.7	174.4	179.1	149.8	-5.9	112.9
143	Y	28.9	Very low	26.8	Very low	228 Å²	228	155.8 Å²	155.8	89%	0.894	81%	0.806	S	S	*	*			trans	-134	143.9	135.1	-120.3	-92.4	0	0	0	108.8
144	D	23.6	Very low	26.9	Very low	120 Å²	120	155 Å²	155	64%	0.642	81%	0.805	S	S	*	*			trans	-105.4	143.8	166.4	-66.3	-73.3	0	0	0	107.4
145	E	30.7	Very low	26.9	Very low	200 Å²	200	151.3 Å²	151.3	94%	0.935	80%	0.799	S	S	*	*			trans	-172.4	156.8	133.4	-108	169.3	-177.1	0	0	111.1
146	S	26.2	Very low	26.7	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	79%	0.793	S	S	*	*			trans	-109.4	149.6	-173	54.7	0	0	0	0	111.8
147	D	28.8	Very low	26.9	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	80%	0.802	S	S	*	*			trans	-153.1	177.9	136.5	-136.1	-28.4	0	0	0	113.9
148	S	28.8	Very low	26.7	Very low	89 Å²	89	153.3 Å²	153.3	62%	0.622	81%	0.805	S	S	*	*			trans	-100.5	149.8	-142.5	46.4	0	0	0	0	116.9
149	T	24.3	Very low	26.7	Very low	124 Å²	124	157.3 Å²	157.3	76%	0.761	81%	0.813	S	S	*	*			trans	58	116.9	134.6	-57.1	0	0	0	0	121.1
150	S	28.5	Very low	26.8	Very low	123 Å²	123	152.2 Å²	152.2	86%	0.86	80%	0.796	S	S	*	*				-161.6	142.9	116.4	23.6	0	0	0	0	114
151	Q	25.1	Very low	27.6	Very low	178 Å²	178	147.2 Å²	147.2	83%	0.832	80%	0.796	S	S	*	*			trans	-77	151.8	-175	-54.6	145.8	-36.9	0	0	112.8
152	V	29.1	Very low	28	Very low	145 Å²	145	149.4 Å²	149.4	88%	0.879	80%	0.801	S	S	*	*			trans	-148.2	148.2	131.4	178.5	0	0	0	0	108.2
153	E	24	Very low	28.8	Very low	171 Å²	171	144.7 Å²	144.7	80%	0.799	79%	0.791	S	S	*	*			trans	-84.3	162.6	-177.2	-54.8	158.7	122.7	0	0	113.4
154	I	29.4	Very low	29.6	Very low	171 Å²	171	135.3 Å²	135.3	88%	0.877	76%	0.757	S	S	*	*				177.5	145.7	123.9	-90.6	156.3	0	0	0	110.4
155	S	24.4	Very low	30.4	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	76%	0.757	S	S	*	*			trans	-89.1	151.7	-173.1	55.1	0	0	0	0	114.9
156	C	23.3	Very low	30.7	Very low	115 Å²	115	135.2 Å²	135.2	78%	0.777	74%	0.739	S	S	*	*				160.9	139.6	117.1	-87.9	0	0	0	0	115.3
157	V	28.9	Very low	31.4	Very low	137 Å²	137	135.4 Å²	135.4	83%	0.83	74%	0.737	S	S	*	*			trans	66.6	112.8	166.7	-166.8	0	0	0	0	118.2
158	E	25.8	Very low	32	Very low	194 Å²	194	131.6 Å²	131.6	91%	0.907	71%	0.713	S	S	*	*			trans	-119.9	102.2	168.7	-65.9	-176.8	162.2	0	0	111.3
159	E	28.1	Very low	32.6	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	73%	0.726	S	S	*	*			trans	-157	66.4	167.2	-76	-157.8	168.8	0	0	114.1
160	D	31.9	Very low	33.7	Very low	100 Å²	100	131 Å²	131	54%	0.535	69%	0.693	S	S	.	*			trans	-171.6	67.5	157.1	-125.9	-35	0	0	0	112.4	K393 R599	D160-K393 IonicContact OD1-NZ 2.68Å; D160-K393 PolarHBondContact OD1-NZ 3.26Å; D160-R599 IonicContact OD2-CZ 3.94Å; D160-R599 VanDerWaalsContact OD2-CZ 3.27Å; D160-R599 IonicContact OD2-NH1 3.99Å; D160-R599 PolarHBondContact OD2-NH1 3.46Å; D160-R599 IonicContact OD2-NH2 3.65Å; D160-R599 PolarHBondContact OD2-NH2 2.98Å
161	S	36.3	Very low	34.5	Very low	127 Å²	127	132.5 Å²	132.5	89%	0.888	68%	0.684	S	S	*	*			trans	-153.8	85.1	164.3	56.8	0	0	0	0	114.1
162	D	39.9	Very low	35.4	Very low	169 Å²	169	128 Å²	128	90%	0.904	67%	0.666	S	S	*	*			trans	-137.2	146.4	168.1	-150	-14.6	0	0	0	110.8
163	D	39.7	Very low	36.3	Very low	103 Å²	103	121.4 Å²	121.4	55%	0.551	63%	0.626	S	S	*	*			trans	-88.5	114.3	-152.2	-167.4	-3.7	0	0	0	113.9	R165	D163-R165 PolarHBondContact O-N 3.35Å; D163-R165 WeakPolarHBondContact OD1-CB 3.5Å; D163-R165 WeakPolarHBondContact OD1-CD 3.33Å; D163-R165 WeakPolarHBondContact OD1-CG 3.29Å; D163-R165 PolarHBondContact OD1-N 3.25Å; D163-R165 VanDerWaalsContact OD2-CD 3.26Å; D163-R165 WeakPolarHBondContact OD2-CD 3.3Å
164	D	43.8	Very low	37.4	Very low	32 Å²	32	115.2 Å²	115.2	17%	0.171	60%	0.602	C	S	.	*			trans	-83.1	12.4	176	-140.7	2	0	0	0	112.8	R166 R394 R397	D164-R166 PolarHBondContact O-N 3.34Å; D164-R166 IonicContact OD1-CZ 3.64Å; D164-R166 IonicContact OD1-NE 3.71Å; D164-R166 IonicContact OD1-NH2 3.79Å; D164-R166 PolarHBondContact OD1-NH2 3.17Å; D164-R394 PolarHBondContact O-NH1 2.9Å; D164-R394 PolarHBondContact O-NH2 3.34Å; D164-R397 IonicContact OD2-CZ 2.99Å; D164-R397 IonicContact OD2-NH1 3.12Å; D164-R397 PolarHBondContact OD2-NH1 2.91Å
165	R	42	Very low	38.4	Very low	169 Å²	169	109.8 Å²	109.8	64%	0.638	57%	0.574	S	S	*	*			trans	-67.1	51	169.1	-76.5	169.7	156.4	157.6	-6.8	113.5	D163 P167 E233	D163-R165 PolarHBondContact O-N 3.35Å; D163-R165 WeakPolarHBondContact OD1-CB 3.5Å; D163-R165 WeakPolarHBondContact OD1-CD 3.33Å; D163-R165 WeakPolarHBondContact OD1-CG 3.29Å; D163-R165 PolarHBondContact OD1-N 3.25Å; D163-R165 VanDerWaalsContact OD2-CD 3.26Å; D163-R165 WeakPolarHBondContact OD2-CD 3.3Å; R165-P167 WeakPolarHBondContact O-CD 3.4Å; R165-E233 IonicContact NH2-OE1 3.39Å; R165-E233 PolarHBondContact NH2-OE1 3.3Å
166	R	36.6	Very low	39.7	Very low	148 Å²	148	106.5 Å²	106.5	56%	0.558	55%	0.549	S	S	*	.			trans	-73.1	128.3	166	-87.7	177.9	-74	-146.7	-9.5	111.4	D164	D164-R166 PolarHBondContact O-N 3.34Å; D164-R166 IonicContact OD1-CZ 3.64Å; D164-R166 IonicContact OD1-NE 3.71Å; D164-R166 IonicContact OD1-NH2 3.79Å; D164-R166 PolarHBondContact OD1-NH2 3.17Å
167	P	40.9	Very low	40.9	Very low	113 Å²	113	103.4 Å²	103.4	73%	0.734	53%	0.526	S	S	*	.			trans	-58.7	155.5	158.3	-21.2	34.2	0	0	0	111.2	R165 E169	R165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-E169 PolarHBondContact O-N 3.01Å
168	F	41.2	Very low	41.8	Very low	79 Å²	79	103.7 Å²	103.7	35%	0.346	51%	0.513	S	S	.	.			trans	-78.4	82.2	-170.6	-167.7	-116.5	0	0	0	112.8	S170 A173 A224 Q227	F168-S170 VanDerWaalsContact CZ-CB 3.47Å; F168-S170 PolarHBondContact O-N 2.96Å; F168-A173 HydrophobicContact CE1-CB 3.83Å; F168-A173 HydrophobicContact CZ-CB 4.09Å; F168-A224 HydrophobicContact CE1-CB 4.39Å; F168-Q227 VanDerWaalsContact CE2-OE1 3.25Å; F168-Q227 VanDerWaalsContact CZ-OE1 3.3Å
169	E	41.5	Very low	42.8	Very low	189 Å²	189	95.4 Å²	95.4	88%	0.883	48%	0.477	S	S	*	.			trans	-75.1	24.1	172.2	-68.9	-154.9	136.7	0	0	114.2	P167 K171	P167-E169 PolarHBondContact O-N 3.01Å; E169-K171 PolarHBondContact O-N 3.42Å
170	S	47.1	Very low	43.6	Very low	11 Å²	11	89.6 Å²	89.6	8%	0.077	46%	0.46	C	S	.	.			trans	-73.7	75.7	168.2	-165.7	0	0	0	0	109.3	F168 L172 A173 C174 H584	F168-S170 VanDerWaalsContact CZ-CB 3.47Å; F168-S170 PolarHBondContact O-N 2.96Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.49Å; S170-A173 WeakPolarHBondContact O-CB 3.39Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-A173 VanDerWaalsContact OG-CB 3.31Å; S170-A173 WeakPolarHBondContact OG-CB 3.49Å; S170-C174 PolarHBondContact O-N 2.95Å; S170-H584 PolarHBondContact OG-CE1 3.12Å; S170-H584 PolarHBondContact OG-O 2.95Å
171	K	46	Very low	44.2	Very low	156 Å²	156	93.5 Å²	93.5	68%	0.678	47%	0.473	S	S	*	.	H	α-helix	trans	-55.4	-44.9	-173.7	-169.4	-173.5	174.2	-175.2	0	110.8	E169 A173 C174 D175	E169-K171 PolarHBondContact O-N 3.42Å; K171-A173 PolarHBondContact O-N 3.45Å; K171-C174 CarbonylContact O-C 3.58Å; K171-C174 WeakPolarHBondContact O-CB 3.24Å; K171-C174 PolarHBondContact O-N 3.21Å; K171-D175 WeakPolarHBondContact O-CB 3.33Å; K171-D175 PolarHBondContact O-N 2.79Å
172	L	43.9	Very low	44.5	Very low	83 Å²	83	89.6 Å²	89.6	44%	0.435	45%	0.448	S	S	.	.	H	α-helix	trans	-73.2	-17	176.3	171.2	69.8	0	0	0	114	S170 D175 I176 H584	S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.49Å; L172-D175 CarbonylContact O-C 3.44Å; L172-D175 PolarHBondContact O-N 3.04Å; L172-I176 HydrophobicContact CD1-CD1 4.16Å; L172-I176 HydrophobicContact CD1-CG1 3.87Å; L172-I176 HydrophobicContact CG-CD1 3.98Å; L172-I176 HydrophobicContact CG-CG1 4.21Å; L172-I176 VanDerWaalsContact O-CB 3.27Å; L172-I176 WeakPolarHBondContact O-CB 3.4Å; L172-I176 WeakPolarHBondContact O-CD1 3.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.42Å; L172-I176 PolarHBondContact O-N 3.12Å; L172-H584 VanDerWaalsContact C-NE2 3.26Å; L172-H584 VanDerWaalsContact CA-CE1 3.47Å; L172-H584 WeakPolarHBondContact CA-CE1 3.22Å; L172-H584 WeakPolarHBondContact CB-CE1 3.42Å; L172-H584 WeakPolarHBondContact CG-NE2 3.47Å
173	A	48.6	Very low	44.9	Very low	7 Å²	7	89.6 Å²	89.6	6%	0.058	45%	0.448	C	S	.	.	H	α-helix	trans	-78.3	-39.7	170	0	0	0	0	0	109.3	F168 S170 K171 D175 V177 H584	F168-A173 HydrophobicContact CE1-CB 3.83Å; F168-A173 HydrophobicContact CZ-CB 4.09Å; S170-A173 WeakPolarHBondContact O-CB 3.39Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-A173 VanDerWaalsContact OG-CB 3.31Å; S170-A173 WeakPolarHBondContact OG-CB 3.49Å; K171-A173 PolarHBondContact O-N 3.45Å; A173-D175 VanDerWaalsContact C-N 3.3Å; A173-D175 PolarHBondContact O-N 2.76Å; A173-V177 WeakPolarHBondContact O-CB 3.31Å; A173-V177 VanDerWaalsContact O-CG2 3.22Å; A173-V177 WeakPolarHBondContact O-CG2 3.28Å; A173-V177 PolarHBondContact O-N 3.21Å; A173-H584 PolarHBondContact N-CE1 3.37Å; A173-H584 PolarHBondContact N-NE2 3.35Å; A173-H584 VanDerWaalsContact N-NE2 3.19Å
174	C	46.5	Very low	44.9	Very low	41 Å²	41	95.1 Å²	95.1	28%	0.277	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-34.3	166.7	-66.7	0	0	0	0	112.3	S170 K171 R178	S170-C174 PolarHBondContact O-N 2.95Å; K171-C174 CarbonylContact O-C 3.58Å; K171-C174 WeakPolarHBondContact O-CB 3.24Å; K171-C174 PolarHBondContact O-N 3.21Å; C174-R178 WeakPolarHBondContact O-CB 3.4Å; C174-R178 WeakPolarHBondContact O-CD 3.44Å; C174-R178 WeakPolarHBondContact O-CG 3.26Å; C174-R178 PolarHBondContact O-N 2.9Å
175	D	49.8	Very low	45	Very low	56 Å²	56	98.3 Å²	98.3	30%	0.299	48%	0.482	S	S	.	.	H	α-helix	trans	-83.1	-25.3	179	-61.1	-28.7	0	0	0	113	K171 L172 A173 R178 A179	K171-D175 WeakPolarHBondContact O-CB 3.33Å; K171-D175 PolarHBondContact O-N 2.79Å; L172-D175 CarbonylContact O-C 3.44Å; L172-D175 PolarHBondContact O-N 3.04Å; A173-D175 VanDerWaalsContact C-N 3.3Å; A173-D175 PolarHBondContact O-N 2.76Å; D175-R178 WeakPolarHBondContact OD1-CD 3.16Å; D175-R178 IonicContact OD1-CZ 2.7Å; D175-R178 IonicContact OD1-NE 3.69Å; D175-R178 IonicContact OD1-NH1 2.7Å; D175-R178 PolarHBondContact OD1-NH1 2.91Å; D175-A179 WeakPolarHBondContact O-CB 3.15Å; D175-A179 PolarHBondContact O-N 2.97Å
176	I	52	Low	45.3	Very low	26 Å²	26	95.9 Å²	95.9	13%	0.133	48%	0.478	C	S	.	.	H	α-helix	trans	-68.8	-45.3	165.7	-73.4	160.4	0	0	0	109.3	L172 A179 A180 L190 V220	L172-I176 HydrophobicContact CD1-CD1 4.16Å; L172-I176 HydrophobicContact CD1-CG1 3.87Å; L172-I176 HydrophobicContact CG-CD1 3.98Å; L172-I176 HydrophobicContact CG-CG1 4.21Å; L172-I176 VanDerWaalsContact O-CB 3.27Å; L172-I176 WeakPolarHBondContact O-CB 3.4Å; L172-I176 WeakPolarHBondContact O-CD1 3.38Å; L172-I176 WeakPolarHBondContact O-CG1 3.42Å; L172-I176 PolarHBondContact O-N 3.12Å; I176-A179 PolarHBondContact O-N 2.89Å; I176-A180 VanDerWaalsContact O-CB 3.27Å; I176-A180 WeakPolarHBondContact O-CB 3.48Å; I176-A180 PolarHBondContact O-N 3.29Å; I176-L190 HydrophobicContact CD1-CD2 4Å; I176-L190 HydrophobicContact CG1-CD2 4.04Å; I176-V220 HydrophobicContact CB-CG1 4.45Å; I176-V220 HydrophobicContact CG2-CB 4.25Å; I176-V220 HydrophobicContact CG2-CG1 3.92Å; I176-V220 HydrophobicContact CG2-CG2 4.17Å
177	V	48.8	Very low	45.7	Very low	50 Å²	50	92.3 Å²	92.3	30%	0.303	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-47.5	172.9	168.6	0	0	0	0	110.2	A173 A179 A180 F181	A173-V177 WeakPolarHBondContact O-CB 3.31Å; A173-V177 VanDerWaalsContact O-CG2 3.22Å; A173-V177 WeakPolarHBondContact O-CG2 3.28Å; A173-V177 PolarHBondContact O-N 3.21Å; V177-A179 PolarHBondContact O-N 2.76Å; V177-A180 PolarHBondContact O-N 3.4Å; V177-F181 HydrophobicContact CG1-CD2 3.78Å; V177-F181 HydrophobicContact CG1-CE2 4.09Å; V177-F181 WeakPolarHBondContact O-CB 3.32Å; V177-F181 VanDerWaalsContact O-CD2 3.26Å; V177-F181 WeakPolarHBondContact O-CD2 3.27Å; V177-F181 PolarHBondContact O-N 3.18Å
178	R	47.2	Very low	46.1	Very low	144 Å²	144	93.2 Å²	93.2	54%	0.543	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-40.7	175	-71.6	160.1	-170.4	139	6.3	112.5	C174 D175 F181 A182	C174-R178 WeakPolarHBondContact O-CB 3.4Å; C174-R178 WeakPolarHBondContact O-CD 3.44Å; C174-R178 WeakPolarHBondContact O-CG 3.26Å; C174-R178 PolarHBondContact O-N 2.9Å; D175-R178 WeakPolarHBondContact OD1-CD 3.16Å; D175-R178 IonicContact OD1-CZ 2.7Å; D175-R178 IonicContact OD1-NE 3.69Å; D175-R178 IonicContact OD1-NH1 2.7Å; D175-R178 PolarHBondContact OD1-NH1 2.91Å; R178-F181 CarbonylContact O-C 3.51Å; R178-F181 PolarHBondContact O-N 3.39Å; R178-A182 WeakPolarHBondContact O-CB 3.38Å; R178-A182 PolarHBondContact O-N 3.24Å
179	A	48.1	Very low	46.7	Very low	19 Å²	19	94.8 Å²	94.8	16%	0.157	47%	0.472	C	S	.	.	H	α-helix	trans	-63.7	-46	178	0	0	0	0	0	111.3	D175 I176 V177 F181 A182 D183 V185	D175-A179 WeakPolarHBondContact O-CB 3.15Å; D175-A179 PolarHBondContact O-N 2.97Å; I176-A179 PolarHBondContact O-N 2.89Å; V177-A179 PolarHBondContact O-N 2.76Å; A179-F181 VanDerWaalsContact C-N 3.28Å; A179-F181 PolarHBondContact O-N 2.92Å; A179-A182 PolarHBondContact O-N 3.19Å; A179-D183 PolarHBondContact O-N 3.28Å; A179-V185 HydrophobicContact CB-CB 3.95Å; A179-V185 HydrophobicContact CB-CG2 4.28Å
180	A	44.2	Very low	47	Very low	60 Å²	60	89.5 Å²	89.5	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-26.8	176.2	0	0	0	0	0	113.5	I176 V177	I176-A180 VanDerWaalsContact O-CB 3.27Å; I176-A180 WeakPolarHBondContact O-CB 3.48Å; I176-A180 PolarHBondContact O-N 3.29Å; V177-A180 PolarHBondContact O-N 3.4Å
181	F	43.7	Very low	47.1	Very low	181 Å²	181	91.7 Å²	91.7	79%	0.794	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	4.4	176.5	-79.3	-67.9	0	0	0	114.8	V177 R178 A179	V177-F181 HydrophobicContact CG1-CD2 3.78Å; V177-F181 HydrophobicContact CG1-CE2 4.09Å; V177-F181 WeakPolarHBondContact O-CB 3.32Å; V177-F181 VanDerWaalsContact O-CD2 3.26Å; V177-F181 WeakPolarHBondContact O-CD2 3.27Å; V177-F181 PolarHBondContact O-N 3.18Å; R178-F181 CarbonylContact O-C 3.51Å; R178-F181 PolarHBondContact O-N 3.39Å; A179-F181 VanDerWaalsContact C-N 3.28Å; A179-F181 PolarHBondContact O-N 2.92Å
182	A	44.1	Very low	47.5	Very low	46 Å²	46	85.1 Å²	85.1	38%	0.38	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	13.1	-173.4	0	0	0	0	0	116.3	R178 A179 R184	R178-A182 WeakPolarHBondContact O-CB 3.38Å; R178-A182 PolarHBondContact O-N 3.24Å; A179-A182 PolarHBondContact O-N 3.19Å; A182-R184 WeakPolarHBondContact O-CB 3.44Å; A182-R184 VanDerWaalsContact O-CD 3.24Å; A182-R184 WeakPolarHBondContact O-CD 3.39Å; A182-R184 WeakPolarHBondContact O-CG 3.29Å; A182-R184 PolarHBondContact O-N 2.77Å
183	D	47.1	Very low	48	Very low	168 Å²	168	86.7 Å²	86.7	90%	0.898	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	25.1	174.2	-72.4	-28.2	0	0	0	115.6	A179	A179-D183 PolarHBondContact O-N 3.28Å
184	R	41	Very low	47.8	Very low	219 Å²	219	88.4 Å²	88.4	83%	0.826	45%	0.451	S	S	*	.			trans	-125.1	-0.4	-161.1	-84.8	165.1	-169.2	-107.7	-1.7	117.8	A182	A182-R184 WeakPolarHBondContact O-CB 3.44Å; A182-R184 VanDerWaalsContact O-CD 3.24Å; A182-R184 WeakPolarHBondContact O-CD 3.39Å; A182-R184 WeakPolarHBondContact O-CG 3.29Å; A182-R184 PolarHBondContact O-N 2.77Å
185	V	45	Very low	47.8	Very low	99 Å²	99	92.7 Å²	92.7	60%	0.6	46%	0.462	S	S	*	.	S	Bend	trans	-140.7	136.4	162	-173.6	0	0	0	0	107.3	A179 L187	A179-V185 HydrophobicContact CB-CB 3.95Å; A179-V185 HydrophobicContact CB-CG2 4.28Å; V185-L187 PolarHBondContact O-N 2.9Å
186	Q	47.5	Very low	47.7	Very low	119 Å²	119	96.8 Å²	96.8	56%	0.556	47%	0.473	S	S	*	.			trans	-66	102.1	177.4	-76.9	-175.5	-5.5	0	0	109.8	E188 E189 L190	Q186-E188 HydrophobicContact CB-CB 4.4Å; Q186-E188 PolarHBondContact O-N 2.83Å; Q186-E189 HydrophobicContact CB-CB 3.82Å; Q186-E189 WeakPolarHBondContact O-CB 3.4Å; Q186-E189 PolarHBondContact O-N 3.28Å; Q186-L190 PolarHBondContact O-N 2.91Å
187	L	46.2	Very low	47.5	Very low	73 Å²	73	99.1 Å²	99.1	38%	0.382	50%	0.496	S	S	.	.	H	α-helix	trans	-53.1	-33.2	164.1	179.3	61.3	0	0	0	110	V185 E189 L190 L191	V185-L187 PolarHBondContact O-N 2.9Å; L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 3.11Å; L187-L190 PolarHBondContact O-N 2.66Å; L187-L191 HydrophobicContact CD1-CD1 4.42Å; L187-L191 HydrophobicContact CD1-CG 4.32Å; L187-L191 HydrophobicContact CD2-CD1 4.48Å; L187-L191 HydrophobicContact CG-CD1 3.9Å; L187-L191 HydrophobicContact CG-CG 4.27Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.23Å; L187-L191 WeakPolarHBondContact O-CG 3.24Å; L187-L191 PolarHBondContact O-N 2.74Å
188	E	49.8	Very low	47	Very low	131 Å²	131	101.1 Å²	101.1	61%	0.612	51%	0.505	S	S	*	.	H	α-helix	trans	-57.1	-33.7	171.8	-57.5	-172.3	109.8	0	0	114.2	Q186 L191 A192 R195	Q186-E188 HydrophobicContact CB-CB 4.4Å; Q186-E188 PolarHBondContact O-N 2.83Å; E188-L191 CarbonylContact O-C 3.52Å; E188-A192 WeakPolarHBondContact O-CA 3.3Å; E188-A192 WeakPolarHBondContact O-CB 3.34Å; E188-A192 PolarHBondContact O-N 2.7Å; E188-R195 PolarHBondContact O-NH2 3.01Å
189	E	53	Low	46.7	Very low	113 Å²	113	101.8 Å²	101.8	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-79	-40.4	-179.3	-172.2	171.3	-138.7	0	0	111.2	Q186 L187 A192 E193	Q186-E189 HydrophobicContact CB-CB 3.82Å; Q186-E189 WeakPolarHBondContact O-CB 3.4Å; Q186-E189 PolarHBondContact O-N 3.28Å; L187-E189 VanDerWaalsContact C-N 3.28Å; L187-E189 PolarHBondContact O-N 3.11Å; E189-A192 CarbonylContact O-C 3.48Å; E189-A192 WeakPolarHBondContact O-CB 3.22Å; E189-A192 PolarHBondContact O-N 2.8Å; E189-A192 VanDerWaalsContact O-N 3.16Å; E189-E193 PolarHBondContact O-N 3.2Å
190	L	47.1	Very low	46.2	Very low	78 Å²	78	105.2 Å²	105.2	41%	0.408	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-45.5	169.7	-175.7	70	0	0	0	111	I176 Q186 L187 A192 E193 C194	I176-L190 HydrophobicContact CD1-CD2 4Å; I176-L190 HydrophobicContact CG1-CD2 4.04Å; Q186-L190 PolarHBondContact O-N 2.91Å; L187-L190 PolarHBondContact O-N 2.66Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 2.89Å; L190-E193 PolarHBondContact O-N 3.24Å; L190-E193 VanDerWaalsContact O-N 3.17Å; L190-C194 PolarHBondContact O-N 3.35Å; L190-C194 PolarHBondContact O-SG 2.9Å
191	L	50.3	Low	45.9	Very low	56 Å²	56	109.3 Å²	109.3	29%	0.293	55%	0.552	S	S	.	*	H	α-helix	trans	-65.3	-28.6	172.7	-70.5	173.9	0	0	0	111.8	L187 E188 R195	L187-L191 HydrophobicContact CD1-CD1 4.42Å; L187-L191 HydrophobicContact CD1-CG 4.32Å; L187-L191 HydrophobicContact CD2-CD1 4.48Å; L187-L191 HydrophobicContact CG-CD1 3.9Å; L187-L191 HydrophobicContact CG-CG 4.27Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.23Å; L187-L191 WeakPolarHBondContact O-CG 3.24Å; L187-L191 PolarHBondContact O-N 2.74Å; E188-L191 CarbonylContact O-C 3.52Å; L191-R195 VanDerWaalsContact O-CB 3.31Å; L191-R195 WeakPolarHBondContact O-CB 3.43Å; L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 2.85Å; L191-R195 PolarHBondContact O-NE 3.32Å
192	A	54.7	Low	45.3	Very low	18 Å²	18	105.2 Å²	105.2	15%	0.149	55%	0.546	C	S	.	.	H	α-helix	trans	-71.6	-35.4	172.7	0	0	0	0	0	111.1	E188 E189 L190 R195 R196	E188-A192 WeakPolarHBondContact O-CA 3.3Å; E188-A192 WeakPolarHBondContact O-CB 3.34Å; E188-A192 PolarHBondContact O-N 2.7Å; E189-A192 CarbonylContact O-C 3.48Å; E189-A192 WeakPolarHBondContact O-CB 3.22Å; E189-A192 PolarHBondContact O-N 2.8Å; E189-A192 VanDerWaalsContact O-N 3.16Å; L190-A192 VanDerWaalsContact C-N 3.25Å; L190-A192 PolarHBondContact O-N 2.89Å; A192-R195 CarbonylContact O-C 3.6Å; A192-R195 PolarHBondContact O-N 2.94Å; A192-R196 WeakPolarHBondContact O-CB 3.21Å; A192-R196 WeakPolarHBondContact O-CD 3.4Å; A192-R196 WeakPolarHBondContact O-CG 3.44Å; A192-R196 PolarHBondContact O-N 2.79Å
193	E	52.7	Low	44.7	Very low	116 Å²	116	107.3 Å²	107.3	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-40.8	173.5	-154.5	69.1	174.3	0	0	111.7	E189 L190 R196 A197	E189-E193 PolarHBondContact O-N 3.2Å; L190-E193 PolarHBondContact O-N 3.24Å; L190-E193 VanDerWaalsContact O-N 3.17Å; E193-R196 PolarHBondContact O-N 3.41Å; E193-R196 VanDerWaalsContact OE2-CD 3.26Å; E193-R196 WeakPolarHBondContact OE2-CD 3.3Å; E193-R196 IonicContact OE2-CZ 3.5Å; E193-R196 IonicContact OE2-NE 2.66Å; E193-R196 IonicContact OE2-NH1 3.8Å; E193-R196 PolarHBondContact OE2-NH1 3.41Å; E193-A197 PolarHBondContact O-N 2.86Å
194	C	45.6	Very low	44.1	Very low	44 Å²	44	106 Å²	106	30%	0.297	56%	0.555	S	S	.	*	H	α-helix	trans	-58.4	-50.3	168.2	-63.3	0	0	0	0	111.5	L190 R196 A197 D198	L190-C194 PolarHBondContact O-N 3.35Å; L190-C194 PolarHBondContact O-SG 2.9Å; C194-R196 VanDerWaalsContact C-N 3.26Å; C194-R196 PolarHBondContact O-N 2.9Å; C194-A197 WeakPolarHBondContact O-CB 3.49Å; C194-A197 PolarHBondContact O-N 3.12Å; C194-D198 PolarHBondContact O-N 2.97Å
195	R	47.1	Very low	44	Very low	131 Å²	131	102.9 Å²	102.9	49%	0.494	56%	0.555	S	S	.	*	H	α-helix	trans	-61.1	-30.3	177.4	-73.9	172.5	-73	-162.6	5.4	112.9	E188 L191 A192 F199	E188-R195 PolarHBondContact O-NH2 3.01Å; L191-R195 VanDerWaalsContact O-CB 3.31Å; L191-R195 WeakPolarHBondContact O-CB 3.43Å; L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 2.85Å; L191-R195 PolarHBondContact O-NE 3.32Å; A192-R195 CarbonylContact O-C 3.6Å; A192-R195 PolarHBondContact O-N 2.94Å; R195-F199 WeakPolarHBondContact O-CD2 3.35Å; R195-F199 PolarHBondContact O-N 2.83Å
196	R	47.1	Very low	43.8	Very low	142 Å²	142	108.8 Å²	108.8	54%	0.536	57%	0.567	S	S	.	*	H	α-helix	trans	-73.2	-36.7	173.1	-73.2	161.6	-164.4	139.2	3.8	111.9	A192 E193 C194 F199	A192-R196 WeakPolarHBondContact O-CB 3.21Å; A192-R196 WeakPolarHBondContact O-CD 3.4Å; A192-R196 WeakPolarHBondContact O-CG 3.44Å; A192-R196 PolarHBondContact O-N 2.79Å; E193-R196 PolarHBondContact O-N 3.41Å; E193-R196 VanDerWaalsContact OE2-CD 3.26Å; E193-R196 WeakPolarHBondContact OE2-CD 3.3Å; E193-R196 IonicContact OE2-CZ 3.5Å; E193-R196 IonicContact OE2-NE 2.66Å; E193-R196 IonicContact OE2-NH1 3.8Å; E193-R196 PolarHBondContact OE2-NH1 3.41Å; C194-R196 VanDerWaalsContact C-N 3.26Å; C194-R196 PolarHBondContact O-N 2.9Å; R196-F199 WeakPolarHBondContact O-CB 3.46Å; R196-F199 PolarHBondContact O-N 2.89Å
197	A	46.5	Very low	43.6	Very low	74 Å²	74	105.7 Å²	105.7	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-66.9	-38.7	175.7	0	0	0	0	0	112.2	E193 C194 F199	E193-A197 PolarHBondContact O-N 2.86Å; C194-A197 WeakPolarHBondContact O-CB 3.49Å; C194-A197 PolarHBondContact O-N 3.12Å; A197-F199 VanDerWaalsContact C-N 3.29Å; A197-F199 PolarHBondContact O-N 3.32Å
198	D	40.1	Very low	43.2	Very low	93 Å²	93	106.8 Å²	106.8	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-69.8	-24.2	174.7	-69.4	-39.6	0	0	0	113.1	C194 A200 I201	C194-D198 PolarHBondContact O-N 2.97Å; D198-A200 PolarHBondContact O-N 2.99Å; D198-I201 PolarHBondContact O-N 3.03Å
199	F	40.3	Very low	42.8	Very low	158 Å²	158	103.3 Å²	103.3	69%	0.693	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	0.1	-173.5	-126.1	-88.1	0	0	0	115.4	R195 R196 A197	R195-F199 WeakPolarHBondContact O-CD2 3.35Å; R195-F199 PolarHBondContact O-N 2.83Å; R196-F199 WeakPolarHBondContact O-CB 3.46Å; R196-F199 PolarHBondContact O-N 2.89Å; A197-F199 VanDerWaalsContact C-N 3.29Å; A197-F199 PolarHBondContact O-N 3.32Å
200	A	37.5	Very low	42.3	Very low	90 Å²	90	101.5 Å²	101.5	74%	0.744	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.6	173.9	0	0	0	0	0	114.1	D198	D198-A200 PolarHBondContact O-N 2.99Å
201	I	36.7	Very low	41.9	Very low	147 Å²	147	106.3 Å²	106.3	75%	0.754	56%	0.564	S	S	*	*	S	Bend	trans	-133.2	110.7	-176.3	-54.9	-178	0	0	0	111.7	D198	D198-I201 PolarHBondContact O-N 3.03Å
202	S	31.8	Very low	41.3	Very low	95 Å²	95	108 Å²	108	66%	0.664	57%	0.571	S	S	*	*			trans	63.2	89.6	173.9	-159.9	0	0	0	0	117.4	L204	S202-L204 PolarHBondContact O-N 2.96Å; S202-L204 VanDerWaalsContact O-N 3.14Å; S202-L204 PolarHBondContact OG-O 2.7Å; S202-L204 VanDerWaalsContact OG-O 3.1Å
203	A	30.9	Very low	40.7	Very low	89 Å²	89	111.5 Å²	111.5	74%	0.736	59%	0.586	S	S	*	*	S	Bend	trans	-79.5	26.2	167.1	0	0	0	0	0	113.9
204	L	35.9	Very low	40.2	Very low	140 Å²	140	112.8 Å²	112.8	73%	0.733	59%	0.592	S	S	*	*	S	Bend	trans	-135.3	149	-179.8	-72.9	165.5	0	0	0	109.6	S202	S202-L204 PolarHBondContact O-N 2.96Å; S202-L204 VanDerWaalsContact O-N 3.14Å; S202-L204 PolarHBondContact OG-O 2.7Å; S202-L204 VanDerWaalsContact OG-O 3.1Å
205	D	39.2	Very low	40.2	Very low	155 Å²	155	114.5 Å²	114.5	83%	0.829	61%	0.609	S	S	*	*			trans	63	68.9	-178	-63.5	-13.7	0	0	0	117.1	S207	D205-S207 PolarHBondContact O-N 3.23Å; D205-S207 VanDerWaalsContact O-N 3.08Å
206	R	40.2	Very low	40.6	Very low	222 Å²	222	110.2 Å²	110.2	84%	0.838	60%	0.597	S	S	*	*			trans	-59.8	105.6	161.1	-74.2	-161.5	179.8	177.5	0.3	111.2	D210	R206-D210 WeakPolarHBondContact CB-OD2 3.3Å; R206-D210 VanDerWaalsContact CD-OD2 3.3Å; R206-D210 WeakPolarHBondContact CD-OD2 3.46Å; R206-D210 WeakPolarHBondContact CG-OD2 3.48Å
207	S	42.4	Very low	41	Very low	55 Å²	55	109.2 Å²	109.2	39%	0.385	60%	0.603	S	S	.	*			trans	-90.6	172.6	-177.7	84.5	0	0	0	0	112.4	D205 V209 D210	D205-S207 PolarHBondContact O-N 3.23Å; D205-S207 VanDerWaalsContact O-N 3.08Å; S207-V209 PolarHBondContact O-N 2.7Å; S207-V209 WeakPolarHBondContact OG-CB 3.36Å; S207-V209 WeakPolarHBondContact OG-CG2 3.49Å; S207-V209 PolarHBondContact OG-N 2.7Å; S207-D210 PolarHBondContact O-N 3.44Å; S207-D210 VanDerWaalsContact O-N 3.08Å
208	P	37.9	Very low	42	Very low	95 Å²	95	114 Å²	114	62%	0.617	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-55.4	-16.5	172.7	-26.4	36.3	0	0	0	115.1	D210 R211	P208-D210 PolarHBondContact O-N 2.77Å; P208-R211 PolarHBondContact O-N 3.43Å
209	V	42.5	Very low	43.2	Very low	58 Å²	58	111.8 Å²	111.8	35%	0.352	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-62.2	-27.5	175	-179.6	0	0	0	0	112.3	S207 R211 M212 M213	S207-V209 PolarHBondContact O-N 2.7Å; S207-V209 WeakPolarHBondContact OG-CB 3.36Å; S207-V209 WeakPolarHBondContact OG-CG2 3.49Å; S207-V209 PolarHBondContact OG-N 2.7Å; V209-R211 VanDerWaalsContact C-N 3.3Å; V209-R211 PolarHBondContact O-N 3.33Å; V209-M212 HydrophobicContact CG1-CE 4.12Å; V209-M212 CarbonylContact O-C 3.58Å; V209-M212 WeakPolarHBondContact O-CA 3.46Å; V209-M212 VanDerWaalsContact O-CB 3.3Å; V209-M212 WeakPolarHBondContact O-CB 3.43Å; V209-M212 PolarHBondContact O-N 3.4Å; V209-M213 PolarHBondContact O-N 3.16Å
210	D	41	Very low	44.4	Very low	76 Å²	76	106.2 Å²	106.2	41%	0.406	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-62	-37.9	176.8	-72.9	-10.6	0	0	0	111.8	R206 S207 P208 M212 M213	R206-D210 WeakPolarHBondContact CB-OD2 3.3Å; R206-D210 VanDerWaalsContact CD-OD2 3.3Å; R206-D210 WeakPolarHBondContact CD-OD2 3.46Å; R206-D210 WeakPolarHBondContact CG-OD2 3.48Å; S207-D210 PolarHBondContact O-N 3.44Å; S207-D210 VanDerWaalsContact O-N 3.08Å; P208-D210 PolarHBondContact O-N 2.77Å; D210-M212 PolarHBondContact O-N 2.96Å; D210-M213 WeakPolarHBondContact O-CB 3.47Å; D210-M213 PolarHBondContact O-N 2.94Å; D210-M213 VanDerWaalsContact O-N 3.09Å
211	R	38.8	Very low	46	Very low	179 Å²	179	103.7 Å²	103.7	68%	0.675	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-71.2	-12.4	172.6	-75.8	-179	-75.6	-175.8	-5.6	113.4	P208 V209	P208-R211 PolarHBondContact O-N 3.43Å; V209-R211 VanDerWaalsContact C-N 3.3Å; V209-R211 PolarHBondContact O-N 3.33Å
212	M	37.9	Very low	47.8	Very low	91 Å²	91	100.1 Å²	100.1	45%	0.448	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-90	-4.2	171.8	-164.1	172.4	54.4	0	0	112.6	V209 D210 R364	V209-M212 HydrophobicContact CG1-CE 4.12Å; V209-M212 CarbonylContact O-C 3.58Å; V209-M212 WeakPolarHBondContact O-CA 3.46Å; V209-M212 VanDerWaalsContact O-CB 3.3Å; V209-M212 WeakPolarHBondContact O-CB 3.43Å; V209-M212 PolarHBondContact O-N 3.4Å; D210-M212 PolarHBondContact O-N 2.96Å; M212-R364 PolarHBondContact O-NH2 2.96Å
213	M	43.6	Very low	49.9	Very low	92 Å²	92	96 Å²	96	45%	0.453	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.7	167.7	-63.1	-71.6	-84.6	0	0	112	V209 D210 A215 T216	V209-M213 PolarHBondContact O-N 3.16Å; D210-M213 WeakPolarHBondContact O-CB 3.47Å; D210-M213 PolarHBondContact O-N 2.94Å; D210-M213 VanDerWaalsContact O-N 3.09Å; M213-A215 PolarHBondContact O-N 2.97Å; M213-T216 WeakPolarHBondContact O-CB 3.47Å; M213-T216 VanDerWaalsContact O-CG2 3.23Å; M213-T216 WeakPolarHBondContact O-CG2 3.31Å; M213-T216 PolarHBondContact O-OG1 2.82Å
214	E	40.9	Very low	51.9	Low	143 Å²	143	92.7 Å²	92.7	67%	0.668	48%	0.48	S	S	*	.	S	Bend	trans	-65.7	-19.6	172.8	-61.2	174.1	151.2	0	0	112.1	T216	E214-T216 VanDerWaalsContact C-N 3.26Å; E214-T216 PolarHBondContact O-N 3.42Å
215	A	46.2	Very low	54.1	Low	79 Å²	79	92.4 Å²	92.4	65%	0.653	47%	0.47	S	S	*	.			trans	-87.4	40.3	176.5	0	0	0	0	0	113.3	M213	M213-A215 PolarHBondContact O-N 2.97Å
216	T	54.7	Low	56.3	Low	41 Å²	41	85.4 Å²	85.4	25%	0.252	43%	0.432	S	S	.	.			trans	-92.8	-22.6	-172.3	29.5	0	0	0	0	115.6	M213 E214 Y218 I219	M213-T216 WeakPolarHBondContact O-CB 3.47Å; M213-T216 VanDerWaalsContact O-CG2 3.23Å; M213-T216 WeakPolarHBondContact O-CG2 3.31Å; M213-T216 PolarHBondContact O-OG1 2.82Å; E214-T216 VanDerWaalsContact C-N 3.26Å; E214-T216 PolarHBondContact O-N 3.42Å; T216-Y218 VanDerWaalsContact C-N 3.25Å; T216-Y218 PolarHBondContact O-N 2.87Å; T216-I219 HydrophobicContact CG2-CG2 4.46Å; T216-I219 VanDerWaalsContact O-CG2 3.29Å; T216-I219 WeakPolarHBondContact O-CG2 3.12Å; T216-I219 PolarHBondContact O-N 3.32Å
217	D	55.2	Low	58.3	Low	122 Å²	122	75.5 Å²	75.5	65%	0.652	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	-47.5	-172.2	-54	-13.6	0	0	0	114.8
218	Y	68.8	Low	60.3	Low	173 Å²	173	76.5 Å²	76.5	68%	0.678	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-5.9	-173.3	-57.4	-78.7	0	0	0	114.2	T216 V220 G221 I222	T216-Y218 VanDerWaalsContact C-N 3.25Å; T216-Y218 PolarHBondContact O-N 2.87Å; Y218-V220 PolarHBondContact O-N 3.24Å; Y218-G221 PolarHBondContact O-N 2.98Å; Y218-I222 WeakPolarHBondContact O-CB 3.34Å; Y218-I222 WeakPolarHBondContact O-CD1 3.4Å; Y218-I222 VanDerWaalsContact O-CG1 3.23Å; Y218-I222 WeakPolarHBondContact O-CG1 3.02Å; Y218-I222 PolarHBondContact O-N 3.02Å
219	I	66	Low	62.8	Low	47 Å²	47	73.3 Å²	73.3	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-41	-168	-159.7	174.9	0	0	0	112.6	T216 M223	T216-I219 HydrophobicContact CG2-CG2 4.46Å; T216-I219 VanDerWaalsContact O-CG2 3.29Å; T216-I219 WeakPolarHBondContact O-CG2 3.12Å; T216-I219 PolarHBondContact O-N 3.32Å; I219-M223 HydrophobicContact CG1-CE 4.39Å; I219-M223 WeakPolarHBondContact O-CG 3.26Å; I219-M223 PolarHBondContact O-N 2.73Å
220	V	65.4	Low	65.1	Low	42 Å²	42	71 Å²	71	26%	0.255	36%	0.36	S	S	.	.	H	α-helix	trans	-72	-41.8	178.2	-177.9	0	0	0	0	110.7	I176 Y218 I222 M223 A224	I176-V220 HydrophobicContact CB-CG1 4.45Å; I176-V220 HydrophobicContact CG2-CB 4.25Å; I176-V220 HydrophobicContact CG2-CG1 3.92Å; I176-V220 HydrophobicContact CG2-CG2 4.17Å; Y218-V220 PolarHBondContact O-N 3.24Å; V220-I222 PolarHBondContact O-N 3.11Å; V220-M223 HydrophobicContact CG2-CE 4.4Å; V220-M223 PolarHBondContact O-N 3.35Å; V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.93Å
221	G	69.4	Low	67.2	Low	36 Å²	36	69.9 Å²	69.9	37%	0.371	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-42.7	174.8	0	0	0	0	0	112.6	Y218 Y225	Y218-G221 PolarHBondContact O-N 2.98Å; G221-Y225 WeakPolarHBondContact O-CB 3.45Å; G221-Y225 PolarHBondContact O-N 3.35Å
222	I	76	Confident	69.6	Low	72 Å²	72	66.1 Å²	66.1	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-41.7	176.3	-69.2	164.3	0	0	0	111.3	Y218 V220 Y225 E226	Y218-I222 WeakPolarHBondContact O-CB 3.34Å; Y218-I222 WeakPolarHBondContact O-CD1 3.4Å; Y218-I222 VanDerWaalsContact O-CG1 3.23Å; Y218-I222 WeakPolarHBondContact O-CG1 3.02Å; Y218-I222 PolarHBondContact O-N 3.02Å; V220-I222 PolarHBondContact O-N 3.11Å; I222-Y225 PolarHBondContact O-N 3.18Å; I222-E226 HydrophobicContact CG2-CG 4.47Å; I222-E226 WeakPolarHBondContact O-CG 3.22Å; I222-E226 PolarHBondContact O-N 3.1Å
223	M	74	Confident	72	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-48.1	176.2	-74.3	-173.6	-63	0	0	111.9	I219 V220 Y225 E226 Q227 R361 Y362 I585	I219-M223 HydrophobicContact CG1-CE 4.39Å; I219-M223 WeakPolarHBondContact O-CG 3.26Å; I219-M223 PolarHBondContact O-N 2.73Å; V220-M223 HydrophobicContact CG2-CE 4.4Å; V220-M223 PolarHBondContact O-N 3.35Å; M223-Y225 VanDerWaalsContact C-N 3.31Å; M223-Y225 PolarHBondContact O-N 3.45Å; M223-E226 PolarHBondContact O-N 2.82Å; M223-Q227 WeakPolarHBondContact O-CB 3.11Å; M223-Q227 WeakPolarHBondContact O-CG 3.35Å; M223-Q227 PolarHBondContact O-N 3.32Å; M223-R361 HydrophobicContact CG-CB 4.26Å; M223-R361 HydrophobicContact SD-CB 3.86Å; M223-Y362 HydrophobicContact SD-CD1 4.38Å; M223-Y362 HydrophobicContact SD-CE1 4.35Å; M223-I585 HydrophobicContact CE-CG2 3.73Å; M223-I585 HydrophobicContact SD-CG2 3.72Å
224	A	73.4	Confident	74	Confident	18 Å²	18	68.5 Å²	68.5	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-37.1	177.2	0	0	0	0	0	112.1	F168 V220 T228	F168-A224 HydrophobicContact CE1-CB 4.39Å; V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.93Å; A224-T228 VanDerWaalsContact O-CB 3.24Å; A224-T228 WeakPolarHBondContact O-CB 3.16Å; A224-T228 PolarHBondContact O-N 3.49Å; A224-T228 PolarHBondContact O-OG1 3.42Å
225	Y	83.3	Confident	76.4	Confident	135 Å²	135	63.1 Å²	63.1	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-48.2	175.2	177.9	-113.7	0	0	0	112.1	G221 I222 M223 T228 R229	G221-Y225 WeakPolarHBondContact O-CB 3.45Å; G221-Y225 PolarHBondContact O-N 3.35Å; I222-Y225 PolarHBondContact O-N 3.18Å; M223-Y225 VanDerWaalsContact C-N 3.31Å; M223-Y225 PolarHBondContact O-N 3.45Å; Y225-T228 PolarHBondContact O-N 2.92Å; Y225-R229 VanDerWaalsContact CE1-CD 3.44Å; Y225-R229 HydrophobicContact CE1-CG 4.37Å; Y225-R229 HydrophobicContact CE2-CG 4.25Å; Y225-R229 WeakPolarHBondContact O-CG 3.42Å; Y225-R229 PolarHBondContact O-N 3.21Å
226	E	84.7	Confident	78.6	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-36.2	179.6	-65.8	-69.7	104.1	0	0	112.2	I222 M223 R229 E230 H351 F358	I222-E226 HydrophobicContact CG2-CG 4.47Å; I222-E226 WeakPolarHBondContact O-CG 3.22Å; I222-E226 PolarHBondContact O-N 3.1Å; M223-E226 PolarHBondContact O-N 2.82Å; E226-R229 PolarHBondContact O-N 3.23Å; E226-R229 VanDerWaalsContact OE1-CD 3.3Å; E226-R229 WeakPolarHBondContact OE1-CD 3.48Å; E226-R229 IonicContact OE1-CZ 2.66Å; E226-R229 IonicContact OE1-NE 3.21Å; E226-R229 IonicContact OE1-NH1 2.78Å; E226-R229 PolarHBondContact OE1-NH1 2.78Å; E226-R229 IonicContact OE2-NH1 3.26Å; E226-E230 PolarHBondContact O-N 3.33Å; E226-H351 IonicContact OE1-NE2 3.06Å; E226-H351 IonicContact OE2-CD2 3.52Å; E226-H351 IonicContact OE2-CE1 2.69Å; E226-H351 IonicContact OE2-NE2 3.18Å; E226-H351 PolarHBondContact OE2-NE2 3.47Å; E226-F358 HydrophobicContact CB-CE1 3.92Å; E226-F358 HydrophobicContact CB-CZ 3.72Å
227	Q	82.5	Confident	80.5	Confident	14 Å²	14	62 Å²	62	7%	0.065	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-42.6	170.6	-73.4	164.9	-10.4	0	0	111.3	F168 M223 R229 E230 A231 F358 Y362 I585	F168-Q227 VanDerWaalsContact CE2-OE1 3.25Å; F168-Q227 VanDerWaalsContact CZ-OE1 3.3Å; M223-Q227 WeakPolarHBondContact O-CB 3.11Å; M223-Q227 WeakPolarHBondContact O-CG 3.35Å; M223-Q227 PolarHBondContact O-N 3.32Å; Q227-R229 VanDerWaalsContact C-N 3.3Å; Q227-R229 PolarHBondContact O-N 3.42Å; Q227-E230 PolarHBondContact O-N 2.95Å; Q227-A231 PolarHBondContact O-N 3.24Å; Q227-F358 HydrophobicContact CG-CE1 3.86Å; Q227-F358 HydrophobicContact CG-CZ 4.16Å; Q227-Y362 PolarHBondContact NE2-OH 3.16Å; Q227-Y362 VanDerWaalsContact NE2-OH 3.11Å; Q227-I585 PolarHBondContact NE2-O 3.01Å; Q227-I585 VanDerWaalsContact NE2-O 3.11Å
228	T	85.2	Confident	82.4	Confident	76 Å²	76	61 Å²	61	47%	0.466	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-33.3	175.3	-59.2	0	0	0	0	111.9	A224 Y225	A224-T228 VanDerWaalsContact O-CB 3.24Å; A224-T228 WeakPolarHBondContact O-CB 3.16Å; A224-T228 PolarHBondContact O-N 3.49Å; A224-T228 PolarHBondContact O-OG1 3.42Å; Y225-T228 PolarHBondContact O-N 2.92Å
229	R	88.8	Confident	83.8	Confident	27 Å²	27	55.4 Å²	55.4	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-46.1	174.1	-77.2	175.8	67.3	-179.4	9.7	112.4	Y225 E226 Q227 A231 K232 F235 H351 P353	Y225-R229 VanDerWaalsContact CE1-CD 3.44Å; Y225-R229 HydrophobicContact CE1-CG 4.37Å; Y225-R229 HydrophobicContact CE2-CG 4.25Å; Y225-R229 WeakPolarHBondContact O-CG 3.42Å; Y225-R229 PolarHBondContact O-N 3.21Å; E226-R229 PolarHBondContact O-N 3.23Å; E226-R229 VanDerWaalsContact OE1-CD 3.3Å; E226-R229 WeakPolarHBondContact OE1-CD 3.48Å; E226-R229 IonicContact OE1-CZ 2.66Å; E226-R229 IonicContact OE1-NE 3.21Å; E226-R229 IonicContact OE1-NH1 2.78Å; E226-R229 PolarHBondContact OE1-NH1 2.78Å; E226-R229 IonicContact OE2-NH1 3.26Å; Q227-R229 VanDerWaalsContact C-N 3.3Å; Q227-R229 PolarHBondContact O-N 3.42Å; R229-A231 PolarHBondContact O-N 3.26Å; R229-A231 VanDerWaalsContact O-N 3.16Å; R229-K232 WeakPolarHBondContact O-CB 3.34Å; R229-K232 PolarHBondContact O-N 2.68Å; R229-F235 HydrophobicContact CB-CD2 4.26Å; R229-F235 HydrophobicContact CB-CE2 4.4Å; R229-F235 VanDerWaalsContact O-CD2 3.22Å; R229-F235 WeakPolarHBondContact O-CD2 3.42Å; R229-H351 VanDerWaalsContact CZ-CD2 3.5Å; R229-H351 PolarHBondContact NH1-CD2 3.08Å; R229-H351 PolarHBondContact NH1-NE2 3.12Å; R229-H351 VanDerWaalsContact NH1-NE2 3.17Å; R229-H351 PolarHBondContact NH2-CD2 3.21Å; R229-H351 PolarHBondContact NH2-O 3.2Å; R229-P353 HydrophobicContact CB-CG 4.42Å
230	E	90.7	Very high	85.3	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-28.4	-175.9	96.2	-168.1	130	0	0	112.5	E226 Q227 K232 Q236 P353 R394 E395 S396	E226-E230 PolarHBondContact O-N 3.33Å; Q227-E230 PolarHBondContact O-N 2.95Å; E230-K232 VanDerWaalsContact C-N 3.3Å; E230-K232 PolarHBondContact O-N 2.81Å; E230-Q236 PolarHBondContact O-NE2 3.43Å; E230-P353 HydrophobicContact CB-CB 3.84Å; E230-P353 HydrophobicContact CB-CG 3.61Å; E230-R394 HydrophobicContact CG-CG 4.24Å; E230-E395 PolarHBondContact OE2-N 2.96Å; E230-S396 WeakPolarHBondContact OE1-CB 3.42Å; E230-S396 PolarHBondContact OE1-OG 3.32Å; E230-S396 PolarHBondContact OE2-N 3.43Å; E230-S396 PolarHBondContact OE2-OG 3.49Å
231	A	86.3	Confident	86.7	Confident	54 Å²	54	53.1 Å²	53.1	45%	0.446	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	175.4	0	0	0	0	0	115	Q227 R229	Q227-A231 PolarHBondContact O-N 3.24Å; R229-A231 PolarHBondContact O-N 3.26Å; R229-A231 VanDerWaalsContact O-N 3.16Å
232	K	89.3	Confident	88	Confident	100 Å²	100	55.5 Å²	55.5	44%	0.435	30%	0.297	S	S	.	.	S	Bend	trans	-76.5	149.2	177.3	-60.5	-177.2	176.2	-170.7	0	111.8	R229 E230 D234 F235 Q236	R229-K232 WeakPolarHBondContact O-CB 3.34Å; R229-K232 PolarHBondContact O-N 2.68Å; E230-K232 VanDerWaalsContact C-N 3.3Å; E230-K232 PolarHBondContact O-N 2.81Å; K232-D234 PolarHBondContact O-N 2.92Å; K232-F235 HydrophobicContact CB-CD2 4.23Å; K232-F235 PolarHBondContact O-N 2.97Å; K232-Q236 PolarHBondContact O-N 2.86Å
233	E	87.4	Confident	89	Confident	139 Å²	139	55.1 Å²	55.1	65%	0.65	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.9	-177.9	-54	-165.8	142.2	0	0	112.8	R165 F235 R288	R165-E233 IonicContact NH2-OE1 3.39Å; R165-E233 PolarHBondContact NH2-OE1 3.3Å; E233-F235 VanDerWaalsContact C-N 3.26Å; E233-F235 PolarHBondContact O-N 3.25Å; E233-R288 PolarHBondContact O-NH2 3.01Å
234	D	85.6	Confident	90.1	Very high	93 Å²	93	57 Å²	57	50%	0.497	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.1	172.2	-40.3	-48.1	0	0	0	112.5	K232 R288 R352	K232-D234 PolarHBondContact O-N 2.92Å; D234-R288 PolarHBondContact O-NH2 3.46Å; D234-R288 VanDerWaalsContact O-NH2 3.12Å; D234-R352 PolarHBondContact O-NH1 3.3Å; D234-R352 PolarHBondContact O-NH2 3.37Å
235	F	91.5	Very high	91.2	Very high	31 Å²	31	60 Å²	60	14%	0.136	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-23.4	-173.2	-66.1	-66.5	0	0	0	113.7	R229 K232 E233 A349 H351 R352 P353	R229-F235 HydrophobicContact CB-CD2 4.26Å; R229-F235 HydrophobicContact CB-CE2 4.4Å; R229-F235 VanDerWaalsContact O-CD2 3.22Å; R229-F235 WeakPolarHBondContact O-CD2 3.42Å; K232-F235 HydrophobicContact CB-CD2 4.23Å; K232-F235 PolarHBondContact O-N 2.97Å; E233-F235 VanDerWaalsContact C-N 3.26Å; E233-F235 PolarHBondContact O-N 3.25Å; F235-A349 HydrophobicContact CE1-CB 4.41Å; F235-H351 WeakPolarHBondContact CE1-O 3.38Å; F235-R352 HydrophobicContact CD1-CB 4.36Å; F235-R352 HydrophobicContact CD1-CG 4.07Å; F235-R352 HydrophobicContact CE1-CG 4.16Å; F235-R352 PolarHBondContact O-NH1 2.82Å; F235-P353 HydrophobicContact CB-CG 4.34Å; F235-P353 VanDerWaalsContact CD1-CD 3.45Å; F235-P353 HydrophobicContact CD1-CG 4.38Å; F235-P353 HydrophobicContact CG-CG 4.3Å
236	Q	92.4	Very high	91.8	Very high	66 Å²	66	53.8 Å²	53.8	31%	0.308	31%	0.311	S	S	.	.			trans	-61.7	156	169.2	-66.6	-66	-92.5	0	0	112.1	E230 K232 R288	E230-Q236 PolarHBondContact O-NE2 3.43Å; K232-Q236 PolarHBondContact O-N 2.86Å; Q236-R288 PolarHBondContact O-NH1 2.82Å; Q236-R288 PolarHBondContact O-NH2 3.32Å
237	V	95	Very high	92.3	Very high	31 Å²	31	57.9 Å²	57.9	19%	0.188	34%	0.339	C	S	.	.			trans	-135.1	126.9	175	179.1	0	0	0	0	107.6	F240 Y283 D287 L392	V237-F240 HydrophobicContact CG1-CD1 4.2Å; V237-F240 HydrophobicContact CG1-CE1 4.38Å; V237-Y283 HydrophobicContact CG1-CD1 4.39Å; V237-D287 HydrophobicContact CG1-CB 3.88Å; V237-L392 HydrophobicContact CB-CD2 4.46Å; V237-L392 HydrophobicContact CG1-CD2 3.96Å
238	N	95.3	Very high	92.9	Very high	99 Å²	99	60.9 Å²	60.9	53%	0.529	36%	0.355	S	S	.	.			trans	-84.6	166.1	178.8	-50.8	-89.4	0	0	0	110.5	F240 D287 L392	N238-F240 VanDerWaalsContact C-N 3.32Å; N238-F240 PolarHBondContact O-N 2.89Å; N238-D287 WeakPolarHBondContact CB-OD1 3.37Å; N238-D287 PolarHBondContact N-OD2 2.94Å; N238-D287 PolarHBondContact ND2-OD2 3.46Å; N238-L392 WeakPolarHBondContact O-CD2 3.36Å
239	D	97.1	Very high	93.4	Very high	56 Å²	56	58 Å²	58	30%	0.299	34%	0.336	S	S	.	.			trans	-72.4	88.5	172.7	-163.5	-32.1	0	0	0	111	L241 A242 A243 H388 L392	D239-L241 PolarHBondContact O-N 2.7Å; D239-L241 WeakPolarHBondContact OD1-CB 3.47Å; D239-L241 PolarHBondContact OD1-N 3.17Å; D239-A242 HydrophobicContact CB-CB 3.93Å; D239-A242 PolarHBondContact O-N 3.08Å; D239-A242 PolarHBondContact OD1-N 2.94Å; D239-A243 VanDerWaalsContact O-CB 3.23Å; D239-A243 WeakPolarHBondContact O-CB 3.36Å; D239-A243 PolarHBondContact O-N 3.25Å; D239-H388 IonicContact OD1-CD2 3.75Å; D239-H388 IonicContact OD1-CE1 3.69Å; D239-H388 IonicContact OD1-NE2 2.79Å; D239-H388 PolarHBondContact OD1-NE2 3.45Å; D239-H388 IonicContact OD2-CD2 3.55Å; D239-H388 IonicContact OD2-NE2 3.65Å; D239-H388 PolarHBondContact OD2-NE2 2.84Å; D239-L392 HydrophobicContact CB-CD1 3.64Å; D239-L392 WeakPolarHBondContact OD2-CD1 3.25Å
240	F	97.2	Very high	93.6	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.5	178.9	59.5	-101.1	0	0	0	114.1	V237 N238 K245 Q246 L249 L254 Y283 L286 D287 H388	V237-F240 HydrophobicContact CG1-CD1 4.2Å; V237-F240 HydrophobicContact CG1-CE1 4.38Å; N238-F240 VanDerWaalsContact C-N 3.32Å; N238-F240 PolarHBondContact O-N 2.89Å; F240-K245 HydrophobicContact CB-CB 4.2Å; F240-K245 HydrophobicContact CB-CD 4.14Å; F240-K245 PolarHBondContact O-N 2.75Å; F240-Q246 HydrophobicContact CD2-CB 4.45Å; F240-Q246 HydrophobicContact CD2-CG 4.17Å; F240-L249 HydrophobicContact CE2-CD2 3.91Å; F240-L254 HydrophobicContact CE2-CD1 4.14Å; F240-L254 HydrophobicContact CZ-CD1 4.02Å; F240-Y283 AromaticContact CE1-CD1 3.62Å; F240-Y283 HydrophobicContact CE1-CD1 3.62Å; F240-Y283 AromaticContact CE1-CE1 3.87Å; F240-Y283 HydrophobicContact CE1-CE1 3.87Å; F240-Y283 HydrophobicContact CE1-CG 4.1Å; F240-Y283 HydrophobicContact CZ-CD1 4.13Å; F240-Y283 AromaticContact CZ-CE1 3.99Å; F240-Y283 HydrophobicContact CZ-CE1 3.99Å; F240-Y283 HydrophobicContact CZ-CG 4.49Å; F240-L286 HydrophobicContact CD1-CB 3.98Å; F240-L286 HydrophobicContact CD2-CB 3.82Å; F240-L286 HydrophobicContact CE1-CB 3.89Å; F240-L286 HydrophobicContact CE1-CD1 4.39Å; F240-L286 HydrophobicContact CE2-CB 3.74Å; F240-L286 HydrophobicContact CE2-CD1 3.84Å; F240-L286 HydrophobicContact CE2-CG 4.35Å; F240-L286 HydrophobicContact CG-CB 3.95Å; F240-L286 HydrophobicContact CZ-CB 3.78Å; F240-L286 HydrophobicContact CZ-CD1 3.66Å; F240-L286 HydrophobicContact CZ-CG 4.37Å; F240-D287 HydrophobicContact CB-CB 4.21Å; F240-D287 HydrophobicContact CD1-CB 4.16Å; F240-H388 AromaticContact CE1-CE1 3.76Å; F240-H388 AromaticContact CE2-CE1 3.95Å; F240-H388 AromaticContact CZ-CE1 3.57Å; F240-H388 AromaticContact CZ-ND1 3.86Å
241	L	96.6	Very high	93.8	Very high	42 Å²	42	61.9 Å²	61.9	22%	0.22	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-49.9	171.8	-64.6	-173.3	0	0	0	110.1	D239 A243 G244 L249 A251 L254	D239-L241 PolarHBondContact O-N 2.7Å; D239-L241 WeakPolarHBondContact OD1-CB 3.47Å; D239-L241 PolarHBondContact OD1-N 3.17Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 3.02Å; L241-G244 PolarHBondContact O-N 3.01Å; L241-L249 HydrophobicContact CD2-CB 4.33Å; L241-L249 HydrophobicContact CD2-CD2 4.19Å; L241-L249 HydrophobicContact CD2-CG 4.05Å; L241-A251 HydrophobicContact CD1-CB 4.38Å; L241-L254 HydrophobicContact CD1-CD1 3.91Å
242	A	96.8	Very high	93.9	Very high	86 Å²	86	64.4 Å²	64.4	71%	0.711	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.9	176	0	0	0	0	0	112	D239 G244	D239-A242 HydrophobicContact CB-CB 3.93Å; D239-A242 PolarHBondContact O-N 3.08Å; D239-A242 PolarHBondContact OD1-N 2.94Å; A242-G244 PolarHBondContact O-N 3.44Å
243	A	96.8	Very high	94.1	Very high	64 Å²	64	60.1 Å²	60.1	53%	0.529	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.1	173.9	0	0	0	0	0	114.4	D239 L241 K245	D239-A243 VanDerWaalsContact O-CB 3.23Å; D239-A243 WeakPolarHBondContact O-CB 3.36Å; D239-A243 PolarHBondContact O-N 3.25Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 3.02Å; A243-K245 HydrophobicContact CB-CG 4.16Å; A243-K245 PolarHBondContact O-N 3.38Å; A243-K245 VanDerWaalsContact O-N 3.09Å
244	G	96	Very high	94.5	Very high	48 Å²	48	53.6 Å²	53.6	50%	0.495	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	11.9	174.6	0	0	0	0	0	116.1	L241 A242 Q246	L241-G244 PolarHBondContact O-N 3.01Å; A242-G244 PolarHBondContact O-N 3.44Å; G244-Q246 VanDerWaalsContact C-N 3.26Å; G244-Q246 PolarHBondContact O-N 3.41Å
245	K	96.4	Very high	94.8	Very high	81 Å²	81	50.2 Å²	50.2	35%	0.352	31%	0.306	S	S	.	.	S	Bend	trans	-65.9	-26.9	-172.7	-65.2	-176.3	174.8	-178.5	0	113.6	F240 A243 P247 D287	F240-K245 HydrophobicContact CB-CB 4.2Å; F240-K245 HydrophobicContact CB-CD 4.14Å; F240-K245 PolarHBondContact O-N 2.75Å; A243-K245 HydrophobicContact CB-CG 4.16Å; A243-K245 PolarHBondContact O-N 3.38Å; A243-K245 VanDerWaalsContact O-N 3.09Å; K245-P247 WeakPolarHBondContact O-CD 3.25Å; K245-D287 WeakPolarHBondContact CD-O 3.39Å; K245-D287 PolarHBondContact NZ-O 3.43Å; K245-D287 IonicContact NZ-OD1 3.09Å; K245-D287 PolarHBondContact NZ-OD1 3.49Å
246	Q	96.7	Very high	94.7	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.023	31%	0.311	C	S	.	.			trans	-123.1	70.2	-177.1	-63	-66.6	-20	0	0	110.4	F240 G244 N248 L249 L286 P290	F240-Q246 HydrophobicContact CD2-CB 4.45Å; F240-Q246 HydrophobicContact CD2-CG 4.17Å; G244-Q246 VanDerWaalsContact C-N 3.26Å; G244-Q246 PolarHBondContact O-N 3.41Å; Q246-N248 PolarHBondContact O-N 2.94Å; Q246-L249 HydrophobicContact CB-CB 3.97Å; Q246-L249 HydrophobicContact CB-CD2 4.13Å; Q246-L249 WeakPolarHBondContact O-CB 3.28Å; Q246-L249 PolarHBondContact O-N 3.06Å; Q246-L286 HydrophobicContact CG-CB 4.15Å; Q246-L286 HydrophobicContact CG-CD2 3.88Å; Q246-L286 VanDerWaalsContact CG-O 3.29Å; Q246-L286 WeakPolarHBondContact CG-O 3.27Å; Q246-L286 PolarHBondContact NE2-O 2.88Å; Q246-L286 VanDerWaalsContact NE2-O 3.12Å; Q246-P290 PolarHBondContact NE2-O 3.46Å
247	P	95.7	Very high	94.7	Very high	95 Å²	95	47.4 Å²	47.4	62%	0.617	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.3	-170.7	26.4	-36.5	0	0	0	114.6	K245	K245-P247 WeakPolarHBondContact O-CD 3.25Å
248	N	95.1	Very high	94.7	Very high	76 Å²	76	46 Å²	46	41%	0.406	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.7	175.6	-64.6	-58.2	0	0	0	113.7	Q246 M253 L292 R294	Q246-N248 PolarHBondContact O-N 2.94Å; N248-M253 WeakPolarHBondContact O-CE 3.38Å; N248-L292 WeakPolarHBondContact CB-O 3.25Å; N248-L292 PolarHBondContact ND2-O 2.98Å; N248-R294 HydrophobicContact CB-CB 4.45Å
249	L	95	Very high	94.5	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.079	26%	0.264	C	S	.	.			trans	-124.5	145.3	-173.6	-179.4	66	0	0	0	111	F240 L241 Q246 M253 L254 L286 I297	F240-L249 HydrophobicContact CE2-CD2 3.91Å; L241-L249 HydrophobicContact CD2-CB 4.33Å; L241-L249 HydrophobicContact CD2-CD2 4.19Å; L241-L249 HydrophobicContact CD2-CG 4.05Å; Q246-L249 HydrophobicContact CB-CB 3.97Å; Q246-L249 HydrophobicContact CB-CD2 4.13Å; Q246-L249 WeakPolarHBondContact O-CB 3.28Å; Q246-L249 PolarHBondContact O-N 3.06Å; L249-M253 HydrophobicContact CD1-CB 3.83Å; L249-M253 HydrophobicContact CD1-CE 4.02Å; L249-L254 HydrophobicContact CD1-CD2 4.19Å; L249-L254 HydrophobicContact CD1-CG 4.06Å; L249-L254 HydrophobicContact CD2-CD2 4.03Å; L249-L254 HydrophobicContact CD2-CG 4.22Å; L249-L254 HydrophobicContact CG-CG 4.27Å; L249-L286 HydrophobicContact CD2-CD1 3.8Å; L249-L286 HydrophobicContact CD2-CD2 3.77Å; L249-L286 HydrophobicContact CD2-CG 4.36Å; L249-I297 HydrophobicContact CB-CD1 4.38Å; L249-I297 HydrophobicContact CD1-CD1 4.16Å; L249-I297 HydrophobicContact CD1-CG2 4.2Å
250	N	93.8	Very high	94.2	Very high	71 Å²	71	39.5 Å²	39.5	38%	0.38	25%	0.252	S	S	.	.			trans	-140	176.1	172.1	73.8	11.3	0	0	0	111.5	D252 M253 L254	N250-D252 PolarHBondContact O-N 3.47Å; N250-D252 PolarHBondContact OD1-N 3.48Å; N250-M253 WeakPolarHBondContact O-CB 3.29Å; N250-M253 PolarHBondContact O-N 3.49Å; N250-M253 WeakPolarHBondContact OD1-CB 3.43Å; N250-M253 WeakPolarHBondContact OD1-CG 3.42Å; N250-M253 PolarHBondContact OD1-N 2.94Å; N250-L254 PolarHBondContact O-N 3.33Å
251	A	93.3	Very high	94	Very high	48 Å²	48	39.6 Å²	39.6	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-34.7	-176.5	0	0	0	0	0	113.9	L241 M253 L254 T255	L241-A251 HydrophobicContact CD1-CB 4.38Å; A251-M253 VanDerWaalsContact C-N 3.35Å; A251-L254 PolarHBondContact O-N 2.82Å; A251-T255 WeakPolarHBondContact O-CB 3.42Å; A251-T255 PolarHBondContact O-N 2.99Å; A251-T255 PolarHBondContact O-OG1 3.28Å
252	D	89.9	Confident	93.8	Very high	106 Å²	106	37.6 Å²	37.6	57%	0.567	24%	0.242	S	C	*	.	H	α-helix	trans	-68	-36.3	176.2	-67.3	-46	0	0	0	111.8	N250 T255 T256	N250-D252 PolarHBondContact O-N 3.47Å; N250-D252 PolarHBondContact OD1-N 3.48Å; D252-T255 WeakPolarHBondContact O-CB 3.27Å; D252-T255 PolarHBondContact O-N 3.02Å; D252-T256 PolarHBondContact O-N 3.43Å; D252-T256 PolarHBondContact O-OG1 3.04Å
253	M	92.9	Very high	93.5	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.054	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-41.3	174.2	-70.1	170.3	55.3	0	0	111.6	L41 N248 L249 N250 A251 T255 T256 L257 R294 I297	L41-M253 HydrophobicContact CD1-CE 3.55Å; L41-M253 HydrophobicContact CD2-CB 3.83Å; L41-M253 HydrophobicContact CD2-CE 3.82Å; L41-M253 HydrophobicContact CD2-CG 3.94Å; L41-M253 HydrophobicContact CG-CE 4.33Å; N248-M253 WeakPolarHBondContact O-CE 3.38Å; L249-M253 HydrophobicContact CD1-CB 3.83Å; L249-M253 HydrophobicContact CD1-CE 4.02Å; N250-M253 WeakPolarHBondContact O-CB 3.29Å; N250-M253 PolarHBondContact O-N 3.49Å; N250-M253 WeakPolarHBondContact OD1-CB 3.43Å; N250-M253 WeakPolarHBondContact OD1-CG 3.42Å; N250-M253 PolarHBondContact OD1-N 2.94Å; A251-M253 VanDerWaalsContact C-N 3.35Å; M253-T255 VanDerWaalsContact C-N 3.32Å; M253-T256 PolarHBondContact O-N 2.83Å; M253-L257 VanDerWaalsContact O-CB 3.28Å; M253-L257 WeakPolarHBondContact O-CB 3.1Å; M253-L257 PolarHBondContact O-N 2.78Å; M253-R294 HydrophobicContact CE-CG 4.32Å; M253-R294 PolarHBondContact SD-NH1 3.35Å; M253-I297 HydrophobicContact CE-CD1 3.46Å; M253-I297 VanDerWaalsContact CE-CD1 3.46Å
254	L	94.9	Very high	93.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-41.2	169.8	-74.9	173.5	0	0	0	111.7	F240 L241 L249 N250 A251 T256 L257 A258 W279 Y283 L286 H388	F240-L254 HydrophobicContact CE2-CD1 4.14Å; F240-L254 HydrophobicContact CZ-CD1 4.02Å; L241-L254 HydrophobicContact CD1-CD1 3.91Å; L249-L254 HydrophobicContact CD1-CD2 4.19Å; L249-L254 HydrophobicContact CD1-CG 4.06Å; L249-L254 HydrophobicContact CD2-CD2 4.03Å; L249-L254 HydrophobicContact CD2-CG 4.22Å; L249-L254 HydrophobicContact CG-CG 4.27Å; N250-L254 PolarHBondContact O-N 3.33Å; A251-L254 PolarHBondContact O-N 2.82Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.09Å; L254-L257 PolarHBondContact O-N 2.78Å; L254-A258 PolarHBondContact O-N 3.24Å; L254-W279 HydrophobicContact CD2-CH2 4.33Å; L254-Y283 HydrophobicContact CD2-CE2 4.18Å; L254-L286 HydrophobicContact CD2-CD1 4.03Å; L254-H388 HydrophobicContact CD1-CB 4.29Å
255	T	91.9	Very high	93.2	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.135	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-39.7	177.3	-55.9	0	0	0	0	111.8	A251 D252 M253 D259 H386	A251-T255 WeakPolarHBondContact O-CB 3.42Å; A251-T255 PolarHBondContact O-N 2.99Å; A251-T255 PolarHBondContact O-OG1 3.28Å; D252-T255 WeakPolarHBondContact O-CB 3.27Å; D252-T255 PolarHBondContact O-N 3.02Å; M253-T255 VanDerWaalsContact C-N 3.32Å; T255-D259 PolarHBondContact O-N 3.18Å; T255-H386 HydrophobicContact CG2-CB 4.14Å
256	T	90.2	Very high	92.9	Very high	37 Å²	37	30.1 Å²	30.1	23%	0.227	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-36.8	175	-50.3	0	0	0	0	111.6	L44 D252 M253 L254 W260	L44-T256 HydrophobicContact CB-CG2 4.05Å; L44-T256 HydrophobicContact CD1-CG2 3.77Å; D252-T256 PolarHBondContact O-N 3.43Å; D252-T256 PolarHBondContact O-OG1 3.04Å; M253-T256 PolarHBondContact O-N 2.83Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 3.09Å; T256-W260 PolarHBondContact O-N 3.44Å; T256-W260 VanDerWaalsContact O-N 3.13Å
257	L	93.1	Very high	92.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-70.8	-35.2	179.3	-167.7	63.6	0	0	0	112.5	M253 L254 W260 L261 L282 I297 A301	M253-L257 VanDerWaalsContact O-CB 3.28Å; M253-L257 WeakPolarHBondContact O-CB 3.1Å; M253-L257 PolarHBondContact O-N 2.78Å; L254-L257 PolarHBondContact O-N 2.78Å; L257-W260 HydrophobicContact CD1-CE3 4.04Å; L257-L261 HydrophobicContact CG-CD1 4.5Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 PolarHBondContact O-N 3.06Å; L257-L282 HydrophobicContact CD2-CD2 3.72Å; L257-I297 HydrophobicContact CD2-CG2 3.79Å; L257-A301 HydrophobicContact CD1-CB 3.89Å; L257-A301 HydrophobicContact CD2-CB 4.14Å; L257-A301 HydrophobicContact CG-CB 4.24Å
258	A	93.8	Very high	92.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-44.9	173.4	0	0	0	0	0	112.1	L254 L261 V262 W279 M385	L254-A258 PolarHBondContact O-N 3.24Å; A258-L261 WeakPolarHBondContact O-CB 3.36Å; A258-L261 PolarHBondContact O-N 2.52Å; A258-V262 PolarHBondContact O-N 2.85Å; A258-V262 VanDerWaalsContact O-N 3.15Å; A258-W279 HydrophobicContact CB-CH2 3.75Å; A258-W279 HydrophobicContact CB-CZ2 4.13Å; A258-W279 HydrophobicContact CB-CZ3 4.28Å; A258-M385 HydrophobicContact CB-CB 3.9Å; A258-M385 WeakPolarHBondContact CB-O 3.43Å
259	D	90.6	Very high	92.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-45.8	177.5	-152.8	1.6	0	0	0	110.9	T255 V262 E263 H386 R669 Q670	T255-D259 PolarHBondContact O-N 3.18Å; D259-V262 PolarHBondContact O-N 3.44Å; D259-E263 PolarHBondContact O-N 3.03Å; D259-E263 VanDerWaalsContact O-N 3.16Å; D259-H386 IonicContact OD1-NE2 3.75Å; D259-R669 WeakPolarHBondContact OD1-CA 3.41Å; D259-R669 WeakPolarHBondContact OD2-CD 3.31Å; D259-R669 IonicContact OD2-CZ 2.65Å; D259-R669 IonicContact OD2-NE 3.75Å; D259-R669 IonicContact OD2-NH1 3.61Å; D259-R669 PolarHBondContact OD2-NH1 2.75Å; D259-Q670 WeakPolarHBondContact OD1-CG 3.37Å; D259-Q670 PolarHBondContact OD1-N 2.95Å
260	W	91.7	Very high	92.5	Very high	14 Å²	14	31.3 Å²	31.3	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-36.5	174.3	-179.7	74.6	0	0	0	113	L44 T256 L257 V262 E263 V264 Q298 A301 C302 I305 T326	L44-W260 HydrophobicContact CD2-CB 4.38Å; L44-W260 HydrophobicContact CD2-CD2 4.15Å; L44-W260 HydrophobicContact CD2-CG 3.87Å; T256-W260 PolarHBondContact O-N 3.44Å; T256-W260 VanDerWaalsContact O-N 3.13Å; L257-W260 HydrophobicContact CD1-CE3 4.04Å; W260-V262 VanDerWaalsContact C-N 3.29Å; W260-V262 PolarHBondContact O-N 3.17Å; W260-E263 WeakPolarHBondContact O-CB 2.97Å; W260-E263 PolarHBondContact O-N 3.36Å; W260-E263 VanDerWaalsContact O-N 3.14Å; W260-V264 HydrophobicContact CD2-CG2 3.99Å; W260-V264 HydrophobicContact CE3-CG2 4.2Å; W260-V264 HydrophobicContact CH2-CG2 3.64Å; W260-V264 HydrophobicContact CZ2-CG2 3.41Å; W260-V264 VanDerWaalsContact CZ2-CG2 3.41Å; W260-V264 HydrophobicContact CZ3-CG2 4.05Å; W260-V264 WeakPolarHBondContact O-CG2 3.44Å; W260-V264 PolarHBondContact O-N 3.13Å; W260-Q298 HydrophobicContact CE3-CG 4.25Å; W260-Q298 HydrophobicContact CH2-CG 3.79Å; W260-Q298 HydrophobicContact CZ2-CG 4.09Å; W260-Q298 VanDerWaalsContact CZ2-NE2 3.29Å; W260-Q298 HydrophobicContact CZ3-CG 3.86Å; W260-A301 HydrophobicContact CZ3-CB 4.42Å; W260-C302 VanDerWaalsContact CH2-SG 3.53Å; W260-I305 HydrophobicContact CZ3-CD1 4.47Å; W260-T326 HydrophobicContact CZ2-CG2 4.38Å
261	L	93.7	Very high	92.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-40.4	175.1	-117	65.1	0	0	0	112	L257 A258 V264 Q265 I275 W279 A301 I305 M385	L257-L261 HydrophobicContact CG-CD1 4.5Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 PolarHBondContact O-N 3.06Å; A258-L261 WeakPolarHBondContact O-CB 3.36Å; A258-L261 PolarHBondContact O-N 2.52Å; L261-V264 PolarHBondContact O-N 2.65Å; L261-Q265 PolarHBondContact O-N 3.31Å; L261-I275 HydrophobicContact CB-CD1 3.89Å; L261-I275 HydrophobicContact CB-CG1 4.47Å; L261-I275 HydrophobicContact CD2-CD1 4.01Å; L261-I275 HydrophobicContact CG-CD1 3.72Å; L261-I275 WeakPolarHBondContact O-CD1 3.28Å; L261-W279 HydrophobicContact CD2-CE3 3.59Å; L261-W279 HydrophobicContact CD2-CZ3 4.13Å; L261-A301 HydrophobicContact CD1-CB 4.04Å; L261-I305 HydrophobicContact CD1-CD1 3.89Å; L261-I305 HydrophobicContact CG-CD1 4.04Å; L261-I305 HydrophobicContact CG-CG1 4.5Å; L261-M385 HydrophobicContact CB-CE 4.37Å; L261-M385 HydrophobicContact CD2-CE 4.09Å
262	V	91.8	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-31.7	176.4	174.8	0	0	0	0	111.5	A258 D259 W260 Q265 E266 E382 Q670 S671 K674	A258-V262 PolarHBondContact O-N 2.85Å; A258-V262 VanDerWaalsContact O-N 3.15Å; D259-V262 PolarHBondContact O-N 3.44Å; W260-V262 VanDerWaalsContact C-N 3.29Å; W260-V262 PolarHBondContact O-N 3.17Å; V262-Q265 WeakPolarHBondContact O-CB 3.44Å; V262-Q265 PolarHBondContact O-N 2.95Å; V262-E266 WeakPolarHBondContact O-CG 3.04Å; V262-E266 PolarHBondContact O-N 2.94Å; V262-E382 WeakPolarHBondContact CG1-OE2 3.46Å; V262-E382 HydrophobicContact CG2-CB 4.48Å; V262-E382 HydrophobicContact CG2-CG 4.39Å; V262-Q670 HydrophobicContact CB-CB 4.43Å; V262-Q670 HydrophobicContact CG1-CB 4.21Å; V262-S671 WeakPolarHBondContact CG2-OG 3.38Å; V262-K674 HydrophobicContact CG1-CD 3.87Å
263	E	89.8	Confident	92.9	Very high	26 Å²	26	27.4 Å²	27.4	12%	0.121	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-42.8	167.4	-177.2	155	-137.7	0	0	112.5	R49 D259 W260 Q265 E266 N267 Q670	R49-E263 IonicContact NH1-OE1 2.76Å; D259-E263 PolarHBondContact O-N 3.03Å; D259-E263 VanDerWaalsContact O-N 3.16Å; W260-E263 WeakPolarHBondContact O-CB 2.97Å; W260-E263 PolarHBondContact O-N 3.36Å; W260-E263 VanDerWaalsContact O-N 3.14Å; E263-Q265 VanDerWaalsContact C-N 3.33Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-N267 WeakPolarHBondContact CG-ND2 3.38Å; E263-N267 WeakPolarHBondContact O-CB 3.49Å; E263-N267 PolarHBondContact O-N 2.71Å; E263-N267 PolarHBondContact O-ND2 2.97Å; E263-Q670 HydrophobicContact CB-CG 3.97Å; E263-Q670 PolarHBondContact OE1-NE2 3.44Å; E263-Q670 PolarHBondContact OE2-NE2 3.42Å
264	V	92.1	Very high	93.1	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-39.2	174.7	179.3	0	0	0	0	111.2	W260 L261 E266 N267 F268 I305 I325	W260-V264 HydrophobicContact CD2-CG2 3.99Å; W260-V264 HydrophobicContact CE3-CG2 4.2Å; W260-V264 HydrophobicContact CH2-CG2 3.64Å; W260-V264 HydrophobicContact CZ2-CG2 3.41Å; W260-V264 VanDerWaalsContact CZ2-CG2 3.41Å; W260-V264 HydrophobicContact CZ3-CG2 4.05Å; W260-V264 WeakPolarHBondContact O-CG2 3.44Å; W260-V264 PolarHBondContact O-N 3.13Å; L261-V264 PolarHBondContact O-N 2.65Å; V264-E266 PolarHBondContact O-N 3.04Å; V264-N267 PolarHBondContact O-N 3.39Å; V264-F268 HydrophobicContact CG1-CD2 3.56Å; V264-F268 HydrophobicContact CG1-CE2 3.7Å; V264-F268 PolarHBondContact O-N 2.77Å; V264-F268 VanDerWaalsContact O-N 3.08Å; V264-I305 HydrophobicContact CB-CD1 4.24Å; V264-I305 HydrophobicContact CG1-CD1 3.89Å; V264-I325 HydrophobicContact CB-CD1 4.37Å; V264-I325 HydrophobicContact CG1-CD1 4.34Å; V264-I325 HydrophobicContact CG2-CD1 3.96Å
265	Q	94.3	Very high	93.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-47.4	176.3	-164.8	-161.4	-11.5	0	0	111.6	L261 V262 E263 A269 L270 H272 I275	L261-Q265 PolarHBondContact O-N 3.31Å; V262-Q265 WeakPolarHBondContact O-CB 3.44Å; V262-Q265 PolarHBondContact O-N 2.95Å; E263-Q265 VanDerWaalsContact C-N 3.33Å; Q265-A269 CarbonylContact O-C 3.57Å; Q265-A269 WeakPolarHBondContact O-CA 3.32Å; Q265-A269 PolarHBondContact O-N 2.81Å; Q265-L270 HydrophobicContact CG-CB 3.9Å; Q265-L270 WeakPolarHBondContact CG-O 3.41Å; Q265-L270 PolarHBondContact NE2-O 3.12Å; Q265-L270 PolarHBondContact O-N 2.78Å; Q265-H272 PolarHBondContact NE2-ND1 3.3Å; Q265-I275 HydrophobicContact CB-CB 4.4Å; Q265-I275 HydrophobicContact CB-CD1 4.18Å; Q265-I275 HydrophobicContact CB-CG1 4.18Å; Q265-I275 HydrophobicContact CG-CB 4.05Å; Q265-I275 HydrophobicContact CG-CG1 4.38Å; Q265-I275 HydrophobicContact CG-CG2 4.41Å
266	E	90.6	Very high	93.5	Very high	94 Å²	94	26.5 Å²	26.5	44%	0.439	15%	0.146	S	C	.	.	H	α-helix	trans	-68.9	-43.7	179.9	-64.5	-58.3	97.4	0	0	112.3	V262 E263 V264 F268 A269 K674	V262-E266 WeakPolarHBondContact O-CG 3.04Å; V262-E266 PolarHBondContact O-N 2.94Å; E263-E266 PolarHBondContact O-N 3.26Å; V264-E266 PolarHBondContact O-N 3.04Å; E266-F268 VanDerWaalsContact C-N 3.29Å; E266-F268 PolarHBondContact O-N 2.73Å; E266-A269 PolarHBondContact O-N 2.91Å; E266-K674 VanDerWaalsContact CD-CD 3.44Å; E266-K674 HydrophobicContact CG-CB 4.5Å; E266-K674 HydrophobicContact CG-CD 4.01Å; E266-K674 HydrophobicContact CG-CG 4.38Å; E266-K674 VanDerWaalsContact OE1-CD 3.24Å; E266-K674 WeakPolarHBondContact OE1-CD 3.46Å; E266-K674 WeakPolarHBondContact OE1-CE 3.44Å; E266-K674 IonicContact OE1-NZ 3.42Å; E266-K674 PolarHBondContact OE1-NZ 3.14Å; E266-K674 WeakPolarHBondContact OE2-CG 3.17Å
267	N	91	Very high	93.8	Very high	82 Å²	82	24.9 Å²	24.9	44%	0.439	14%	0.136	S	C	.	.	H	α-helix	trans	-63.4	-33.5	-179.3	-81.7	-75.1	0	0	0	113.1	E263 V264 I325	E263-N267 WeakPolarHBondContact CG-ND2 3.38Å; E263-N267 WeakPolarHBondContact O-CB 3.49Å; E263-N267 PolarHBondContact O-N 2.71Å; E263-N267 PolarHBondContact O-ND2 2.97Å; V264-N267 PolarHBondContact O-N 3.39Å; N267-I325 HydrophobicContact CB-CD1 3.89Å
268	F	94.3	Very high	94.1	Very high	38 Å²	38	24.9 Å²	24.9	17%	0.167	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6.6	176.7	-63.1	-27.5	0	0	0	113.5	V264 E266 L270 P317 E321 F322 I325	V264-F268 HydrophobicContact CG1-CD2 3.56Å; V264-F268 HydrophobicContact CG1-CE2 3.7Å; V264-F268 PolarHBondContact O-N 2.77Å; V264-F268 VanDerWaalsContact O-N 3.08Å; E266-F268 VanDerWaalsContact C-N 3.29Å; E266-F268 PolarHBondContact O-N 2.73Å; F268-L270 HydrophobicContact CB-CD1 4.22Å; F268-L270 HydrophobicContact CB-CD2 3.85Å; F268-L270 HydrophobicContact CB-CG 3.74Å; F268-L270 PolarHBondContact O-N 2.84Å; F268-P317 HydrophobicContact CB-CG 3.84Å; F268-P317 HydrophobicContact CD1-CB 4.38Å; F268-P317 HydrophobicContact CD1-CG 4.2Å; F268-P317 HydrophobicContact CD2-CB 4.27Å; F268-P317 HydrophobicContact CD2-CG 3.8Å; F268-P317 HydrophobicContact CE1-CB 4.49Å; F268-P317 HydrophobicContact CE2-CB 4.37Å; F268-P317 HydrophobicContact CE2-CG 4.38Å; F268-P317 HydrophobicContact CG-CB 4.28Å; F268-P317 HydrophobicContact CG-CG 3.7Å; F268-P317 HydrophobicContact CZ-CB 4.48Å; F268-E321 HydrophobicContact CE1-CB 3.89Å; F268-E321 HydrophobicContact CZ-CB 3.96Å; F268-F322 HydrophobicContact CE2-CD1 4.18Å; F268-F322 AromaticContact CE2-CE1 3.97Å; F268-F322 HydrophobicContact CE2-CE1 3.97Å; F268-F322 HydrophobicContact CE2-CZ 4.14Å; F268-I325 HydrophobicContact CE1-CD1 4.29Å; F268-I325 HydrophobicContact CE2-CD1 4.32Å; F268-I325 HydrophobicContact CE2-CG2 4.22Å; F268-I325 HydrophobicContact CZ-CB 4.16Å; F268-I325 HydrophobicContact CZ-CD1 3.99Å; F268-I325 HydrophobicContact CZ-CG2 3.86Å
269	A	93.6	Very high	94.3	Very high	86 Å²	86	25.5 Å²	25.5	71%	0.711	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	36.6	-177.7	0	0	0	0	0	114.9	Q265 E266	Q265-A269 CarbonylContact O-C 3.57Å; Q265-A269 WeakPolarHBondContact O-CA 3.32Å; Q265-A269 PolarHBondContact O-N 2.81Å; E266-A269 PolarHBondContact O-N 2.91Å
270	L	95.5	Very high	94.6	Very high	10 Å²	10	26 Å²	26	5%	0.052	15%	0.145	C	C	.	.			trans	-73.2	148.8	-173.1	-54.3	176.4	0	0	0	112.6	Q265 F268 T274 I305 E313 P317	Q265-L270 HydrophobicContact CG-CB 3.9Å; Q265-L270 WeakPolarHBondContact CG-O 3.41Å; Q265-L270 PolarHBondContact NE2-O 3.12Å; Q265-L270 PolarHBondContact O-N 2.78Å; F268-L270 HydrophobicContact CB-CD1 4.22Å; F268-L270 HydrophobicContact CB-CD2 3.85Å; F268-L270 HydrophobicContact CB-CG 3.74Å; F268-L270 PolarHBondContact O-N 2.84Å; L270-T274 HydrophobicContact CB-CG2 4.44Å; L270-T274 HydrophobicContact CD1-CG2 4.38Å; L270-I305 HydrophobicContact CD1-CG2 3.85Å; L270-E313 HydrophobicContact CD2-CG 4.09Å; L270-P317 HydrophobicContact CD2-CG 4.32Å
271	N	95	Very high	94.9	Very high	80 Å²	80	25.3 Å²	25.3	43%	0.428	14%	0.142	S	C	.	.			trans	-62.8	150.1	175.3	-72	-78.3	0	0	0	111.8	E273 T274 I275 E313	N271-E273 PolarHBondContact O-N 3.15Å; N271-T274 VanDerWaalsContact O-CB 3.29Å; N271-T274 WeakPolarHBondContact O-CB 3.33Å; N271-T274 PolarHBondContact O-N 3.15Å; N271-T274 VanDerWaalsContact O-N 3.08Å; N271-I275 PolarHBondContact O-N 2.99Å; N271-E313 WeakPolarHBondContact CB-OE1 3.33Å; N271-E313 PolarHBondContact N-OE1 3.04Å; N271-E313 PolarHBondContact ND2-OE1 3.27Å; N271-E313 PolarHBondContact ND2-OE2 2.9Å
272	H	94.5	Very high	95.1	Very high	37 Å²	37	25.3 Å²	25.3	17%	0.171	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-24.2	179	-56.3	-96.3	0	0	0	111.5	Q265 I275 H276 Y356 E382 Y675	Q265-H272 PolarHBondContact NE2-ND1 3.3Å; H272-I275 WeakPolarHBondContact O-CG2 3.18Å; H272-H276 PolarHBondContact O-CD2 2.8Å; H272-H276 PolarHBondContact O-N 2.78Å; H272-Y356 HydrophobicContact CB-CD1 3.56Å; H272-Y356 HydrophobicContact CB-CD2 4.43Å; H272-Y356 HydrophobicContact CB-CE1 3.74Å; H272-Y356 HydrophobicContact CB-CG 3.92Å; H272-E382 IonicContact CE1-OE1 2.71Å; H272-E382 PolarHBondContact CE1-OE1 3.09Å; H272-E382 VanDerWaalsContact CE1-OE1 3.27Å; H272-E382 IonicContact ND1-OE1 2.87Å; H272-E382 PolarHBondContact ND1-OE1 3.06Å; H272-Y675 PolarHBondContact CE1-OH 2.79Å
273	E	95.4	Very high	95.4	Very high	26 Å²	26	25.6 Å²	25.6	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-53.6	-54.6	166.2	-67.7	87.4	157.3	0	0	110.3	N271 I275 H276 L277 E312 N354 Y356 V357 R360	N271-E273 PolarHBondContact O-N 3.15Å; E273-I275 PolarHBondContact O-N 2.89Å; E273-H276 PolarHBondContact O-N 3.2Å; E273-L277 VanDerWaalsContact O-CB 3.28Å; E273-L277 WeakPolarHBondContact O-CB 3.43Å; E273-L277 PolarHBondContact O-N 3.42Å; E273-E312 HydrophobicContact CB-CG 4.22Å; E273-E312 WeakPolarHBondContact CB-OE2 3.27Å; E273-N354 PolarHBondContact O-ND2 3.47Å; E273-Y356 HydrophobicContact CG-CD1 4.02Å; E273-Y356 HydrophobicContact CG-CE1 4.47Å; E273-Y356 WeakPolarHBondContact OE2-CD1 3.29Å; E273-Y356 WeakPolarHBondContact OE2-CE1 3.31Å; E273-V357 HydrophobicContact CG-CG2 3.85Å; E273-R360 IonicContact OE1-CZ 2.94Å; E273-R360 IonicContact OE1-NE 3.84Å; E273-R360 IonicContact OE1-NH1 3.96Å; E273-R360 PolarHBondContact OE1-NH1 3.01Å; E273-R360 IonicContact OE1-NH2 3.94Å; E273-R360 PolarHBondContact OE1-NH2 3.27Å
274	T	97.5	Very high	95.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-45.9	-176.9	-45.4	0	0	0	0	112.1	L270 N271 L277 A278 A308 C309 E312 E313	L270-T274 HydrophobicContact CB-CG2 4.44Å; L270-T274 HydrophobicContact CD1-CG2 4.38Å; N271-T274 VanDerWaalsContact O-CB 3.29Å; N271-T274 WeakPolarHBondContact O-CB 3.33Å; N271-T274 PolarHBondContact O-N 3.15Å; N271-T274 VanDerWaalsContact O-N 3.08Å; T274-L277 PolarHBondContact O-N 3.05Å; T274-A278 WeakPolarHBondContact O-CB 3.38Å; T274-A278 PolarHBondContact O-N 2.92Å; T274-A308 HydrophobicContact CG2-CB 3.98Å; T274-A308 WeakPolarHBondContact O-CB 3.36Å; T274-C309 HydrophobicContact CG2-CB 4.37Å; T274-C309 VanDerWaalsContact CG2-SG 3.55Å; T274-E312 WeakPolarHBondContact OG1-CB 3.24Å; T274-E313 WeakPolarHBondContact CB-OE1 3.36Å; T274-E313 HydrophobicContact CG2-CG 3.94Å; T274-E313 PolarHBondContact OG1-OE1 3.27Å
275	I	97	Very high	96.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-70.6	-39	-178.7	-158.7	59.7	0	0	0	112.7	L261 Q265 N271 H272 E273 A278 W279 M385	L261-I275 HydrophobicContact CB-CD1 3.89Å; L261-I275 HydrophobicContact CB-CG1 4.47Å; L261-I275 HydrophobicContact CD2-CD1 4.01Å; L261-I275 HydrophobicContact CG-CD1 3.72Å; L261-I275 WeakPolarHBondContact O-CD1 3.28Å; Q265-I275 HydrophobicContact CB-CB 4.4Å; Q265-I275 HydrophobicContact CB-CD1 4.18Å; Q265-I275 HydrophobicContact CB-CG1 4.18Å; Q265-I275 HydrophobicContact CG-CB 4.05Å; Q265-I275 HydrophobicContact CG-CG1 4.38Å; Q265-I275 HydrophobicContact CG-CG2 4.41Å; N271-I275 PolarHBondContact O-N 2.99Å; H272-I275 WeakPolarHBondContact O-CG2 3.18Å; E273-I275 PolarHBondContact O-N 2.89Å; I275-A278 PolarHBondContact O-N 2.76Å; I275-W279 PolarHBondContact O-N 3.31Å; I275-M385 HydrophobicContact CG1-CE 4.37Å
276	H	97.5	Very high	96.2	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.06	14%	0.137	C	C	.	.	H	α-helix	trans	-72.9	-31.2	176.9	-73.5	-55.2	0	0	0	112.2	H272 E273 G280 P355	H272-H276 PolarHBondContact O-CD2 2.8Å; H272-H276 PolarHBondContact O-N 2.78Å; E273-H276 PolarHBondContact O-N 3.2Å; H276-G280 PolarHBondContact O-N 3.38Å; H276-P355 HydrophobicContact CB-CG 4.12Å
277	L	97.9	Very high	96.5	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-47.4	170.7	-176	61.9	0	0	0	110.6	E273 T274 W279 G280 L281 A308 H311 E312 V350 R352 N354	E273-L277 VanDerWaalsContact O-CB 3.28Å; E273-L277 WeakPolarHBondContact O-CB 3.43Å; E273-L277 PolarHBondContact O-N 3.42Å; T274-L277 PolarHBondContact O-N 3.05Å; L277-W279 VanDerWaalsContact C-N 3.3Å; L277-W279 PolarHBondContact O-N 2.76Å; L277-G280 PolarHBondContact O-N 3.44Å; L277-L281 HydrophobicContact CD1-CG 4.43Å; L277-L281 HydrophobicContact CG-CD1 4.02Å; L277-L281 HydrophobicContact CG-CG 4.39Å; L277-L281 WeakPolarHBondContact O-CB 3.16Å; L277-L281 VanDerWaalsContact O-CG 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.27Å; L277-A308 HydrophobicContact CB-CB 4.09Å; L277-A308 HydrophobicContact CD2-CB 4.02Å; L277-A308 HydrophobicContact CG-CB 4.03Å; L277-H311 HydrophobicContact CD2-CB 3.99Å; L277-E312 HydrophobicContact CD2-CG 3.68Å; L277-V350 WeakPolarHBondContact CD1-O 3.41Å; L277-R352 HydrophobicContact CD1-CB 4.09Å; L277-N354 PolarHBondContact N-ND2 3.08Å
278	A	98.2	Very high	96.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-41.7	175.3	0	0	0	0	0	112.3	T274 I275 L281 L282 A304 I305 A308	T274-A278 WeakPolarHBondContact O-CB 3.38Å; T274-A278 PolarHBondContact O-N 2.92Å; I275-A278 PolarHBondContact O-N 2.76Å; A278-L281 PolarHBondContact O-N 3.35Å; A278-L282 WeakPolarHBondContact O-CB 3.46Å; A278-L282 PolarHBondContact O-N 2.96Å; A278-A304 HydrophobicContact CB-CB 4.5Å; A278-A304 WeakPolarHBondContact O-CB 3.39Å; A278-I305 HydrophobicContact CB-CB 4.4Å; A278-I305 HydrophobicContact CB-CG1 3.84Å; A278-A308 HydrophobicContact CB-CB 3.89Å
279	W	98.1	Very high	96.9	Very high	12 Å²	12	19.1 Å²	19.1	5%	0.045	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-45.4	175	-165.3	-120.6	0	0	0	112.3	L254 A258 L261 I275 L277 L282 Y283 M385 S391	L254-W279 HydrophobicContact CD2-CH2 4.33Å; A258-W279 HydrophobicContact CB-CH2 3.75Å; A258-W279 HydrophobicContact CB-CZ2 4.13Å; A258-W279 HydrophobicContact CB-CZ3 4.28Å; L261-W279 HydrophobicContact CD2-CE3 3.59Å; L261-W279 HydrophobicContact CD2-CZ3 4.13Å; I275-W279 PolarHBondContact O-N 3.31Å; L277-W279 VanDerWaalsContact C-N 3.3Å; L277-W279 PolarHBondContact O-N 2.76Å; W279-L282 HydrophobicContact CE3-CD2 4.12Å; W279-L282 HydrophobicContact CZ3-CD2 4.08Å; W279-L282 PolarHBondContact O-N 2.99Å; W279-Y283 HydrophobicContact CD2-CD2 4.08Å; W279-Y283 AromaticContact CD2-CE2 3.8Å; W279-Y283 HydrophobicContact CD2-CE2 3.8Å; W279-Y283 AromaticContact CE2-CD2 3.98Å; W279-Y283 AromaticContact CE2-CE2 3.3Å; W279-Y283 AromaticContact CE2-CZ 3.9Å; W279-Y283 HydrophobicContact CE3-CD2 4.48Å; W279-Y283 HydrophobicContact CE3-CE2 4.18Å; W279-Y283 HydrophobicContact CG-CD2 4.43Å; W279-Y283 HydrophobicContact CG-CE2 4.49Å; W279-Y283 AromaticContact CH2-CE2 3.8Å; W279-Y283 HydrophobicContact CH2-CE2 3.8Å; W279-Y283 HydrophobicContact CZ2-CD2 4.38Å; W279-Y283 AromaticContact CZ2-CE2 3.33Å; W279-Y283 HydrophobicContact CZ2-CE2 3.33Å; W279-Y283 AromaticContact CZ2-CZ 3.75Å; W279-Y283 WeakPolarHBondContact CZ2-OH 3.12Å; W279-Y283 HydrophobicContact CZ3-CE2 4.19Å; W279-Y283 AromaticContact NE1-CE2 3.66Å; W279-Y283 AromaticContact NE1-CZ 3.99Å; W279-Y283 WeakPolarHBondContact O-CB 3.1Å; W279-Y283 WeakPolarHBondContact O-CD2 3.34Å; W279-Y283 PolarHBondContact O-N 3.26Å; W279-M385 HydrophobicContact CB-CE 4.1Å; W279-M385 HydrophobicContact CD2-CE 3.9Å; W279-M385 HydrophobicContact CD2-CG 4.49Å; W279-M385 HydrophobicContact CE3-CE 4.14Å; W279-M385 HydrophobicContact CG-CE 3.93Å; W279-M385 HydrophobicContact CG-CG 4.25Å; W279-M385 HydrophobicContact CZ2-CB 4.2Å; W279-M385 WeakPolarHBondContact CZ2-O 3.48Å; W279-S391 PolarHBondContact NE1-OG 2.89Å
280	G	97.4	Very high	97	Very high	17 Å²	17	18.4 Å²	18.4	18%	0.175	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-36.3	176.7	0	0	0	0	0	113.9	H276 L277 A284	H276-G280 PolarHBondContact O-N 3.38Å; L277-G280 PolarHBondContact O-N 3.44Å; G280-A284 WeakPolarHBondContact O-CB 3.27Å; G280-A284 PolarHBondContact O-N 3.06Å
281	L	98.2	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-45.2	173.2	-70.9	169.7	0	0	0	111.5	L277 A278 A284 F285 A304 V307 A308 I346	L277-L281 HydrophobicContact CD1-CG 4.43Å; L277-L281 HydrophobicContact CG-CD1 4.02Å; L277-L281 HydrophobicContact CG-CG 4.39Å; L277-L281 WeakPolarHBondContact O-CB 3.16Å; L277-L281 VanDerWaalsContact O-CG 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.27Å; A278-L281 PolarHBondContact O-N 3.35Å; L281-A284 PolarHBondContact O-N 2.91Å; L281-F285 PolarHBondContact O-N 3.39Å; L281-A304 HydrophobicContact CB-CB 4.14Å; L281-V307 HydrophobicContact CD1-CB 4.25Å; L281-V307 HydrophobicContact CD1-CG1 3.87Å; L281-A308 HydrophobicContact CD1-CB 4.16Å; L281-I346 HydrophobicContact CD2-CD1 3.49Å; L281-I346 VanDerWaalsContact CD2-CD1 3.49Å
282	L	98.2	Very high	97.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-45.4	176.2	178.8	63.1	0	0	0	111.5	L257 A278 W279 A284 F285 L286 M300 A301 A304	L257-L282 HydrophobicContact CD2-CD2 3.72Å; A278-L282 WeakPolarHBondContact O-CB 3.46Å; A278-L282 PolarHBondContact O-N 2.96Å; W279-L282 HydrophobicContact CE3-CD2 4.12Å; W279-L282 HydrophobicContact CZ3-CD2 4.08Å; W279-L282 PolarHBondContact O-N 2.99Å; L282-A284 VanDerWaalsContact C-N 3.33Å; L282-A284 PolarHBondContact O-N 3.04Å; L282-F285 WeakPolarHBondContact O-CB 3.44Å; L282-F285 PolarHBondContact O-N 3.39Å; L282-L286 HydrophobicContact CD1-CD1 4.28Å; L282-L286 HydrophobicContact CD1-CG 4.28Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 HydrophobicContact CG-CG 4.45Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.24Å; L282-L286 PolarHBondContact O-N 3.31Å; L282-M300 HydrophobicContact CD1-CB 4.4Å; L282-M300 HydrophobicContact CD1-CG 3.95Å; L282-A301 HydrophobicContact CD1-CB 4.45Å; L282-A301 HydrophobicContact CD2-CB 3.92Å; L282-A304 HydrophobicContact CB-CB 4.05Å
283	Y	97.8	Very high	97.3	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-38.8	177.2	-93.9	-119.2	0	0	0	112.2	V237 F240 L254 W279 F285 L286 D287 H388 S391 L392	V237-Y283 HydrophobicContact CG1-CD1 4.39Å; F240-Y283 AromaticContact CE1-CD1 3.62Å; F240-Y283 HydrophobicContact CE1-CD1 3.62Å; F240-Y283 AromaticContact CE1-CE1 3.87Å; F240-Y283 HydrophobicContact CE1-CE1 3.87Å; F240-Y283 HydrophobicContact CE1-CG 4.1Å; F240-Y283 HydrophobicContact CZ-CD1 4.13Å; F240-Y283 AromaticContact CZ-CE1 3.99Å; F240-Y283 HydrophobicContact CZ-CE1 3.99Å; F240-Y283 HydrophobicContact CZ-CG 4.49Å; L254-Y283 HydrophobicContact CD2-CE2 4.18Å; W279-Y283 HydrophobicContact CD2-CD2 4.08Å; W279-Y283 AromaticContact CD2-CE2 3.8Å; W279-Y283 HydrophobicContact CD2-CE2 3.8Å; W279-Y283 AromaticContact CE2-CD2 3.98Å; W279-Y283 AromaticContact CE2-CE2 3.3Å; W279-Y283 AromaticContact CE2-CZ 3.9Å; W279-Y283 HydrophobicContact CE3-CD2 4.48Å; W279-Y283 HydrophobicContact CE3-CE2 4.18Å; W279-Y283 HydrophobicContact CG-CD2 4.43Å; W279-Y283 HydrophobicContact CG-CE2 4.49Å; W279-Y283 AromaticContact CH2-CE2 3.8Å; W279-Y283 HydrophobicContact CH2-CE2 3.8Å; W279-Y283 HydrophobicContact CZ2-CD2 4.38Å; W279-Y283 AromaticContact CZ2-CE2 3.33Å; W279-Y283 HydrophobicContact CZ2-CE2 3.33Å; W279-Y283 AromaticContact CZ2-CZ 3.75Å; W279-Y283 WeakPolarHBondContact CZ2-OH 3.12Å; W279-Y283 HydrophobicContact CZ3-CE2 4.19Å; W279-Y283 AromaticContact NE1-CE2 3.66Å; W279-Y283 AromaticContact NE1-CZ 3.99Å; W279-Y283 WeakPolarHBondContact O-CB 3.1Å; W279-Y283 WeakPolarHBondContact O-CD2 3.34Å; W279-Y283 PolarHBondContact O-N 3.26Å; Y283-F285 VanDerWaalsContact C-N 3.34Å; Y283-F285 PolarHBondContact O-N 2.77Å; Y283-L286 PolarHBondContact O-N 3.4Å; Y283-D287 PolarHBondContact O-N 2.98Å; Y283-H388 AromaticContact CE1-ND1 3.7Å; Y283-S391 VanDerWaalsContact CZ-CB 3.43Å; Y283-S391 WeakPolarHBondContact OH-CB 3.2Å; Y283-L392 HydrophobicContact CD1-CD2 4.35Å; Y283-L392 HydrophobicContact CE1-CD2 4.47Å
284	A	97.4	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-38.5	173.4	0	0	0	0	0	112.5	G280 L281 L282 R288 I346	G280-A284 WeakPolarHBondContact O-CB 3.27Å; G280-A284 PolarHBondContact O-N 3.06Å; L281-A284 PolarHBondContact O-N 2.91Å; L282-A284 VanDerWaalsContact C-N 3.33Å; L282-A284 PolarHBondContact O-N 3.04Å; A284-R288 WeakPolarHBondContact O-CB 3.5Å; A284-R288 PolarHBondContact O-N 2.72Å; A284-R288 VanDerWaalsContact O-N 3.11Å; A284-I346 HydrophobicContact CB-CG2 3.88Å
285	F	98	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-45.8	172.6	-177.3	-84.9	0	0	0	112.3	L281 L282 Y283 D287 R288 G289 P290 L292 M300 R341 L342 A345	L281-F285 PolarHBondContact O-N 3.39Å; L282-F285 WeakPolarHBondContact O-CB 3.44Å; L282-F285 PolarHBondContact O-N 3.39Å; Y283-F285 VanDerWaalsContact C-N 3.34Å; Y283-F285 PolarHBondContact O-N 2.77Å; F285-D287 PolarHBondContact O-N 2.74Å; F285-R288 PolarHBondContact O-N 3.23Å; F285-G289 VanDerWaalsContact O-CA 3.3Å; F285-G289 WeakPolarHBondContact O-CA 3.23Å; F285-G289 PolarHBondContact O-N 3.04Å; F285-P290 HydrophobicContact CZ-CG 4.17Å; F285-L292 HydrophobicContact CD1-CD1 4.38Å; F285-L292 HydrophobicContact CE1-CD1 4.01Å; F285-L292 HydrophobicContact CE1-CD2 3.63Å; F285-L292 HydrophobicContact CE1-CG 3.81Å; F285-L292 HydrophobicContact CZ-CD2 4.03Å; F285-M300 HydrophobicContact CD1-CE 4.48Å; F285-M300 HydrophobicContact CD1-CG 3.69Å; F285-M300 HydrophobicContact CD1-SD 4.06Å; F285-M300 HydrophobicContact CD2-CE 4.23Å; F285-M300 HydrophobicContact CD2-SD 3.81Å; F285-M300 HydrophobicContact CE1-CE 4.04Å; F285-M300 HydrophobicContact CE1-CG 3.99Å; F285-M300 HydrophobicContact CE1-SD 4.22Å; F285-M300 HydrophobicContact CE2-CE 3.72Å; F285-M300 HydrophobicContact CE2-SD 3.95Å; F285-M300 HydrophobicContact CG-CG 4Å; F285-M300 HydrophobicContact CG-SD 3.87Å; F285-M300 HydrophobicContact CZ-CE 3.62Å; F285-M300 HydrophobicContact CZ-CG 4.49Å; F285-M300 HydrophobicContact CZ-SD 4.16Å; F285-R341 HydrophobicContact CE2-CB 4.35Å; F285-L342 HydrophobicContact CB-CD1 3.75Å; F285-L342 HydrophobicContact CD2-CD1 4.07Å; F285-L342 HydrophobicContact CG-CD1 4.26Å; F285-A345 HydrophobicContact CD2-CB 3.56Å; F285-A345 HydrophobicContact CE2-CB 3.71Å
286	L	97.9	Very high	96.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-27.2	-176.8	-68.1	170	0	0	0	112.5	F240 Q246 L249 L254 L282 Y283 L292	F240-L286 HydrophobicContact CD1-CB 3.98Å; F240-L286 HydrophobicContact CD2-CB 3.82Å; F240-L286 HydrophobicContact CE1-CB 3.89Å; F240-L286 HydrophobicContact CE1-CD1 4.39Å; F240-L286 HydrophobicContact CE2-CB 3.74Å; F240-L286 HydrophobicContact CE2-CD1 3.84Å; F240-L286 HydrophobicContact CE2-CG 4.35Å; F240-L286 HydrophobicContact CG-CB 3.95Å; F240-L286 HydrophobicContact CZ-CB 3.78Å; F240-L286 HydrophobicContact CZ-CD1 3.66Å; F240-L286 HydrophobicContact CZ-CG 4.37Å; Q246-L286 HydrophobicContact CG-CB 4.15Å; Q246-L286 HydrophobicContact CG-CD2 3.88Å; Q246-L286 VanDerWaalsContact CG-O 3.29Å; Q246-L286 WeakPolarHBondContact CG-O 3.27Å; Q246-L286 PolarHBondContact NE2-O 2.88Å; Q246-L286 VanDerWaalsContact NE2-O 3.12Å; L249-L286 HydrophobicContact CD2-CD1 3.8Å; L249-L286 HydrophobicContact CD2-CD2 3.77Å; L249-L286 HydrophobicContact CD2-CG 4.36Å; L254-L286 HydrophobicContact CD2-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CD1 4.28Å; L282-L286 HydrophobicContact CD1-CG 4.28Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 HydrophobicContact CG-CG 4.45Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.24Å; L282-L286 PolarHBondContact O-N 3.31Å; Y283-L286 PolarHBondContact O-N 3.4Å; L286-L292 HydrophobicContact CD2-CD1 4.02Å
287	D	97.2	Very high	96.9	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-88.2	-29.2	176.6	-172.4	33.4	0	0	0	115.1	V237 N238 F240 K245 Y283 F285	V237-D287 HydrophobicContact CG1-CB 3.88Å; N238-D287 WeakPolarHBondContact CB-OD1 3.37Å; N238-D287 PolarHBondContact N-OD2 2.94Å; N238-D287 PolarHBondContact ND2-OD2 3.46Å; F240-D287 HydrophobicContact CB-CB 4.21Å; F240-D287 HydrophobicContact CD1-CB 4.16Å; K245-D287 WeakPolarHBondContact CD-O 3.39Å; K245-D287 PolarHBondContact NZ-O 3.43Å; K245-D287 IonicContact NZ-OD1 3.09Å; K245-D287 PolarHBondContact NZ-OD1 3.49Å; Y283-D287 PolarHBondContact O-N 2.98Å; F285-D287 PolarHBondContact O-N 2.74Å
288	R	95.7	Very high	96.8	Very high	86 Å²	86	29.4 Å²	29.4	33%	0.325	15%	0.152	S	C	.	.	H	α-helix	trans	-112.5	-28.8	-174.2	-65.7	172.1	177	68.7	2.2	114.8	E233 D234 Q236 A284 F285 A345	E233-R288 PolarHBondContact O-NH2 3.01Å; D234-R288 PolarHBondContact O-NH2 3.46Å; D234-R288 VanDerWaalsContact O-NH2 3.12Å; Q236-R288 PolarHBondContact O-NH1 2.82Å; Q236-R288 PolarHBondContact O-NH2 3.32Å; A284-R288 WeakPolarHBondContact O-CB 3.5Å; A284-R288 PolarHBondContact O-N 2.72Å; A284-R288 VanDerWaalsContact O-N 3.11Å; F285-R288 PolarHBondContact O-N 3.23Å; R288-A345 VanDerWaalsContact CB-O 3.24Å; R288-A345 WeakPolarHBondContact CB-O 3.32Å
289	G	96.1	Very high	96.8	Very high	14 Å²	14	29.5 Å²	29.5	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	-81.9	171.2	-176.9	0	0	0	0	0	113.5	F285	F285-G289 VanDerWaalsContact O-CA 3.3Å; F285-G289 WeakPolarHBondContact O-CA 3.23Å; F285-G289 PolarHBondContact O-N 3.04Å
290	P	96.7	Very high	96.8	Very high	71 Å²	71	28.9 Å²	28.9	46%	0.461	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-64.1	157.8	176.8	27.7	-35.7	0	0	0	112.3	Q246 F285 L292	Q246-P290 PolarHBondContact NE2-O 3.46Å; F285-P290 HydrophobicContact CZ-CG 4.17Å; P290-L292 PolarHBondContact O-N 3.07Å
291	P	97.4	Very high	96.8	Very high	85 Å²	85	28.1 Å²	28.1	55%	0.552	14%	0.142	S	C	*	.	P	Polyproline II helix	trans	-55.1	127.6	170.3	-26.1	35.1	0	0	0	112.1
292	L	97.3	Very high	96.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-82.7	143.8	175	-65.3	178.2	0	0	0	111.4	N248 F285 L286 P290 E296 I297 M300	N248-L292 WeakPolarHBondContact CB-O 3.25Å; N248-L292 PolarHBondContact ND2-O 2.98Å; F285-L292 HydrophobicContact CD1-CD1 4.38Å; F285-L292 HydrophobicContact CE1-CD1 4.01Å; F285-L292 HydrophobicContact CE1-CD2 3.63Å; F285-L292 HydrophobicContact CE1-CG 3.81Å; F285-L292 HydrophobicContact CZ-CD2 4.03Å; L286-L292 HydrophobicContact CD2-CD1 4.02Å; P290-L292 PolarHBondContact O-N 3.07Å; L292-E296 HydrophobicContact CB-CB 4.36Å; L292-E296 HydrophobicContact CD2-CB 4.09Å; L292-I297 HydrophobicContact CB-CG1 4.16Å; L292-I297 HydrophobicContact CD1-CG1 4.22Å; L292-M300 HydrophobicContact CD1-CB 3.79Å; L292-M300 HydrophobicContact CD1-CG 4.03Å; L292-M300 HydrophobicContact CD2-CB 4.49Å; L292-M300 HydrophobicContact CD2-CE 4.33Å
293	A	96.3	Very high	96.8	Very high	38 Å²	38	28 Å²	28	31%	0.314	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-70	152.3	160.5	0	0	0	0	0	110.3	R295 E296	A293-R295 HydrophobicContact CB-CG 4.35Å; A293-R295 PolarHBondContact O-N 3.19Å; A293-E296 HydrophobicContact CB-CG 4.28Å; A293-E296 WeakPolarHBondContact CB-OE2 3.31Å; A293-E296 PolarHBondContact N-OE2 3.05Å; A293-E296 PolarHBondContact O-N 2.93Å
294	R	92.9	Very high	96.8	Very high	93 Å²	93	27.9 Å²	27.9	35%	0.351	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.4	179.8	-172	175.7	179.9	102.3	-2.1	113.9	L41 N248 M253	L41-R294 HydrophobicContact CD1-CG 3.6Å; N248-R294 HydrophobicContact CB-CB 4.45Å; M253-R294 HydrophobicContact CE-CG 4.32Å; M253-R294 PolarHBondContact SD-NH1 3.35Å
295	R	93.7	Very high	96.9	Very high	131 Å²	131	27.9 Å²	27.9	49%	0.494	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.5	175.6	76.7	177.2	-171.1	100.6	1.7	114.9	V40 A293 Y330 E334	V40-R295 HydrophobicContact CG2-CB 3.7Å; A293-R295 HydrophobicContact CB-CG 4.35Å; A293-R295 PolarHBondContact O-N 3.19Å; R295-Y330 VanDerWaalsContact O-CE1 3.31Å; R295-Y330 WeakPolarHBondContact O-CE1 3.31Å; R295-Y330 PolarHBondContact O-OH 3.29Å; R295-E334 IonicContact CZ-OE1 2.77Å; R295-E334 IonicContact NH1-OE1 2.86Å; R295-E334 PolarHBondContact NH1-OE1 3.26Å; R295-E334 IonicContact NH2-OE1 3.27Å
296	E	95.9	Very high	96.9	Very high	32 Å²	32	28.3 Å²	28.3	15%	0.15	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-10.7	-172.5	-61.3	179.5	88.3	0	0	113.7	L292 A293 Q298 L299 M300 R341	L292-E296 HydrophobicContact CB-CB 4.36Å; L292-E296 HydrophobicContact CD2-CB 4.09Å; A293-E296 HydrophobicContact CB-CG 4.28Å; A293-E296 WeakPolarHBondContact CB-OE2 3.31Å; A293-E296 PolarHBondContact N-OE2 3.05Å; A293-E296 PolarHBondContact O-N 2.93Å; E296-Q298 PolarHBondContact O-N 2.97Å; E296-L299 WeakPolarHBondContact O-CB 3.47Å; E296-L299 PolarHBondContact O-N 3.5Å; E296-L299 VanDerWaalsContact O-N 3.16Å; E296-M300 WeakPolarHBondContact O-CB 3.37Å; E296-M300 PolarHBondContact O-N 3.49Å; E296-R341 IonicContact OE1-CZ 3.21Å; E296-R341 IonicContact OE1-NH1 3Å; E296-R341 PolarHBondContact OE1-NH1 3.06Å; E296-R341 IonicContact OE1-NH2 2.72Å; E296-R341 PolarHBondContact OE1-NH2 3.29Å
297	I	96.9	Very high	96.9	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-44.4	-172.2	-65	166.5	0	0	0	111.3	L249 M253 L257 L292 A301	L249-I297 HydrophobicContact CB-CD1 4.38Å; L249-I297 HydrophobicContact CD1-CD1 4.16Å; L249-I297 HydrophobicContact CD1-CG2 4.2Å; M253-I297 HydrophobicContact CE-CD1 3.46Å; M253-I297 VanDerWaalsContact CE-CD1 3.46Å; L257-I297 HydrophobicContact CD2-CG2 3.79Å; L292-I297 HydrophobicContact CB-CG1 4.16Å; L292-I297 HydrophobicContact CD1-CG1 4.22Å; I297-A301 WeakPolarHBondContact O-CB 3.33Å; I297-A301 PolarHBondContact O-N 3.11Å; I297-A301 VanDerWaalsContact O-N 3.1Å
298	Q	95.6	Very high	96.9	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.089	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-40.4	174.1	-173.8	-165.6	26.7	0	0	111.5	L44 W260 E296 M300 A301 C302 Y330	L44-Q298 HydrophobicContact CD2-CG 4.3Å; W260-Q298 HydrophobicContact CE3-CG 4.25Å; W260-Q298 HydrophobicContact CH2-CG 3.79Å; W260-Q298 HydrophobicContact CZ2-CG 4.09Å; W260-Q298 VanDerWaalsContact CZ2-NE2 3.29Å; W260-Q298 HydrophobicContact CZ3-CG 3.86Å; E296-Q298 PolarHBondContact O-N 2.97Å; Q298-M300 PolarHBondContact O-N 3.11Å; Q298-A301 CarbonylContact O-C 3.55Å; Q298-A301 WeakPolarHBondContact O-CB 3.43Å; Q298-A301 PolarHBondContact O-N 3.01Å; Q298-C302 PolarHBondContact O-N 3.18Å; Q298-C302 PolarHBondContact O-SG 2.91Å; Q298-Y330 PolarHBondContact OE1-OH 3.45Å
299	L	97.8	Very high	97	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-43.3	177.4	176.1	63.2	0	0	0	112.1	E296 C302 A303 Y330 E334 F335 A338	E296-L299 WeakPolarHBondContact O-CB 3.47Å; E296-L299 PolarHBondContact O-N 3.5Å; E296-L299 VanDerWaalsContact O-N 3.16Å; L299-C302 WeakPolarHBondContact O-CB 3.34Å; L299-C302 PolarHBondContact O-N 3.15Å; L299-A303 PolarHBondContact O-N 3.39Å; L299-Y330 HydrophobicContact CB-CD1 4.03Å; L299-Y330 HydrophobicContact CB-CD2 4.29Å; L299-Y330 HydrophobicContact CB-CE1 3.94Å; L299-Y330 HydrophobicContact CB-CE2 4.21Å; L299-Y330 HydrophobicContact CB-CG 4.22Å; L299-Y330 HydrophobicContact CD1-CD1 4.32Å; L299-Y330 HydrophobicContact CD1-CD2 4.03Å; L299-Y330 HydrophobicContact CD1-CG 3.83Å; L299-Y330 HydrophobicContact CD2-CD1 4.04Å; L299-Y330 HydrophobicContact CD2-CG 4.34Å; L299-Y330 HydrophobicContact CG-CD1 4.35Å; L299-Y330 HydrophobicContact CG-CG 4.35Å; L299-E334 HydrophobicContact CD2-CB 3.94Å; L299-F335 HydrophobicContact CD1-CB 4.43Å; L299-F335 HydrophobicContact CD1-CD1 3.82Å; L299-F335 HydrophobicContact CD1-CD2 4.01Å; L299-F335 HydrophobicContact CD1-CE1 4.09Å; L299-F335 HydrophobicContact CD1-CE2 4.24Å; L299-F335 HydrophobicContact CD1-CG 3.79Å; L299-F335 HydrophobicContact CD1-CZ 4.28Å; L299-A338 HydrophobicContact CD1-CB 4.22Å; L299-A338 HydrophobicContact CD2-CB 4.18Å; L299-A338 HydrophobicContact CG-CB 3.78Å
300	M	98.4	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-36.8	175.5	-172.7	54.2	59.5	0	0	111.9	L282 F285 L292 E296 Q298 A303 A304 A338 R341 L342	L282-M300 HydrophobicContact CD1-CB 4.4Å; L282-M300 HydrophobicContact CD1-CG 3.95Å; F285-M300 HydrophobicContact CD1-CE 4.48Å; F285-M300 HydrophobicContact CD1-CG 3.69Å; F285-M300 HydrophobicContact CD1-SD 4.06Å; F285-M300 HydrophobicContact CD2-CE 4.23Å; F285-M300 HydrophobicContact CD2-SD 3.81Å; F285-M300 HydrophobicContact CE1-CE 4.04Å; F285-M300 HydrophobicContact CE1-CG 3.99Å; F285-M300 HydrophobicContact CE1-SD 4.22Å; F285-M300 HydrophobicContact CE2-CE 3.72Å; F285-M300 HydrophobicContact CE2-SD 3.95Å; F285-M300 HydrophobicContact CG-CG 4Å; F285-M300 HydrophobicContact CG-SD 3.87Å; F285-M300 HydrophobicContact CZ-CE 3.62Å; F285-M300 HydrophobicContact CZ-CG 4.49Å; F285-M300 HydrophobicContact CZ-SD 4.16Å; L292-M300 HydrophobicContact CD1-CB 3.79Å; L292-M300 HydrophobicContact CD1-CG 4.03Å; L292-M300 HydrophobicContact CD2-CB 4.49Å; L292-M300 HydrophobicContact CD2-CE 4.33Å; E296-M300 WeakPolarHBondContact O-CB 3.37Å; E296-M300 PolarHBondContact O-N 3.49Å; Q298-M300 PolarHBondContact O-N 3.11Å; M300-A303 PolarHBondContact O-N 3.34Å; M300-A303 HydrophobicContact SD-CB 4.43Å; M300-A304 PolarHBondContact O-N 3Å; M300-A338 HydrophobicContact CE-CB 4.22Å; M300-R341 HydrophobicContact CE-CB 4.2Å; M300-L342 HydrophobicContact SD-CB 3.88Å; M300-L342 HydrophobicContact SD-CD1 4.35Å
301	A	97.9	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-38.9	171.1	0	0	0	0	0	112.3	L257 W260 L261 L282 I297 Q298 A304 I305	L257-A301 HydrophobicContact CD1-CB 3.89Å; L257-A301 HydrophobicContact CD2-CB 4.14Å; L257-A301 HydrophobicContact CG-CB 4.24Å; W260-A301 HydrophobicContact CZ3-CB 4.42Å; L261-A301 HydrophobicContact CD1-CB 4.04Å; L282-A301 HydrophobicContact CD1-CB 4.45Å; L282-A301 HydrophobicContact CD2-CB 3.92Å; I297-A301 WeakPolarHBondContact O-CB 3.33Å; I297-A301 PolarHBondContact O-N 3.11Å; I297-A301 VanDerWaalsContact O-N 3.1Å; Q298-A301 CarbonylContact O-C 3.55Å; Q298-A301 WeakPolarHBondContact O-CB 3.43Å; Q298-A301 PolarHBondContact O-N 3.01Å; A301-A304 PolarHBondContact O-N 3.46Å; A301-I305 WeakPolarHBondContact O-CG1 3.45Å; A301-I305 PolarHBondContact O-N 3.08Å
302	C	97.7	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-43.6	172.1	-57.6	0	0	0	0	111.9	W260 Q298 L299 A304 I305 M306 F322 F335	W260-C302 VanDerWaalsContact CH2-SG 3.53Å; Q298-C302 PolarHBondContact O-N 3.18Å; Q298-C302 PolarHBondContact O-SG 2.91Å; L299-C302 WeakPolarHBondContact O-CB 3.34Å; L299-C302 PolarHBondContact O-N 3.15Å; C302-A304 VanDerWaalsContact C-N 3.27Å; C302-A304 PolarHBondContact O-N 2.85Å; C302-I305 PolarHBondContact O-N 2.84Å; C302-I305 VanDerWaalsContact O-N 3.13Å; C302-M306 WeakPolarHBondContact O-CG 3.33Å; C302-M306 PolarHBondContact O-N 3.43Å; C302-F322 HydrophobicContact CB-CD1 4.29Å; C302-F335 HydrophobicContact CB-CD1 4.21Å; C302-F335 HydrophobicContact CB-CE1 3.49Å; C302-F335 VanDerWaalsContact CB-CE1 3.49Å; C302-F335 HydrophobicContact CB-CZ 4.38Å
303	A	98.1	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-38	176.3	0	0	0	0	0	111.7	L299 M300 M306 V307 A338 E339 L342	L299-A303 PolarHBondContact O-N 3.39Å; M300-A303 PolarHBondContact O-N 3.34Å; M300-A303 HydrophobicContact SD-CB 4.43Å; A303-M306 PolarHBondContact O-N 2.59Å; A303-V307 WeakPolarHBondContact O-CG2 3.4Å; A303-V307 PolarHBondContact O-N 3.45Å; A303-A338 HydrophobicContact CB-CB 3.86Å; A303-E339 HydrophobicContact CB-CB 4.49Å; A303-L342 HydrophobicContact CB-CD2 4.34Å
304	A	98.5	Very high	96.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-37.9	173.7	0	0	0	0	0	113	A278 L281 L282 M300 A301 C302 A308 L342	A278-A304 HydrophobicContact CB-CB 4.5Å; A278-A304 WeakPolarHBondContact O-CB 3.39Å; L281-A304 HydrophobicContact CB-CB 4.14Å; L282-A304 HydrophobicContact CB-CB 4.05Å; M300-A304 PolarHBondContact O-N 3Å; A301-A304 PolarHBondContact O-N 3.46Å; C302-A304 VanDerWaalsContact C-N 3.27Å; C302-A304 PolarHBondContact O-N 2.85Å; A304-A308 VanDerWaalsContact O-CB 3.29Å; A304-A308 WeakPolarHBondContact O-CB 3.4Å; A304-A308 PolarHBondContact O-N 2.74Å; A304-L342 VanDerWaalsContact CA-CD2 3.44Å; A304-L342 HydrophobicContact CB-CD2 3.97Å
305	I	98.1	Very high	96.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-44.8	171.9	-62.1	164.6	0	0	0	110.6	W260 L261 V264 L270 A278 A301 C302 V307 A308 C309 F322	W260-I305 HydrophobicContact CZ3-CD1 4.47Å; L261-I305 HydrophobicContact CD1-CD1 3.89Å; L261-I305 HydrophobicContact CG-CD1 4.04Å; L261-I305 HydrophobicContact CG-CG1 4.5Å; V264-I305 HydrophobicContact CB-CD1 4.24Å; V264-I305 HydrophobicContact CG1-CD1 3.89Å; L270-I305 HydrophobicContact CD1-CG2 3.85Å; A278-I305 HydrophobicContact CB-CB 4.4Å; A278-I305 HydrophobicContact CB-CG1 3.84Å; A301-I305 WeakPolarHBondContact O-CG1 3.45Å; A301-I305 PolarHBondContact O-N 3.08Å; C302-I305 PolarHBondContact O-N 2.84Å; C302-I305 VanDerWaalsContact O-N 3.13Å; I305-V307 PolarHBondContact O-N 2.9Å; I305-A308 PolarHBondContact O-N 2.82Å; I305-C309 WeakPolarHBondContact O-CB 3.45Å; I305-C309 PolarHBondContact O-N 3.45Å; I305-C309 PolarHBondContact O-SG 3.33Å; I305-F322 HydrophobicContact CB-CE1 4.14Å; I305-F322 HydrophobicContact CG2-CE1 3.8Å; I305-F322 HydrophobicContact CG2-CZ 3.94Å
306	M	98	Very high	96.5	Very high	9 Å²	9	40 Å²	40	4%	0.044	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-48	177	-73.8	168.9	51.8	0	0	112	C302 A303 C309 K310 L319 F322 F335	C302-M306 WeakPolarHBondContact O-CG 3.33Å; C302-M306 PolarHBondContact O-N 3.43Å; A303-M306 PolarHBondContact O-N 2.59Å; M306-C309 PolarHBondContact O-N 3.38Å; M306-K310 WeakPolarHBondContact O-CG 3.29Å; M306-K310 PolarHBondContact O-N 3.23Å; M306-L319 HydrophobicContact CE-CD1 4.2Å; M306-L319 HydrophobicContact SD-CD1 4.14Å; M306-F322 HydrophobicContact CG-CD1 4.16Å; M306-F322 HydrophobicContact CG-CD2 3.96Å; M306-F322 HydrophobicContact CG-CE1 3.89Å; M306-F322 HydrophobicContact CG-CE2 3.67Å; M306-F322 HydrophobicContact CG-CG 4.19Å; M306-F322 HydrophobicContact CG-CZ 3.63Å; M306-F322 HydrophobicContact SD-CD2 4.44Å; M306-F322 HydrophobicContact SD-CG 4.39Å; M306-F335 HydrophobicContact SD-CD1 3.66Å; M306-F335 HydrophobicContact SD-CE1 4.3Å
307	V	98.2	Very high	96.4	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-39.9	177.6	171.5	0	0	0	0	111.5	L281 A303 I305 K310 H311 E339 L342 L343 V350	L281-V307 HydrophobicContact CD1-CB 4.25Å; L281-V307 HydrophobicContact CD1-CG1 3.87Å; A303-V307 WeakPolarHBondContact O-CG2 3.4Å; A303-V307 PolarHBondContact O-N 3.45Å; I305-V307 PolarHBondContact O-N 2.9Å; V307-K310 PolarHBondContact O-N 3.42Å; V307-H311 PolarHBondContact O-N 3.46Å; V307-E339 HydrophobicContact CG2-CG 3.85Å; V307-L342 HydrophobicContact CB-CD2 4.14Å; V307-L342 HydrophobicContact CG2-CD2 3.89Å; V307-L343 HydrophobicContact CG1-CD2 3.97Å; V307-L343 HydrophobicContact CG2-CD2 4.12Å; V307-L343 HydrophobicContact CG2-CG 4.25Å; V307-V350 HydrophobicContact CG1-CB 4.48Å; V307-V350 HydrophobicContact CG1-CG1 3.74Å; V307-V350 HydrophobicContact CG1-CG2 3.89Å
308	A	98.1	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-42.3	174.5	0	0	0	0	0	112.4	T274 L277 A278 L281 A304 I305 K310 H311 E312	T274-A308 HydrophobicContact CG2-CB 3.98Å; T274-A308 WeakPolarHBondContact O-CB 3.36Å; L277-A308 HydrophobicContact CB-CB 4.09Å; L277-A308 HydrophobicContact CD2-CB 4.02Å; L277-A308 HydrophobicContact CG-CB 4.03Å; A278-A308 HydrophobicContact CB-CB 3.89Å; L281-A308 HydrophobicContact CD1-CB 4.16Å; A304-A308 VanDerWaalsContact O-CB 3.29Å; A304-A308 WeakPolarHBondContact O-CB 3.4Å; A304-A308 PolarHBondContact O-N 2.74Å; I305-A308 PolarHBondContact O-N 2.82Å; A308-K310 VanDerWaalsContact C-N 3.32Å; A308-K310 PolarHBondContact O-N 2.92Å; A308-H311 WeakPolarHBondContact O-CB 3.46Å; A308-H311 PolarHBondContact O-N 3.04Å; A308-E312 PolarHBondContact O-N 3.21Å
309	C	97.7	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-35.3	177.6	-64.9	0	0	0	0	112	T274 I305 M306 H311 E313 M316	T274-C309 HydrophobicContact CG2-CB 4.37Å; T274-C309 VanDerWaalsContact CG2-SG 3.55Å; I305-C309 WeakPolarHBondContact O-CB 3.45Å; I305-C309 PolarHBondContact O-N 3.45Å; I305-C309 PolarHBondContact O-SG 3.33Å; M306-C309 PolarHBondContact O-N 3.38Å; C309-H311 PolarHBondContact O-N 2.88Å; C309-E313 HydrophobicContact CB-CB 4.35Å; C309-E313 HydrophobicContact CB-CG 4.04Å; C309-E313 WeakPolarHBondContact O-CB 3.37Å; C309-E313 PolarHBondContact O-N 3.19Å; C309-M316 HydrophobicContact CB-CB 3.86Å; C309-M316 HydrophobicContact CB-CG 3.46Å; C309-M316 VanDerWaalsContact CB-CG 3.46Å; C309-M316 HydrophobicContact CB-SD 4.13Å
310	K	96.7	Very high	96.2	Very high	114 Å²	114	50.9 Å²	50.9	50%	0.496	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-15.3	172.1	-71.5	172.8	-178.7	177.6	0	113.8	M306 V307 A308 M316 E339	M306-K310 WeakPolarHBondContact O-CG 3.29Å; M306-K310 PolarHBondContact O-N 3.23Å; V307-K310 PolarHBondContact O-N 3.42Å; A308-K310 VanDerWaalsContact C-N 3.32Å; A308-K310 PolarHBondContact O-N 2.92Å; K310-M316 HydrophobicContact CD-SD 4.27Å; K310-M316 HydrophobicContact CG-CE 4.34Å; K310-M316 HydrophobicContact CG-SD 3.59Å; K310-M316 VanDerWaalsContact CG-SD 3.59Å; K310-E339 WeakPolarHBondContact CE-OE1 3.35Å; K310-E339 IonicContact NZ-OE1 2.8Å; K310-E339 PolarHBondContact NZ-OE1 3.15Å; K310-E339 IonicContact NZ-OE2 2.7Å; K310-E339 PolarHBondContact NZ-OE2 2.94Å
311	H	95.5	Very high	96.1	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.375	25%	0.248	S	C	.	.	H	α-helix	trans	-100.7	-47.4	-179.3	-167.7	-93.4	0	0	0	112.6	L277 V307 A308 C309 V350 H351	L277-H311 HydrophobicContact CD2-CB 3.99Å; V307-H311 PolarHBondContact O-N 3.46Å; A308-H311 WeakPolarHBondContact O-CB 3.46Å; A308-H311 PolarHBondContact O-N 3.04Å; C309-H311 PolarHBondContact O-N 2.88Å; H311-V350 HydrophobicContact CB-CG1 4.15Å; H311-H351 AromaticContact CE1-CG 3.97Å; H311-H351 AromaticContact CE1-ND1 3.67Å
312	E	94.4	Very high	95.9	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-100.1	-31.3	-172.2	-58.7	-65.6	135.9	0	0	113.9	E273 T274 L277 A308	E273-E312 HydrophobicContact CB-CG 4.22Å; E273-E312 WeakPolarHBondContact CB-OE2 3.27Å; T274-E312 WeakPolarHBondContact OG1-CB 3.24Å; L277-E312 HydrophobicContact CD2-CG 3.68Å; A308-E312 PolarHBondContact O-N 3.21Å
313	E	95.8	Very high	95.8	Very high	35 Å²	35	55.3 Å²	55.3	16%	0.164	25%	0.253	C	S	.	.			trans	-89.9	135.3	-168.9	-62.3	-63.2	167.3	0	0	113.2	L270 N271 T274 C309 Q315	L270-E313 HydrophobicContact CD2-CG 4.09Å; N271-E313 WeakPolarHBondContact CB-OE1 3.33Å; N271-E313 PolarHBondContact N-OE1 3.04Å; N271-E313 PolarHBondContact ND2-OE1 3.27Å; N271-E313 PolarHBondContact ND2-OE2 2.9Å; T274-E313 WeakPolarHBondContact CB-OE1 3.36Å; T274-E313 HydrophobicContact CG2-CG 3.94Å; T274-E313 PolarHBondContact OG1-OE1 3.27Å; C309-E313 HydrophobicContact CB-CB 4.35Å; C309-E313 HydrophobicContact CB-CG 4.04Å; C309-E313 WeakPolarHBondContact O-CB 3.37Å; C309-E313 PolarHBondContact O-N 3.19Å; E313-Q315 PolarHBondContact O-N 3.41Å
314	R	94.7	Very high	95.6	Very high	238 Å²	238	62.7 Å²	62.7	90%	0.898	28%	0.282	S	S	*	.	S	Bend	trans	-62.6	-32	172.4	-176	-178.6	174.2	-170.7	-2.2	112.2
315	Q	91.2	Very high	95.2	Very high	165 Å²	165	63.4 Å²	63.4	77%	0.771	29%	0.286	S	S	*	.	S	Bend	trans	-142.4	109.7	176.6	-63.9	-175.1	-100	0	0	108.4	E313	E313-Q315 PolarHBondContact O-N 3.41Å
316	M	92.2	Very high	94.9	Very high	65 Å²	65	63.6 Å²	63.6	32%	0.32	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-77.7	141.7	174.2	175.3	-171.5	73.4	0	0	110.7	C309 K310	C309-M316 HydrophobicContact CB-CB 3.86Å; C309-M316 HydrophobicContact CB-CG 3.46Å; C309-M316 VanDerWaalsContact CB-CG 3.46Å; C309-M316 HydrophobicContact CB-SD 4.13Å; K310-M316 HydrophobicContact CD-SD 4.27Å; K310-M316 HydrophobicContact CG-CE 4.34Å; K310-M316 HydrophobicContact CG-SD 3.59Å; K310-M316 VanDerWaalsContact CG-SD 3.59Å
317	P	93.9	Very high	94.7	Very high	13 Å²	13	67.1 Å²	67.1	8%	0.084	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-54.8	143.6	168.3	-24.1	33.3	0	0	0	113	F268 L270 E321 F322	F268-P317 HydrophobicContact CB-CG 3.84Å; F268-P317 HydrophobicContact CD1-CB 4.38Å; F268-P317 HydrophobicContact CD1-CG 4.2Å; F268-P317 HydrophobicContact CD2-CB 4.27Å; F268-P317 HydrophobicContact CD2-CG 3.8Å; F268-P317 HydrophobicContact CE1-CB 4.49Å; F268-P317 HydrophobicContact CE2-CB 4.37Å; F268-P317 HydrophobicContact CE2-CG 4.38Å; F268-P317 HydrophobicContact CG-CB 4.28Å; F268-P317 HydrophobicContact CG-CG 3.7Å; F268-P317 HydrophobicContact CZ-CB 4.48Å; L270-P317 HydrophobicContact CD2-CG 4.32Å; P317-E321 HydrophobicContact CB-CB 4.34Å; P317-F322 HydrophobicContact CB-CE2 3.95Å; P317-F322 HydrophobicContact CG-CE2 4.5Å
318	H	94.8	Very high	94.4	Very high	136 Å²	136	72.1 Å²	72.1	63%	0.63	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-68	151.9	178.2	-64.9	-68.9	0	0	0	111.6	N320 E321 F322	H318-N320 PolarHBondContact O-N 3.37Å; H318-E321 WeakPolarHBondContact CB-OE2 3.28Å; H318-E321 IonicContact CD2-OE2 3.76Å; H318-E321 PolarHBondContact CD2-OE2 2.99Å; H318-E321 IonicContact CG-OE2 2.7Å; H318-E321 PolarHBondContact N-OE2 2.89Å; H318-E321 WeakPolarHBondContact O-CB 3.03Å; H318-E321 PolarHBondContact O-N 3.23Å; H318-F322 PolarHBondContact O-N 2.94Å
319	L	95.3	Very high	94.1	Very high	40 Å²	40	74.9 Å²	74.9	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-56.5	-25.5	176.9	-179.1	58.6	0	0	0	113.4	M306 E321 F322 L323 K332 F335	M306-L319 HydrophobicContact CE-CD1 4.2Å; M306-L319 HydrophobicContact SD-CD1 4.14Å; L319-E321 VanDerWaalsContact C-N 3.28Å; L319-E321 PolarHBondContact O-N 3.22Å; L319-F322 HydrophobicContact CD1-CB 4.39Å; L319-F322 PolarHBondContact O-N 2.89Å; L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.02Å; L319-K332 HydrophobicContact CD2-CB 3.99Å; L319-K332 HydrophobicContact CD2-CD 4.36Å; L319-K332 HydrophobicContact CD2-CG 3.96Å; L319-K332 HydrophobicContact CG-CG 4.4Å; L319-F335 HydrophobicContact CD1-CB 3.64Å; L319-F335 HydrophobicContact CD1-CD1 3.89Å; L319-F335 HydrophobicContact CD1-CD2 4.12Å; L319-F335 HydrophobicContact CD1-CG 3.65Å
320	N	95.7	Very high	94.1	Very high	96 Å²	96	75.5 Å²	75.5	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-29.9	172.7	-65.5	-14.7	0	0	0	113	H318 Y324 K332	H318-N320 PolarHBondContact O-N 3.37Å; N320-Y324 PolarHBondContact O-N 3.4Å; N320-K332 VanDerWaalsContact OD1-CE 3.27Å; N320-K332 WeakPolarHBondContact OD1-CE 3.44Å; N320-K332 PolarHBondContact OD1-NZ 2.84Å
321	E	95.2	Very high	94.1	Very high	74 Å²	74	73.2 Å²	73.2	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-78.2	-36.8	179.2	-60.4	171.6	82.4	0	0	110.5	F268 P317 H318 L319 Y324 I325	F268-E321 HydrophobicContact CE1-CB 3.89Å; F268-E321 HydrophobicContact CZ-CB 3.96Å; P317-E321 HydrophobicContact CB-CB 4.34Å; H318-E321 WeakPolarHBondContact CB-OE2 3.28Å; H318-E321 IonicContact CD2-OE2 3.76Å; H318-E321 PolarHBondContact CD2-OE2 2.99Å; H318-E321 IonicContact CG-OE2 2.7Å; H318-E321 PolarHBondContact N-OE2 2.89Å; H318-E321 WeakPolarHBondContact O-CB 3.03Å; H318-E321 PolarHBondContact O-N 3.23Å; L319-E321 VanDerWaalsContact C-N 3.28Å; L319-E321 PolarHBondContact O-N 3.22Å; E321-Y324 PolarHBondContact O-N 2.83Å; E321-I325 PolarHBondContact O-N 3.45Å
322	F	94.7	Very high	94.2	Very high	1 Å²	1	73.3 Å²	73.3	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-37.6	168.7	-74.2	-82.4	0	0	0	112.7	F268 C302 I305 M306 P317 H318 L319 T326 F335	F268-F322 HydrophobicContact CE2-CD1 4.18Å; F268-F322 AromaticContact CE2-CE1 3.97Å; F268-F322 HydrophobicContact CE2-CE1 3.97Å; F268-F322 HydrophobicContact CE2-CZ 4.14Å; C302-F322 HydrophobicContact CB-CD1 4.29Å; I305-F322 HydrophobicContact CB-CE1 4.14Å; I305-F322 HydrophobicContact CG2-CE1 3.8Å; I305-F322 HydrophobicContact CG2-CZ 3.94Å; M306-F322 HydrophobicContact CG-CD1 4.16Å; M306-F322 HydrophobicContact CG-CD2 3.96Å; M306-F322 HydrophobicContact CG-CE1 3.89Å; M306-F322 HydrophobicContact CG-CE2 3.67Å; M306-F322 HydrophobicContact CG-CG 4.19Å; M306-F322 HydrophobicContact CG-CZ 3.63Å; M306-F322 HydrophobicContact SD-CD2 4.44Å; M306-F322 HydrophobicContact SD-CG 4.39Å; P317-F322 HydrophobicContact CB-CE2 3.95Å; P317-F322 HydrophobicContact CG-CE2 4.5Å; H318-F322 PolarHBondContact O-N 2.94Å; L319-F322 HydrophobicContact CD1-CB 4.39Å; L319-F322 PolarHBondContact O-N 2.89Å; F322-T326 WeakPolarHBondContact O-CB 3.36Å; F322-T326 WeakPolarHBondContact O-CG2 3.33Å; F322-T326 PolarHBondContact O-N 2.83Å; F322-T326 PolarHBondContact O-OG1 3.34Å; F322-F335 HydrophobicContact CB-CE1 3.74Å; F322-F335 HydrophobicContact CB-CZ 3.95Å; F322-F335 HydrophobicContact CG-CE1 4.47Å
323	L	94.5	Very high	94.3	Very high	18 Å²	18	76.2 Å²	76.2	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-42.4	170	-73	167.9	0	0	0	112	L319 T326 D327 N328 Y330 K332 F335	L319-L323 WeakPolarHBondContact O-CG 3.3Å; L319-L323 PolarHBondContact O-N 3.02Å; L323-T326 PolarHBondContact O-N 3.15Å; L323-T326 PolarHBondContact O-OG1 3.27Å; L323-D327 PolarHBondContact O-N 3.16Å; L323-N328 WeakPolarHBondContact O-CA 3.35Å; L323-N328 PolarHBondContact O-N 3.37Å; L323-Y330 WeakPolarHBondContact CD2-O 3.29Å; L323-K332 HydrophobicContact CD1-CD 4.26Å; L323-K332 VanDerWaalsContact CD1-CE 3.43Å; L323-K332 HydrophobicContact CD1-CG 3.7Å; L323-F335 HydrophobicContact CD2-CD2 4.05Å; L323-F335 HydrophobicContact CD2-CE2 3.75Å; L323-F335 HydrophobicContact CG-CE2 4.28Å
324	Y	94.1	Very high	94.5	Very high	155 Å²	155	77 Å²	77	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-66	-48.9	-179.8	177.7	-104.7	0	0	0	112.6	N320 E321 T326 D327	N320-Y324 PolarHBondContact O-N 3.4Å; E321-Y324 PolarHBondContact O-N 2.83Å; Y324-T326 PolarHBondContact O-N 3.1Å; Y324-D327 PolarHBondContact O-N 3.29Å
325	I	91.4	Very high	94.6	Very high	16 Å²	16	65.6 Å²	65.6	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-13.3	180	-155.7	162.7	0	0	0	113.3	V264 N267 F268 E321	V264-I325 HydrophobicContact CB-CD1 4.37Å; V264-I325 HydrophobicContact CG1-CD1 4.34Å; V264-I325 HydrophobicContact CG2-CD1 3.96Å; N267-I325 HydrophobicContact CB-CD1 3.89Å; F268-I325 HydrophobicContact CE1-CD1 4.29Å; F268-I325 HydrophobicContact CE2-CD1 4.32Å; F268-I325 HydrophobicContact CE2-CG2 4.22Å; F268-I325 HydrophobicContact CZ-CB 4.16Å; F268-I325 HydrophobicContact CZ-CD1 3.99Å; F268-I325 HydrophobicContact CZ-CG2 3.86Å; E321-I325 PolarHBondContact O-N 3.45Å
326	T	91.1	Very high	94.9	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.037	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13	170.3	57.5	0	0	0	0	113.6	W260 F322 L323 Y324 N328 A329 Y330 F335	W260-T326 HydrophobicContact CZ2-CG2 4.38Å; F322-T326 WeakPolarHBondContact O-CB 3.36Å; F322-T326 WeakPolarHBondContact O-CG2 3.33Å; F322-T326 PolarHBondContact O-N 2.83Å; F322-T326 PolarHBondContact O-OG1 3.34Å; L323-T326 PolarHBondContact O-N 3.15Å; L323-T326 PolarHBondContact O-OG1 3.27Å; Y324-T326 PolarHBondContact O-N 3.1Å; T326-N328 PolarHBondContact O-N 2.89Å; T326-N328 VanDerWaalsContact O-N 3.15Å; T326-A329 WeakPolarHBondContact O-CB 2.97Å; T326-A329 PolarHBondContact O-N 3.2Å; T326-Y330 HydrophobicContact CG2-CD2 4.2Å; T326-Y330 HydrophobicContact CG2-CE2 3.97Å; T326-F335 HydrophobicContact CG2-CZ 4.16Å
327	D	93	Very high	95.2	Very high	83 Å²	83	62.5 Å²	62.5	44%	0.444	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.4	179	-169.2	32.2	0	0	0	112.8	R47 L323 Y324 A329	R47-D327 WeakPolarHBondContact CD-OD2 3.07Å; R47-D327 IonicContact CZ-OD2 3.72Å; R47-D327 IonicContact NE-OD2 2.74Å; R47-D327 IonicContact NH1-OD1 3.59Å; R47-D327 IonicContact NH1-OD2 3.86Å; R47-D327 PolarHBondContact NH1-OD2 3.06Å; L323-D327 PolarHBondContact O-N 3.16Å; Y324-D327 PolarHBondContact O-N 3.29Å; D327-A329 PolarHBondContact O-N 2.92Å
328	N	91.8	Very high	95.4	Very high	110 Å²	110	61.9 Å²	61.9	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	33	-173.7	-53.5	-90.3	0	0	0	114	L323 T326 Y330	L323-N328 WeakPolarHBondContact O-CA 3.35Å; L323-N328 PolarHBondContact O-N 3.37Å; T326-N328 PolarHBondContact O-N 2.89Å; T326-N328 VanDerWaalsContact O-N 3.15Å; N328-Y330 PolarHBondContact O-N 3.13Å
329	A	93.4	Very high	95.6	Very high	59 Å²	59	56.8 Å²	56.8	49%	0.488	29%	0.287	S	S	.	.			trans	-67	-13.6	178.3	0	0	0	0	0	114.6	T326 D327	T326-A329 WeakPolarHBondContact O-CB 2.97Å; T326-A329 PolarHBondContact O-N 3.2Å; D327-A329 PolarHBondContact O-N 2.92Å
330	Y	96.2	Very high	95.7	Very high	12 Å²	12	61 Å²	61	5%	0.047	30%	0.299	C	S	.	.	S	Bend	trans	-137	157.6	-177.3	-41.7	-71.8	0	0	0	111.1	V40 R295 Q298 L299 L323 T326 N328 F335	V40-Y330 WeakPolarHBondContact CG1-OH 3.27Å; R295-Y330 VanDerWaalsContact O-CE1 3.31Å; R295-Y330 WeakPolarHBondContact O-CE1 3.31Å; R295-Y330 PolarHBondContact O-OH 3.29Å; Q298-Y330 PolarHBondContact OE1-OH 3.45Å; L299-Y330 HydrophobicContact CB-CD1 4.03Å; L299-Y330 HydrophobicContact CB-CD2 4.29Å; L299-Y330 HydrophobicContact CB-CE1 3.94Å; L299-Y330 HydrophobicContact CB-CE2 4.21Å; L299-Y330 HydrophobicContact CB-CG 4.22Å; L299-Y330 HydrophobicContact CD1-CD1 4.32Å; L299-Y330 HydrophobicContact CD1-CD2 4.03Å; L299-Y330 HydrophobicContact CD1-CG 3.83Å; L299-Y330 HydrophobicContact CD2-CD1 4.04Å; L299-Y330 HydrophobicContact CD2-CG 4.34Å; L299-Y330 HydrophobicContact CG-CD1 4.35Å; L299-Y330 HydrophobicContact CG-CG 4.35Å; L323-Y330 WeakPolarHBondContact CD2-O 3.29Å; T326-Y330 HydrophobicContact CG2-CD2 4.2Å; T326-Y330 HydrophobicContact CG2-CE2 3.97Å; N328-Y330 PolarHBondContact O-N 3.13Å; Y330-F335 HydrophobicContact CD2-CE2 4.05Å; Y330-F335 HydrophobicContact CD2-CZ 4.16Å; Y330-F335 HydrophobicContact CG-CE2 4.39Å
331	T	97.1	Very high	95.9	Very high	67 Å²	67	58.8 Å²	58.8	41%	0.411	28%	0.284	S	S	.	.			trans	-87.2	161.6	173.7	56	0	0	0	0	112.5	E333 E334 F335	T331-E333 PolarHBondContact O-N 2.88Å; T331-E334 PolarHBondContact N-OE2 2.78Å; T331-E334 PolarHBondContact O-N 3.28Å; T331-E334 WeakPolarHBondContact OG1-CB 3.4Å; T331-E334 VanDerWaalsContact OG1-CG 3.28Å; T331-E334 WeakPolarHBondContact OG1-CG 3.41Å; T331-E334 PolarHBondContact OG1-N 2.8Å; T331-E334 PolarHBondContact OG1-OE2 2.68Å; T331-F335 WeakPolarHBondContact O-CD2 3.11Å; T331-F335 PolarHBondContact O-N 3.46Å; T331-F335 VanDerWaalsContact O-N 3.11Å
332	K	97.2	Very high	96	Very high	83 Å²	83	55.2 Å²	55.2	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-35.1	176.9	-70.5	-174.9	173.3	-175.8	0	111.6	L319 N320 L323 F335 I336	L319-K332 HydrophobicContact CD2-CB 3.99Å; L319-K332 HydrophobicContact CD2-CD 4.36Å; L319-K332 HydrophobicContact CD2-CG 3.96Å; L319-K332 HydrophobicContact CG-CG 4.4Å; N320-K332 VanDerWaalsContact OD1-CE 3.27Å; N320-K332 WeakPolarHBondContact OD1-CE 3.44Å; N320-K332 PolarHBondContact OD1-NZ 2.84Å; L323-K332 HydrophobicContact CD1-CD 4.26Å; L323-K332 VanDerWaalsContact CD1-CE 3.43Å; L323-K332 HydrophobicContact CD1-CG 3.7Å; K332-F335 WeakPolarHBondContact O-CB 3.4Å; K332-F335 PolarHBondContact O-N 3.13Å; K332-I336 VanDerWaalsContact O-CG1 3.3Å; K332-I336 WeakPolarHBondContact O-CG1 3.43Å; K332-I336 PolarHBondContact O-N 2.92Å
333	E	97.8	Very high	96.2	Very high	129 Å²	129	56.7 Å²	56.7	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-67	-42.5	179.2	-63.1	63.8	-141.8	0	0	110.4	T331 I336 E337	T331-E333 PolarHBondContact O-N 2.88Å; E333-I336 PolarHBondContact O-N 2.94Å; E333-E337 VanDerWaalsContact O-CB 3.31Å; E333-E337 WeakPolarHBondContact O-CB 3.29Å; E333-E337 PolarHBondContact O-N 2.64Å
334	E	98.2	Very high	96.3	Very high	50 Å²	50	60.4 Å²	60.4	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-38	171.8	-81.2	169.4	125.1	0	0	112.7	R295 L299 T331 A338	R295-E334 IonicContact CZ-OE1 2.77Å; R295-E334 IonicContact NH1-OE1 2.86Å; R295-E334 PolarHBondContact NH1-OE1 3.26Å; R295-E334 IonicContact NH2-OE1 3.27Å; L299-E334 HydrophobicContact CD2-CB 3.94Å; T331-E334 PolarHBondContact N-OE2 2.78Å; T331-E334 PolarHBondContact O-N 3.28Å; T331-E334 WeakPolarHBondContact OG1-CB 3.4Å; T331-E334 VanDerWaalsContact OG1-CG 3.28Å; T331-E334 WeakPolarHBondContact OG1-CG 3.41Å; T331-E334 PolarHBondContact OG1-N 2.8Å; T331-E334 PolarHBondContact OG1-OE2 2.68Å; E334-A338 VanDerWaalsContact O-CB 3.27Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.9Å
335	F	98	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-46.7	173.6	-87.9	-86.2	0	0	0	112.7	L299 C302 M306 L319 F322 L323 T326 Y330 T331 K332 E337 A338 E339	L299-F335 HydrophobicContact CD1-CB 4.43Å; L299-F335 HydrophobicContact CD1-CD1 3.82Å; L299-F335 HydrophobicContact CD1-CD2 4.01Å; L299-F335 HydrophobicContact CD1-CE1 4.09Å; L299-F335 HydrophobicContact CD1-CE2 4.24Å; L299-F335 HydrophobicContact CD1-CG 3.79Å; L299-F335 HydrophobicContact CD1-CZ 4.28Å; C302-F335 HydrophobicContact CB-CD1 4.21Å; C302-F335 HydrophobicContact CB-CE1 3.49Å; C302-F335 VanDerWaalsContact CB-CE1 3.49Å; C302-F335 HydrophobicContact CB-CZ 4.38Å; M306-F335 HydrophobicContact SD-CD1 3.66Å; M306-F335 HydrophobicContact SD-CE1 4.3Å; L319-F335 HydrophobicContact CD1-CB 3.64Å; L319-F335 HydrophobicContact CD1-CD1 3.89Å; L319-F335 HydrophobicContact CD1-CD2 4.12Å; L319-F335 HydrophobicContact CD1-CG 3.65Å; F322-F335 HydrophobicContact CB-CE1 3.74Å; F322-F335 HydrophobicContact CB-CZ 3.95Å; F322-F335 HydrophobicContact CG-CE1 4.47Å; L323-F335 HydrophobicContact CD2-CD2 4.05Å; L323-F335 HydrophobicContact CD2-CE2 3.75Å; L323-F335 HydrophobicContact CG-CE2 4.28Å; T326-F335 HydrophobicContact CG2-CZ 4.16Å; Y330-F335 HydrophobicContact CD2-CE2 4.05Å; Y330-F335 HydrophobicContact CD2-CZ 4.16Å; Y330-F335 HydrophobicContact CG-CE2 4.39Å; T331-F335 WeakPolarHBondContact O-CD2 3.11Å; T331-F335 PolarHBondContact O-N 3.46Å; T331-F335 VanDerWaalsContact O-N 3.11Å; K332-F335 WeakPolarHBondContact O-CB 3.4Å; K332-F335 PolarHBondContact O-N 3.13Å; F335-E337 VanDerWaalsContact C-N 3.34Å; F335-A338 PolarHBondContact O-N 2.79Å; F335-E339 PolarHBondContact O-N 3.25Å
336	I	97.7	Very high	96.6	Very high	96 Å²	96	53.5 Å²	53.5	49%	0.492	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178.7	-67.8	163.4	0	0	0	110.6	K332 E333 E339 R340	K332-I336 VanDerWaalsContact O-CG1 3.3Å; K332-I336 WeakPolarHBondContact O-CG1 3.43Å; K332-I336 PolarHBondContact O-N 2.92Å; E333-I336 PolarHBondContact O-N 2.94Å; I336-E339 PolarHBondContact O-N 3.33Å; I336-R340 WeakPolarHBondContact O-CB 3.43Å; I336-R340 PolarHBondContact O-N 3.29Å
337	E	98.2	Very high	96.8	Very high	69 Å²	69	59.9 Å²	59.9	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-36	175.1	175.3	56.1	-162.3	0	0	112.4	E333 F335 R340 R341	E333-E337 VanDerWaalsContact O-CB 3.31Å; E333-E337 WeakPolarHBondContact O-CB 3.29Å; E333-E337 PolarHBondContact O-N 2.64Å; F335-E337 VanDerWaalsContact C-N 3.34Å; E337-R340 VanDerWaalsContact CD-NH2 3.26Å; E337-R340 PolarHBondContact O-N 3.01Å; E337-R340 IonicContact OE1-CZ 2.66Å; E337-R340 IonicContact OE1-NE 3.66Å; E337-R340 IonicContact OE1-NH2 3.83Å; E337-R340 PolarHBondContact OE1-NH2 2.97Å; E337-R340 IonicContact OE2-CZ 2.68Å; E337-R340 VanDerWaalsContact OE2-CZ 3.28Å; E337-R340 IonicContact OE2-NE 3.28Å; E337-R340 PolarHBondContact OE2-NE 3.47Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 3.46Å; E337-R341 WeakPolarHBondContact O-CB 3.29Å; E337-R341 VanDerWaalsContact O-CG 3.29Å; E337-R341 WeakPolarHBondContact O-CG 3.4Å; E337-R341 PolarHBondContact O-N 3.42Å; E337-R341 WeakPolarHBondContact OE1-CG 3.19Å
338	A	98.4	Very high	97	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-42.7	173.2	0	0	0	0	0	112	L299 M300 A303 E334 F335 R341 L342	L299-A338 HydrophobicContact CD1-CB 4.22Å; L299-A338 HydrophobicContact CD2-CB 4.18Å; L299-A338 HydrophobicContact CG-CB 3.78Å; M300-A338 HydrophobicContact CE-CB 4.22Å; A303-A338 HydrophobicContact CB-CB 3.86Å; E334-A338 VanDerWaalsContact O-CB 3.27Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.9Å; F335-A338 PolarHBondContact O-N 2.79Å; A338-R341 PolarHBondContact O-N 2.92Å; A338-L342 WeakPolarHBondContact O-CB 3.41Å; A338-L342 PolarHBondContact O-N 3.44Å
339	E	98.2	Very high	97	Very high	29 Å²	29	58.4 Å²	58.4	14%	0.136	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-44.5	172.7	174.7	166.8	-102.4	0	0	112	A303 V307 K310 F335 I336 R341 L342 L343	A303-E339 HydrophobicContact CB-CB 4.49Å; V307-E339 HydrophobicContact CG2-CG 3.85Å; K310-E339 WeakPolarHBondContact CE-OE1 3.35Å; K310-E339 IonicContact NZ-OE1 2.8Å; K310-E339 PolarHBondContact NZ-OE1 3.15Å; K310-E339 IonicContact NZ-OE2 2.7Å; K310-E339 PolarHBondContact NZ-OE2 2.94Å; F335-E339 PolarHBondContact O-N 3.25Å; I336-E339 PolarHBondContact O-N 3.33Å; E339-R341 PolarHBondContact O-N 2.91Å; E339-L342 WeakPolarHBondContact O-CB 3.12Å; E339-L342 PolarHBondContact O-N 2.86Å; E339-L343 HydrophobicContact CG-CD1 3.98Å; E339-L343 WeakPolarHBondContact O-CG 3.17Å; E339-L343 PolarHBondContact O-N 3.35Å
340	R	98.4	Very high	97.1	Very high	127 Å²	127	56.7 Å²	56.7	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.5	-167.6	-171.3	69.3	83.7	4.5	111.9	I336 E337 I344	I336-R340 WeakPolarHBondContact O-CB 3.43Å; I336-R340 PolarHBondContact O-N 3.29Å; E337-R340 VanDerWaalsContact CD-NH2 3.26Å; E337-R340 PolarHBondContact O-N 3.01Å; E337-R340 IonicContact OE1-CZ 2.66Å; E337-R340 IonicContact OE1-NE 3.66Å; E337-R340 IonicContact OE1-NH2 3.83Å; E337-R340 PolarHBondContact OE1-NH2 2.97Å; E337-R340 IonicContact OE2-CZ 2.68Å; E337-R340 VanDerWaalsContact OE2-CZ 3.28Å; E337-R340 IonicContact OE2-NE 3.28Å; E337-R340 PolarHBondContact OE2-NE 3.47Å; E337-R340 IonicContact OE2-NH2 2.73Å; E337-R340 PolarHBondContact OE2-NH2 3.46Å; R340-I344 HydrophobicContact CG-CD1 4.03Å; R340-I344 VanDerWaalsContact NH1-CD1 3.33Å; R340-I344 WeakPolarHBondContact O-CD1 3.43Å; R340-I344 VanDerWaalsContact O-CG1 3.3Å; R340-I344 WeakPolarHBondContact O-CG1 3.36Å; R340-I344 PolarHBondContact O-N 2.93Å
341	R	98.3	Very high	96.9	Very high	50 Å²	50	59.6 Å²	59.6	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-41.1	175.8	-74.2	-175	-62.6	160.7	-8.9	112.1	F285 E296 M300 E337 A338 E339 A345	F285-R341 HydrophobicContact CE2-CB 4.35Å; E296-R341 IonicContact OE1-CZ 3.21Å; E296-R341 IonicContact OE1-NH1 3Å; E296-R341 PolarHBondContact OE1-NH1 3.06Å; E296-R341 IonicContact OE1-NH2 2.72Å; E296-R341 PolarHBondContact OE1-NH2 3.29Å; M300-R341 HydrophobicContact CE-CB 4.2Å; E337-R341 WeakPolarHBondContact O-CB 3.29Å; E337-R341 VanDerWaalsContact O-CG 3.29Å; E337-R341 WeakPolarHBondContact O-CG 3.4Å; E337-R341 PolarHBondContact O-N 3.42Å; E337-R341 WeakPolarHBondContact OE1-CG 3.19Å; A338-R341 PolarHBondContact O-N 2.92Å; E339-R341 PolarHBondContact O-N 2.91Å; R341-A345 WeakPolarHBondContact O-CB 3.48Å; R341-A345 PolarHBondContact O-N 3.32Å
342	L	98.5	Very high	96.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-55.5	176.3	175.4	58.9	0	0	0	111.2	F285 M300 A303 A304 V307 A338 E339 I344 A345 I346	F285-L342 HydrophobicContact CB-CD1 3.75Å; F285-L342 HydrophobicContact CD2-CD1 4.07Å; F285-L342 HydrophobicContact CG-CD1 4.26Å; M300-L342 HydrophobicContact SD-CB 3.88Å; M300-L342 HydrophobicContact SD-CD1 4.35Å; A303-L342 HydrophobicContact CB-CD2 4.34Å; A304-L342 VanDerWaalsContact CA-CD2 3.44Å; A304-L342 HydrophobicContact CB-CD2 3.97Å; V307-L342 HydrophobicContact CB-CD2 4.14Å; V307-L342 HydrophobicContact CG2-CD2 3.89Å; A338-L342 WeakPolarHBondContact O-CB 3.41Å; A338-L342 PolarHBondContact O-N 3.44Å; E339-L342 WeakPolarHBondContact O-CB 3.12Å; E339-L342 PolarHBondContact O-N 2.86Å; L342-I344 VanDerWaalsContact C-N 3.31Å; L342-I344 PolarHBondContact O-N 2.87Å; L342-A345 PolarHBondContact O-N 2.81Å; L342-I346 HydrophobicContact CD1-CG2 4.14Å; L342-I346 WeakPolarHBondContact O-CG1 3.21Å; L342-I346 PolarHBondContact O-N 3.28Å
343	L	98.2	Very high	96.6	Very high	32 Å²	32	53.8 Å²	53.8	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-38.5	-176.3	-69.8	169.5	0	0	0	112.6	V307 E339 D347 F348 V350	V307-L343 HydrophobicContact CG1-CD2 3.97Å; V307-L343 HydrophobicContact CG2-CD2 4.12Å; V307-L343 HydrophobicContact CG2-CG 4.25Å; E339-L343 HydrophobicContact CG-CD1 3.98Å; E339-L343 WeakPolarHBondContact O-CG 3.17Å; E339-L343 PolarHBondContact O-N 3.35Å; L343-D347 PolarHBondContact O-N 2.87Å; L343-F348 HydrophobicContact CB-CD1 4.11Å; L343-F348 HydrophobicContact CB-CE1 3.8Å; L343-F348 HydrophobicContact CB-CE2 4.41Å; L343-F348 HydrophobicContact CB-CZ 3.96Å; L343-F348 HydrophobicContact CD1-CE1 4.07Å; L343-F348 HydrophobicContact CD2-CD1 4.19Å; L343-F348 HydrophobicContact CD2-CE1 4.44Å; L343-F348 HydrophobicContact CG-CE1 4.33Å; L343-F348 PolarHBondContact O-N 2.92Å; L343-V350 HydrophobicContact CD2-CG2 3.69Å
344	I	97.8	Very high	96.4	Very high	95 Å²	95	48 Å²	48	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-44.9	176	-68.2	168.7	0	0	0	111.5	R340 L342 I346 D347	R340-I344 HydrophobicContact CG-CD1 4.03Å; R340-I344 VanDerWaalsContact NH1-CD1 3.33Å; R340-I344 WeakPolarHBondContact O-CD1 3.43Å; R340-I344 VanDerWaalsContact O-CG1 3.3Å; R340-I344 WeakPolarHBondContact O-CG1 3.36Å; R340-I344 PolarHBondContact O-N 2.93Å; L342-I344 VanDerWaalsContact C-N 3.31Å; L342-I344 PolarHBondContact O-N 2.87Å; I344-I346 PolarHBondContact O-N 3.34Å; I344-D347 PolarHBondContact O-N 3.49Å; I344-D347 VanDerWaalsContact O-N 3.16Å
345	A	96.8	Very high	96.3	Very high	20 Å²	20	46 Å²	46	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-19.3	-177.3	0	0	0	0	0	114.2	F285 R288 R341 L342	F285-A345 HydrophobicContact CD2-CB 3.56Å; F285-A345 HydrophobicContact CE2-CB 3.71Å; R288-A345 VanDerWaalsContact CB-O 3.24Å; R288-A345 WeakPolarHBondContact CB-O 3.32Å; R341-A345 WeakPolarHBondContact O-CB 3.48Å; R341-A345 PolarHBondContact O-N 3.32Å; L342-A345 PolarHBondContact O-N 2.81Å
346	I	95.3	Very high	96.2	Very high	6 Å²	6	47 Å²	47	3%	0.031	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7.8	174.6	71.7	-179.4	0	0	0	113.3	L281 A284 L342 I344 F348 A349 V350	L281-I346 HydrophobicContact CD2-CD1 3.49Å; L281-I346 VanDerWaalsContact CD2-CD1 3.49Å; A284-I346 HydrophobicContact CB-CG2 3.88Å; L342-I346 HydrophobicContact CD1-CG2 4.14Å; L342-I346 WeakPolarHBondContact O-CG1 3.21Å; L342-I346 PolarHBondContact O-N 3.28Å; I344-I346 PolarHBondContact O-N 3.34Å; I346-F348 PolarHBondContact O-N 2.78Å; I346-A349 VanDerWaalsContact O-CB 3.22Å; I346-A349 WeakPolarHBondContact O-CB 3.12Å; I346-A349 PolarHBondContact O-N 3.25Å; I346-V350 HydrophobicContact CD1-CG2 4.19Å
347	D	95.1	Very high	95.9	Very high	141 Å²	141	43.6 Å²	43.6	75%	0.754	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.9	45.8	-173.1	-163.1	32.2	0	0	0	113.5	L343 I344 A349	L343-D347 PolarHBondContact O-N 2.87Å; I344-D347 PolarHBondContact O-N 3.49Å; I344-D347 VanDerWaalsContact O-N 3.16Å; D347-A349 PolarHBondContact O-N 3.19Å
348	F	95.6	Very high	95.6	Very high	135 Å²	135	40.3 Å²	40.3	59%	0.592	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	16	-176.2	-66.9	-100.1	0	0	0	115.6	L343 I346 V350	L343-F348 HydrophobicContact CB-CD1 4.11Å; L343-F348 HydrophobicContact CB-CE1 3.8Å; L343-F348 HydrophobicContact CB-CE2 4.41Å; L343-F348 HydrophobicContact CB-CZ 3.96Å; L343-F348 HydrophobicContact CD1-CE1 4.07Å; L343-F348 HydrophobicContact CD2-CD1 4.19Å; L343-F348 HydrophobicContact CD2-CE1 4.44Å; L343-F348 HydrophobicContact CG-CE1 4.33Å; L343-F348 PolarHBondContact O-N 2.92Å; I346-F348 PolarHBondContact O-N 2.78Å; F348-V350 PolarHBondContact O-N 2.79Å
349	A	93.7	Very high	95.3	Very high	27 Å²	27	40.5 Å²	40.5	22%	0.223	20%	0.199	C	C	.	.			trans	-74.6	62.3	174.9	0	0	0	0	0	111.9	F235 I346 D347	F235-A349 HydrophobicContact CE1-CB 4.41Å; I346-A349 VanDerWaalsContact O-CB 3.22Å; I346-A349 WeakPolarHBondContact O-CB 3.12Å; I346-A349 PolarHBondContact O-N 3.25Å; D347-A349 PolarHBondContact O-N 3.19Å
350	V	95.3	Very high	94.7	Very high	23 Å²	23	43.2 Å²	43.2	14%	0.139	21%	0.208	C	C	.	.			trans	-69.5	-51.7	-172.4	175.2	0	0	0	0	112	L277 V307 H311 L343 I346 F348 R352	L277-V350 WeakPolarHBondContact CD1-O 3.41Å; V307-V350 HydrophobicContact CG1-CB 4.48Å; V307-V350 HydrophobicContact CG1-CG1 3.74Å; V307-V350 HydrophobicContact CG1-CG2 3.89Å; H311-V350 HydrophobicContact CB-CG1 4.15Å; L343-V350 HydrophobicContact CD2-CG2 3.69Å; I346-V350 HydrophobicContact CD1-CG2 4.19Å; F348-V350 PolarHBondContact O-N 2.79Å; V350-R352 PolarHBondContact O-N 2.66Å
351	H	91.8	Very high	94	Very high	73 Å²	73	39.8 Å²	39.8	34%	0.338	20%	0.195	S	C	.	.			trans	-64.6	106.2	173.7	-176.2	129.7	0	0	0	108.6	E226 R229 F235 H311	E226-H351 IonicContact OE1-NE2 3.06Å; E226-H351 IonicContact OE2-CD2 3.52Å; E226-H351 IonicContact OE2-CE1 2.69Å; E226-H351 IonicContact OE2-NE2 3.18Å; E226-H351 PolarHBondContact OE2-NE2 3.47Å; R229-H351 VanDerWaalsContact CZ-CD2 3.5Å; R229-H351 PolarHBondContact NH1-CD2 3.08Å; R229-H351 PolarHBondContact NH1-NE2 3.12Å; R229-H351 VanDerWaalsContact NH1-NE2 3.17Å; R229-H351 PolarHBondContact NH2-CD2 3.21Å; R229-H351 PolarHBondContact NH2-O 3.2Å; F235-H351 WeakPolarHBondContact CE1-O 3.38Å; H311-H351 AromaticContact CE1-CG 3.97Å; H311-H351 AromaticContact CE1-ND1 3.67Å
352	R	93.6	Very high	93.3	Very high	14 Å²	14	37.4 Å²	37.4	5%	0.053	19%	0.186	C	C	.	.			trans	-104.8	150.9	171.2	-64.8	-167.8	154.9	-98.6	-17.6	110.5	D234 F235 L277 V350 N354	D234-R352 PolarHBondContact O-NH1 3.3Å; D234-R352 PolarHBondContact O-NH2 3.37Å; F235-R352 HydrophobicContact CD1-CB 4.36Å; F235-R352 HydrophobicContact CD1-CG 4.07Å; F235-R352 HydrophobicContact CE1-CG 4.16Å; F235-R352 PolarHBondContact O-NH1 2.82Å; L277-R352 HydrophobicContact CD1-CB 4.09Å; V350-R352 PolarHBondContact O-N 2.66Å; R352-N354 PolarHBondContact O-N 3.47Å
353	P	92.9	Very high	92.3	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.084	19%	0.188	C	C	.	.			trans	-49.5	141.5	164.8	-23.4	32.9	0	0	0	109.8	R229 E230 F235 F358 E395	R229-P353 HydrophobicContact CB-CG 4.42Å; E230-P353 HydrophobicContact CB-CB 3.84Å; E230-P353 HydrophobicContact CB-CG 3.61Å; F235-P353 HydrophobicContact CB-CG 4.34Å; F235-P353 VanDerWaalsContact CD1-CD 3.45Å; F235-P353 HydrophobicContact CD1-CG 4.38Å; F235-P353 HydrophobicContact CG-CG 4.3Å; P353-F358 HydrophobicContact CB-CE2 4.02Å; P353-E395 HydrophobicContact CB-CB 4.45Å; P353-E395 HydrophobicContact CB-CG 4.3Å
354	N	94.7	Very high	91	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.043	20%	0.199	C	C	.	.			trans	-133.8	126	-168.2	-177.1	-50.3	0	0	0	110.4	E273 L277 R352 Y356 V357 F358	E273-N354 PolarHBondContact O-ND2 3.47Å; L277-N354 PolarHBondContact N-ND2 3.08Å; R352-N354 PolarHBondContact O-N 3.47Å; N354-Y356 VanDerWaalsContact C-N 3.33Å; N354-Y356 PolarHBondContact O-N 3.41Å; N354-Y356 PolarHBondContact OD1-N 3.35Å; N354-V357 HydrophobicContact CB-CB 4.03Å; N354-V357 HydrophobicContact CB-CG2 3.76Å; N354-V357 PolarHBondContact O-N 3.16Å; N354-V357 PolarHBondContact OD1-N 3.32Å; N354-F358 WeakPolarHBondContact O-CD2 3.48Å; N354-F358 PolarHBondContact O-N 3.13Å
355	P	96.3	Very high	89.5	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-31.2	-172.3	28.4	-35	0	0	0	112.1	H276 L359 L381 E395 K398 A399	H276-P355 HydrophobicContact CB-CG 4.12Å; P355-L359 VanDerWaalsContact O-CB 3.26Å; P355-L359 WeakPolarHBondContact O-CB 3.37Å; P355-L359 PolarHBondContact O-N 3.47Å; P355-L381 HydrophobicContact CB-CD1 4.23Å; P355-L381 HydrophobicContact CB-CD2 4.02Å; P355-E395 HydrophobicContact CB-CB 4.15Å; P355-E395 VanDerWaalsContact CD-OE2 3.28Å; P355-E395 WeakPolarHBondContact CD-OE2 3.48Å; P355-E395 VanDerWaalsContact CG-OE2 3.3Å; P355-E395 WeakPolarHBondContact CG-OE2 3.23Å; P355-K398 HydrophobicContact CB-CB 4.22Å; P355-K398 HydrophobicContact CB-CD 4.43Å; P355-A399 WeakPolarHBondContact O-CB 3.46Å
356	Y	95.7	Very high	88	Confident	21 Å²	21	40 Å²	40	8%	0.082	19%	0.192	C	C	.	.	H	α-helix	trans	-71.9	-34.7	174.7	179.8	-121.8	0	0	0	112	H272 E273 N354 L359 R360 R378 L381	H272-Y356 HydrophobicContact CB-CD1 3.56Å; H272-Y356 HydrophobicContact CB-CD2 4.43Å; H272-Y356 HydrophobicContact CB-CE1 3.74Å; H272-Y356 HydrophobicContact CB-CG 3.92Å; E273-Y356 HydrophobicContact CG-CD1 4.02Å; E273-Y356 HydrophobicContact CG-CE1 4.47Å; E273-Y356 WeakPolarHBondContact OE2-CD1 3.29Å; E273-Y356 WeakPolarHBondContact OE2-CE1 3.31Å; N354-Y356 VanDerWaalsContact C-N 3.33Å; N354-Y356 PolarHBondContact O-N 3.41Å; N354-Y356 PolarHBondContact OD1-N 3.35Å; Y356-L359 HydrophobicContact CD2-CD2 4.21Å; Y356-L359 PolarHBondContact O-N 3.48Å; Y356-R360 HydrophobicContact CD2-CG 4.28Å; Y356-R360 HydrophobicContact CE1-CG 4.15Å; Y356-R360 HydrophobicContact CE2-CG 3.76Å; Y356-R360 WeakPolarHBondContact O-CG 3.48Å; Y356-R360 PolarHBondContact O-N 2.89Å; Y356-R360 PolarHBondContact O-NH1 3.06Å; Y356-R378 HydrophobicContact CD2-CG 3.95Å; Y356-R378 HydrophobicContact CE2-CG 3.41Å; Y356-R378 VanDerWaalsContact CE2-CG 3.41Å; Y356-R378 PolarHBondContact OH-NH1 2.9Å; Y356-L381 HydrophobicContact CD2-CD1 4.4Å
357	V	91.8	Very high	86.6	Confident	24 Å²	24	39.8 Å²	39.8	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-40.9	175.1	-178.5	0	0	0	0	111.1	E273 N354 R361	E273-V357 HydrophobicContact CG-CG2 3.85Å; N354-V357 HydrophobicContact CB-CB 4.03Å; N354-V357 HydrophobicContact CB-CG2 3.76Å; N354-V357 PolarHBondContact O-N 3.16Å; N354-V357 PolarHBondContact OD1-N 3.32Å; V357-R361 VanDerWaalsContact CG1-CZ 3.44Å; V357-R361 WeakPolarHBondContact O-CG 3.4Å; V357-R361 PolarHBondContact O-N 2.94Å
358	F	91.4	Very high	85	Confident	1 Å²	1	35 Å²	35	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-47.5	169.3	-79.3	-60.6	0	0	0	112	E226 Q227 P353 N354 R360 R361 Y362 E395 A399	E226-F358 HydrophobicContact CB-CE1 3.92Å; E226-F358 HydrophobicContact CB-CZ 3.72Å; Q227-F358 HydrophobicContact CG-CE1 3.86Å; Q227-F358 HydrophobicContact CG-CZ 4.16Å; P353-F358 HydrophobicContact CB-CE2 4.02Å; N354-F358 WeakPolarHBondContact O-CD2 3.48Å; N354-F358 PolarHBondContact O-N 3.13Å; F358-R360 VanDerWaalsContact C-N 3.34Å; F358-R360 PolarHBondContact O-N 3.22Å; F358-R361 PolarHBondContact O-N 3.4Å; F358-Y362 HydrophobicContact CB-CE2 4.05Å; F358-Y362 HydrophobicContact CD1-CE1 4.25Å; F358-Y362 AromaticContact CD1-CZ 3.89Å; F358-Y362 VanDerWaalsContact O-CG 3.31Å; F358-Y362 PolarHBondContact O-N 3.12Å; F358-E395 HydrophobicContact CD2-CB 3.91Å; F358-E395 HydrophobicContact CE2-CB 4Å; F358-A399 HydrophobicContact CB-CB 3.52Å
359	L	91.6	Very high	83.4	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-44.7	-179.9	172.6	60.6	0	0	0	111.7	P355 Y356 R361 Y362 A363 S377 L381 A399 V402 L403	P355-L359 VanDerWaalsContact O-CB 3.26Å; P355-L359 WeakPolarHBondContact O-CB 3.37Å; P355-L359 PolarHBondContact O-N 3.47Å; Y356-L359 HydrophobicContact CD2-CD2 4.21Å; Y356-L359 PolarHBondContact O-N 3.48Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-R361 PolarHBondContact O-N 3.28Å; L359-Y362 PolarHBondContact O-N 3.39Å; L359-A363 WeakPolarHBondContact O-CB 3.26Å; L359-A363 PolarHBondContact O-N 3.42Å; L359-S377 VanDerWaalsContact CD2-CB 3.49Å; L359-L381 HydrophobicContact CB-CD1 4.19Å; L359-L381 HydrophobicContact CD2-CD1 3.63Å; L359-L381 HydrophobicContact CD2-CG 4.12Å; L359-A399 HydrophobicContact CB-CB 4.07Å; L359-V402 HydrophobicContact CD1-CG2 4.23Å; L359-V402 HydrophobicContact CD2-CG2 4.28Å; L359-L403 HydrophobicContact CD1-CB 3.86Å; L359-L403 HydrophobicContact CD1-CD1 4.27Å; L359-L403 HydrophobicContact CD1-CG 4.5Å
360	R	86.8	Confident	82.4	Confident	86 Å²	86	36.7 Å²	36.7	33%	0.325	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-40.9	175.7	-70.1	-157.6	-49.5	-72.1	15.2	112.5	E273 Y356 F358 R364	E273-R360 IonicContact OE1-CZ 2.94Å; E273-R360 IonicContact OE1-NE 3.84Å; E273-R360 IonicContact OE1-NH1 3.96Å; E273-R360 PolarHBondContact OE1-NH1 3.01Å; E273-R360 IonicContact OE1-NH2 3.94Å; E273-R360 PolarHBondContact OE1-NH2 3.27Å; Y356-R360 HydrophobicContact CD2-CG 4.28Å; Y356-R360 HydrophobicContact CE1-CG 4.15Å; Y356-R360 HydrophobicContact CE2-CG 3.76Å; Y356-R360 WeakPolarHBondContact O-CG 3.48Å; Y356-R360 PolarHBondContact O-N 2.89Å; Y356-R360 PolarHBondContact O-NH1 3.06Å; F358-R360 VanDerWaalsContact C-N 3.34Å; F358-R360 PolarHBondContact O-N 3.22Å; R360-R364 WeakPolarHBondContact O-CG 3.49Å; R360-R364 PolarHBondContact O-N 3.15Å
361	R	82.4	Confident	81.5	Confident	54 Å²	54	37 Å²	37	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-44	178.9	-68.3	176.9	-172.4	142.3	-0.5	111.7	M223 V357 F358 L359 R364	M223-R361 HydrophobicContact CG-CB 4.26Å; M223-R361 HydrophobicContact SD-CB 3.86Å; V357-R361 VanDerWaalsContact CG1-CZ 3.44Å; V357-R361 WeakPolarHBondContact O-CG 3.4Å; V357-R361 PolarHBondContact O-N 2.94Å; F358-R361 PolarHBondContact O-N 3.4Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-R361 PolarHBondContact O-N 3.28Å; R361-R364 PolarHBondContact O-N 3.18Å
362	Y	83.8	Confident	81	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-41.5	177.2	-57.2	-19.6	0	0	0	112	M223 Q227 F358 L359 R364 V365 S396 A399 A400 I585 T586	M223-Y362 HydrophobicContact SD-CD1 4.38Å; M223-Y362 HydrophobicContact SD-CE1 4.35Å; Q227-Y362 PolarHBondContact NE2-OH 3.16Å; Q227-Y362 VanDerWaalsContact NE2-OH 3.11Å; F358-Y362 HydrophobicContact CB-CE2 4.05Å; F358-Y362 HydrophobicContact CD1-CE1 4.25Å; F358-Y362 AromaticContact CD1-CZ 3.89Å; F358-Y362 VanDerWaalsContact O-CG 3.31Å; F358-Y362 PolarHBondContact O-N 3.12Å; L359-Y362 PolarHBondContact O-N 3.39Å; Y362-R364 VanDerWaalsContact C-N 3.28Å; Y362-R364 PolarHBondContact O-N 3.11Å; Y362-V365 WeakPolarHBondContact O-CB 3.49Å; Y362-V365 WeakPolarHBondContact O-CG2 3.48Å; Y362-V365 PolarHBondContact O-N 2.95Å; Y362-V365 VanDerWaalsContact O-N 3.13Å; Y362-S396 WeakPolarHBondContact OH-CB 3.34Å; Y362-A399 HydrophobicContact CD2-CB 4.04Å; Y362-A399 HydrophobicContact CE2-CB 3.93Å; Y362-A400 HydrophobicContact CD2-CB 4.44Å; Y362-A400 HydrophobicContact CE2-CB 4.2Å; Y362-I585 HydrophobicContact CD1-CG2 4.22Å; Y362-I585 HydrophobicContact CE1-CG2 4.36Å; Y362-T586 HydrophobicContact CD1-CG2 3.8Å; Y362-T586 HydrophobicContact CD2-CG2 3.71Å; Y362-T586 HydrophobicContact CE1-CG2 3.75Å; Y362-T586 HydrophobicContact CE2-CG2 3.64Å; Y362-T586 HydrophobicContact CG-CG2 3.78Å
363	A	78.4	Confident	80.6	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-33.8	175.8	0	0	0	0	0	111.9	L359 V365 L366 D367 A368 Q374 L403	L359-A363 WeakPolarHBondContact O-CB 3.26Å; L359-A363 PolarHBondContact O-N 3.42Å; A363-V365 PolarHBondContact O-N 3.47Å; A363-V365 VanDerWaalsContact O-N 3.08Å; A363-L366 PolarHBondContact O-N 3.35Å; A363-D367 HydrophobicContact CB-CB 4.1Å; A363-D367 CarbonylContact O-C 3.55Å; A363-D367 WeakPolarHBondContact O-CA 3.43Å; A363-D367 WeakPolarHBondContact O-CB 3.41Å; A363-D367 PolarHBondContact O-N 3.39Å; A363-A368 PolarHBondContact O-N 3.14Å; A363-Q374 HydrophobicContact CB-CG 4.37Å; A363-L403 HydrophobicContact CB-CD1 4.41Å
364	R	70.4	Confident	80.2	Confident	106 Å²	106	37 Å²	37	40%	0.4	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-13.1	175	-81.8	-175	72.9	170.3	0.8	114.7	M212 R360 R361 Y362	M212-R364 PolarHBondContact O-NH2 2.96Å; R360-R364 WeakPolarHBondContact O-CG 3.49Å; R360-R364 PolarHBondContact O-N 3.15Å; R361-R364 PolarHBondContact O-N 3.18Å; Y362-R364 VanDerWaalsContact C-N 3.28Å; Y362-R364 PolarHBondContact O-N 3.11Å
365	V	66.9	Low	79.9	Confident	36 Å²	36	37.8 Å²	37.8	22%	0.218	19%	0.193	C	C	.	.	H	α-helix	trans	-80.2	-38.9	179	-169.9	0	0	0	0	112.6	Y362 A363 I581 L582 I585	Y362-V365 WeakPolarHBondContact O-CB 3.49Å; Y362-V365 WeakPolarHBondContact O-CG2 3.48Å; Y362-V365 PolarHBondContact O-N 2.95Å; Y362-V365 VanDerWaalsContact O-N 3.13Å; A363-V365 PolarHBondContact O-N 3.47Å; A363-V365 VanDerWaalsContact O-N 3.08Å; V365-I581 HydrophobicContact CG1-CD1 3.88Å; V365-I581 HydrophobicContact CG1-CG1 4.04Å; V365-I581 HydrophobicContact CG1-CG2 4.34Å; V365-L582 HydrophobicContact CB-CD2 3.96Å; V365-L582 HydrophobicContact CG1-CD2 4.21Å; V365-L582 HydrophobicContact CG2-CD2 4.27Å; V365-I585 HydrophobicContact CG1-CD1 3.85Å; V365-I585 HydrophobicContact CG2-CD1 3.77Å
366	L	64.3	Low	79.6	Confident	57 Å²	57	37.5 Å²	37.5	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-143.3	-6.9	-173.6	-63.9	176.7	0	0	0	115	A363 R411 P579 I581 L582	A363-L366 PolarHBondContact O-N 3.35Å; L366-R411 PolarHBondContact O-NH2 3.15Å; L366-P579 HydrophobicContact CD1-CG 3.3Å; L366-I581 HydrophobicContact CD1-CG2 4.02Å; L366-I581 HydrophobicContact CD2-CG2 4.46Å; L366-I581 HydrophobicContact CG-CG2 4.44Å; L366-L582 HydrophobicContact CD1-CD1 3.93Å; L366-L582 HydrophobicContact CD1-CD2 4.45Å; L366-L582 HydrophobicContact CD1-CG 3.84Å
367	D	66.6	Low	79.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	12.2	-171	-67.6	-86.4	0	0	0	112.2	A363 H369 S370 V373 Q374 L403 R407 R411	A363-D367 HydrophobicContact CB-CB 4.1Å; A363-D367 CarbonylContact O-C 3.55Å; A363-D367 WeakPolarHBondContact O-CA 3.43Å; A363-D367 WeakPolarHBondContact O-CB 3.41Å; A363-D367 PolarHBondContact O-N 3.39Å; D367-H369 PolarHBondContact O-N 3.27Å; D367-H369 VanDerWaalsContact O-N 3.12Å; D367-S370 PolarHBondContact O-N 2.93Å; D367-V373 HydrophobicContact CB-CG1 4.28Å; D367-V373 WeakPolarHBondContact OD1-CG1 3.48Å; D367-Q374 PolarHBondContact O-NE2 3.35Å; D367-L403 HydrophobicContact CB-CD1 4.34Å; D367-R407 IonicContact OD1-NH1 3.53Å; D367-R407 WeakPolarHBondContact OD2-CD 3.24Å; D367-R407 IonicContact OD2-CZ 2.88Å; D367-R407 IonicContact OD2-NE 3.63Å; D367-R407 IonicContact OD2-NH1 2.68Å; D367-R407 PolarHBondContact OD2-NH1 2.98Å; D367-R411 VanDerWaalsContact CG-NH2 3.27Å; D367-R411 IonicContact OD1-CZ 2.63Å; D367-R411 IonicContact OD1-NE 3.78Å; D367-R411 PolarHBondContact OD1-NE 2.78Å; D367-R411 IonicContact OD1-NH2 2.86Å; D367-R411 PolarHBondContact OD1-NH2 3.48Å; D367-R411 IonicContact OD2-NH2 3.51Å
368	A	60.9	Low	79.6	Confident	41 Å²	41	37.4 Å²	37.4	34%	0.339	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.5	-175.8	0	0	0	0	0	113.2	A363 Q374	A363-A368 PolarHBondContact O-N 3.14Å; A368-Q374 PolarHBondContact O-NE2 3.16Å
369	H	62.4	Low	79.7	Confident	171 Å²	171	37.4 Å²	37.4	79%	0.792	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.6	179.7	-52.3	-67.9	0	0	0	113.5	D367 G371	D367-H369 PolarHBondContact O-N 3.27Å; D367-H369 VanDerWaalsContact O-N 3.12Å; H369-G371 PolarHBondContact O-N 3.14Å; H369-G371 VanDerWaalsContact O-N 3.16Å
370	S	72.4	Confident	79.9	Confident	26 Å²	26	37.2 Å²	37.2	18%	0.182	19%	0.187	C	C	.	.			trans	-88.8	82.8	-178.7	-166.7	0	0	0	0	111.4	D367 P372 V373 Q374	D367-S370 PolarHBondContact O-N 2.93Å; S370-P372 VanDerWaalsContact C-N 3.34Å; S370-V373 PolarHBondContact O-N 3.26Å; S370-V373 WeakPolarHBondContact OG-CG2 3.06Å; S370-Q374 WeakPolarHBondContact O-CG 3.18Å; S370-Q374 PolarHBondContact O-N 3.2Å
371	G	77.1	Confident	80.4	Confident	28 Å²	28	33.3 Å²	33.3	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-47.2	-49.3	172.9	0	0	0	0	0	113.5	H369 Q374 F375	H369-G371 PolarHBondContact O-N 3.14Å; H369-G371 VanDerWaalsContact O-N 3.16Å; G371-Q374 PolarHBondContact O-N 3.47Å; G371-F375 VanDerWaalsContact O-CB 3.29Å; G371-F375 WeakPolarHBondContact O-CB 3.44Å; G371-F375 PolarHBondContact O-N 3.05Å
372	P	81.5	Confident	81	Confident	50 Å²	50	30.7 Å²	30.7	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-47.5	176.9	-27.7	37	0	0	0	114	S370 Q374 F375 T376 L410	S370-P372 VanDerWaalsContact C-N 3.34Å; P372-Q374 PolarHBondContact O-N 2.94Å; P372-F375 PolarHBondContact O-N 3.28Å; P372-T376 PolarHBondContact O-N 2.96Å; P372-T376 PolarHBondContact O-OG1 2.86Å; P372-L410 VanDerWaalsContact C-CD1 3.48Å; P372-L410 HydrophobicContact CB-CD1 3.97Å; P372-L410 WeakPolarHBondContact O-CD1 3.49Å
373	V	84	Confident	81.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-42.1	179.1	173.9	0	0	0	0	111.2	D367 S370 F375 S377 L403 A406 R407 L410 R411	D367-V373 HydrophobicContact CB-CG1 4.28Å; D367-V373 WeakPolarHBondContact OD1-CG1 3.48Å; S370-V373 PolarHBondContact O-N 3.26Å; S370-V373 WeakPolarHBondContact OG-CG2 3.06Å; V373-F375 VanDerWaalsContact C-N 3.35Å; V373-F375 PolarHBondContact O-N 3.27Å; V373-S377 WeakPolarHBondContact O-CB 3.39Å; V373-S377 PolarHBondContact O-N 2.91Å; V373-S377 PolarHBondContact O-OG 3.37Å; V373-L403 HydrophobicContact CG1-CD1 3.76Å; V373-A406 HydrophobicContact CG1-CB 3.99Å; V373-R407 HydrophobicContact CG1-CG 4.08Å; V373-L410 HydrophobicContact CB-CD1 4.49Å; V373-L410 HydrophobicContact CG2-CB 4.3Å; V373-L410 HydrophobicContact CG2-CD1 4Å; V373-R411 HydrophobicContact CG2-CG 3.96Å
374	Q	84.2	Confident	82.4	Confident	51 Å²	51	30.6 Å²	30.6	24%	0.238	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-39.2	175.9	-66.6	178.6	32	0	0	112.2	A363 D367 A368 S370 G371 P372 R378	A363-Q374 HydrophobicContact CB-CG 4.37Å; D367-Q374 PolarHBondContact O-NE2 3.35Å; A368-Q374 PolarHBondContact O-NE2 3.16Å; S370-Q374 WeakPolarHBondContact O-CG 3.18Å; S370-Q374 PolarHBondContact O-N 3.2Å; G371-Q374 PolarHBondContact O-N 3.47Å; P372-Q374 PolarHBondContact O-N 2.94Å; Q374-R378 WeakPolarHBondContact O-CG 3.46Å; Q374-R378 PolarHBondContact O-N 3.38Å
375	F	88.2	Confident	83.6	Confident	25 Å²	25	25.8 Å²	25.8	11%	0.11	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-49.4	179.9	-169.7	-108.2	0	0	0	112.1	G371 P372 V373 S377 R378 F379 Y675 S678 L681 V683	G371-F375 VanDerWaalsContact O-CB 3.29Å; G371-F375 WeakPolarHBondContact O-CB 3.44Å; G371-F375 PolarHBondContact O-N 3.05Å; P372-F375 PolarHBondContact O-N 3.28Å; V373-F375 VanDerWaalsContact C-N 3.35Å; V373-F375 PolarHBondContact O-N 3.27Å; F375-S377 PolarHBondContact O-N 2.89Å; F375-R378 PolarHBondContact O-N 3.23Å; F375-F379 PolarHBondContact O-N 2.83Å; F375-F379 VanDerWaalsContact O-N 3.08Å; F375-Y675 HydrophobicContact CD1-CD1 4.15Å; F375-Y675 HydrophobicContact CD2-CD1 4.04Å; F375-Y675 HydrophobicContact CD2-CE1 4.18Å; F375-Y675 AromaticContact CE1-CD1 3.68Å; F375-Y675 HydrophobicContact CE1-CD1 3.68Å; F375-Y675 HydrophobicContact CE1-CG 4.35Å; F375-Y675 AromaticContact CE2-CD1 3.55Å; F375-Y675 HydrophobicContact CE2-CD1 3.55Å; F375-Y675 AromaticContact CE2-CE1 3.93Å; F375-Y675 HydrophobicContact CE2-CE1 3.93Å; F375-Y675 HydrophobicContact CG-CD1 4.31Å; F375-Y675 AromaticContact CZ-CD1 3.33Å; F375-Y675 HydrophobicContact CZ-CD1 3.33Å; F375-Y675 HydrophobicContact CZ-CE1 4.18Å; F375-Y675 AromaticContact CZ-CG 3.99Å; F375-Y675 HydrophobicContact CZ-CG 3.99Å; F375-S678 VanDerWaalsContact CE1-CB 3.47Å; F375-S678 WeakPolarHBondContact CZ-OG 3.41Å; F375-L681 WeakPolarHBondContact CE1-O 3.33Å; F375-V683 HydrophobicContact CD1-CG2 4.1Å; F375-V683 HydrophobicContact CE1-CG2 3.89Å
376	T	91.1	Very high	84.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-35.8	175	-63.4	0	0	0	0	112.1	P372 R378 F379 L380 A406 L410 Y687	P372-T376 PolarHBondContact O-N 2.96Å; P372-T376 PolarHBondContact O-OG1 2.86Å; T376-R378 PolarHBondContact O-N 2.77Å; T376-F379 WeakPolarHBondContact O-CB 3.4Å; T376-F379 PolarHBondContact O-N 3.28Å; T376-L380 HydrophobicContact CG2-CD1 3.98Å; T376-L380 HydrophobicContact CG2-CG 4.35Å; T376-L380 WeakPolarHBondContact O-CB 3.33Å; T376-L380 VanDerWaalsContact O-CG 3.22Å; T376-L380 WeakPolarHBondContact O-CG 3.35Å; T376-L380 PolarHBondContact O-N 3.24Å; T376-A406 HydrophobicContact CG2-CB 4.06Å; T376-L410 HydrophobicContact CG2-CD1 4.4Å; T376-Y687 HydrophobicContact CG2-CD2 3.75Å; T376-Y687 HydrophobicContact CG2-CE2 4.01Å
377	S	93.3	Very high	86.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-36.6	175.7	-57.9	0	0	0	0	112.5	L359 V373 F375 L380 L381 A406	L359-S377 VanDerWaalsContact CD2-CB 3.49Å; V373-S377 WeakPolarHBondContact O-CB 3.39Å; V373-S377 PolarHBondContact O-N 2.91Å; V373-S377 PolarHBondContact O-OG 3.37Å; F375-S377 PolarHBondContact O-N 2.89Å; S377-L380 PolarHBondContact O-N 3.04Å; S377-L381 PolarHBondContact O-N 2.75Å; S377-L381 VanDerWaalsContact O-N 3.11Å; S377-A406 VanDerWaalsContact OG-CB 3.23Å; S377-A406 WeakPolarHBondContact OG-CB 3.44Å
378	R	93.6	Very high	87.9	Confident	44 Å²	44	23.5 Å²	23.5	17%	0.166	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-48.9	172.5	-79.7	-175	-72.9	-94.6	-3.1	111.8	Y356 Q374 F375 T376 L380 L381 E382 Y675	Y356-R378 HydrophobicContact CD2-CG 3.95Å; Y356-R378 HydrophobicContact CE2-CG 3.41Å; Y356-R378 VanDerWaalsContact CE2-CG 3.41Å; Y356-R378 PolarHBondContact OH-NH1 2.9Å; Q374-R378 WeakPolarHBondContact O-CG 3.46Å; Q374-R378 PolarHBondContact O-N 3.38Å; F375-R378 PolarHBondContact O-N 3.23Å; T376-R378 PolarHBondContact O-N 2.77Å; R378-L380 VanDerWaalsContact C-N 3.28Å; R378-L380 PolarHBondContact O-N 3.39Å; R378-L381 PolarHBondContact O-N 2.75Å; R378-L381 VanDerWaalsContact O-N 3.15Å; R378-E382 PolarHBondContact O-N 3.33Å; R378-Y675 HydrophobicContact CB-CE1 3.91Å; R378-Y675 WeakPolarHBondContact CB-OH 3.36Å
379	F	94.1	Very high	89.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-52.5	-47.1	172.9	162.9	-109.7	0	0	0	111.8	F375 T376 L381 E382 A383 A604 I608 S671 V672 Y675 V683	F375-F379 PolarHBondContact O-N 2.83Å; F375-F379 VanDerWaalsContact O-N 3.08Å; T376-F379 WeakPolarHBondContact O-CB 3.4Å; T376-F379 PolarHBondContact O-N 3.28Å; F379-L381 VanDerWaalsContact C-N 3.34Å; F379-L381 PolarHBondContact O-N 2.79Å; F379-E382 PolarHBondContact O-N 3.39Å; F379-A383 HydrophobicContact CE2-CB 4.46Å; F379-A383 HydrophobicContact CZ-CB 4.43Å; F379-A383 WeakPolarHBondContact O-CB 3.46Å; F379-A383 PolarHBondContact O-N 3.49Å; F379-A604 HydrophobicContact CE1-CB 3.76Å; F379-A604 HydrophobicContact CZ-CB 4.02Å; F379-I608 HydrophobicContact CE1-CD1 4.48Å; F379-I608 HydrophobicContact CZ-CD1 4.11Å; F379-I608 HydrophobicContact CZ-CG1 4.31Å; F379-S671 VanDerWaalsContact CD2-O 3.28Å; F379-S671 WeakPolarHBondContact CD2-O 3.31Å; F379-S671 WeakPolarHBondContact CE2-O 3.43Å; F379-V672 HydrophobicContact CE2-CG2 4.27Å; F379-Y675 HydrophobicContact CB-CD1 3.6Å; F379-Y675 HydrophobicContact CB-CD2 4.14Å; F379-Y675 HydrophobicContact CB-CE1 3.82Å; F379-Y675 HydrophobicContact CB-CE2 4.31Å; F379-Y675 HydrophobicContact CB-CG 3.79Å; F379-Y675 HydrophobicContact CD2-CD2 4.05Å; F379-Y675 HydrophobicContact CD2-CG 4.12Å; F379-Y675 HydrophobicContact CG-CG 4.36Å; F379-V683 HydrophobicContact CB-CG2 4.31Å; F379-V683 HydrophobicContact CD1-CG1 3.47Å; F379-V683 VanDerWaalsContact CD1-CG1 3.47Å; F379-V683 HydrophobicContact CD1-CG2 4.45Å; F379-V683 HydrophobicContact CD2-CG1 3.87Å; F379-V683 HydrophobicContact CE1-CG1 3.43Å; F379-V683 VanDerWaalsContact CE1-CG1 3.43Å; F379-V683 HydrophobicContact CE2-CG1 3.85Å; F379-V683 HydrophobicContact CG-CG1 3.69Å; F379-V683 HydrophobicContact CG-CG2 4.3Å; F379-V683 HydrophobicContact CZ-CG1 3.63Å
380	L	96.2	Very high	91.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-38	-179.3	-72.6	168	0	0	0	112.1	T376 S377 R378 A383 G384 V402 L405 A406 Y600 A604 Y687	T376-L380 HydrophobicContact CG2-CD1 3.98Å; T376-L380 HydrophobicContact CG2-CG 4.35Å; T376-L380 WeakPolarHBondContact O-CB 3.33Å; T376-L380 VanDerWaalsContact O-CG 3.22Å; T376-L380 WeakPolarHBondContact O-CG 3.35Å; T376-L380 PolarHBondContact O-N 3.24Å; S377-L380 PolarHBondContact O-N 3.04Å; R378-L380 VanDerWaalsContact C-N 3.28Å; R378-L380 PolarHBondContact O-N 3.39Å; L380-A383 PolarHBondContact O-N 3.42Å; L380-G384 PolarHBondContact O-N 3.3Å; L380-V402 HydrophobicContact CB-CB 3.79Å; L380-V402 HydrophobicContact CB-CG1 3.64Å; L380-V402 HydrophobicContact CD1-CB 4.25Å; L380-L405 HydrophobicContact CD1-CB 4.19Å; L380-L405 HydrophobicContact CD1-CD2 3.83Å; L380-L405 HydrophobicContact CD1-CG 3.98Å; L380-L405 HydrophobicContact CD2-CD2 3.82Å; L380-L405 HydrophobicContact CG-CD2 4.46Å; L380-A406 HydrophobicContact CD1-CB 4.25Å; L380-Y600 WeakPolarHBondContact O-CD1 3.39Å; L380-Y600 WeakPolarHBondContact O-CE1 3.26Å; L380-A604 HydrophobicContact CD2-CB 3.92Å; L380-Y687 HydrophobicContact CD1-CE2 4.48Å; L380-Y687 HydrophobicContact CD2-CE2 4.19Å
381	L	96.7	Very high	92.4	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-46.4	173.8	-71.6	-175.4	0	0	0	112.5	P355 Y356 L359 S377 R378 F379 G384 M385 K398 V402	P355-L381 HydrophobicContact CB-CD1 4.23Å; P355-L381 HydrophobicContact CB-CD2 4.02Å; Y356-L381 HydrophobicContact CD2-CD1 4.4Å; L359-L381 HydrophobicContact CB-CD1 4.19Å; L359-L381 HydrophobicContact CD2-CD1 3.63Å; L359-L381 HydrophobicContact CD2-CG 4.12Å; S377-L381 PolarHBondContact O-N 2.75Å; S377-L381 VanDerWaalsContact O-N 3.11Å; R378-L381 PolarHBondContact O-N 2.75Å; R378-L381 VanDerWaalsContact O-N 3.15Å; F379-L381 VanDerWaalsContact C-N 3.34Å; F379-L381 PolarHBondContact O-N 2.79Å; L381-G384 WeakPolarHBondContact O-CA 3.33Å; L381-G384 PolarHBondContact O-N 2.91Å; L381-G384 VanDerWaalsContact O-N 3.12Å; L381-M385 PolarHBondContact O-N 3.39Å; L381-K398 HydrophobicContact CD2-CB 4.43Å; L381-V402 HydrophobicContact CD2-CB 4.46Å; L381-V402 HydrophobicContact CD2-CG1 3.99Å; L381-V402 HydrophobicContact CD2-CG2 3.66Å; L381-V402 HydrophobicContact CG-CG2 3.94Å
382	E	94.9	Very high	93.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-37.8	177.8	-71.2	-179.6	-140.9	0	0	111.9	V262 H272 R378 F379 G384 M385 H386 K674 Y675	V262-E382 WeakPolarHBondContact CG1-OE2 3.46Å; V262-E382 HydrophobicContact CG2-CB 4.48Å; V262-E382 HydrophobicContact CG2-CG 4.39Å; H272-E382 IonicContact CE1-OE1 2.71Å; H272-E382 PolarHBondContact CE1-OE1 3.09Å; H272-E382 VanDerWaalsContact CE1-OE1 3.27Å; H272-E382 IonicContact ND1-OE1 2.87Å; H272-E382 PolarHBondContact ND1-OE1 3.06Å; R378-E382 PolarHBondContact O-N 3.33Å; F379-E382 PolarHBondContact O-N 3.39Å; E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.36Å; E382-M385 WeakPolarHBondContact O-CB 3.05Å; E382-M385 PolarHBondContact O-N 3.01Å; E382-M385 VanDerWaalsContact O-N 3.16Å; E382-H386 PolarHBondContact O-ND1 2.95Å; E382-K674 WeakPolarHBondContact OE1-CE 3.33Å; E382-K674 IonicContact OE1-NZ 3.74Å; E382-K674 PolarHBondContact OE1-NZ 2.77Å; E382-K674 WeakPolarHBondContact OE2-CD 3.48Å; E382-K674 IonicContact OE2-NZ 2.8Å; E382-Y675 PolarHBondContact OE1-OH 2.85Å; E382-Y675 WeakPolarHBondContact OE2-CE2 3.37Å
383	A	94.9	Very high	94	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-38.2	169.6	0	0	0	0	0	111.5	F379 L380 M385 H386 I603 L607	F379-A383 HydrophobicContact CE2-CB 4.46Å; F379-A383 HydrophobicContact CZ-CB 4.43Å; F379-A383 WeakPolarHBondContact O-CB 3.46Å; F379-A383 PolarHBondContact O-N 3.49Å; L380-A383 PolarHBondContact O-N 3.42Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.83Å; A383-H386 WeakPolarHBondContact O-CB 3.32Å; A383-H386 PolarHBondContact O-N 2.78Å; A383-I603 VanDerWaalsContact O-CG2 3.26Å; A383-I603 WeakPolarHBondContact O-CG2 3.36Å; A383-L607 HydrophobicContact CB-CD1 3.84Å
384	G	96.7	Very high	94.5	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-26.9	175.7	0	0	0	0	0	115.1	L380 L381 E382 H386 S387 Y600	L380-G384 PolarHBondContact O-N 3.3Å; L381-G384 WeakPolarHBondContact O-CA 3.33Å; L381-G384 PolarHBondContact O-N 2.91Å; L381-G384 VanDerWaalsContact O-N 3.12Å; E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.36Å; G384-H386 PolarHBondContact O-N 3.43Å; G384-S387 PolarHBondContact O-N 3.05Å; G384-S387 VanDerWaalsContact O-N 3.15Å; G384-Y600 VanDerWaalsContact CA-CE1 3.5Å
385	M	96.3	Very high	95	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-65.2	-23.3	175	-63.6	170.3	51.5	0	0	112	A258 L261 I275 W279 L381 E382 A383 S387	A258-M385 HydrophobicContact CB-CB 3.9Å; A258-M385 WeakPolarHBondContact CB-O 3.43Å; L261-M385 HydrophobicContact CB-CE 4.37Å; L261-M385 HydrophobicContact CD2-CE 4.09Å; I275-M385 HydrophobicContact CG1-CE 4.37Å; W279-M385 HydrophobicContact CB-CE 4.1Å; W279-M385 HydrophobicContact CD2-CE 3.9Å; W279-M385 HydrophobicContact CD2-CG 4.49Å; W279-M385 HydrophobicContact CE3-CE 4.14Å; W279-M385 HydrophobicContact CG-CE 3.93Å; W279-M385 HydrophobicContact CG-CG 4.25Å; W279-M385 HydrophobicContact CZ2-CB 4.2Å; W279-M385 WeakPolarHBondContact CZ2-O 3.48Å; L381-M385 PolarHBondContact O-N 3.39Å; E382-M385 WeakPolarHBondContact O-CB 3.05Å; E382-M385 PolarHBondContact O-N 3.01Å; E382-M385 VanDerWaalsContact O-N 3.16Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.83Å; M385-S387 PolarHBondContact O-N 3.46Å; M385-S387 VanDerWaalsContact O-N 3.1Å
386	H	94.3	Very high	95.3	Very high	11 Å²	11	17 Å²	17	5%	0.051	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	13.3	174.7	-64.8	71.2	0	0	0	113.2	T255 D259 E382 A383 G384 I603 L607 S671	T255-H386 HydrophobicContact CG2-CB 4.14Å; D259-H386 IonicContact OD1-NE2 3.75Å; E382-H386 PolarHBondContact O-ND1 2.95Å; A383-H386 WeakPolarHBondContact O-CB 3.32Å; A383-H386 PolarHBondContact O-N 2.78Å; G384-H386 PolarHBondContact O-N 3.43Å; H386-I603 HydrophobicContact CB-CG2 4.13Å; H386-L607 HydrophobicContact CB-CD1 4.18Å; H386-L607 HydrophobicContact CB-CD2 4.26Å; H386-S671 PolarHBondContact CE1-OG 2.75Å
387	S	95.9	Very high	95.5	Very high	20 Å²	20	19.5 Å²	19.5	14%	0.14	9%	0.094	C	C	.	.			trans	-139.3	124.6	171.2	174	0	0	0	0	111.9	G384 M385 T389 I390 S391	G384-S387 PolarHBondContact O-N 3.05Å; G384-S387 VanDerWaalsContact O-N 3.15Å; M385-S387 PolarHBondContact O-N 3.46Å; M385-S387 VanDerWaalsContact O-N 3.1Å; S387-T389 VanDerWaalsContact C-N 3.35Å; S387-T389 PolarHBondContact OG-N 2.95Å; S387-T389 PolarHBondContact OG-OG1 3.36Å; S387-T389 VanDerWaalsContact OG-OG1 3.13Å; S387-I390 PolarHBondContact O-N 3.1Å; S387-I390 PolarHBondContact OG-N 3.43Å; S387-S391 WeakPolarHBondContact O-CB 3.5Å; S387-S391 PolarHBondContact O-N 2.94Å; S387-S391 PolarHBondContact O-OG 3.16Å
388	H	96.6	Very high	95.7	Very high	16 Å²	16	19.9 Å²	19.9	7%	0.074	10%	0.096	C	C	.	.	H	α-helix	trans	-58.7	-44.7	170.3	-176.9	63.5	0	0	0	111.5	D239 F240 L254 Y283 I390 S391 L392	D239-H388 IonicContact OD1-CD2 3.75Å; D239-H388 IonicContact OD1-CE1 3.69Å; D239-H388 IonicContact OD1-NE2 2.79Å; D239-H388 PolarHBondContact OD1-NE2 3.45Å; D239-H388 IonicContact OD2-CD2 3.55Å; D239-H388 IonicContact OD2-NE2 3.65Å; D239-H388 PolarHBondContact OD2-NE2 2.84Å; F240-H388 AromaticContact CE1-CE1 3.76Å; F240-H388 AromaticContact CE2-CE1 3.95Å; F240-H388 AromaticContact CZ-CE1 3.57Å; F240-H388 AromaticContact CZ-ND1 3.86Å; L254-H388 HydrophobicContact CD1-CB 4.29Å; Y283-H388 AromaticContact CE1-ND1 3.7Å; H388-I390 VanDerWaalsContact C-N 3.27Å; H388-I390 PolarHBondContact O-N 2.61Å; H388-S391 PolarHBondContact O-N 3.21Å; H388-L392 WeakPolarHBondContact O-CG 3.13Å; H388-L392 PolarHBondContact O-N 2.91Å
389	T	96.5	Very high	95.8	Very high	63 Å²	63	17.8 Å²	17.8	39%	0.387	9%	0.088	S	C	.	.	H	α-helix	trans	-70	-20.9	-177.2	68.7	0	0	0	0	113.8	S387 K393	S387-T389 VanDerWaalsContact C-N 3.35Å; S387-T389 PolarHBondContact OG-N 2.95Å; S387-T389 PolarHBondContact OG-OG1 3.36Å; S387-T389 VanDerWaalsContact OG-OG1 3.13Å; T389-K393 VanDerWaalsContact O-CE 3.32Å; T389-K393 WeakPolarHBondContact O-CE 3.28Å; T389-K393 WeakPolarHBondContact O-CG 3.23Å
390	I	97.4	Very high	95.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-82.7	-44.1	165.8	-68.2	-164.4	0	0	0	110.4	S387 H388 L392 K393 K398 L596 R599 Y600 I603	S387-I390 PolarHBondContact O-N 3.1Å; S387-I390 PolarHBondContact OG-N 3.43Å; H388-I390 VanDerWaalsContact C-N 3.27Å; H388-I390 PolarHBondContact O-N 2.61Å; I390-L392 PolarHBondContact O-N 2.96Å; I390-L392 VanDerWaalsContact O-N 3.15Å; I390-K393 PolarHBondContact O-N 3.48Å; I390-K398 HydrophobicContact CG2-CG 4.47Å; I390-K398 WeakPolarHBondContact O-CE 3.41Å; I390-L596 HydrophobicContact CD1-CD1 4.25Å; I390-L596 HydrophobicContact CG1-CD1 4.03Å; I390-L596 HydrophobicContact CG2-CD1 4.45Å; I390-R599 HydrophobicContact CD1-CB 3.96Å; I390-R599 HydrophobicContact CG1-CB 4.28Å; I390-Y600 HydrophobicContact CD1-CD1 3.99Å; I390-Y600 HydrophobicContact CD1-CD2 3.92Å; I390-Y600 HydrophobicContact CD1-CE1 4.24Å; I390-Y600 HydrophobicContact CD1-CE2 4.16Å; I390-Y600 HydrophobicContact CD1-CG 3.82Å; I390-Y600 HydrophobicContact CG2-CE1 3.97Å; I390-Y600 HydrophobicContact CG2-CE2 3.9Å; I390-Y600 WeakPolarHBondContact CG2-OH 3.16Å; I390-I603 HydrophobicContact CD1-CD1 3.4Å; I390-I603 VanDerWaalsContact CD1-CD1 3.4Å; I390-I603 HydrophobicContact CG1-CD1 4.06Å
391	S	96.9	Very high	95.8	Very high	9 Å²	9	17.8 Å²	17.8	6%	0.063	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-26.1	-177	-63.8	0	0	0	0	113.5	W279 Y283 S387 H388 K398	W279-S391 PolarHBondContact NE1-OG 2.89Å; Y283-S391 VanDerWaalsContact CZ-CB 3.43Å; Y283-S391 WeakPolarHBondContact OH-CB 3.2Å; S387-S391 WeakPolarHBondContact O-CB 3.5Å; S387-S391 PolarHBondContact O-N 2.94Å; S387-S391 PolarHBondContact O-OG 3.16Å; H388-S391 PolarHBondContact O-N 3.21Å; S391-K398 PolarHBondContact O-NZ 2.83Å
392	L	96.5	Very high	95.8	Very high	43 Å²	43	17.6 Å²	17.6	23%	0.225	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.6	172	-65.8	176.6	0	0	0	115.7	V237 N238 D239 Y283 H388 I390	V237-L392 HydrophobicContact CB-CD2 4.46Å; V237-L392 HydrophobicContact CG1-CD2 3.96Å; N238-L392 WeakPolarHBondContact O-CD2 3.36Å; D239-L392 HydrophobicContact CB-CD1 3.64Å; D239-L392 WeakPolarHBondContact OD2-CD1 3.25Å; Y283-L392 HydrophobicContact CD1-CD2 4.35Å; Y283-L392 HydrophobicContact CE1-CD2 4.47Å; H388-L392 WeakPolarHBondContact O-CG 3.13Å; H388-L392 PolarHBondContact O-N 2.91Å; I390-L392 PolarHBondContact O-N 2.96Å; I390-L392 VanDerWaalsContact O-N 3.15Å
393	K	95.9	Very high	95.7	Very high	64 Å²	64	17.6 Å²	17.6	28%	0.278	9%	0.087	S	C	.	.	S	Bend	trans	-81.4	155.8	179.2	-52	-57.5	-175.6	-178.8	0	110.9	D160 T389 I390 K398 L596	D160-K393 IonicContact OD1-NZ 2.68Å; D160-K393 PolarHBondContact OD1-NZ 3.26Å; T389-K393 VanDerWaalsContact O-CE 3.32Å; T389-K393 WeakPolarHBondContact O-CE 3.28Å; T389-K393 WeakPolarHBondContact O-CG 3.23Å; I390-K393 PolarHBondContact O-N 3.48Å; K393-K398 WeakPolarHBondContact O-CD 3.48Å; K393-K398 WeakPolarHBondContact O-CE 3.45Å; K393-K398 PolarHBondContact O-NZ 3.39Å; K393-L596 HydrophobicContact CB-CD2 4.4Å; K393-L596 HydrophobicContact CG-CD1 4.2Å
394	R	93.9	Very high	95.6	Very high	35 Å²	35	18 Å²	18	13%	0.132	9%	0.088	C	C	.	.			trans	-57	144.8	-178.8	-76.3	-172.8	-175.4	145	15.3	113.5	D164 E230 R397 K398	D164-R394 PolarHBondContact O-NH1 2.9Å; D164-R394 PolarHBondContact O-NH2 3.34Å; E230-R394 HydrophobicContact CG-CG 4.24Å; R394-R397 HydrophobicContact CB-CB 4.15Å; R394-R397 PolarHBondContact O-N 3.29Å; R394-R397 VanDerWaalsContact O-N 3.15Å; R394-K398 WeakPolarHBondContact O-CG 3.43Å; R394-K398 PolarHBondContact O-N 2.96Å
395	E	95.5	Very high	95.5	Very high	40 Å²	40	17.9 Å²	17.9	19%	0.187	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-36.4	-174.3	-52.2	-48.2	144.9	0	0	112.4	E230 P353 P355 F358 K398 A399	E230-E395 PolarHBondContact OE2-N 2.96Å; P353-E395 HydrophobicContact CB-CB 4.45Å; P353-E395 HydrophobicContact CB-CG 4.3Å; P355-E395 HydrophobicContact CB-CB 4.15Å; P355-E395 VanDerWaalsContact CD-OE2 3.28Å; P355-E395 WeakPolarHBondContact CD-OE2 3.48Å; P355-E395 VanDerWaalsContact CG-OE2 3.3Å; P355-E395 WeakPolarHBondContact CG-OE2 3.23Å; F358-E395 HydrophobicContact CD2-CB 3.91Å; F358-E395 HydrophobicContact CE2-CB 4Å; E395-K398 IonicContact OE1-NZ 2.86Å; E395-K398 PolarHBondContact OE1-NZ 3.2Å; E395-K398 WeakPolarHBondContact OE2-CD 3.47Å; E395-K398 IonicContact OE2-NZ 2.69Å; E395-K398 PolarHBondContact OE2-NZ 2.85Å; E395-A399 WeakPolarHBondContact O-CB 3.47Å; E395-A399 PolarHBondContact O-N 3.38Å
396	S	93.8	Very high	95.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-40.6	170.4	64.2	0	0	0	0	112.3	E230 Y362 A399 A400 Y588	E230-S396 WeakPolarHBondContact OE1-CB 3.42Å; E230-S396 PolarHBondContact OE1-OG 3.32Å; E230-S396 PolarHBondContact OE2-N 3.43Å; E230-S396 PolarHBondContact OE2-OG 3.49Å; Y362-S396 WeakPolarHBondContact OH-CB 3.34Å; S396-A399 PolarHBondContact O-N 3.39Å; S396-A400 WeakPolarHBondContact O-CB 3.46Å; S396-A400 PolarHBondContact O-N 2.75Å; S396-Y588 PolarHBondContact OG-OH 3.24Å
397	R	95.2	Very high	94.9	Very high	52 Å²	52	17.9 Å²	17.9	20%	0.196	9%	0.087	C	C	.	.	H	α-helix	trans	-70.8	-40.8	-179.5	-159.2	173.2	174.5	-176.3	-8.4	111.9	D164 R394 A400 A401 Y588 N592 L593 L596	D164-R397 IonicContact OD2-CZ 2.99Å; D164-R397 IonicContact OD2-NH1 3.12Å; D164-R397 PolarHBondContact OD2-NH1 2.91Å; R394-R397 HydrophobicContact CB-CB 4.15Å; R394-R397 PolarHBondContact O-N 3.29Å; R394-R397 VanDerWaalsContact O-N 3.15Å; R397-A400 PolarHBondContact O-N 3.17Å; R397-A401 VanDerWaalsContact O-CB 3.29Å; R397-A401 WeakPolarHBondContact O-CB 3.29Å; R397-A401 PolarHBondContact O-N 3.26Å; R397-Y588 HydrophobicContact CB-CE1 4.17Å; R397-Y588 HydrophobicContact CB-CE2 3.86Å; R397-Y588 HydrophobicContact CG-CD1 4.23Å; R397-Y588 HydrophobicContact CG-CE1 3.78Å; R397-Y588 HydrophobicContact CG-CE2 4.14Å; R397-N592 PolarHBondContact NE-O 3.46Å; R397-N592 PolarHBondContact NH2-O 3.46Å; R397-L593 HydrophobicContact CG-CD2 4.29Å; R397-L596 HydrophobicContact CB-CD2 4.42Å; R397-L596 HydrophobicContact CG-CD2 4.01Å
398	K	97.7	Very high	94.5	Very high	9 Å²	9	17.1 Å²	17.1	4%	0.039	8%	0.081	C	C	.	.	H	α-helix	trans	-54.2	-55.2	169.4	-75.3	161.9	167.1	155.7	0	110.6	P355 L381 I390 S391 K393 R394 E395 A400 A401 V402 Y600	P355-K398 HydrophobicContact CB-CB 4.22Å; P355-K398 HydrophobicContact CB-CD 4.43Å; L381-K398 HydrophobicContact CD2-CB 4.43Å; I390-K398 HydrophobicContact CG2-CG 4.47Å; I390-K398 WeakPolarHBondContact O-CE 3.41Å; S391-K398 PolarHBondContact O-NZ 2.83Å; K393-K398 WeakPolarHBondContact O-CD 3.48Å; K393-K398 WeakPolarHBondContact O-CE 3.45Å; K393-K398 PolarHBondContact O-NZ 3.39Å; R394-K398 WeakPolarHBondContact O-CG 3.43Å; R394-K398 PolarHBondContact O-N 2.96Å; E395-K398 IonicContact OE1-NZ 2.86Å; E395-K398 PolarHBondContact OE1-NZ 3.2Å; E395-K398 WeakPolarHBondContact OE2-CD 3.47Å; E395-K398 IonicContact OE2-NZ 2.69Å; E395-K398 PolarHBondContact OE2-NZ 2.85Å; K398-A400 PolarHBondContact O-N 3.44Å; K398-A401 PolarHBondContact O-N 2.91Å; K398-V402 PolarHBondContact O-N 2.99Å; K398-Y600 VanDerWaalsContact CB-OH 3.27Å; K398-Y600 WeakPolarHBondContact CB-OH 3.3Å; K398-Y600 VanDerWaalsContact CG-OH 3.31Å; K398-Y600 WeakPolarHBondContact CG-OH 3.39Å
399	A	95.9	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-43.2	179.7	0	0	0	0	0	113.5	P355 F358 L359 Y362 E395 S396 V402 L403	P355-A399 WeakPolarHBondContact O-CB 3.46Å; F358-A399 HydrophobicContact CB-CB 3.52Å; L359-A399 HydrophobicContact CB-CB 4.07Å; Y362-A399 HydrophobicContact CD2-CB 4.04Å; Y362-A399 HydrophobicContact CE2-CB 3.93Å; E395-A399 WeakPolarHBondContact O-CB 3.47Å; E395-A399 PolarHBondContact O-N 3.38Å; S396-A399 PolarHBondContact O-N 3.39Å; A399-V402 WeakPolarHBondContact O-CG2 3.43Å; A399-L403 WeakPolarHBondContact O-CB 3.16Å; A399-L403 PolarHBondContact O-N 3Å; A399-L403 VanDerWaalsContact O-N 3.16Å
400	A	94.1	Very high	93.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.8	-44	177.3	0	0	0	0	0	112.1	Y362 S396 R397 K398 L403 W404 W578 T586 Y588 L593	Y362-A400 HydrophobicContact CD2-CB 4.44Å; Y362-A400 HydrophobicContact CE2-CB 4.2Å; S396-A400 WeakPolarHBondContact O-CB 3.46Å; S396-A400 PolarHBondContact O-N 2.75Å; R397-A400 PolarHBondContact O-N 3.17Å; K398-A400 PolarHBondContact O-N 3.44Å; A400-L403 PolarHBondContact O-N 3.47Å; A400-W404 WeakPolarHBondContact O-CB 3.33Å; A400-W404 PolarHBondContact O-N 3.3Å; A400-W578 HydrophobicContact CB-CH2 3.82Å; A400-W578 HydrophobicContact CB-CZ2 3.82Å; A400-W578 WeakPolarHBondContact O-CH2 3.45Å; A400-T586 HydrophobicContact CB-CG2 4.32Å; A400-Y588 HydrophobicContact CB-CD2 3.99Å; A400-L593 HydrophobicContact CB-CD1 3.98Å; A400-L593 HydrophobicContact CB-CD2 3.67Å
401	A	96.9	Very high	91.9	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.4	-39.9	-179.1	0	0	0	0	0	113	R397 K398 L405 L593 L596 A597 Y600	R397-A401 VanDerWaalsContact O-CB 3.29Å; R397-A401 WeakPolarHBondContact O-CB 3.29Å; R397-A401 PolarHBondContact O-N 3.26Å; K398-A401 PolarHBondContact O-N 2.91Å; A401-L405 VanDerWaalsContact O-CB 3.31Å; A401-L405 WeakPolarHBondContact O-CB 3.43Å; A401-L405 PolarHBondContact O-N 3.41Å; A401-L593 HydrophobicContact CB-CB 4.46Å; A401-L593 HydrophobicContact CB-CD2 4.34Å; A401-L596 HydrophobicContact CB-CB 4.04Å; A401-L596 HydrophobicContact CB-CD2 3.89Å; A401-L596 HydrophobicContact CB-CG 3.85Å; A401-A597 HydrophobicContact CB-CB 4.44Å; A401-Y600 HydrophobicContact CB-CD2 4.43Å; A401-Y600 HydrophobicContact CB-CE2 4.45Å
402	V	96.4	Very high	90.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72.6	-35.9	176.3	-58.8	0	0	0	0	112.8	L359 L380 L381 K398 A399 L405 A406 Y600	L359-V402 HydrophobicContact CD1-CG2 4.23Å; L359-V402 HydrophobicContact CD2-CG2 4.28Å; L380-V402 HydrophobicContact CB-CB 3.79Å; L380-V402 HydrophobicContact CB-CG1 3.64Å; L380-V402 HydrophobicContact CD1-CB 4.25Å; L381-V402 HydrophobicContact CD2-CB 4.46Å; L381-V402 HydrophobicContact CD2-CG1 3.99Å; L381-V402 HydrophobicContact CD2-CG2 3.66Å; L381-V402 HydrophobicContact CG-CG2 3.94Å; K398-V402 PolarHBondContact O-N 2.99Å; A399-V402 WeakPolarHBondContact O-CG2 3.43Å; V402-L405 PolarHBondContact O-N 3.07Å; V402-A406 VanDerWaalsContact O-CB 3.31Å; V402-A406 WeakPolarHBondContact O-CB 3.27Å; V402-A406 PolarHBondContact O-N 3.38Å; V402-Y600 HydrophobicContact CG1-CD1 3.66Å; V402-Y600 HydrophobicContact CG1-CD2 3.82Å; V402-Y600 HydrophobicContact CG1-CE1 3.47Å; V402-Y600 VanDerWaalsContact CG1-CE1 3.47Å; V402-Y600 HydrophobicContact CG1-CE2 3.66Å; V402-Y600 HydrophobicContact CG1-CG 3.83Å; V402-Y600 VanDerWaalsContact CG1-CZ 3.48Å
403	L	92.6	Very high	88.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-44	175.4	179.6	60.3	0	0	0	110.5	L359 A363 D367 V373 A399 A400 R407 W578 L582	L359-L403 HydrophobicContact CD1-CB 3.86Å; L359-L403 HydrophobicContact CD1-CD1 4.27Å; L359-L403 HydrophobicContact CD1-CG 4.5Å; A363-L403 HydrophobicContact CB-CD1 4.41Å; D367-L403 HydrophobicContact CB-CD1 4.34Å; V373-L403 HydrophobicContact CG1-CD1 3.76Å; A399-L403 WeakPolarHBondContact O-CB 3.16Å; A399-L403 PolarHBondContact O-N 3Å; A399-L403 VanDerWaalsContact O-N 3.16Å; A400-L403 PolarHBondContact O-N 3.47Å; L403-R407 HydrophobicContact CD1-CG 4.37Å; L403-R407 WeakPolarHBondContact O-CB 3.23Å; L403-R407 WeakPolarHBondContact O-CD 3.35Å; L403-R407 WeakPolarHBondContact O-CG 3.47Å; L403-R407 PolarHBondContact O-N 2.85Å; L403-W578 HydrophobicContact CB-CZ3 4.28Å; L403-W578 HydrophobicContact CD2-CH2 4.32Å; L403-W578 HydrophobicContact CD2-CZ3 4.21Å; L403-W578 HydrophobicContact CG-CZ3 4.17Å; L403-L582 HydrophobicContact CD2-CD1 4.36Å
404	W	93.4	Very high	86	Confident	7 Å²	7	21.2 Å²	21.2	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-58.3	-51.7	172.7	178.8	77.5	0	0	0	111.4	A400 A406 R407 V408 W578 E590 L593 I594 A597 F695 F699	A400-W404 WeakPolarHBondContact O-CB 3.33Å; A400-W404 PolarHBondContact O-N 3.3Å; W404-A406 PolarHBondContact O-N 3.08Å; W404-R407 WeakPolarHBondContact O-CB 3.18Å; W404-R407 PolarHBondContact O-N 3.13Å; W404-R407 VanDerWaalsContact O-N 3.11Å; W404-V408 HydrophobicContact CD2-CG2 3.74Å; W404-V408 VanDerWaalsContact CE2-CG2 3.44Å; W404-V408 HydrophobicContact CE3-CG2 4.07Å; W404-V408 HydrophobicContact CG-CG2 4.32Å; W404-V408 HydrophobicContact CH2-CG2 3.87Å; W404-V408 HydrophobicContact CZ2-CG2 3.53Å; W404-V408 HydrophobicContact CZ3-CG2 4.14Å; W404-V408 WeakPolarHBondContact O-CG2 3.41Å; W404-V408 PolarHBondContact O-N 3.37Å; W404-W578 HydrophobicContact CB-CE3 3.74Å; W404-W578 HydrophobicContact CB-CZ3 3.86Å; W404-W578 AromaticContact CD1-CE3 3.9Å; W404-W578 HydrophobicContact CG-CE3 4.24Å; W404-E590 PolarHBondContact NE1-OE1 3.31Å; W404-L593 HydrophobicContact CB-CD1 4.27Å; W404-I594 HydrophobicContact CH2-CB 4.48Å; W404-I594 HydrophobicContact CH2-CD1 4.48Å; W404-I594 HydrophobicContact CH2-CG1 3.66Å; W404-I594 HydrophobicContact CZ2-CD1 4.29Å; W404-I594 HydrophobicContact CZ2-CG1 3.73Å; W404-I594 HydrophobicContact CZ3-CG1 4.2Å; W404-A597 HydrophobicContact CE3-CB 3.41Å; W404-A597 VanDerWaalsContact CE3-CB 3.41Å; W404-A597 HydrophobicContact CZ3-CB 3.43Å; W404-A597 VanDerWaalsContact CZ3-CB 3.43Å; W404-F695 AromaticContact CH2-CE2 3.83Å; W404-F695 HydrophobicContact CH2-CE2 3.83Å; W404-F695 AromaticContact CZ3-CE2 3.73Å; W404-F695 HydrophobicContact CZ3-CE2 3.73Å; W404-F699 HydrophobicContact CH2-CE2 4.02Å; W404-F699 AromaticContact CH2-CZ 3.83Å; W404-F699 HydrophobicContact CH2-CZ 3.83Å
405	L	93.9	Very high	84.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-45.9	-179.4	-179.1	58.4	0	0	0	112.4	L380 A401 V402 R407 V408 V409 A597 H601 F695	L380-L405 HydrophobicContact CD1-CB 4.19Å; L380-L405 HydrophobicContact CD1-CD2 3.83Å; L380-L405 HydrophobicContact CD1-CG 3.98Å; L380-L405 HydrophobicContact CD2-CD2 3.82Å; L380-L405 HydrophobicContact CG-CD2 4.46Å; A401-L405 VanDerWaalsContact O-CB 3.31Å; A401-L405 WeakPolarHBondContact O-CB 3.43Å; A401-L405 PolarHBondContact O-N 3.41Å; V402-L405 PolarHBondContact O-N 3.07Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 2.91Å; L405-V408 PolarHBondContact O-N 3.37Å; L405-V409 HydrophobicContact CD1-CG2 4.05Å; L405-V409 WeakPolarHBondContact O-CB 3.14Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.02Å; L405-A597 HydrophobicContact CB-CB 4.14Å; L405-A597 WeakPolarHBondContact CD2-O 3.31Å; L405-H601 HydrophobicContact CD1-CB 4.27Å; L405-H601 HydrophobicContact CD2-CB 4.03Å; L405-F695 HydrophobicContact CD1-CD1 4.39Å; L405-F695 HydrophobicContact CD1-CD2 3.71Å; L405-F695 HydrophobicContact CD1-CE1 4.17Å; L405-F695 HydrophobicContact CD1-CE2 3.46Å; L405-F695 VanDerWaalsContact CD1-CE2 3.46Å; L405-F695 HydrophobicContact CD1-CG 4.19Å; L405-F695 HydrophobicContact CD1-CZ 3.7Å
406	A	91.3	Very high	82.4	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-35.8	176.6	0	0	0	0	0	112.1	V373 T376 S377 L380 V402 W404 L410	V373-A406 HydrophobicContact CG1-CB 3.99Å; T376-A406 HydrophobicContact CG2-CB 4.06Å; S377-A406 VanDerWaalsContact OG-CB 3.23Å; S377-A406 WeakPolarHBondContact OG-CB 3.44Å; L380-A406 HydrophobicContact CD1-CB 4.25Å; V402-A406 VanDerWaalsContact O-CB 3.31Å; V402-A406 WeakPolarHBondContact O-CB 3.27Å; V402-A406 PolarHBondContact O-N 3.38Å; W404-A406 PolarHBondContact O-N 3.08Å; A406-L410 VanDerWaalsContact O-CB 3.25Å; A406-L410 WeakPolarHBondContact O-CB 3.37Å; A406-L410 WeakPolarHBondContact O-CG 3.36Å; A406-L410 PolarHBondContact O-N 3.13Å
407	R	87.6	Confident	80.9	Confident	16 Å²	16	22.3 Å²	22.3	6%	0.06	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-42.3	172.7	-71.7	166.5	60.7	87.7	3.7	111.7	D367 V373 L403 W404 L405 R411 L577	D367-R407 IonicContact OD1-NH1 3.53Å; D367-R407 WeakPolarHBondContact OD2-CD 3.24Å; D367-R407 IonicContact OD2-CZ 2.88Å; D367-R407 IonicContact OD2-NE 3.63Å; D367-R407 IonicContact OD2-NH1 2.68Å; D367-R407 PolarHBondContact OD2-NH1 2.98Å; V373-R407 HydrophobicContact CG1-CG 4.08Å; L403-R407 HydrophobicContact CD1-CG 4.37Å; L403-R407 WeakPolarHBondContact O-CB 3.23Å; L403-R407 WeakPolarHBondContact O-CD 3.35Å; L403-R407 WeakPolarHBondContact O-CG 3.47Å; L403-R407 PolarHBondContact O-N 2.85Å; W404-R407 WeakPolarHBondContact O-CB 3.18Å; W404-R407 PolarHBondContact O-N 3.13Å; W404-R407 VanDerWaalsContact O-N 3.11Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 2.91Å; R407-R411 VanDerWaalsContact O-CB 3.27Å; R407-R411 WeakPolarHBondContact O-CB 3.02Å; R407-R411 PolarHBondContact O-N 2.86Å; R407-L577 PolarHBondContact NE-O 3.34Å; R407-L577 PolarHBondContact NH2-O 3.01Å
408	V	85.8	Confident	79.6	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-51.2	176.6	-170.9	0	0	0	0	110.9	W404 L405 L410 L577 N694 F695	W404-V408 HydrophobicContact CD2-CG2 3.74Å; W404-V408 VanDerWaalsContact CE2-CG2 3.44Å; W404-V408 HydrophobicContact CE3-CG2 4.07Å; W404-V408 HydrophobicContact CG-CG2 4.32Å; W404-V408 HydrophobicContact CH2-CG2 3.87Å; W404-V408 HydrophobicContact CZ2-CG2 3.53Å; W404-V408 HydrophobicContact CZ3-CG2 4.14Å; W404-V408 WeakPolarHBondContact O-CG2 3.41Å; W404-V408 PolarHBondContact O-N 3.37Å; L405-V408 PolarHBondContact O-N 3.37Å; V408-L410 PolarHBondContact O-N 2.83Å; V408-L577 HydrophobicContact CB-CD1 4.06Å; V408-L577 HydrophobicContact CG1-CD1 3.82Å; V408-L577 HydrophobicContact CG2-CB 4.28Å; V408-L577 HydrophobicContact CG2-CD1 3.72Å; V408-L577 HydrophobicContact CG2-CG 4.42Å; V408-N694 WeakPolarHBondContact CG1-O 3.46Å; V408-F695 HydrophobicContact CB-CD2 4.11Å; V408-F695 HydrophobicContact CG1-CB 4.29Å; V408-F695 HydrophobicContact CG1-CD2 3.77Å
409	V	87.8	Confident	78.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-39.9	-176.7	172	0	0	0	0	112.2	L405 Y687 L690 N694 F695	L405-V409 HydrophobicContact CD1-CG2 4.05Å; L405-V409 WeakPolarHBondContact O-CB 3.14Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.02Å; V409-Y687 HydrophobicContact CB-CE2 4.36Å; V409-Y687 HydrophobicContact CG1-CD2 3.93Å; V409-Y687 HydrophobicContact CG1-CE2 3.98Å; V409-Y687 HydrophobicContact CG2-CE2 4.01Å; V409-L690 HydrophobicContact CG1-CB 3.88Å; V409-N694 PolarHBondContact O-ND2 3.44Å; V409-F695 HydrophobicContact CG2-CB 3.82Å; V409-F695 HydrophobicContact CG2-CG 4.24Å
410	L	81.6	Confident	76.9	Confident	29 Å²	29	26.8 Å²	26.8	15%	0.152	14%	0.135	C	C	.	.	H	α-helix	trans	-102	-37.4	-171.4	-57.9	178	0	0	0	115.2	P372 V373 T376 A406 V408 L681 L690	P372-L410 VanDerWaalsContact C-CD1 3.48Å; P372-L410 HydrophobicContact CB-CD1 3.97Å; P372-L410 WeakPolarHBondContact O-CD1 3.49Å; V373-L410 HydrophobicContact CB-CD1 4.49Å; V373-L410 HydrophobicContact CG2-CB 4.3Å; V373-L410 HydrophobicContact CG2-CD1 4Å; T376-L410 HydrophobicContact CG2-CD1 4.4Å; A406-L410 VanDerWaalsContact O-CB 3.25Å; A406-L410 WeakPolarHBondContact O-CB 3.37Å; A406-L410 WeakPolarHBondContact O-CG 3.36Å; A406-L410 PolarHBondContact O-N 3.13Å; V408-L410 PolarHBondContact O-N 2.83Å; L410-L681 HydrophobicContact CD2-CD2 3.76Å; L410-L690 HydrophobicContact CD2-CD1 3.62Å
411	R	66.9	Low	76.2	Confident	110 Å²	110	31.4 Å²	31.4	42%	0.415	15%	0.152	S	C	.	.	H	α-helix	trans	-87	-6.2	-169.1	-69.1	-171.7	169.3	-122.9	3.3	114.3	L366 D367 V373 R407 P413	L366-R411 PolarHBondContact O-NH2 3.15Å; D367-R411 VanDerWaalsContact CG-NH2 3.27Å; D367-R411 IonicContact OD1-CZ 2.63Å; D367-R411 IonicContact OD1-NE 3.78Å; D367-R411 PolarHBondContact OD1-NE 2.78Å; D367-R411 IonicContact OD1-NH2 2.86Å; D367-R411 PolarHBondContact OD1-NH2 3.48Å; D367-R411 IonicContact OD2-NH2 3.51Å; V373-R411 HydrophobicContact CG2-CG 3.96Å; R407-R411 VanDerWaalsContact O-CB 3.27Å; R407-R411 WeakPolarHBondContact O-CB 3.02Å; R407-R411 PolarHBondContact O-N 2.86Å; R411-P413 VanDerWaalsContact C-CD 3.43Å
412	N	59.3	Low	75.6	Confident	17 Å²	17	34.5 Å²	34.5	9%	0.091	18%	0.178	C	C	.	.			trans	-126.3	42.3	-167.1	-129.5	-5.1	0	0	0	118.5	A414 Y415 A416 R574 L577	N412-A414 PolarHBondContact O-N 3.18Å; N412-Y415 VanDerWaalsContact ND2-CB 3.35Å; N412-Y415 WeakPolarHBondContact ND2-CB 3.31Å; N412-Y415 WeakPolarHBondContact ND2-CD1 3.31Å; N412-Y415 PolarHBondContact O-N 2.95Å; N412-Y415 VanDerWaalsContact O-N 3.11Å; N412-Y415 WeakPolarHBondContact OD1-CB 3.44Å; N412-A416 PolarHBondContact O-N 3.06Å; N412-A416 VanDerWaalsContact O-N 3.1Å; N412-R574 PolarHBondContact ND2-O 2.75Å; N412-L577 HydrophobicContact CB-CD2 4.14Å
413	P	54.9	Low	75.1	Confident	63 Å²	63	37.9 Å²	37.9	41%	0.409	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-38.6	169.5	26.7	-33.6	0	0	0	111.7	R411 Y415 A416 D417 N694	R411-P413 VanDerWaalsContact C-CD 3.43Å; P413-Y415 PolarHBondContact O-N 3.24Å; P413-Y415 VanDerWaalsContact O-N 3.16Å; P413-A416 WeakPolarHBondContact O-CB 3.38Å; P413-A416 PolarHBondContact O-N 3.03Å; P413-D417 WeakPolarHBondContact O-CB 3.5Å; P413-D417 PolarHBondContact O-N 3.35Å; P413-N694 WeakPolarHBondContact CA-OD1 3.46Å
414	A	51.3	Low	74.6	Confident	63 Å²	63	38.1 Å²	38.1	52%	0.521	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-18.4	178.2	0	0	0	0	0	114.7	N412 W418	N412-A414 PolarHBondContact O-N 3.18Å; A414-W418 WeakPolarHBondContact O-CB 3.17Å; A414-W418 PolarHBondContact O-N 3.31Å
415	Y	56.9	Low	74	Confident	12 Å²	12	43.4 Å²	43.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-92.3	-37.9	173	-178.2	-129.8	0	0	0	111	N412 P413 W418 T419 R428 E571 R574 Q575 Y698	N412-Y415 VanDerWaalsContact ND2-CB 3.35Å; N412-Y415 WeakPolarHBondContact ND2-CB 3.31Å; N412-Y415 WeakPolarHBondContact ND2-CD1 3.31Å; N412-Y415 PolarHBondContact O-N 2.95Å; N412-Y415 VanDerWaalsContact O-N 3.11Å; N412-Y415 WeakPolarHBondContact OD1-CB 3.44Å; P413-Y415 PolarHBondContact O-N 3.24Å; P413-Y415 VanDerWaalsContact O-N 3.16Å; Y415-W418 HydrophobicContact CD2-CD2 4.49Å; Y415-W418 AromaticContact CD2-CE3 3.55Å; Y415-W418 HydrophobicContact CD2-CE3 3.55Å; Y415-W418 AromaticContact CD2-CZ3 3.9Å; Y415-W418 HydrophobicContact CD2-CZ3 3.9Å; Y415-W418 AromaticContact CE2-CE3 3.67Å; Y415-W418 HydrophobicContact CE2-CE3 3.67Å; Y415-W418 AromaticContact CE2-CZ3 3.49Å; Y415-W418 HydrophobicContact CE2-CZ3 3.49Å; Y415-W418 VanDerWaalsContact CE2-CZ3 3.49Å; Y415-W418 PolarHBondContact O-N 3.49Å; Y415-T419 HydrophobicContact CD2-CG2 4.45Å; Y415-T419 HydrophobicContact CE2-CG2 4.29Å; Y415-T419 WeakPolarHBondContact O-CG2 3.22Å; Y415-T419 PolarHBondContact O-N 3.28Å; Y415-T419 PolarHBondContact O-OG1 3.28Å; Y415-R428 PolarHBondContact OH-NH2 2.65Å; Y415-E571 HydrophobicContact CE2-CG 4.31Å; Y415-R574 HydrophobicContact CD2-CB 3.64Å; Y415-R574 HydrophobicContact CD2-CG 4.44Å; Y415-R574 HydrophobicContact CE2-CB 4.3Å; Y415-R574 HydrophobicContact CG-CB 4.17Å; Y415-Q575 HydrophobicContact CE1-CG 4.47Å; Y415-Q575 HydrophobicContact CE2-CG 4.31Å; Y415-Q575 VanDerWaalsContact CZ-NE2 3.32Å; Y415-Q575 PolarHBondContact OH-NE2 2.96Å; Y415-Y698 AromaticContact CD1-CE1 3.8Å; Y415-Y698 HydrophobicContact CD1-CE1 3.8Å; Y415-Y698 HydrophobicContact CD1-CE2 4.13Å; Y415-Y698 AromaticContact CD1-CZ 3.41Å; Y415-Y698 VanDerWaalsContact CD1-CZ 3.41Å; Y415-Y698 WeakPolarHBondContact CD1-OH 3.48Å; Y415-Y698 AromaticContact CE1-CD1 3.9Å; Y415-Y698 HydrophobicContact CE1-CD1 3.9Å; Y415-Y698 AromaticContact CE1-CE1 3.09Å; Y415-Y698 HydrophobicContact CE1-CE1 3.09Å; Y415-Y698 HydrophobicContact CE1-CE2 4.1Å; Y415-Y698 AromaticContact CE1-CZ 3.24Å; Y415-Y698 VanDerWaalsContact CE1-OH 3.31Å; Y415-Y698 WeakPolarHBondContact CE1-OH 3.21Å; Y415-Y698 HydrophobicContact CE2-CE1 4.35Å; Y415-Y698 AromaticContact CZ-CE1 3.41Å; Y415-Y698 VanDerWaalsContact CZ-CE1 3.41Å; Y415-Y698 AromaticContact CZ-CZ 3.93Å; Y415-Y698 PolarHBondContact O-OH 3.39Å
416	A	56.1	Low	73.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.6	-55.5	168.6	0	0	0	0	0	111.5	N412 P413 W418 T419 R420 D693 N694	N412-A416 PolarHBondContact O-N 3.06Å; N412-A416 VanDerWaalsContact O-N 3.1Å; P413-A416 WeakPolarHBondContact O-CB 3.38Å; P413-A416 PolarHBondContact O-N 3.03Å; A416-W418 VanDerWaalsContact C-N 3.28Å; A416-W418 PolarHBondContact O-N 2.6Å; A416-T419 PolarHBondContact O-N 3.27Å; A416-T419 VanDerWaalsContact O-N 3.08Å; A416-T419 PolarHBondContact O-OG1 2.86Å; A416-R420 WeakPolarHBondContact O-CG 3.45Å; A416-R420 PolarHBondContact O-N 2.69Å; A416-D693 VanDerWaalsContact CB-O 3.28Å; A416-D693 WeakPolarHBondContact CB-O 3.38Å; A416-N694 WeakPolarHBondContact CB-OD1 3.34Å
417	D	63.7	Low	73.5	Confident	87 Å²	87	51 Å²	51	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-37.9	178	-65.9	-26.5	0	0	0	112.2	P413 R420 R421	P413-D417 WeakPolarHBondContact O-CB 3.5Å; P413-D417 PolarHBondContact O-N 3.35Å; D417-R420 PolarHBondContact O-N 3.03Å; D417-R420 IonicContact OD1-CZ 3.65Å; D417-R420 IonicContact OD1-NE 2.75Å; D417-R420 IonicContact OD1-NH2 2.75Å; D417-R420 PolarHBondContact OD1-NH2 3.05Å; D417-R421 PolarHBondContact O-N 2.87Å
418	W	68.1	Low	73.3	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-44.6	173.2	175.3	85.2	0	0	0	112.1	A414 Y415 A416 R420 R421 V424 L567 E570 E571 R574	A414-W418 WeakPolarHBondContact O-CB 3.17Å; A414-W418 PolarHBondContact O-N 3.31Å; Y415-W418 HydrophobicContact CD2-CD2 4.49Å; Y415-W418 AromaticContact CD2-CE3 3.55Å; Y415-W418 HydrophobicContact CD2-CE3 3.55Å; Y415-W418 AromaticContact CD2-CZ3 3.9Å; Y415-W418 HydrophobicContact CD2-CZ3 3.9Å; Y415-W418 AromaticContact CE2-CE3 3.67Å; Y415-W418 HydrophobicContact CE2-CE3 3.67Å; Y415-W418 AromaticContact CE2-CZ3 3.49Å; Y415-W418 HydrophobicContact CE2-CZ3 3.49Å; Y415-W418 VanDerWaalsContact CE2-CZ3 3.49Å; Y415-W418 PolarHBondContact O-N 3.49Å; A416-W418 VanDerWaalsContact C-N 3.28Å; A416-W418 PolarHBondContact O-N 2.6Å; W418-R420 PolarHBondContact O-N 3.42Å; W418-R421 WeakPolarHBondContact O-CB 3.19Å; W418-R421 WeakPolarHBondContact O-CG 3.45Å; W418-R421 PolarHBondContact O-N 3.06Å; W418-R421 VanDerWaalsContact O-N 3.15Å; W418-V424 HydrophobicContact CD2-CG1 4.26Å; W418-V424 HydrophobicContact CD2-CG2 4.16Å; W418-V424 HydrophobicContact CE3-CG1 4.09Å; W418-V424 HydrophobicContact CG-CG2 4.46Å; W418-V424 HydrophobicContact CH2-CG1 4.06Å; W418-V424 HydrophobicContact CZ2-CG1 4.26Å; W418-V424 HydrophobicContact CZ2-CG2 4.09Å; W418-V424 HydrophobicContact CZ3-CG1 3.97Å; W418-V424 WeakPolarHBondContact O-CB 3.48Å; W418-V424 WeakPolarHBondContact O-CG2 3.46Å; W418-L567 HydrophobicContact CH2-CD1 3.53Å; W418-L567 HydrophobicContact CH2-CG 4.28Å; W418-L567 HydrophobicContact CZ2-CD1 3.51Å; W418-L567 HydrophobicContact CZ2-CG 4.32Å; W418-L567 WeakPolarHBondContact CZ2-O 3.45Å; W418-E570 HydrophobicContact CZ2-CB 3.65Å; W418-E570 VanDerWaalsContact NE1-CD 3.3Å; W418-E570 PolarHBondContact NE1-OE1 3.18Å; W418-E570 PolarHBondContact NE1-OE2 2.88Å; W418-E571 HydrophobicContact CH2-CB 3.72Å; W418-E571 HydrophobicContact CH2-CG 4.21Å; W418-E571 HydrophobicContact CZ2-CB 4.34Å; W418-E571 HydrophobicContact CZ3-CB 4.4Å; W418-E571 HydrophobicContact CZ3-CG 4.48Å; W418-R574 VanDerWaalsContact CD1-CZ 3.41Å
419	T	66.5	Low	73.4	Confident	14 Å²	14	57.7 Å²	57.7	9%	0.086	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-23.8	174.9	56.9	0	0	0	0	114.3	Y415 A416 R421 R428 Y698	Y415-T419 HydrophobicContact CD2-CG2 4.45Å; Y415-T419 HydrophobicContact CE2-CG2 4.29Å; Y415-T419 WeakPolarHBondContact O-CG2 3.22Å; Y415-T419 PolarHBondContact O-N 3.28Å; Y415-T419 PolarHBondContact O-OG1 3.28Å; A416-T419 PolarHBondContact O-N 3.27Å; A416-T419 VanDerWaalsContact O-N 3.08Å; A416-T419 PolarHBondContact O-OG1 2.86Å; T419-R421 VanDerWaalsContact C-N 3.34Å; T419-R428 VanDerWaalsContact CG2-NH1 3.31Å; T419-Y698 HydrophobicContact CG2-CE1 3.81Å; T419-Y698 WeakPolarHBondContact CG2-OH 3.28Å; T419-Y698 PolarHBondContact OG1-OH 3.18Å
420	R	69.3	Low	73.4	Confident	136 Å²	136	60 Å²	60	51%	0.513	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.9	174.3	-70.7	-168.2	-75	-149.9	0.5	113.6	A416 D417 W418 D693	A416-R420 WeakPolarHBondContact O-CG 3.45Å; A416-R420 PolarHBondContact O-N 2.69Å; D417-R420 PolarHBondContact O-N 3.03Å; D417-R420 IonicContact OD1-CZ 3.65Å; D417-R420 IonicContact OD1-NE 2.75Å; D417-R420 IonicContact OD1-NH2 2.75Å; D417-R420 PolarHBondContact OD1-NH2 3.05Å; W418-R420 PolarHBondContact O-N 3.42Å; R420-D693 IonicContact CZ-OD1 3.21Å; R420-D693 IonicContact NH1-OD1 2.73Å; R420-D693 PolarHBondContact NH1-OD1 2.94Å; R420-D693 IonicContact NH2-OD1 2.68Å; R420-D693 PolarHBondContact NH2-OD1 3.08Å
421	R	79.6	Confident	73.7	Confident	96 Å²	96	59.8 Å²	59.8	36%	0.362	30%	0.298	S	S	.	.	S	Bend	trans	-63.4	138.4	171.6	-62.5	164.8	51.2	175	-6	109.9	D417 W418 T419 D423 V424 H425 E570	D417-R421 PolarHBondContact O-N 2.87Å; W418-R421 WeakPolarHBondContact O-CB 3.19Å; W418-R421 WeakPolarHBondContact O-CG 3.45Å; W418-R421 PolarHBondContact O-N 3.06Å; W418-R421 VanDerWaalsContact O-N 3.15Å; T419-R421 VanDerWaalsContact C-N 3.34Å; R421-D423 VanDerWaalsContact C-N 3.3Å; R421-D423 WeakPolarHBondContact CB-OD1 3.23Å; R421-D423 IonicContact CZ-OD1 3.77Å; R421-D423 IonicContact CZ-OD2 3.51Å; R421-D423 IonicContact NE-OD1 3.12Å; R421-D423 PolarHBondContact NE-OD1 3.49Å; R421-D423 VanDerWaalsContact NE-OD1 3.12Å; R421-D423 IonicContact NE-OD2 3.52Å; R421-D423 IonicContact NH2-OD1 3.67Å; R421-D423 IonicContact NH2-OD2 2.7Å; R421-D423 PolarHBondContact NH2-OD2 3.02Å; R421-D423 PolarHBondContact O-N 3.09Å; R421-V424 HydrophobicContact CB-CB 4.27Å; R421-V424 HydrophobicContact CB-CG2 4.16Å; R421-V424 PolarHBondContact O-N 2.79Å; R421-H425 WeakPolarHBondContact O-CB 3.4Å; R421-H425 PolarHBondContact O-N 2.96Å; R421-E570 IonicContact CZ-OE1 3.62Å; R421-E570 IonicContact NH1-OE1 2.79Å; R421-E570 PolarHBondContact NH1-OE1 3.22Å; R421-E570 IonicContact NH1-OE2 3.44Å; R421-E570 IonicContact NH2-OE1 3.66Å
422	A	83.9	Confident	74.6	Confident	66 Å²	66	61.3 Å²	61.3	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-34.3	-174.3	0	0	0	0	0	113.4	Q426	A422-Q426 WeakPolarHBondContact O-CB 3.46Å; A422-Q426 WeakPolarHBondContact O-CG 3.5Å; A422-Q426 PolarHBondContact O-N 2.88Å
423	D	85.9	Confident	76	Confident	71 Å²	71	65.7 Å²	65.7	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-50.6	174.4	51.7	0	0	0	0	111.7	R421 H425 Q426 L427	R421-D423 VanDerWaalsContact C-N 3.3Å; R421-D423 WeakPolarHBondContact CB-OD1 3.23Å; R421-D423 IonicContact CZ-OD1 3.77Å; R421-D423 IonicContact CZ-OD2 3.51Å; R421-D423 IonicContact NE-OD1 3.12Å; R421-D423 PolarHBondContact NE-OD1 3.49Å; R421-D423 VanDerWaalsContact NE-OD1 3.12Å; R421-D423 IonicContact NE-OD2 3.52Å; R421-D423 IonicContact NH2-OD1 3.67Å; R421-D423 IonicContact NH2-OD2 2.7Å; R421-D423 PolarHBondContact NH2-OD2 3.02Å; R421-D423 PolarHBondContact O-N 3.09Å; D423-H425 VanDerWaalsContact C-N 3.33Å; D423-H425 PolarHBondContact O-N 3.37Å; D423-Q426 PolarHBondContact O-N 3.11Å; D423-L427 WeakPolarHBondContact O-CG 3.31Å; D423-L427 PolarHBondContact O-N 3.41Å
424	V	83.4	Confident	77.6	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.5	173.3	0	0	0	0	111.5	W418 R421 L427 R428 L567	W418-V424 HydrophobicContact CD2-CG1 4.26Å; W418-V424 HydrophobicContact CD2-CG2 4.16Å; W418-V424 HydrophobicContact CE3-CG1 4.09Å; W418-V424 HydrophobicContact CG-CG2 4.46Å; W418-V424 HydrophobicContact CH2-CG1 4.06Å; W418-V424 HydrophobicContact CZ2-CG1 4.26Å; W418-V424 HydrophobicContact CZ2-CG2 4.09Å; W418-V424 HydrophobicContact CZ3-CG1 3.97Å; W418-V424 WeakPolarHBondContact O-CB 3.48Å; W418-V424 WeakPolarHBondContact O-CG2 3.46Å; R421-V424 HydrophobicContact CB-CB 4.27Å; R421-V424 HydrophobicContact CB-CG2 4.16Å; R421-V424 PolarHBondContact O-N 2.79Å; V424-L427 PolarHBondContact O-N 2.98Å; V424-R428 WeakPolarHBondContact O-CB 3.49Å; V424-R428 WeakPolarHBondContact O-CG 3.36Å; V424-R428 PolarHBondContact O-N 3.33Å; V424-L567 HydrophobicContact CB-CD1 4.1Å; V424-L567 HydrophobicContact CG1-CD1 3.68Å; V424-L567 HydrophobicContact CG2-CD1 3.92Å
425	H	80.9	Confident	79.4	Confident	119 Å²	119	66.4 Å²	66.4	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-64.1	-44.6	177	-173.8	-79.5	0	0	0	112.1	R421 D423 R428 H429	R421-H425 WeakPolarHBondContact O-CB 3.4Å; R421-H425 PolarHBondContact O-N 2.96Å; D423-H425 VanDerWaalsContact C-N 3.33Å; D423-H425 PolarHBondContact O-N 3.37Å; H425-R428 PolarHBondContact O-N 3.44Å; H425-H429 WeakPolarHBondContact O-CB 3.44Å; H425-H429 PolarHBondContact O-N 2.85Å
426	Q	87.4	Confident	80.8	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-43.5	177.4	-74.9	167.3	27.6	0	0	111.9	A422 D423 H429 L430	A422-Q426 WeakPolarHBondContact O-CB 3.46Å; A422-Q426 WeakPolarHBondContact O-CG 3.5Å; A422-Q426 PolarHBondContact O-N 2.88Å; D423-Q426 PolarHBondContact O-N 3.11Å; Q426-H429 PolarHBondContact O-N 3.4Å; Q426-L430 WeakPolarHBondContact O-CB 3.32Å; Q426-L430 PolarHBondContact O-N 3.08Å
427	L	87.4	Confident	82.3	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-38.6	177.3	-65.8	166.1	0	0	0	112.3	D423 V424 L430 I431 D563 L564 L567	D423-L427 WeakPolarHBondContact O-CG 3.31Å; D423-L427 PolarHBondContact O-N 3.41Å; V424-L427 PolarHBondContact O-N 2.98Å; L427-L430 WeakPolarHBondContact O-CB 3.45Å; L427-L430 PolarHBondContact O-N 2.87Å; L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.29Å; L427-I431 PolarHBondContact O-N 2.9Å; L427-D563 HydrophobicContact CD1-CB 4.01Å; L427-D563 HydrophobicContact CD2-CB 3.84Å; L427-L564 HydrophobicContact CD2-CD2 4.36Å; L427-L564 HydrophobicContact CD2-CG 4.5Å; L427-L567 HydrophobicContact CB-CD2 3.8Å; L427-L567 HydrophobicContact CD1-CB 4.07Å; L427-L567 HydrophobicContact CD1-CD1 4.5Å; L427-L567 HydrophobicContact CD1-CD2 4.36Å
428	R	83.5	Confident	83.4	Confident	55 Å²	55	70.3 Å²	70.3	21%	0.208	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-41.5	173.4	-79.5	-175.8	163	-158.4	-0.4	112.3	Y415 T419 V424 H425 L430 I431 Q432 E571	Y415-R428 PolarHBondContact OH-NH2 2.65Å; T419-R428 VanDerWaalsContact CG2-NH1 3.31Å; V424-R428 WeakPolarHBondContact O-CB 3.49Å; V424-R428 WeakPolarHBondContact O-CG 3.36Å; V424-R428 PolarHBondContact O-N 3.33Å; H425-R428 PolarHBondContact O-N 3.44Å; R428-L430 VanDerWaalsContact C-N 3.3Å; R428-L430 PolarHBondContact O-N 2.93Å; R428-I431 PolarHBondContact O-N 2.86Å; R428-Q432 WeakPolarHBondContact O-CG 3.18Å; R428-Q432 PolarHBondContact O-N 2.99Å; R428-E571 IonicContact CZ-OE1 3.5Å; R428-E571 IonicContact NE-OE1 3.53Å; R428-E571 IonicContact NH2-OE1 3.54Å; R428-E571 PolarHBondContact NH2-OE1 2.84Å
429	H	86.8	Confident	84.3	Confident	106 Å²	106	72 Å²	72	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-36.6	172.8	-175.2	-93.5	0	0	0	111.9	H425 Q426 Q432 N433	H425-H429 WeakPolarHBondContact O-CB 3.44Å; H425-H429 PolarHBondContact O-N 2.85Å; Q426-H429 PolarHBondContact O-N 3.4Å; H429-Q432 PolarHBondContact O-N 3.12Å; H429-N433 PolarHBondContact CE1-ND2 3.15Å; H429-N433 VanDerWaalsContact CE1-ND2 3.31Å; H429-N433 PolarHBondContact NE2-ND2 2.93Å; H429-N433 PolarHBondContact O-N 3.15Å; H429-N433 VanDerWaalsContact O-N 3.16Å; H429-N433 PolarHBondContact O-ND2 3.03Å
430	L	88.7	Confident	85.4	Confident	49 Å²	49	72.6 Å²	72.6	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-45.4	172.9	-178.8	65.5	0	0	0	112	Q426 L427 R428 Q432 N433 N434 A437 V560	Q426-L430 WeakPolarHBondContact O-CB 3.32Å; Q426-L430 PolarHBondContact O-N 3.08Å; L427-L430 WeakPolarHBondContact O-CB 3.45Å; L427-L430 PolarHBondContact O-N 2.87Å; R428-L430 VanDerWaalsContact C-N 3.3Å; R428-L430 PolarHBondContact O-N 2.93Å; L430-Q432 PolarHBondContact O-N 2.91Å; L430-N433 PolarHBondContact O-N 3.19Å; L430-N434 HydrophobicContact CD1-CB 3.81Å; L430-N434 HydrophobicContact CG-CB 4.41Å; L430-N434 VanDerWaalsContact O-CB 3.31Å; L430-N434 WeakPolarHBondContact O-CB 3.23Å; L430-N434 PolarHBondContact O-N 3.43Å; L430-A437 HydrophobicContact CD2-CB 4.39Å; L430-A437 HydrophobicContact CG-CB 3.97Å; L430-V560 HydrophobicContact CD2-CG1 3.54Å
431	I	87.5	Confident	86.2	Confident	25 Å²	25	67.2 Å²	67.2	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-36.3	176.4	-69.5	161.4	0	0	0	111.6	L427 R428 Q438 Y441 L564 L567	L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.29Å; L427-I431 PolarHBondContact O-N 2.9Å; R428-I431 PolarHBondContact O-N 2.86Å; I431-Q438 HydrophobicContact CG2-CG 4.45Å; I431-Y441 HydrophobicContact CD1-CD1 3.99Å; I431-Y441 HydrophobicContact CD1-CD2 3.66Å; I431-Y441 HydrophobicContact CD1-CE1 4.27Å; I431-Y441 HydrophobicContact CD1-CE2 3.96Å; I431-Y441 HydrophobicContact CD1-CG 3.68Å; I431-Y441 HydrophobicContact CG1-CD2 4.48Å; I431-Y441 HydrophobicContact CG1-CG 4.25Å; I431-L564 HydrophobicContact CD1-CD2 3.65Å; I431-L564 HydrophobicContact CG1-CD2 3.6Å; I431-L567 HydrophobicContact CD1-CD2 3.76Å
432	Q	85.5	Confident	86.3	Confident	142 Å²	142	66.1 Å²	66.1	66%	0.664	35%	0.348	S	S	*	.	H	α-helix	trans	-72.6	-35.5	178.4	-72.9	171.8	-11	0	0	113.4	R428 H429 L430	R428-Q432 WeakPolarHBondContact O-CG 3.18Å; R428-Q432 PolarHBondContact O-N 2.99Å; H429-Q432 PolarHBondContact O-N 3.12Å; L430-Q432 PolarHBondContact O-N 2.91Å
433	N	88.4	Confident	86.4	Confident	109 Å²	109	64.8 Å²	64.8	58%	0.583	33%	0.33	S	S	*	.	H	α-helix	trans	-102.2	-13.7	-172.2	-70.2	-80.3	0	0	0	114.6	H429 L430	H429-N433 PolarHBondContact CE1-ND2 3.15Å; H429-N433 VanDerWaalsContact CE1-ND2 3.31Å; H429-N433 PolarHBondContact NE2-ND2 2.93Å; H429-N433 PolarHBondContact O-N 3.15Å; H429-N433 VanDerWaalsContact O-N 3.16Å; H429-N433 PolarHBondContact O-ND2 3.03Å; L430-N433 PolarHBondContact O-N 3.19Å
434	N	89.1	Confident	86.1	Confident	45 Å²	45	62 Å²	62	24%	0.241	32%	0.316	C	S	.	.			trans	-120.1	107.1	-177.8	-177.4	-19.9	0	0	0	111.1	L430 L436 A437 Q438	L430-N434 HydrophobicContact CD1-CB 3.81Å; L430-N434 HydrophobicContact CG-CB 4.41Å; L430-N434 VanDerWaalsContact O-CB 3.31Å; L430-N434 WeakPolarHBondContact O-CB 3.23Å; L430-N434 PolarHBondContact O-N 3.43Å; N434-L436 PolarHBondContact O-N 3.22Å; N434-L436 WeakPolarHBondContact OD1-CB 3.37Å; N434-L436 PolarHBondContact OD1-N 3.04Å; N434-A437 HydrophobicContact CB-CB 3.92Å; N434-A437 WeakPolarHBondContact O-CB 3.46Å; N434-A437 PolarHBondContact O-N 3.46Å; N434-A437 PolarHBondContact OD1-N 3.05Å; N434-Q438 PolarHBondContact O-N 2.85Å
435	P	87.9	Confident	85.4	Confident	96 Å²	96	69.7 Å²	69.7	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-58	-29.5	178.9	-27.9	36.2	0	0	0	114.9	A439	P435-A439 VanDerWaalsContact O-CB 3.29Å; P435-A439 WeakPolarHBondContact O-CB 3.36Å; P435-A439 PolarHBondContact O-N 2.89Å
436	L	87.7	Confident	84.7	Confident	74 Å²	74	68.5 Å²	68.5	39%	0.387	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-41.8	174	-63.6	176.7	0	0	0	110.9	N434 Q438 A439 Y440 L556	N434-L436 PolarHBondContact O-N 3.22Å; N434-L436 WeakPolarHBondContact OD1-CB 3.37Å; N434-L436 PolarHBondContact OD1-N 3.04Å; L436-Q438 VanDerWaalsContact C-N 3.33Å; L436-A439 PolarHBondContact O-N 3.07Å; L436-Y440 WeakPolarHBondContact O-CB 3.44Å; L436-Y440 PolarHBondContact O-N 3.11Å; L436-L556 HydrophobicContact CB-CD1 4.16Å; L436-L556 HydrophobicContact CB-CD2 4.44Å; L436-L556 HydrophobicContact CB-CG 4.07Å
437	A	87.4	Confident	83.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-39.5	175.5	0	0	0	0	0	111.2	L430 N434 Y440 Y441 L556 L564	L430-A437 HydrophobicContact CD2-CB 4.39Å; L430-A437 HydrophobicContact CG-CB 3.97Å; N434-A437 HydrophobicContact CB-CB 3.92Å; N434-A437 WeakPolarHBondContact O-CB 3.46Å; N434-A437 PolarHBondContact O-N 3.46Å; N434-A437 PolarHBondContact OD1-N 3.05Å; A437-Y440 PolarHBondContact O-N 2.76Å; A437-Y441 VanDerWaalsContact O-CB 3.29Å; A437-Y441 WeakPolarHBondContact O-CB 3.13Å; A437-Y441 PolarHBondContact O-N 3.07Å; A437-L556 HydrophobicContact CB-CD2 4.25Å; A437-L564 HydrophobicContact CB-CD1 4.16Å
438	Q	87.2	Confident	81.7	Confident	106 Å²	106	68.4 Å²	68.4	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-45	173.2	-161.6	-175.7	25.3	0	0	112.1	I431 N434 L436 T442	I431-Q438 HydrophobicContact CG2-CG 4.45Å; N434-Q438 PolarHBondContact O-N 2.85Å; L436-Q438 VanDerWaalsContact C-N 3.33Å; Q438-T442 WeakPolarHBondContact O-CB 3.46Å; Q438-T442 WeakPolarHBondContact O-CG2 3.49Å; Q438-T442 PolarHBondContact O-N 3.4Å; Q438-T442 PolarHBondContact O-OG1 2.94Å
439	A	87	Confident	80	Confident	40 Å²	40	69 Å²	69	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-39.6	176	0	0	0	0	0	112.1	P435 L436 T442 H443 F553	P435-A439 VanDerWaalsContact O-CB 3.29Å; P435-A439 WeakPolarHBondContact O-CB 3.36Å; P435-A439 PolarHBondContact O-N 2.89Å; L436-A439 PolarHBondContact O-N 3.07Å; A439-T442 WeakPolarHBondContact CA-OG1 3.3Å; A439-T442 PolarHBondContact O-OG1 3.48Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å; A439-H443 VanDerWaalsContact O-CB 3.23Å; A439-H443 WeakPolarHBondContact O-CB 3.36Å; A439-H443 PolarHBondContact O-N 3.46Å; A439-F553 HydrophobicContact CB-CE1 4.01Å
440	Y	90	Very high	77.7	Confident	28 Å²	28	69.2 Å²	69.2	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-50.9	175.6	-163.7	-106.1	0	0	0	111.3	L436 A437 T442 H443 C444 F553 L556 K561 L564 E565	L436-Y440 WeakPolarHBondContact O-CB 3.44Å; L436-Y440 PolarHBondContact O-N 3.11Å; A437-Y440 PolarHBondContact O-N 2.76Å; Y440-T442 PolarHBondContact O-N 2.97Å; Y440-H443 WeakPolarHBondContact O-CB 3.42Å; Y440-H443 PolarHBondContact O-N 3.11Å; Y440-H443 VanDerWaalsContact O-N 3.07Å; Y440-C444 PolarHBondContact O-N 3.18Å; Y440-C444 PolarHBondContact O-SG 2.9Å; Y440-F553 HydrophobicContact CD2-CB 3.92Å; Y440-F553 AromaticContact CD2-CD1 3.69Å; Y440-F553 HydrophobicContact CD2-CD1 3.69Å; Y440-F553 AromaticContact CD2-CD2 3.65Å; Y440-F553 HydrophobicContact CD2-CD2 3.65Å; Y440-F553 HydrophobicContact CD2-CE1 4.01Å; Y440-F553 AromaticContact CD2-CE2 3.96Å; Y440-F553 HydrophobicContact CD2-CE2 3.96Å; Y440-F553 AromaticContact CD2-CG 3.48Å; Y440-F553 HydrophobicContact CD2-CG 3.48Å; Y440-F553 VanDerWaalsContact CD2-CG 3.48Å; Y440-F553 HydrophobicContact CD2-CZ 4.12Å; Y440-F553 HydrophobicContact CE2-CB 4.24Å; Y440-F553 AromaticContact CE2-CD2 3.92Å; Y440-F553 HydrophobicContact CE2-CD2 3.92Å; Y440-F553 HydrophobicContact CE2-CE2 4.4Å; Y440-F553 HydrophobicContact CE2-CG 4.05Å; Y440-F553 HydrophobicContact CG-CD1 4.41Å; Y440-L556 HydrophobicContact CD2-CD1 4.49Å; Y440-L556 HydrophobicContact CG-CD1 4.09Å; Y440-K561 HydrophobicContact CD1-CG 4.29Å; Y440-K561 HydrophobicContact CE1-CB 3.71Å; Y440-K561 HydrophobicContact CE1-CG 3.8Å; Y440-K561 HydrophobicContact CE2-CD 4.21Å; Y440-K561 HydrophobicContact CE2-CG 4.07Å; Y440-L564 HydrophobicContact CD1-CB 4.25Å; Y440-L564 HydrophobicContact CD1-CD1 4.07Å; Y440-E565 HydrophobicContact CE1-CG 4.17Å; Y440-E565 PolarHBondContact OH-OE1 3.24Å
441	Y	85.2	Confident	75.6	Confident	22 Å²	22	71 Å²	71	9%	0.086	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-35	-178.8	-164.7	-104.5	0	0	0	112.8	I431 A437 L564 L567 R568 E571	I431-Y441 HydrophobicContact CD1-CD1 3.99Å; I431-Y441 HydrophobicContact CD1-CD2 3.66Å; I431-Y441 HydrophobicContact CD1-CE1 4.27Å; I431-Y441 HydrophobicContact CD1-CE2 3.96Å; I431-Y441 HydrophobicContact CD1-CG 3.68Å; I431-Y441 HydrophobicContact CG1-CD2 4.48Å; I431-Y441 HydrophobicContact CG1-CG 4.25Å; A437-Y441 VanDerWaalsContact O-CB 3.29Å; A437-Y441 WeakPolarHBondContact O-CB 3.13Å; A437-Y441 PolarHBondContact O-N 3.07Å; Y441-L564 HydrophobicContact CD2-CB 4.37Å; Y441-L564 HydrophobicContact CD2-CD2 4.07Å; Y441-L567 HydrophobicContact CD2-CD2 4.42Å; Y441-L567 HydrophobicContact CE2-CD2 3.7Å; Y441-L567 HydrophobicContact CE2-CG 4.13Å; Y441-R568 HydrophobicContact CD2-CB 4.36Å; Y441-R568 HydrophobicContact CE2-CB 3.65Å; Y441-R568 HydrophobicContact CE2-CG 4.29Å; Y441-R568 PolarHBondContact O-NH1 3.48Å; Y441-E571 PolarHBondContact OH-OE2 3.11Å
442	T	82.5	Confident	73.4	Confident	73 Å²	73	73.2 Å²	73.2	45%	0.448	38%	0.376	S	S	.	.	H	α-helix	trans	-79	-34.4	174.1	52.3	0	0	0	0	113.2	Q438 A439 Y440 R445	Q438-T442 WeakPolarHBondContact O-CB 3.46Å; Q438-T442 WeakPolarHBondContact O-CG2 3.49Å; Q438-T442 PolarHBondContact O-N 3.4Å; Q438-T442 PolarHBondContact O-OG1 2.94Å; A439-T442 WeakPolarHBondContact CA-OG1 3.3Å; A439-T442 PolarHBondContact O-OG1 3.48Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å; Y440-T442 PolarHBondContact O-N 2.97Å; T442-R445 WeakPolarHBondContact O-CB 3.38Å; T442-R445 PolarHBondContact O-N 3.3Å
443	H	84.9	Confident	71.2	Confident	39 Å²	39	71.3 Å²	71.3	18%	0.181	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-42.4	172.4	-179.6	73.3	0	0	0	112.4	A439 Y440 R445 N446 Q447 E549 F553	A439-H443 VanDerWaalsContact O-CB 3.23Å; A439-H443 WeakPolarHBondContact O-CB 3.36Å; A439-H443 PolarHBondContact O-N 3.46Å; Y440-H443 WeakPolarHBondContact O-CB 3.42Å; Y440-H443 PolarHBondContact O-N 3.11Å; Y440-H443 VanDerWaalsContact O-N 3.07Å; H443-R445 PolarHBondContact O-N 3.39Å; H443-R445 VanDerWaalsContact O-N 3.15Å; H443-N446 PolarHBondContact O-N 3.01Å; H443-Q447 PolarHBondContact NE2-NE2 3Å; H443-Q447 PolarHBondContact O-N 3.11Å; H443-Q447 VanDerWaalsContact O-N 3.09Å; H443-E549 IonicContact CE1-OE1 3.92Å; H443-E549 PolarHBondContact CE1-OE1 2.74Å; H443-E549 IonicContact CE1-OE2 3.66Å; H443-E549 PolarHBondContact CE1-OE2 3.39Å; H443-E549 IonicContact NE2-OE2 2.75Å; H443-E549 PolarHBondContact NE2-OE2 2.86Å; H443-F553 HydrophobicContact CB-CE2 4.2Å; H443-F553 HydrophobicContact CB-CZ 3.7Å; H443-F553 AromaticContact CD2-CE2 3.61Å; H443-F553 AromaticContact CG-CE2 3.86Å; H443-F553 AromaticContact CG-CZ 3.82Å
444	C	79.2	Confident	68.8	Low	12 Å²	12	71.3 Å²	71.3	8%	0.081	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-23.2	176	-62.9	0	0	0	0	113.2	Y440 R568	Y440-C444 PolarHBondContact O-N 3.18Å; Y440-C444 PolarHBondContact O-SG 2.9Å; C444-R568 VanDerWaalsContact CB-CD 3.47Å
445	R	69.9	Low	66.4	Low	165 Å²	165	76 Å²	76	62%	0.623	39%	0.388	S	S	*	.	H	α-helix	trans	-66.2	-41.3	170.4	-165.3	172.9	-172.9	162.1	3.8	111.5	T442 H443 R568	T442-R445 WeakPolarHBondContact O-CB 3.38Å; T442-R445 PolarHBondContact O-N 3.3Å; H443-R445 PolarHBondContact O-N 3.39Å; H443-R445 VanDerWaalsContact O-N 3.15Å; R445-R568 VanDerWaalsContact CB-CZ 3.48Å; R445-R568 VanDerWaalsContact N-NE 3.2Å
446	N	64.8	Low	64.1	Low	95 Å²	95	75.7 Å²	75.7	51%	0.508	38%	0.382	S	S	.	.	H	α-helix	trans	-83.5	-31.6	-170.4	-62.2	-25.3	0	0	0	112.3	H443 K448 S449 K450	H443-N446 PolarHBondContact O-N 3.01Å; N446-K448 PolarHBondContact O-N 3.4Å; N446-S449 PolarHBondContact O-N 2.9Å; N446-K450 PolarHBondContact O-N 2.99Å
447	Q	60	Low	61.8	Low	71 Å²	71	76.7 Å²	76.7	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.4	-77.7	-166.3	-18.1	0	0	112.5	H443 S449 K450 I451 E549	H443-Q447 PolarHBondContact NE2-NE2 3Å; H443-Q447 PolarHBondContact O-N 3.11Å; H443-Q447 VanDerWaalsContact O-N 3.09Å; Q447-S449 VanDerWaalsContact C-N 3.33Å; Q447-S449 PolarHBondContact O-N 3.31Å; Q447-K450 WeakPolarHBondContact O-CB 3.31Å; Q447-K450 PolarHBondContact O-N 3.46Å; Q447-I451 WeakPolarHBondContact O-CG1 3.43Å; Q447-I451 PolarHBondContact O-N 2.91Å; Q447-E549 PolarHBondContact NE2-OE2 2.96Å
448	K	53.6	Low	59.5	Low	84 Å²	84	79.1 Å²	79.1	37%	0.365	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-36.8	175.9	-79.7	-173.1	-175	174.5	0	112.9	N446 K450 I451 T452 E572	N446-K448 PolarHBondContact O-N 3.4Å; K448-K450 VanDerWaalsContact C-N 3.27Å; K448-K450 PolarHBondContact O-N 2.94Å; K448-I451 PolarHBondContact O-N 2.87Å; K448-T452 PolarHBondContact O-N 3.34Å; K448-T452 PolarHBondContact O-OG1 3.02Å; K448-E572 WeakPolarHBondContact CD-OE2 3.26Å; K448-E572 IonicContact NZ-OE2 2.64Å; K448-E572 PolarHBondContact NZ-OE2 2.84Å
449	S	46.7	Very low	57.3	Low	67 Å²	67	82.7 Å²	82.7	47%	0.469	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-24.9	173.2	-63.6	0	0	0	0	113.7	N446 Q447 N453	N446-S449 PolarHBondContact O-N 2.9Å; Q447-S449 VanDerWaalsContact C-N 3.33Å; Q447-S449 PolarHBondContact O-N 3.31Å; S449-N453 PolarHBondContact O-ND2 3.2Å
450	K	38.2	Very low	55.3	Low	112 Å²	112	83.5 Å²	83.5	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-73.1	-40.2	166.8	-62.4	179.6	-176.8	176.1	0	111	N446 Q447 K448 N454 E549	N446-K450 PolarHBondContact O-N 2.99Å; Q447-K450 WeakPolarHBondContact O-CB 3.31Å; Q447-K450 PolarHBondContact O-N 3.46Å; K448-K450 VanDerWaalsContact C-N 3.27Å; K448-K450 PolarHBondContact O-N 2.94Å; K450-N454 WeakPolarHBondContact O-CB 3.39Å; K450-N454 PolarHBondContact O-N 2.85Å; K450-N454 VanDerWaalsContact O-N 3.07Å; K450-E549 IonicContact NZ-OE1 3.27Å; K450-E549 PolarHBondContact NZ-OE1 3.29Å
451	I	44.5	Very low	53.2	Low	85 Å²	85	90.8 Å²	90.8	44%	0.436	45%	0.447	S	S	.	.	H	α-helix	trans	-73.3	-39	-174.9	-65	165	0	0	0	113	Q447 K448 N454 K455	Q447-I451 WeakPolarHBondContact O-CG1 3.43Å; Q447-I451 PolarHBondContact O-N 2.91Å; K448-I451 PolarHBondContact O-N 2.87Å; I451-N454 PolarHBondContact O-N 2.86Å; I451-K455 HydrophobicContact CG2-CD 4.36Å; I451-K455 WeakPolarHBondContact O-CG 3.17Å; I451-K455 PolarHBondContact O-N 3.03Å
452	T	41.9	Very low	51	Low	73 Å²	73	94.8 Å²	94.8	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-54.1	175.3	50.8	0	0	0	0	110.6	K448 N454 K455 D456	K448-T452 PolarHBondContact O-N 3.34Å; K448-T452 PolarHBondContact O-OG1 3.02Å; T452-N454 PolarHBondContact O-N 2.93Å; T452-N454 VanDerWaalsContact O-N 3.13Å; T452-K455 CarbonylContact O-C 3.11Å; T452-K455 WeakPolarHBondContact O-CA 3.15Å; T452-K455 PolarHBondContact O-N 3.34Å; T452-D456 PolarHBondContact O-N 3.46Å
453	N	38.5	Very low	49.2	Very low	101 Å²	101	96.5 Å²	96.5	54%	0.54	48%	0.476	S	S	.	.	H	α-helix	trans	-53.5	-36.7	175	-79	-57.1	0	0	0	112.8	S449 N457	S449-N453 PolarHBondContact O-ND2 3.2Å; N453-N457 VanDerWaalsContact O-CB 3.3Å; N453-N457 WeakPolarHBondContact O-CB 3.27Å; N453-N457 PolarHBondContact O-N 3.39Å; N453-N457 PolarHBondContact O-ND2 3.45Å
454	N	38.5	Very low	47.5	Very low	110 Å²	110	100.4 Å²	100.4	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-73.4	-35	173.9	-83	-15	0	0	0	113.8	K450 I451 T452 A458	K450-N454 WeakPolarHBondContact O-CB 3.39Å; K450-N454 PolarHBondContact O-N 2.85Å; K450-N454 VanDerWaalsContact O-N 3.07Å; I451-N454 PolarHBondContact O-N 2.86Å; T452-N454 PolarHBondContact O-N 2.93Å; T452-N454 VanDerWaalsContact O-N 3.13Å; N454-A458 VanDerWaalsContact O-CB 3.27Å; N454-A458 WeakPolarHBondContact O-CB 3.44Å; N454-A458 PolarHBondContact O-N 2.76Å
455	K	38.9	Very low	45.8	Very low	142 Å²	142	104.5 Å²	104.5	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-69	-36.2	173.5	-78.4	-176.8	177.1	-177.2	0	112.4	I451 T452 A458 R459	I451-K455 HydrophobicContact CG2-CD 4.36Å; I451-K455 WeakPolarHBondContact O-CG 3.17Å; I451-K455 PolarHBondContact O-N 3.03Å; T452-K455 CarbonylContact O-C 3.11Å; T452-K455 WeakPolarHBondContact O-CA 3.15Å; T452-K455 PolarHBondContact O-N 3.34Å; K455-A458 PolarHBondContact O-N 3.24Å; K455-R459 PolarHBondContact O-N 2.85Å
456	D	39.4	Very low	44.5	Very low	90 Å²	90	100.8 Å²	100.8	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-76.1	-36.7	178.2	-61.9	-39.9	0	0	0	111.4	T452 A458 R459 S460	T452-D456 PolarHBondContact O-N 3.46Å; D456-A458 VanDerWaalsContact C-N 3.32Å; D456-A458 PolarHBondContact O-N 3.29Å; D456-R459 PolarHBondContact O-N 3.35Å; D456-S460 VanDerWaalsContact O-CB 3.29Å; D456-S460 WeakPolarHBondContact O-CB 3.45Å; D456-S460 PolarHBondContact O-N 3.47Å
457	N	40.3	Very low	43.5	Very low	96 Å²	96	100.7 Å²	100.7	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-37.1	165.6	-81.8	-50.2	0	0	0	112.5	N453 R461	N453-N457 VanDerWaalsContact O-CB 3.3Å; N453-N457 WeakPolarHBondContact O-CB 3.27Å; N453-N457 PolarHBondContact O-N 3.39Å; N453-N457 PolarHBondContact O-ND2 3.45Å; N457-R461 WeakPolarHBondContact O-CB 3.43Å; N457-R461 WeakPolarHBondContact O-CG 3.45Å; N457-R461 PolarHBondContact O-N 2.84Å
458	A	38.9	Very low	42.7	Very low	50 Å²	50	100.4 Å²	100.4	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-40.6	175.4	0	0	0	0	0	112.3	N454 K455 D456 R461 L462	N454-A458 VanDerWaalsContact O-CB 3.27Å; N454-A458 WeakPolarHBondContact O-CB 3.44Å; N454-A458 PolarHBondContact O-N 2.76Å; K455-A458 PolarHBondContact O-N 3.24Å; D456-A458 VanDerWaalsContact C-N 3.32Å; D456-A458 PolarHBondContact O-N 3.29Å; A458-R461 PolarHBondContact O-N 3.37Å; A458-L462 WeakPolarHBondContact O-CB 3.4Å; A458-L462 PolarHBondContact O-N 2.99Å
459	R	40.5	Very low	42	Very low	181 Å²	181	101.8 Å²	101.8	68%	0.683	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-42.7	171.6	-97.4	-179.2	162.3	177.4	-7.2	112.1	K455 D456 L462 N463	K455-R459 PolarHBondContact O-N 2.85Å; D456-R459 PolarHBondContact O-N 3.35Å; R459-L462 PolarHBondContact O-N 2.87Å; R459-N463 WeakPolarHBondContact O-CB 3.42Å; R459-N463 PolarHBondContact O-N 2.74Å; R459-N463 PolarHBondContact O-OD1 3.09Å
460	S	44.9	Very low	41.5	Very low	58 Å²	58	102.9 Å²	102.9	41%	0.406	54%	0.538	S	S	.	.	H	α-helix	trans	-59.9	-46.2	175.1	-175.8	0	0	0	0	111.4	D456 N463 Q464	D456-S460 VanDerWaalsContact O-CB 3.29Å; D456-S460 WeakPolarHBondContact O-CB 3.45Å; D456-S460 PolarHBondContact O-N 3.47Å; S460-N463 PolarHBondContact O-N 3.41Å; S460-Q464 WeakPolarHBondContact O-CG 3.18Å; S460-Q464 PolarHBondContact O-N 3.33Å
461	R	46.3	Very low	41.2	Very low	180 Å²	180	104.2 Å²	104.2	68%	0.679	55%	0.55	S	S	*	*	H	α-helix	trans	-63.5	-40.5	173	-79.3	-178.4	164	-170	-5.1	113.3	N457 A458 Q464 I465	N457-R461 WeakPolarHBondContact O-CB 3.43Å; N457-R461 WeakPolarHBondContact O-CG 3.45Å; N457-R461 PolarHBondContact O-N 2.84Å; A458-R461 PolarHBondContact O-N 3.37Å; R461-Q464 PolarHBondContact O-N 3.3Å; R461-I465 WeakPolarHBondContact O-CB 3.34Å; R461-I465 WeakPolarHBondContact O-CD1 3.18Å; R461-I465 VanDerWaalsContact O-CG1 3.25Å; R461-I465 WeakPolarHBondContact O-CG1 3.37Å; R461-I465 PolarHBondContact O-N 3.37Å
462	L	39.4	Very low	40.6	Very low	106 Å²	106	107.7 Å²	107.7	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-62.9	-44	175	-98.7	162.4	0	0	0	111.7	A458 R459 Q464 I465 V466	A458-L462 WeakPolarHBondContact O-CB 3.4Å; A458-L462 PolarHBondContact O-N 2.99Å; R459-L462 PolarHBondContact O-N 2.87Å; L462-Q464 PolarHBondContact O-N 2.89Å; L462-I465 PolarHBondContact O-N 3.27Å; L462-I465 VanDerWaalsContact O-N 3.16Å; L462-V466 WeakPolarHBondContact O-CG2 3.45Å; L462-V466 PolarHBondContact O-N 3.35Å
463	N	44.8	Very low	40.1	Very low	110 Å²	110	109.1 Å²	109.1	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-64.5	-39.4	176.8	-72.9	5.2	0	0	0	111.6	R459 S460 I465 V466 T467	R459-N463 WeakPolarHBondContact O-CB 3.42Å; R459-N463 PolarHBondContact O-N 2.74Å; R459-N463 PolarHBondContact O-OD1 3.09Å; S460-N463 PolarHBondContact O-N 3.41Å; N463-I465 VanDerWaalsContact C-N 3.35Å; N463-V466 PolarHBondContact O-N 3.16Å; N463-T467 PolarHBondContact O-N 3.24Å; N463-T467 PolarHBondContact O-OG1 2.69Å; N463-T467 VanDerWaalsContact O-OG1 3.1Å
464	Q	48.4	Very low	39.5	Very low	120 Å²	120	115.9 Å²	115.9	56%	0.561	60%	0.6	S	S	*	*	H	α-helix	trans	-63.5	-36.9	171.9	-73.6	175.5	-2.4	0	0	112.7	S460 R461 L462 T467 A468	S460-Q464 WeakPolarHBondContact O-CG 3.18Å; S460-Q464 PolarHBondContact O-N 3.33Å; R461-Q464 PolarHBondContact O-N 3.3Å; L462-Q464 PolarHBondContact O-N 2.89Å; Q464-T467 PolarHBondContact O-OG1 2.87Å; Q464-A468 WeakPolarHBondContact O-CB 3.43Å; Q464-A468 PolarHBondContact O-N 3.34Å
465	I	44.3	Very low	39	Very low	98 Å²	98	115.8 Å²	115.8	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-70.2	-35	174.6	-70.3	163.6	0	0	0	110.8	R461 L462 N463 N469	R461-I465 WeakPolarHBondContact O-CB 3.34Å; R461-I465 WeakPolarHBondContact O-CD1 3.18Å; R461-I465 VanDerWaalsContact O-CG1 3.25Å; R461-I465 WeakPolarHBondContact O-CG1 3.37Å; R461-I465 PolarHBondContact O-N 3.37Å; L462-I465 PolarHBondContact O-N 3.27Å; L462-I465 VanDerWaalsContact O-N 3.16Å; N463-I465 VanDerWaalsContact C-N 3.35Å; I465-N469 PolarHBondContact O-N 2.92Å; I465-N469 PolarHBondContact O-ND2 2.84Å
466	V	41.4	Very low	38.6	Very low	88 Å²	88	113.4 Å²	113.4	53%	0.533	61%	0.606	S	S	.	*	H	α-helix	trans	-68.7	-46.6	175.9	170.2	0	0	0	0	111.1	L462 N463 N469 T470	L462-V466 WeakPolarHBondContact O-CG2 3.45Å; L462-V466 PolarHBondContact O-N 3.35Å; N463-V466 PolarHBondContact O-N 3.16Å; V466-N469 PolarHBondContact O-N 2.79Å; V466-T470 PolarHBondContact O-N 3.02Å
467	T	45	Very low	38.2	Very low	92 Å²	92	118.9 Å²	118.9	56%	0.564	62%	0.621	S	S	*	*	H	α-helix	trans	-70.8	-30.1	177.1	50.2	0	0	0	0	113.5	N463 Q464 N469 T470	N463-T467 PolarHBondContact O-N 3.24Å; N463-T467 PolarHBondContact O-OG1 2.69Å; N463-T467 VanDerWaalsContact O-OG1 3.1Å; Q464-T467 PolarHBondContact O-OG1 2.87Å; T467-N469 PolarHBondContact O-N 2.86Å; T467-T470 WeakPolarHBondContact CA-OG1 3.29Å; T467-T470 PolarHBondContact O-N 3.05Å; T467-T470 PolarHBondContact O-OG1 2.95Å
468	A	42.1	Very low	37.6	Very low	65 Å²	65	120.9 Å²	120.9	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-71.9	-13.4	173	0	0	0	0	0	114.1	Q464	Q464-A468 WeakPolarHBondContact O-CB 3.43Å; Q464-A468 PolarHBondContact O-N 3.34Å
469	N	39	Very low	37.1	Very low	113 Å²	113	125.8 Å²	125.8	60%	0.604	65%	0.65	S	S	*	*	H	α-helix	trans	-100.9	-7.4	175.8	-79.7	-74	0	0	0	113.7	I465 V466 T467 D471	I465-N469 PolarHBondContact O-N 2.92Å; I465-N469 PolarHBondContact O-ND2 2.84Å; V466-N469 PolarHBondContact O-N 2.79Å; T467-N469 PolarHBondContact O-N 2.86Å; N469-D471 VanDerWaalsContact C-N 3.3Å; N469-D471 PolarHBondContact O-N 2.92Å
470	T	35.8	Very low	36.7	Very low	91 Å²	91	122.7 Å²	122.7	56%	0.558	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-77.3	-8.9	176.3	37.8	0	0	0	0	114.7	V466 T467 L472	V466-T470 PolarHBondContact O-N 3.02Å; T467-T470 WeakPolarHBondContact CA-OG1 3.29Å; T467-T470 PolarHBondContact O-N 3.05Å; T467-T470 PolarHBondContact O-OG1 2.95Å; T470-L472 VanDerWaalsContact C-N 3.26Å; T470-L472 PolarHBondContact O-N 2.91Å
471	D	33.5	Very low	36.1	Very low	140 Å²	140	123.8 Å²	123.8	75%	0.749	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-79.2	1.4	176.3	-74.7	-37.8	0	0	0	114.4	N469	N469-D471 VanDerWaalsContact C-N 3.3Å; N469-D471 PolarHBondContact O-N 2.92Å
472	L	30.7	Very low	35.4	Very low	157 Å²	157	121 Å²	121	82%	0.822	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-118.8	35.2	-177.4	-87.9	90.8	0	0	0	115.3	T470	T470-L472 VanDerWaalsContact C-N 3.26Å; T470-L472 PolarHBondContact O-N 2.91Å
473	S	31.9	Very low	35	Very low	104 Å²	104	122.5 Å²	122.5	73%	0.727	68%	0.68	S	S	*	*			trans	-140.6	74.3	166.8	58.8	0	0	0	0	112.8
474	R	25.3	Very low	34.3	Very low	242 Å²	242	121.9 Å²	121.9	91%	0.913	69%	0.685	S	S	*	*			trans	-89.9	152.2	176.9	-167.5	175.7	-174.3	171.5	2.8	111.2
475	S	28.6	Very low	33.3	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	69%	0.689	S	S	*	*			trans	75.9	144.3	-179.1	86	0	0	0	0	113.9
476	T	30.6	Very low	32.5	Very low	93 Å²	93	122.2 Å²	122.2	57%	0.571	70%	0.698	S	S	*	*			cis	-145.7	157.3	13.2	43.9	0	0	0	0	112.7
477	Y	30.4	Very low	31.9	Very low	204 Å²	204	125.6 Å²	125.6	80%	0.8	71%	0.706	S	S	*	*			trans	71.6	151.1	163.2	-45.3	-59.5	0	0	0	118.9
478	D	27.4	Very low	31	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	71%	0.714	S	S	*	*			cis	-173.4	159.6	-46.6	-117.5	-48.3	0	0	0	110.6
479	L	29.7	Very low	30.1	Very low	152 Å²	152	130.4 Å²	130.4	80%	0.796	72%	0.721	S	S	*	*			trans	97.3	111.7	162.6	-65.8	157.7	0	0	0	121.7
480	S	31.5	Very low	29.5	Very low	117 Å²	117	134 Å²	134	82%	0.818	73%	0.731	S	S	*	*			trans	67	134.7	147.5	59.3	0	0	0	0	120
481	A	31.9	Very low	28.9	Very low	81 Å²	81	137 Å²	137	67%	0.669	74%	0.739	S	S	*	*			cis	-161.1	152.1	-7.6	0	0	0	0	0	112.5
482	T	31.1	Very low	28.7	Very low	122 Å²	122	136.7 Å²	136.7	75%	0.748	74%	0.744	S	S	*	*			trans	43.7	128.2	149.3	57.2	0	0	0	0	119.9
483	N	32	Very low	28.3	Very low	136 Å²	136	137.3 Å²	137.3	73%	0.727	74%	0.74	S	S	*	*			cis	-155	143.1	10.3	-91.6	-15.6	0	0	0	108.6
484	S	29.3	Very low	28	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	75%	0.747	S	S	*	*				57	128.1	98.3	107.4	0	0	0	0	114.6
485	C	27.3	Very low	28	Very low	97 Å²	97	135.3 Å²	135.3	66%	0.655	74%	0.735	S	S	*	*			cis	-163.2	152.2	9.7	-106	0	0	0	0	111
486	D	28.8	Very low	28	Very low	128 Å²	128	137 Å²	137	68%	0.684	73%	0.731	S	S	*	*			trans	52.6	151.7	131	-48.4	-21.4	0	0	0	122
487	F	27.9	Very low	27.7	Very low	160 Å²	160	140.2 Å²	140.2	70%	0.702	74%	0.737	S	S	*	*			cis	-158.7	173.2	-5.8	-132.4	-131.4	0	0	0	110.4
488	E	26.8	Very low	27.4	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	73%	0.734	S	S	*	*			trans	4.2	159.2	146.4	-70.4	-174.6	173.6	0	0	122.9
489	C	23	Very low	27.3	Very low	100 Å²	100	134.2 Å²	134.2	68%	0.676	73%	0.731	S	S	*	*			cis	-175.2	-168.5	-11.3	-177.5	0	0	0	0	109.2
490	F	25.6	Very low	27.2	Very low	189 Å²	189	137.7 Å²	137.7	83%	0.829	74%	0.735	S	S	*	*			trans	88.3	128.8	164.7	-73.1	-87.9	0	0	0	122
491	Q	23.1	Very low	26.9	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	73%	0.725	S	S	*	*			trans	-111	170.4	151.3	-64.3	-167.2	-15.2	0	0	109.1
492	P	29.5	Very low	26.7	Very low	133 Å²	133	140.1 Å²	140.1	86%	0.864	73%	0.734	S	S	*	*				-148.1	-169.7	97.5	37.8	-19.5	0	0	0	115.6
493	K	23.1	Very low	26.4	Very low	170 Å²	170	138.6 Å²	138.6	74%	0.739	73%	0.728	S	S	*	*			trans	-113.1	153.8	-173.3	-51.5	166	-177.3	171.3	0	112.9
494	F	25.5	Very low	26.2	Very low	195 Å²	195	138.2 Å²	138.2	86%	0.855	73%	0.731	S	S	*	*			trans	-177	138.4	149.2	-107	-80.8	0	0	0	107.4
495	T	24.9	Very low	26.1	Very low	110 Å²	110	139.4 Å²	139.4	68%	0.675	73%	0.734	S	S	*	*			cis	109.6	141.5	-1.4	70.7	0	0	0	0	118.4
496	E	28.2	Very low	26	Very low	142 Å²	142	140 Å²	140	66%	0.664	74%	0.738	S	S	*	*			trans	91.6	119.5	175.1	-49.2	-128.6	120.3	0	0	116.4
497	K	25.6	Very low	26	Very low	161 Å²	161	139.9 Å²	139.9	70%	0.7	74%	0.738	S	S	*	*				84.7	147.9	82.5	-72.1	178.7	-176.8	159.4	0	114
498	T	24.4	Very low	25.9	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	74%	0.74	S	S	*	*			cis	-160.5	158.1	-4.9	11.6	0	0	0	0	114.3
499	S	24.9	Very low	26	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	74%	0.739	S	S	*	*			trans	-16	149	161.3	58.1	0	0	0	0	125.2
500	Y	26.5	Very low	26.2	Very low	224 Å²	224	138.7 Å²	138.7	88%	0.878	75%	0.745	S	S	*	*			trans	-159.1	163.6	150	-81.1	-84.6	0	0	0	109.7
501	S	26.1	Very low	26.3	Very low	86 Å²	86	138.4 Å²	138.4	60%	0.601	75%	0.746	S	S	*	*			cis	-177.1	133.9	-39.1	57.4	0	0	0	0	114
502	L	26.3	Very low	26.5	Very low	164 Å²	164	135.5 Å²	135.5	86%	0.859	74%	0.743	S	S	*	*			trans	64.4	167.5	155.8	-83.6	79	0	0	0	120
503	S	25.5	Very low	26.5	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	74%	0.74	S	S	*	*			cis	175.6	145.1	-37.4	60.6	0	0	0	0	113.2
504	T	28.8	Very low	26.9	Very low	129 Å²	129	133 Å²	133	79%	0.791	74%	0.739	S	S	*	*			trans	169.7	140.7	148.6	37.1	0	0	0	0	108.8
505	T	25.8	Very low	27	Very low	122 Å²	122	132 Å²	132	75%	0.748	74%	0.737	S	S	*	*			cis	75.1	131.9	36.1	67.9	0	0	0	0	114.6
506	C	25.6	Very low	27.3	Very low	108 Å²	108	129.9 Å²	129.9	73%	0.73	74%	0.737	S	S	*	*			cis	-157.8	-165.2	5.8	-128.8	0	0	0	0	109.2
507	D	29.1	Very low	27.2	Very low	127 Å²	127	132 Å²	132	68%	0.679	74%	0.744	S	S	*	*			cis	-158.2	-156.4	8.9	-135.5	-64.8	0	0	0	111.8
508	N	26.5	Very low	27.3	Very low	139 Å²	139	135 Å²	135	74%	0.743	75%	0.752	S	S	*	*			trans	-81.3	-163.4	-179.5	-35.5	-69.4	0	0	0	114.4
509	S	28.4	Very low	27.5	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	75%	0.75	S	S	*	*			cis	-179.6	164.8	10.9	34.3	0	0	0	0	107.8
510	D	26.1	Very low	27.7	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	75%	0.752	S	S	*	*			cis	-167.7	-168.1	-9	-117.1	-84.9	0	0	0	111.2
511	E	29	Very low	27.7	Very low	183 Å²	183	134.3 Å²	134.3	86%	0.855	75%	0.748	S	S	*	*			trans	71.7	154.9	169.7	-65.8	-170.7	174.8	0	0	120
512	S	27.8	Very low	27.6	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	75%	0.75	S	S	*	*			cis	-165	146.9	-33.5	64.7	0	0	0	0	113.3
513	S	29.2	Very low	27.5	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	74%	0.741	S	S	*	*			trans	66.3	158.9	166.8	84.9	0	0	0	0	118.3
514	N	30.2	Very low	27.6	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	75%	0.751	S	S	*	*			cis	-151.5	155.4	-4.4	-152.8	22.1	0	0	0	112.5
515	E	29.5	Very low	27.4	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	74%	0.744	S	S	*	*			trans	36.4	134.4	163.2	-64.6	-173.3	155.4	0	0	122.8
516	G	29.4	Very low	27.4	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	75%	0.751	S	S	*	*			cis	163.6	159.8	-8.9	0	0	0	0	0	115.8
517	K	27.2	Very low	27.5	Very low	188 Å²	188	139 Å²	139	82%	0.817	75%	0.752	S	S	*	*			trans	66.7	129	169.8	-56.9	162	-172.1	161.8	0	115.1
518	Y	28	Very low	27.7	Very low	222 Å²	222	138.2 Å²	138.2	87%	0.871	75%	0.754	S	S	*	*			cis	-129.1	159.7	32.8	-86.5	-103.3	0	0	0	115.9
519	T	28.6	Very low	27.7	Very low	110 Å²	110	140.2 Å²	140.2	68%	0.675	76%	0.758	S	S	*	*			trans	-55.8	160.5	166.4	50.7	0	0	0	0	113.9
520	N	28.4	Very low	27.9	Very low	139 Å²	139	141 Å²	141	74%	0.743	76%	0.764	S	S	*	*			cis	-170.8	168.1	1.2	-110.6	7.9	0	0	0	107.6
521	F	25.8	Very low	28	Very low	180 Å²	180	140.5 Å²	140.5	79%	0.789	77%	0.766	S	S	*	*			cis	-161.4	169.3	-16.2	-168.2	-99.9	0	0	0	107.1
522	S	23.8	Very low	28.3	Very low	91 Å²	91	137.4 Å²	137.4	64%	0.636	76%	0.762	S	S	*	*			trans	-159.5	173.1	179.2	-166.6	0	0	0	0	114.5
523	T	26.2	Very low	28.5	Very low	112 Å²	112	139.1 Å²	139.1	69%	0.687	77%	0.774	S	S	*	*			trans	91.2	152.4	153.7	-25.4	0	0	0	0	119.8
524	L	26	Very low	28.6	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	77%	0.769	S	S	*	*			trans	102.6	145.5	154.8	-57	174.4	0	0	0	119.2
525	V	26	Very low	28.7	Very low	108 Å²	108	139.7 Å²	139.7	66%	0.655	78%	0.777	S	S	*	*			cis	-169.6	143.5	-43.5	118.2	0	0	0	0	111.5
526	R	25.7	Very low	28.7	Very low	240 Å²	240	138 Å²	138	91%	0.906	77%	0.774	S	S	*	*			trans	51.5	144.1	161.2	-70.7	175.6	177.8	159.4	0.4	121.9
527	A	27.1	Very low	28.8	Very low	89 Å²	89	144.1 Å²	144.1	74%	0.736	79%	0.785	S	S	*	*			trans	-94.6	176.7	161.1	0	0	0	0	0	111.4
528	P	32.3	Very low	28.8	Very low	111 Å²	111	144 Å²	144	72%	0.721	79%	0.787	S	S	*	*				-153.1	160.7	104.6	37.2	-18.8	0	0	0	118.8
529	H	27.6	Very low	28.9	Very low	181 Å²	181	141 Å²	141	84%	0.838	78%	0.784	S	S	*	*			trans	27.2	126.4	150	-52.2	-56.7	0	0	0	124
530	S	31.5	Very low	28.8	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	79%	0.791	S	S	*	*				-178.1	168.6	112.2	39.9	0	0	0	0	112.1
531	T	28.6	Very low	28.8	Very low	139 Å²	139	140 Å²	140	85%	0.853	79%	0.788	S	S	*	*			trans	-139.9	-162.6	-164.3	56.5	0	0	0	0	112.7
532	P	35.8	Very low	28.8	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	79%	0.785	S	S	*	*				-134.7	163	-95.6	41.8	-23.8	0	0	0	117.5
533	S	32.2	Very low	29.2	Very low	129 Å²	129	137.5 Å²	137.5	90%	0.902	79%	0.787	S	S	*	*			trans	-174.5	153.2	154.8	57.2	0	0	0	0	109.8
534	G	31.4	Very low	29.4	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	78%	0.783	S	S	*	*			cis	176.7	-179.7	-2.6	0	0	0	0	0	111.4
535	H	32.4	Very low	29.5	Very low	197 Å²	197	137.6 Å²	137.6	91%	0.912	78%	0.784	S	S	*	*			trans	74.5	120.3	177.6	-71.7	-71.4	0	0	0	120.3
536	N	28.5	Very low	29.8	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	78%	0.779	S	S	*	*			trans	-67.6	153.9	176.4	-46.1	-34.5	0	0	0	113.4
537	H	31.8	Very low	30.2	Very low	192 Å²	192	132.3 Å²	132.3	89%	0.889	77%	0.769	S	S	*	*				-146.9	128	128.2	-101.6	-75.8	0	0	0	110.2
538	H	28.1	Very low	30.9	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.866	76%	0.764	S	S	*	*			trans	-82	113.9	174	-86.3	-86.1	0	0	0	110.7
539	I	29.9	Very low	31.7	Very low	158 Å²	158	130.5 Å²	130.5	81%	0.81	75%	0.745	S	S	*	*			trans	-135.6	141.3	151.5	-63	-174.4	0	0	0	107.6
540	S	24.9	Very low	32.8	Very low	117 Å²	117	124.6 Å²	124.6	82%	0.818	73%	0.725	S	S	*	*			trans	-70.5	126.5	-170.8	-51.8	0	0	0	0	113.6
541	T	29.3	Very low	34.1	Very low	112 Å²	112	125 Å²	125	69%	0.687	71%	0.713	S	S	*	*			trans	-126.6	85.4	168	47.7	0	0	0	0	111.8
542	S	26.3	Very low	35.9	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	70%	0.701	S	S	*	*			trans	-67.1	155	140.2	50.7	0	0	0	0	109.4
543	V	30.8	Very low	37.6	Very low	112 Å²	112	118.9 Å²	118.9	68%	0.679	67%	0.666	S	S	*	*			trans	74	75.9	176.5	-164	0	0	0	0	114.9
544	I	30.6	Very low	39.4	Very low	115 Å²	115	117.6 Å²	117.6	59%	0.59	65%	0.649	S	S	*	*			trans	-135.9	-48.3	158.1	-66.2	-172.5	0	0	0	111.7	S546	I544-S546 PolarHBondContact O-N 2.92Å
545	D	28.9	Very low	41.5	Very low	155 Å²	155	117.4 Å²	117.4	83%	0.829	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	4.7	-170.2	-72.4	-13.2	0	0	0	117.2
546	S	33	Very low	43.8	Very low	81 Å²	81	108.4 Å²	108.4	57%	0.566	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-5.2	-178.7	56.9	0	0	0	0	115.1	I544	I544-S546 PolarHBondContact O-N 2.92Å
547	F	33.4	Very low	46.5	Very low	156 Å²	156	106.4 Å²	106.4	68%	0.684	60%	0.595	S	S	*	*	S	Bend	trans	-96.5	-2.5	-170.8	-85.1	-83.3	0	0	0	116
548	S	41.6	Very low	49.1	Very low	91 Å²	91	102.1 Å²	102.1	64%	0.636	58%	0.584	S	S	*	*	S	Bend	trans	-104.7	-28.8	-179.8	56.7	0	0	0	0	114.8	S550	S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 2.76Å
549	E	49.6	Very low	51.9	Low	70 Å²	70	96.3 Å²	96.3	33%	0.327	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-23.6	-179.8	-72.5	-161.6	176.5	0	0	112.9	H443 Q447 K450	H443-E549 IonicContact CE1-OE1 3.92Å; H443-E549 PolarHBondContact CE1-OE1 2.74Å; H443-E549 IonicContact CE1-OE2 3.66Å; H443-E549 PolarHBondContact CE1-OE2 3.39Å; H443-E549 IonicContact NE2-OE2 2.75Å; H443-E549 PolarHBondContact NE2-OE2 2.86Å; Q447-E549 PolarHBondContact NE2-OE2 2.96Å; K450-E549 IonicContact NZ-OE1 3.27Å; K450-E549 PolarHBondContact NZ-OE1 3.29Å
550	S	50.3	Low	54.7	Low	58 Å²	58	90.3 Å²	90.3	41%	0.406	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-50.3	-177.3	48.8	0	0	0	0	113.3	S548 M552 F553	S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 2.76Å; S550-M552 VanDerWaalsContact C-N 3.27Å; S550-M552 PolarHBondContact O-N 3.07Å; S550-F553 PolarHBondContact O-N 3.12Å
551	H	59	Low	57.8	Low	129 Å²	129	86.3 Å²	86.3	60%	0.597	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70.4	-17.9	-169.9	-71.5	-58.5	0	0	0	114.5	F553 D554	H551-F553 PolarHBondContact O-N 3.02Å; H551-F553 VanDerWaalsContact O-N 3.08Å; H551-D554 IonicContact CE1-OD2 3.16Å; H551-D554 IonicContact CG-OD2 3.61Å; H551-D554 IonicContact ND1-OD2 2.71Å; H551-D554 PolarHBondContact ND1-OD2 2.83Å; H551-D554 PolarHBondContact O-N 2.88Å
552	M	65.9	Low	60.5	Low	119 Å²	119	84.3 Å²	84.3	59%	0.586	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.3	-178.7	-161	170.6	76.5	0	0	113.1	S550	S550-M552 VanDerWaalsContact C-N 3.27Å; S550-M552 PolarHBondContact O-N 3.07Å
553	F	72.6	Confident	63.5	Low	8 Å²	8	82.3 Å²	82.3	4%	0.035	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-127.1	18.3	-176	-55.6	-69.3	0	0	0	113.9	A439 Y440 H443 S550 H551 G555 L556 K561	A439-F553 HydrophobicContact CB-CE1 4.01Å; Y440-F553 HydrophobicContact CD2-CB 3.92Å; Y440-F553 AromaticContact CD2-CD1 3.69Å; Y440-F553 HydrophobicContact CD2-CD1 3.69Å; Y440-F553 AromaticContact CD2-CD2 3.65Å; Y440-F553 HydrophobicContact CD2-CD2 3.65Å; Y440-F553 HydrophobicContact CD2-CE1 4.01Å; Y440-F553 AromaticContact CD2-CE2 3.96Å; Y440-F553 HydrophobicContact CD2-CE2 3.96Å; Y440-F553 AromaticContact CD2-CG 3.48Å; Y440-F553 HydrophobicContact CD2-CG 3.48Å; Y440-F553 VanDerWaalsContact CD2-CG 3.48Å; Y440-F553 HydrophobicContact CD2-CZ 4.12Å; Y440-F553 HydrophobicContact CE2-CB 4.24Å; Y440-F553 AromaticContact CE2-CD2 3.92Å; Y440-F553 HydrophobicContact CE2-CD2 3.92Å; Y440-F553 HydrophobicContact CE2-CE2 4.4Å; Y440-F553 HydrophobicContact CE2-CG 4.05Å; Y440-F553 HydrophobicContact CG-CD1 4.41Å; H443-F553 HydrophobicContact CB-CE2 4.2Å; H443-F553 HydrophobicContact CB-CZ 3.7Å; H443-F553 AromaticContact CD2-CE2 3.61Å; H443-F553 AromaticContact CG-CE2 3.86Å; H443-F553 AromaticContact CG-CZ 3.82Å; S550-F553 PolarHBondContact O-N 3.12Å; H551-F553 PolarHBondContact O-N 3.02Å; H551-F553 VanDerWaalsContact O-N 3.08Å; F553-G555 PolarHBondContact O-N 2.87Å; F553-G555 VanDerWaalsContact O-N 3.12Å; F553-L556 PolarHBondContact O-N 2.97Å; F553-K561 WeakPolarHBondContact O-CE 3.33Å; F553-K561 PolarHBondContact O-NZ 2.9Å
554	D	69.5	Low	66.3	Low	102 Å²	102	77 Å²	77	55%	0.545	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21	-178.1	-76.9	-14.8	0	0	0	113.7	H551 L556	H551-D554 IonicContact CE1-OD2 3.16Å; H551-D554 IonicContact CG-OD2 3.61Å; H551-D554 IonicContact ND1-OD2 2.71Å; H551-D554 PolarHBondContact ND1-OD2 2.83Å; H551-D554 PolarHBondContact O-N 2.88Å; D554-L556 PolarHBondContact O-N 2.74Å
555	G	75.9	Confident	68.9	Low	64 Å²	64	76 Å²	76	66%	0.66	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	5	172.6	0	0	0	0	0	115.9	F553	F553-G555 PolarHBondContact O-N 2.87Å; F553-G555 VanDerWaalsContact O-N 3.12Å
556	L	80.9	Confident	71.5	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.042	42%	0.415	C	S	.	.	S	Bend	trans	-115.8	129.1	174.3	-76.7	170.2	0	0	0	111	L436 A437 Y440 F553 D554 V560 K561	L436-L556 HydrophobicContact CB-CD1 4.16Å; L436-L556 HydrophobicContact CB-CD2 4.44Å; L436-L556 HydrophobicContact CB-CG 4.07Å; A437-L556 HydrophobicContact CB-CD2 4.25Å; Y440-L556 HydrophobicContact CD2-CD1 4.49Å; Y440-L556 HydrophobicContact CG-CD1 4.09Å; F553-L556 PolarHBondContact O-N 2.97Å; D554-L556 PolarHBondContact O-N 2.74Å; L556-V560 HydrophobicContact CD2-CG1 4.18Å; L556-K561 HydrophobicContact CB-CG 4.16Å; L556-K561 WeakPolarHBondContact O-CE 3.36Å; L556-K561 PolarHBondContact O-NZ 2.71Å
557	D	85.1	Confident	74	Confident	96 Å²	96	67.2 Å²	67.2	51%	0.513	39%	0.389	S	S	.	.			trans	-52.5	131.3	173.6	-174.7	-28.2	0	0	0	111.1	S559 V560 K561	D557-S559 PolarHBondContact O-N 3.43Å; D557-S559 PolarHBondContact OD1-N 3.03Å; D557-V560 HydrophobicContact CB-CB 4.17Å; D557-V560 HydrophobicContact CB-CG2 3.99Å; D557-V560 WeakPolarHBondContact O-CB 3.38Å; D557-V560 PolarHBondContact O-N 3.4Å; D557-K561 PolarHBondContact O-N 2.88Å
558	P	85.9	Confident	76.2	Confident	101 Å²	101	60.7 Å²	60.7	66%	0.656	36%	0.36	S	S	*	.	H	α-helix	trans	-49.8	-33.6	171.7	-29.5	36.9	0	0	0	115.6	K561 S562	P558-K561 PolarHBondContact O-N 3.49Å; P558-S562 PolarHBondContact O-N 2.87Å; P558-S562 VanDerWaalsContact O-N 3.11Å
559	S	87.2	Confident	77.7	Confident	65 Å²	65	60.3 Å²	60.3	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-54.7	172.7	-167.9	0	0	0	0	109.9	D557 K561 S562 D563	D557-S559 PolarHBondContact O-N 3.43Å; D557-S559 PolarHBondContact OD1-N 3.03Å; S559-K561 PolarHBondContact O-N 3.43Å; S559-K561 VanDerWaalsContact O-N 3.17Å; S559-S562 CarbonylContact O-C 3.57Å; S559-S562 WeakPolarHBondContact O-CA 3.27Å; S559-S562 WeakPolarHBondContact O-CB 3.33Å; S559-S562 PolarHBondContact O-N 3.27Å; S559-D563 VanDerWaalsContact C-OD2 3.26Å; S559-D563 PolarHBondContact O-N 2.93Å; S559-D563 PolarHBondContact OG-OD2 2.97Å; S559-D563 VanDerWaalsContact OG-OD2 3.08Å
560	V	88.2	Confident	78.7	Confident	32 Å²	32	59.2 Å²	59.2	19%	0.194	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-35.8	179.2	172.5	0	0	0	0	111.9	L430 L556 D557 D563 L564	L430-V560 HydrophobicContact CD2-CG1 3.54Å; L556-V560 HydrophobicContact CD2-CG1 4.18Å; D557-V560 HydrophobicContact CB-CB 4.17Å; D557-V560 HydrophobicContact CB-CG2 3.99Å; D557-V560 WeakPolarHBondContact O-CB 3.38Å; D557-V560 PolarHBondContact O-N 3.4Å; V560-D563 PolarHBondContact O-N 3.46Å; V560-L564 HydrophobicContact CG1-CD1 3.87Å; V560-L564 HydrophobicContact CG1-CG 4.27Å; V560-L564 VanDerWaalsContact O-CB 3.29Å; V560-L564 WeakPolarHBondContact O-CB 3.25Å; V560-L564 WeakPolarHBondContact O-CG 3.32Å; V560-L564 PolarHBondContact O-N 3.48Å
561	K	89	Confident	79.8	Confident	33 Å²	33	58 Å²	58	14%	0.143	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-50.3	172.6	-71.5	173.8	178	152.1	0	112	Y440 F553 L556 D557 P558 S559 D563 L564 E565	Y440-K561 HydrophobicContact CD1-CG 4.29Å; Y440-K561 HydrophobicContact CE1-CB 3.71Å; Y440-K561 HydrophobicContact CE1-CG 3.8Å; Y440-K561 HydrophobicContact CE2-CD 4.21Å; Y440-K561 HydrophobicContact CE2-CG 4.07Å; F553-K561 WeakPolarHBondContact O-CE 3.33Å; F553-K561 PolarHBondContact O-NZ 2.9Å; L556-K561 HydrophobicContact CB-CG 4.16Å; L556-K561 WeakPolarHBondContact O-CE 3.36Å; L556-K561 PolarHBondContact O-NZ 2.71Å; D557-K561 PolarHBondContact O-N 2.88Å; P558-K561 PolarHBondContact O-N 3.49Å; S559-K561 PolarHBondContact O-N 3.43Å; S559-K561 VanDerWaalsContact O-N 3.17Å; K561-D563 VanDerWaalsContact C-N 3.33Å; K561-D563 PolarHBondContact O-N 2.9Å; K561-L564 PolarHBondContact O-N 3.2Å; K561-E565 PolarHBondContact O-N 3.26Å
562	S	87.8	Confident	80	Confident	71 Å²	71	54.9 Å²	54.9	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-43	175.4	-179.1	0	0	0	0	112	P558 S559 E565 A566	P558-S562 PolarHBondContact O-N 2.87Å; P558-S562 VanDerWaalsContact O-N 3.11Å; S559-S562 CarbonylContact O-C 3.57Å; S559-S562 WeakPolarHBondContact O-CA 3.27Å; S559-S562 WeakPolarHBondContact O-CB 3.33Å; S559-S562 PolarHBondContact O-N 3.27Å; S562-E565 PolarHBondContact O-N 3.12Å; S562-A566 WeakPolarHBondContact O-CB 3.32Å; S562-A566 PolarHBondContact O-N 2.87Å
563	D	89.1	Confident	79.5	Confident	62 Å²	62	55.8 Å²	55.8	33%	0.332	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-39.4	-178.9	-61.3	-39.4	0	0	0	111.5	L427 S559 V560 K561 A566 L567	L427-D563 HydrophobicContact CD1-CB 4.01Å; L427-D563 HydrophobicContact CD2-CB 3.84Å; S559-D563 VanDerWaalsContact C-OD2 3.26Å; S559-D563 PolarHBondContact O-N 2.93Å; S559-D563 PolarHBondContact OG-OD2 2.97Å; S559-D563 VanDerWaalsContact OG-OD2 3.08Å; V560-D563 PolarHBondContact O-N 3.46Å; K561-D563 VanDerWaalsContact C-N 3.33Å; K561-D563 PolarHBondContact O-N 2.9Å; D563-A566 PolarHBondContact O-N 3.35Å; D563-L567 WeakPolarHBondContact O-CB 3.11Å; D563-L567 PolarHBondContact O-N 3.06Å
564	L	88.7	Confident	79	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-35.4	172.2	-73.1	171.3	0	0	0	112.5	L427 I431 A437 Y440 Y441 V560 K561 L567 R568	L427-L564 HydrophobicContact CD2-CD2 4.36Å; L427-L564 HydrophobicContact CD2-CG 4.5Å; I431-L564 HydrophobicContact CD1-CD2 3.65Å; I431-L564 HydrophobicContact CG1-CD2 3.6Å; A437-L564 HydrophobicContact CB-CD1 4.16Å; Y440-L564 HydrophobicContact CD1-CB 4.25Å; Y440-L564 HydrophobicContact CD1-CD1 4.07Å; Y441-L564 HydrophobicContact CD2-CB 4.37Å; Y441-L564 HydrophobicContact CD2-CD2 4.07Å; V560-L564 HydrophobicContact CG1-CD1 3.87Å; V560-L564 HydrophobicContact CG1-CG 4.27Å; V560-L564 VanDerWaalsContact O-CB 3.29Å; V560-L564 WeakPolarHBondContact O-CB 3.25Å; V560-L564 WeakPolarHBondContact O-CG 3.32Å; V560-L564 PolarHBondContact O-N 3.48Å; K561-L564 PolarHBondContact O-N 3.2Å; L564-L567 HydrophobicContact CD2-CD2 4.36Å; L564-R568 WeakPolarHBondContact O-CB 3.3Å; L564-R568 PolarHBondContact O-N 2.94Å
565	E	86	Confident	78.6	Confident	93 Å²	93	56 Å²	56	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-72.1	-39.5	174.3	-78.9	173.1	-132.4	0	0	112.8	Y440 K561 S562 R568 L569	Y440-E565 HydrophobicContact CE1-CG 4.17Å; Y440-E565 PolarHBondContact OH-OE1 3.24Å; K561-E565 PolarHBondContact O-N 3.26Å; S562-E565 PolarHBondContact O-N 3.12Å; E565-R568 WeakPolarHBondContact O-CB 3.48Å; E565-R568 PolarHBondContact O-N 3.29Å; E565-L569 WeakPolarHBondContact O-CB 3.36Å; E565-L569 PolarHBondContact O-N 2.91Å
566	A	84.1	Confident	77.8	Confident	48 Å²	48	56.3 Å²	56.3	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-48.6	174.9	0	0	0	0	0	111.2	S562 D563 R568 L569 E570	S562-A566 WeakPolarHBondContact O-CB 3.32Å; S562-A566 PolarHBondContact O-N 2.87Å; D563-A566 PolarHBondContact O-N 3.35Å; A566-R568 VanDerWaalsContact C-N 3.26Å; A566-R568 PolarHBondContact O-N 2.83Å; A566-L569 PolarHBondContact O-N 3.49Å; A566-E570 WeakPolarHBondContact O-CB 3.44Å; A566-E570 PolarHBondContact O-N 3.24Å
567	L	84.3	Confident	77.3	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-50.4	-48.9	169.7	174.6	77.2	0	0	0	110.6	W418 V424 L427 I431 Y441 D563 L564 L569 E570 E571	W418-L567 HydrophobicContact CH2-CD1 3.53Å; W418-L567 HydrophobicContact CH2-CG 4.28Å; W418-L567 HydrophobicContact CZ2-CD1 3.51Å; W418-L567 HydrophobicContact CZ2-CG 4.32Å; W418-L567 WeakPolarHBondContact CZ2-O 3.45Å; V424-L567 HydrophobicContact CB-CD1 4.1Å; V424-L567 HydrophobicContact CG1-CD1 3.68Å; V424-L567 HydrophobicContact CG2-CD1 3.92Å; L427-L567 HydrophobicContact CB-CD2 3.8Å; L427-L567 HydrophobicContact CD1-CB 4.07Å; L427-L567 HydrophobicContact CD1-CD1 4.5Å; L427-L567 HydrophobicContact CD1-CD2 4.36Å; I431-L567 HydrophobicContact CD1-CD2 3.76Å; Y441-L567 HydrophobicContact CD2-CD2 4.42Å; Y441-L567 HydrophobicContact CE2-CD2 3.7Å; Y441-L567 HydrophobicContact CE2-CG 4.13Å; D563-L567 WeakPolarHBondContact O-CB 3.11Å; D563-L567 PolarHBondContact O-N 3.06Å; L564-L567 HydrophobicContact CD2-CD2 4.36Å; L567-L569 PolarHBondContact O-N 3.05Å; L567-E570 PolarHBondContact O-N 2.36Å; L567-E571 WeakPolarHBondContact O-CB 3.29Å; L567-E571 PolarHBondContact O-N 3.27Å
568	R	80.3	Confident	77.2	Confident	19 Å²	19	52.3 Å²	52.3	7%	0.072	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-42.4	-179.3	-177.3	169.5	-170	68.5	44	112.7	Y441 C444 R445 L564 E565 A566 E571 E572	Y441-R568 HydrophobicContact CD2-CB 4.36Å; Y441-R568 HydrophobicContact CE2-CB 3.65Å; Y441-R568 HydrophobicContact CE2-CG 4.29Å; Y441-R568 PolarHBondContact O-NH1 3.48Å; C444-R568 VanDerWaalsContact CB-CD 3.47Å; R445-R568 VanDerWaalsContact CB-CZ 3.48Å; R445-R568 VanDerWaalsContact N-NE 3.2Å; L564-R568 WeakPolarHBondContact O-CB 3.3Å; L564-R568 PolarHBondContact O-N 2.94Å; E565-R568 WeakPolarHBondContact O-CB 3.48Å; E565-R568 PolarHBondContact O-N 3.29Å; A566-R568 VanDerWaalsContact C-N 3.26Å; A566-R568 PolarHBondContact O-N 2.83Å; R568-E571 PolarHBondContact O-N 2.61Å; R568-E572 HydrophobicContact CG-CG 4.46Å; R568-E572 IonicContact CZ-OE1 3.65Å; R568-E572 IonicContact NE-OE1 2.79Å; R568-E572 PolarHBondContact NE-OE1 2.85Å; R568-E572 IonicContact NH2-OE1 2.7Å; R568-E572 PolarHBondContact NH2-OE1 2.93Å; R568-E572 WeakPolarHBondContact O-CB 3.35Å; R568-E572 WeakPolarHBondContact O-CG 3.46Å; R568-E572 PolarHBondContact O-N 3.04Å
569	L	73.5	Confident	76.4	Confident	83 Å²	83	48.5 Å²	48.5	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.6	-176	69.1	0	0	0	111.2	E565 A566 L567 E571 E572 Q573	E565-L569 WeakPolarHBondContact O-CB 3.36Å; E565-L569 PolarHBondContact O-N 2.91Å; A566-L569 PolarHBondContact O-N 3.49Å; L567-L569 PolarHBondContact O-N 3.05Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E572 PolarHBondContact O-N 2.93Å; L569-Q573 VanDerWaalsContact O-CG 3.31Å; L569-Q573 WeakPolarHBondContact O-CG 3.5Å; L569-Q573 PolarHBondContact O-N 3.24Å; L569-Q573 VanDerWaalsContact O-N 3.16Å
570	E	70.5	Confident	75.6	Confident	48 Å²	48	50.1 Å²	50.1	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-33.2	174.6	-78.4	-141.2	-99.4	0	0	112.7	W418 R421 A566 L567 R574	W418-E570 HydrophobicContact CZ2-CB 3.65Å; W418-E570 VanDerWaalsContact NE1-CD 3.3Å; W418-E570 PolarHBondContact NE1-OE1 3.18Å; W418-E570 PolarHBondContact NE1-OE2 2.88Å; R421-E570 IonicContact CZ-OE1 3.62Å; R421-E570 IonicContact NH1-OE1 2.79Å; R421-E570 PolarHBondContact NH1-OE1 3.22Å; R421-E570 IonicContact NH1-OE2 3.44Å; R421-E570 IonicContact NH2-OE1 3.66Å; A566-E570 WeakPolarHBondContact O-CB 3.44Å; A566-E570 PolarHBondContact O-N 3.24Å; L567-E570 PolarHBondContact O-N 2.36Å; E570-R574 VanDerWaalsContact CB-NH1 3.33Å; E570-R574 WeakPolarHBondContact O-CG 3.1Å; E570-R574 PolarHBondContact O-N 2.8Å; E570-R574 PolarHBondContact O-NH1 3.48Å; E570-R574 IonicContact OE2-CZ 2.9Å; E570-R574 IonicContact OE2-NH1 3.72Å; E570-R574 PolarHBondContact OE2-NH1 3.44Å; E570-R574 IonicContact OE2-NH2 3.81Å; E570-R574 PolarHBondContact OE2-NH2 3.08Å
571	E	72.2	Confident	74.5	Confident	32 Å²	32	51.6 Å²	51.6	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-46.7	173.3	-168	166	-96.2	0	0	111.4	Y415 W418 R428 Y441 L567 R568 L569 Q573 R574 Q575	Y415-E571 HydrophobicContact CE2-CG 4.31Å; W418-E571 HydrophobicContact CH2-CB 3.72Å; W418-E571 HydrophobicContact CH2-CG 4.21Å; W418-E571 HydrophobicContact CZ2-CB 4.34Å; W418-E571 HydrophobicContact CZ3-CB 4.4Å; W418-E571 HydrophobicContact CZ3-CG 4.48Å; R428-E571 IonicContact CZ-OE1 3.5Å; R428-E571 IonicContact NE-OE1 3.53Å; R428-E571 IonicContact NH2-OE1 3.54Å; R428-E571 PolarHBondContact NH2-OE1 2.84Å; Y441-E571 PolarHBondContact OH-OE2 3.11Å; L567-E571 WeakPolarHBondContact O-CB 3.29Å; L567-E571 PolarHBondContact O-N 3.27Å; R568-E571 PolarHBondContact O-N 2.61Å; L569-E571 VanDerWaalsContact C-N 3.34Å; E571-Q573 PolarHBondContact O-N 3.47Å; E571-Q573 VanDerWaalsContact O-N 3.16Å; E571-R574 CarbonylContact O-C 3.6Å; E571-R574 PolarHBondContact O-N 2.96Å; E571-Q575 HydrophobicContact CG-CG 4.1Å; E571-Q575 WeakPolarHBondContact O-CB 3.38Å; E571-Q575 PolarHBondContact O-N 3.4Å
572	E	63.8	Low	73.8	Confident	64 Å²	64	50 Å²	50	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-14.9	176.7	-74.6	173.9	-176.1	0	0	113.8	K448 R568 L569 Q575	K448-E572 WeakPolarHBondContact CD-OE2 3.26Å; K448-E572 IonicContact NZ-OE2 2.64Å; K448-E572 PolarHBondContact NZ-OE2 2.84Å; R568-E572 HydrophobicContact CG-CG 4.46Å; R568-E572 IonicContact CZ-OE1 3.65Å; R568-E572 IonicContact NE-OE1 2.79Å; R568-E572 PolarHBondContact NE-OE1 2.85Å; R568-E572 IonicContact NH2-OE1 2.7Å; R568-E572 PolarHBondContact NH2-OE1 2.93Å; R568-E572 WeakPolarHBondContact O-CB 3.35Å; R568-E572 WeakPolarHBondContact O-CG 3.46Å; R568-E572 PolarHBondContact O-N 3.04Å; L569-E572 PolarHBondContact O-N 2.93Å; E572-Q575 VanDerWaalsContact O-O 3.11Å
573	Q	56.1	Low	73.4	Confident	137 Å²	137	50 Å²	50	64%	0.64	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-17.1	170.2	-72.7	172.3	6.3	0	0	113.3	L569 E571	L569-Q573 VanDerWaalsContact O-CG 3.31Å; L569-Q573 WeakPolarHBondContact O-CG 3.5Å; L569-Q573 PolarHBondContact O-N 3.24Å; L569-Q573 VanDerWaalsContact O-N 3.16Å; E571-Q573 PolarHBondContact O-N 3.47Å; E571-Q573 VanDerWaalsContact O-N 3.16Å
574	R	60.9	Low	72.3	Confident	65 Å²	65	48.8 Å²	48.8	25%	0.245	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-4.8	-177.2	-66	174.5	177.4	84.1	-12	113.6	N412 Y415 W418 E570 E571	N412-R574 PolarHBondContact ND2-O 2.75Å; Y415-R574 HydrophobicContact CD2-CB 3.64Å; Y415-R574 HydrophobicContact CD2-CG 4.44Å; Y415-R574 HydrophobicContact CE2-CB 4.3Å; Y415-R574 HydrophobicContact CG-CB 4.17Å; W418-R574 VanDerWaalsContact CD1-CZ 3.41Å; E570-R574 VanDerWaalsContact CB-NH1 3.33Å; E570-R574 WeakPolarHBondContact O-CG 3.1Å; E570-R574 PolarHBondContact O-N 2.8Å; E570-R574 PolarHBondContact O-NH1 3.48Å; E570-R574 IonicContact OE2-CZ 2.9Å; E570-R574 IonicContact OE2-NH1 3.72Å; E570-R574 PolarHBondContact OE2-NH1 3.44Å; E570-R574 IonicContact OE2-NH2 3.81Å; E570-R574 PolarHBondContact OE2-NH2 3.08Å; E571-R574 CarbonylContact O-C 3.6Å; E571-R574 PolarHBondContact O-N 2.96Å
575	Q	62.2	Low	71.5	Confident	51 Å²	51	50.4 Å²	50.4	24%	0.238	26%	0.261	C	S	.	.			trans	-123.9	126.1	172.7	-69.5	-73.9	-50.5	0	0	107.2	Y415 E571 E572	Y415-Q575 HydrophobicContact CE1-CG 4.47Å; Y415-Q575 HydrophobicContact CE2-CG 4.31Å; Y415-Q575 VanDerWaalsContact CZ-NE2 3.32Å; Y415-Q575 PolarHBondContact OH-NE2 2.96Å; E571-Q575 HydrophobicContact CG-CG 4.1Å; E571-Q575 WeakPolarHBondContact O-CB 3.38Å; E571-Q575 PolarHBondContact O-N 3.4Å; E572-Q575 VanDerWaalsContact O-O 3.11Å
576	P	57.4	Low	71.2	Confident	70 Å²	70	46.1 Å²	46.1	46%	0.455	24%	0.242	S	C	.	.			cis	-117.7	137.3	42	5	18.2	0	0	0	113.7	W578 P579	P576-W578 VanDerWaalsContact C-N 3.26Å; P576-P579 HydrophobicContact CG-CB 4.38Å
577	L	70.3	Confident	71	Confident	13 Å²	13	46 Å²	46	7%	0.068	25%	0.245	C	C	.	.	S	Bend	trans	-69.7	-31.5	167.5	-74.4	158.9	0	0	0	110.7	R407 V408 N412 P579	R407-L577 PolarHBondContact NE-O 3.34Å; R407-L577 PolarHBondContact NH2-O 3.01Å; V408-L577 HydrophobicContact CB-CD1 4.06Å; V408-L577 HydrophobicContact CG1-CD1 3.82Å; V408-L577 HydrophobicContact CG2-CB 4.28Å; V408-L577 HydrophobicContact CG2-CD1 3.72Å; V408-L577 HydrophobicContact CG2-CG 4.42Å; N412-L577 HydrophobicContact CB-CD2 4.14Å; L577-P579 VanDerWaalsContact O-CD 3.27Å; L577-P579 WeakPolarHBondContact O-CD 3.3Å
578	W	82.8	Confident	71.1	Confident	6 Å²	6	46.7 Å²	46.7	2%	0.023	25%	0.247	C	C	.	.	S	Bend	trans	-107.2	82.8	167	-153.2	-114.8	0	0	0	112.7	A400 L403 W404 P576 L582 T586 Y588 E590 L593	A400-W578 HydrophobicContact CB-CH2 3.82Å; A400-W578 HydrophobicContact CB-CZ2 3.82Å; A400-W578 WeakPolarHBondContact O-CH2 3.45Å; L403-W578 HydrophobicContact CB-CZ3 4.28Å; L403-W578 HydrophobicContact CD2-CH2 4.32Å; L403-W578 HydrophobicContact CD2-CZ3 4.21Å; L403-W578 HydrophobicContact CG-CZ3 4.17Å; W404-W578 HydrophobicContact CB-CE3 3.74Å; W404-W578 HydrophobicContact CB-CZ3 3.86Å; W404-W578 AromaticContact CD1-CE3 3.9Å; W404-W578 HydrophobicContact CG-CE3 4.24Å; P576-W578 VanDerWaalsContact C-N 3.26Å; W578-L582 HydrophobicContact CD2-CB 3.95Å; W578-L582 HydrophobicContact CD2-CD1 4.28Å; W578-L582 HydrophobicContact CE3-CB 4.24Å; W578-L582 HydrophobicContact CE3-CD1 3.72Å; W578-L582 HydrophobicContact CH2-CB 4.19Å; W578-L582 HydrophobicContact CH2-CD1 4.05Å; W578-L582 HydrophobicContact CZ2-CB 3.88Å; W578-L582 HydrophobicContact CZ3-CB 4.36Å; W578-L582 HydrophobicContact CZ3-CD1 3.6Å; W578-T586 HydrophobicContact CH2-CG2 4.16Å; W578-T586 HydrophobicContact CZ2-CG2 3.69Å; W578-T586 WeakPolarHBondContact CZ2-OG1 3.45Å; W578-Y588 PolarHBondContact NE1-O 2.87Å; W578-E590 HydrophobicContact CB-CB 3.79Å; W578-E590 HydrophobicContact CB-CG 3.65Å; W578-E590 WeakPolarHBondContact CB-OE1 3.16Å; W578-E590 HydrophobicContact CG-CB 4.28Å; W578-E590 HydrophobicContact CG-CG 4.45Å; W578-E590 PolarHBondContact N-OE1 2.83Å; W578-L593 HydrophobicContact CD2-CD1 3.81Å; W578-L593 VanDerWaalsContact CE2-CD1 3.4Å; W578-L593 HydrophobicContact CE3-CD1 4.28Å; W578-L593 HydrophobicContact CG-CD1 4.34Å; W578-L593 HydrophobicContact CH2-CD1 4.02Å; W578-L593 HydrophobicContact CZ2-CD1 3.52Å; W578-L593 HydrophobicContact CZ3-CD1 4.37Å
579	P	69.4	Low	71.5	Confident	22 Å²	22	51.5 Å²	51.5	14%	0.143	27%	0.269	C	S	.	.			trans	-68.6	158.4	-177.1	27.6	-35.9	0	0	0	112.7	L366 P576 L577 I581 L582 E583	L366-P579 HydrophobicContact CD1-CG 3.3Å; P576-P579 HydrophobicContact CG-CB 4.38Å; L577-P579 VanDerWaalsContact O-CD 3.27Å; L577-P579 WeakPolarHBondContact O-CD 3.3Å; P579-I581 HydrophobicContact CG-CG2 4.3Å; P579-I581 PolarHBondContact O-N 3.32Å; P579-L582 HydrophobicContact CG-CG 4.48Å; P579-L582 PolarHBondContact O-N 2.9Å; P579-E583 PolarHBondContact O-N 3.29Å
580	P	70.5	Confident	72.2	Confident	99 Å²	99	49.6 Å²	49.6	64%	0.643	26%	0.257	S	S	*	.	H	α-helix	trans	-54.1	-28.6	-173	-29.9	36.2	0	0	0	115.5	E583 H584	P580-E583 PolarHBondContact O-N 3.44Å; P580-H584 WeakPolarHBondContact O-CB 3.31Å; P580-H584 PolarHBondContact O-N 2.93Å
581	I	65.7	Low	73	Confident	62 Å²	62	50.5 Å²	50.5	32%	0.318	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-34.6	175.2	-167.1	169.9	0	0	0	112.8	V365 L366 P579 I585	V365-I581 HydrophobicContact CG1-CD1 3.88Å; V365-I581 HydrophobicContact CG1-CG1 4.04Å; V365-I581 HydrophobicContact CG1-CG2 4.34Å; L366-I581 HydrophobicContact CD1-CG2 4.02Å; L366-I581 HydrophobicContact CD2-CG2 4.46Å; L366-I581 HydrophobicContact CG-CG2 4.44Å; P579-I581 HydrophobicContact CG-CG2 4.3Å; P579-I581 PolarHBondContact O-N 3.32Å; I581-I585 HydrophobicContact CG1-CD1 3.87Å; I581-I585 WeakPolarHBondContact O-CB 3.39Å; I581-I585 VanDerWaalsContact O-CG1 3.29Å; I581-I585 WeakPolarHBondContact O-CG1 3.4Å; I581-I585 PolarHBondContact O-N 3.06Å
582	L	74.5	Confident	73.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-77.9	-40.3	173.5	-70.3	-173.4	0	0	0	111.8	V365 L366 L403 W578 P579 H584 I585 T586	V365-L582 HydrophobicContact CB-CD2 3.96Å; V365-L582 HydrophobicContact CG1-CD2 4.21Å; V365-L582 HydrophobicContact CG2-CD2 4.27Å; L366-L582 HydrophobicContact CD1-CD1 3.93Å; L366-L582 HydrophobicContact CD1-CD2 4.45Å; L366-L582 HydrophobicContact CD1-CG 3.84Å; L403-L582 HydrophobicContact CD2-CD1 4.36Å; W578-L582 HydrophobicContact CD2-CB 3.95Å; W578-L582 HydrophobicContact CD2-CD1 4.28Å; W578-L582 HydrophobicContact CE3-CB 4.24Å; W578-L582 HydrophobicContact CE3-CD1 3.72Å; W578-L582 HydrophobicContact CH2-CB 4.19Å; W578-L582 HydrophobicContact CH2-CD1 4.05Å; W578-L582 HydrophobicContact CZ2-CB 3.88Å; W578-L582 HydrophobicContact CZ3-CB 4.36Å; W578-L582 HydrophobicContact CZ3-CD1 3.6Å; P579-L582 HydrophobicContact CG-CG 4.48Å; P579-L582 PolarHBondContact O-N 2.9Å; L582-H584 PolarHBondContact O-N 3.46Å; L582-I585 PolarHBondContact O-N 3.35Å; L582-T586 VanDerWaalsContact O-CB 3.31Å; L582-T586 WeakPolarHBondContact O-CB 3.36Å; L582-T586 VanDerWaalsContact O-CG2 3.29Å; L582-T586 WeakPolarHBondContact O-CG2 3.38Å; L582-T586 PolarHBondContact O-N 3.39Å; L582-T586 PolarHBondContact O-OG1 2.91Å
583	E	78.1	Confident	75.3	Confident	70 Å²	70	48 Å²	48	33%	0.327	26%	0.263	S	S	.	.	H	α-helix	trans	-54.5	-42.2	169.8	173.5	168.2	151.1	0	0	110.5	P579 P580 G587 Y588 K589	P579-E583 PolarHBondContact O-N 3.29Å; P580-E583 PolarHBondContact O-N 3.44Å; E583-G587 CarbonylContact O-C 3.58Å; E583-G587 VanDerWaalsContact O-CA 3.27Å; E583-G587 WeakPolarHBondContact O-CA 3.05Å; E583-G587 PolarHBondContact O-N 3.06Å; E583-Y588 WeakPolarHBondContact CA-O 3.5Å; E583-Y588 PolarHBondContact O-N 3.4Å; E583-K589 HydrophobicContact CG-CG 4.19Å; E583-K589 WeakPolarHBondContact OE1-CE 3.47Å; E583-K589 WeakPolarHBondContact OE1-CG 3.46Å; E583-K589 WeakPolarHBondContact OE2-CG 3.24Å
584	H	68	Low	77	Confident	37 Å²	37	43.5 Å²	43.5	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-52.1	-179.4	-176.3	50.2	0	0	0	113.9	S170 L172 A173 P580 L582 T586	S170-H584 PolarHBondContact OG-CE1 3.12Å; S170-H584 PolarHBondContact OG-O 2.95Å; L172-H584 VanDerWaalsContact C-NE2 3.26Å; L172-H584 VanDerWaalsContact CA-CE1 3.47Å; L172-H584 WeakPolarHBondContact CA-CE1 3.22Å; L172-H584 WeakPolarHBondContact CB-CE1 3.42Å; L172-H584 WeakPolarHBondContact CG-NE2 3.47Å; A173-H584 PolarHBondContact N-CE1 3.37Å; A173-H584 PolarHBondContact N-NE2 3.35Å; A173-H584 VanDerWaalsContact N-NE2 3.19Å; P580-H584 WeakPolarHBondContact O-CB 3.31Å; P580-H584 PolarHBondContact O-N 2.93Å; L582-H584 PolarHBondContact O-N 3.46Å; H584-T586 PolarHBondContact O-N 2.94Å
585	I	70	Confident	78.6	Confident	35 Å²	35	43.9 Å²	43.9	18%	0.179	25%	0.254	C	S	.	.	H	α-helix	trans	-69.2	-33.1	-176.7	-71.3	169.6	0	0	0	112	M223 Q227 Y362 V365 I581 L582	M223-I585 HydrophobicContact CE-CG2 3.73Å; M223-I585 HydrophobicContact SD-CG2 3.72Å; Q227-I585 PolarHBondContact NE2-O 3.01Å; Q227-I585 VanDerWaalsContact NE2-O 3.11Å; Y362-I585 HydrophobicContact CD1-CG2 4.22Å; Y362-I585 HydrophobicContact CE1-CG2 4.36Å; V365-I585 HydrophobicContact CG1-CD1 3.85Å; V365-I585 HydrophobicContact CG2-CD1 3.77Å; I581-I585 HydrophobicContact CG1-CD1 3.87Å; I581-I585 WeakPolarHBondContact O-CB 3.39Å; I581-I585 VanDerWaalsContact O-CG1 3.29Å; I581-I585 WeakPolarHBondContact O-CG1 3.4Å; I581-I585 PolarHBondContact O-N 3.06Å; L582-I585 PolarHBondContact O-N 3.35Å
586	T	79.7	Confident	80.2	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-91.4	-18.8	-179.3	68.6	0	0	0	0	113.9	Y362 A400 W578 L582 H584 Y588	Y362-T586 HydrophobicContact CD1-CG2 3.8Å; Y362-T586 HydrophobicContact CD2-CG2 3.71Å; Y362-T586 HydrophobicContact CE1-CG2 3.75Å; Y362-T586 HydrophobicContact CE2-CG2 3.64Å; Y362-T586 HydrophobicContact CG-CG2 3.78Å; A400-T586 HydrophobicContact CB-CG2 4.32Å; W578-T586 HydrophobicContact CH2-CG2 4.16Å; W578-T586 HydrophobicContact CZ2-CG2 3.69Å; W578-T586 WeakPolarHBondContact CZ2-OG1 3.45Å; L582-T586 VanDerWaalsContact O-CB 3.31Å; L582-T586 WeakPolarHBondContact O-CB 3.36Å; L582-T586 VanDerWaalsContact O-CG2 3.29Å; L582-T586 WeakPolarHBondContact O-CG2 3.38Å; L582-T586 PolarHBondContact O-N 3.39Å; L582-T586 PolarHBondContact O-OG1 2.91Å; H584-T586 PolarHBondContact O-N 2.94Å; T586-Y588 VanDerWaalsContact O-CD2 3.24Å; T586-Y588 WeakPolarHBondContact O-CD2 3.3Å; T586-Y588 WeakPolarHBondContact O-CE2 3.13Å; T586-Y588 PolarHBondContact O-N 2.94Å; T586-Y588 PolarHBondContact OG1-N 3.19Å
587	G	81.2	Confident	82	Confident	45 Å²	45	38.5 Å²	38.5	46%	0.464	22%	0.223	S	C	.	.			trans	74.6	0.8	-170.6	0	0	0	0	0	114.6	E583	E583-G587 CarbonylContact O-C 3.58Å; E583-G587 VanDerWaalsContact O-CA 3.27Å; E583-G587 WeakPolarHBondContact O-CA 3.05Å; E583-G587 PolarHBondContact O-N 3.06Å
588	Y	86.8	Confident	83.1	Confident	18 Å²	18	39.8 Å²	39.8	7%	0.071	23%	0.229	C	C	.	.			trans	-106.2	118.1	-175.1	-65.5	-64.6	0	0	0	112.8	S396 R397 A400 W578 E583 T586 L593	S396-Y588 PolarHBondContact OG-OH 3.24Å; R397-Y588 HydrophobicContact CB-CE1 4.17Å; R397-Y588 HydrophobicContact CB-CE2 3.86Å; R397-Y588 HydrophobicContact CG-CD1 4.23Å; R397-Y588 HydrophobicContact CG-CE1 3.78Å; R397-Y588 HydrophobicContact CG-CE2 4.14Å; A400-Y588 HydrophobicContact CB-CD2 3.99Å; W578-Y588 PolarHBondContact NE1-O 2.87Å; E583-Y588 WeakPolarHBondContact CA-O 3.5Å; E583-Y588 PolarHBondContact O-N 3.4Å; T586-Y588 VanDerWaalsContact O-CD2 3.24Å; T586-Y588 WeakPolarHBondContact O-CD2 3.3Å; T586-Y588 WeakPolarHBondContact O-CE2 3.13Å; T586-Y588 PolarHBondContact O-N 2.94Å; T586-Y588 PolarHBondContact OG1-N 3.19Å; Y588-L593 HydrophobicContact CD1-CD2 4.43Å; Y588-L593 HydrophobicContact CD2-CD2 4.21Å; Y588-L593 HydrophobicContact CG-CD2 3.84Å
589	K	87.3	Confident	83.8	Confident	120 Å²	120	44 Å²	44	52%	0.522	25%	0.245	S	C	.	.			trans	-59.1	143.5	160.8	-78.9	170.5	179.4	-177.4	0	110.7	E583 A591 N592	E583-K589 HydrophobicContact CG-CG 4.19Å; E583-K589 WeakPolarHBondContact OE1-CE 3.47Å; E583-K589 WeakPolarHBondContact OE1-CG 3.46Å; E583-K589 WeakPolarHBondContact OE2-CG 3.24Å; K589-A591 VanDerWaalsContact C-N 3.28Å; K589-A591 PolarHBondContact O-N 3.16Å; K589-N592 WeakPolarHBondContact O-CB 3.42Å; K589-N592 PolarHBondContact O-N 3.27Å
590	E	88.2	Confident	85.1	Confident	43 Å²	43	43.1 Å²	43.1	20%	0.201	24%	0.239	C	C	.	.	H	α-helix	trans	-50.5	-46.6	-180	-168	162.4	-139.7	0	0	112.4	W404 W578 N592 L593 I594	W404-E590 PolarHBondContact NE1-OE1 3.31Å; W578-E590 HydrophobicContact CB-CB 3.79Å; W578-E590 HydrophobicContact CB-CG 3.65Å; W578-E590 WeakPolarHBondContact CB-OE1 3.16Å; W578-E590 HydrophobicContact CG-CB 4.28Å; W578-E590 HydrophobicContact CG-CG 4.45Å; W578-E590 PolarHBondContact N-OE1 2.83Å; E590-N592 PolarHBondContact O-N 3.16Å; E590-N592 VanDerWaalsContact O-N 3.14Å; E590-L593 WeakPolarHBondContact O-CB 3.39Å; E590-L593 PolarHBondContact O-N 2.95Å; E590-I594 PolarHBondContact O-N 3.24Å
591	A	88.4	Confident	86.3	Confident	68 Å²	68	38.7 Å²	38.7	56%	0.562	21%	0.21	S	C	*	.	H	α-helix	trans	-58.1	-27.1	177.4	0	0	0	0	0	114.4	K589 L593 P595	K589-A591 VanDerWaalsContact C-N 3.28Å; K589-A591 PolarHBondContact O-N 3.16Å; A591-L593 VanDerWaalsContact C-N 3.3Å; A591-P595 WeakPolarHBondContact O-CD 3.42Å
592	N	89.6	Confident	87.6	Confident	43 Å²	43	38.6 Å²	38.6	23%	0.23	22%	0.218	C	C	.	.	H	α-helix	trans	-78.6	-16.6	178.3	-59.1	-7.2	0	0	0	112.4	R397 K589 E590	R397-N592 PolarHBondContact NE-O 3.46Å; R397-N592 PolarHBondContact NH2-O 3.46Å; K589-N592 WeakPolarHBondContact O-CB 3.42Å; K589-N592 PolarHBondContact O-N 3.27Å; E590-N592 PolarHBondContact O-N 3.16Å; E590-N592 VanDerWaalsContact O-N 3.14Å
593	L	93.4	Very high	88.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-92.9	-36.1	-179.7	-60	178.6	0	0	0	112.1	R397 A400 A401 W404 W578 Y588 E590 A591 L596 A597	R397-L593 HydrophobicContact CG-CD2 4.29Å; A400-L593 HydrophobicContact CB-CD1 3.98Å; A400-L593 HydrophobicContact CB-CD2 3.67Å; A401-L593 HydrophobicContact CB-CB 4.46Å; A401-L593 HydrophobicContact CB-CD2 4.34Å; W404-L593 HydrophobicContact CB-CD1 4.27Å; W578-L593 HydrophobicContact CD2-CD1 3.81Å; W578-L593 VanDerWaalsContact CE2-CD1 3.4Å; W578-L593 HydrophobicContact CE3-CD1 4.28Å; W578-L593 HydrophobicContact CG-CD1 4.34Å; W578-L593 HydrophobicContact CH2-CD1 4.02Å; W578-L593 HydrophobicContact CZ2-CD1 3.52Å; W578-L593 HydrophobicContact CZ3-CD1 4.37Å; Y588-L593 HydrophobicContact CD1-CD2 4.43Å; Y588-L593 HydrophobicContact CD2-CD2 4.21Å; Y588-L593 HydrophobicContact CG-CD2 3.84Å; E590-L593 WeakPolarHBondContact O-CB 3.39Å; E590-L593 PolarHBondContact O-N 2.95Å; A591-L593 VanDerWaalsContact C-N 3.3Å; L593-L596 PolarHBondContact O-N 3.12Å; L593-A597 PolarHBondContact O-N 3.32Å
594	I	92.1	Very high	89.2	Confident	43 Å²	43	36.4 Å²	36.4	22%	0.221	21%	0.208	C	C	.	.	H	α-helix	trans	-47	-49.5	-176.9	-68.1	173.2	0	0	0	113.3	W404 E590 L596 A597 L598 F699	W404-I594 HydrophobicContact CH2-CB 4.48Å; W404-I594 HydrophobicContact CH2-CD1 4.48Å; W404-I594 HydrophobicContact CH2-CG1 3.66Å; W404-I594 HydrophobicContact CZ2-CD1 4.29Å; W404-I594 HydrophobicContact CZ2-CG1 3.73Å; W404-I594 HydrophobicContact CZ3-CG1 4.2Å; E590-I594 PolarHBondContact O-N 3.24Å; I594-L596 VanDerWaalsContact C-N 3.34Å; I594-L596 PolarHBondContact O-N 3.41Å; I594-A597 PolarHBondContact O-N 3.13Å; I594-L598 HydrophobicContact CG2-CD1 3.84Å; I594-L598 HydrophobicContact CG2-CG 4.41Å; I594-L598 WeakPolarHBondContact O-CG 3.35Å; I594-L598 PolarHBondContact O-N 3.17Å; I594-F699 HydrophobicContact CD1-CZ 4.39Å; I594-F699 HydrophobicContact CG1-CZ 4.47Å; I594-F699 HydrophobicContact CG2-CD1 4.43Å; I594-F699 HydrophobicContact CG2-CE1 3.53Å; I594-F699 HydrophobicContact CG2-CZ 3.86Å
595	P	94	Very high	90.3	Very high	72 Å²	72	35.5 Å²	35.5	47%	0.468	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-35.2	-178.4	-22.9	34.9	0	0	0	113.7	A591 R599	A591-P595 WeakPolarHBondContact O-CD 3.42Å; P595-R599 PolarHBondContact O-N 3.26Å
596	L	96.5	Very high	91.3	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-74.6	-40	177.1	-178.5	55.7	0	0	0	110.8	I390 K393 R397 A401 L593 I594 L598 R599 Y600	I390-L596 HydrophobicContact CD1-CD1 4.25Å; I390-L596 HydrophobicContact CG1-CD1 4.03Å; I390-L596 HydrophobicContact CG2-CD1 4.45Å; K393-L596 HydrophobicContact CB-CD2 4.4Å; K393-L596 HydrophobicContact CG-CD1 4.2Å; R397-L596 HydrophobicContact CB-CD2 4.42Å; R397-L596 HydrophobicContact CG-CD2 4.01Å; A401-L596 HydrophobicContact CB-CB 4.04Å; A401-L596 HydrophobicContact CB-CD2 3.89Å; A401-L596 HydrophobicContact CB-CG 3.85Å; L593-L596 PolarHBondContact O-N 3.12Å; I594-L596 VanDerWaalsContact C-N 3.34Å; I594-L596 PolarHBondContact O-N 3.41Å; L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 3.43Å; L596-R599 PolarHBondContact O-N 2.97Å; L596-Y600 HydrophobicContact CD1-CD2 4.14Å; L596-Y600 HydrophobicContact CD1-CE2 3.99Å; L596-Y600 HydrophobicContact CD2-CE2 4.28Å; L596-Y600 HydrophobicContact CG-CD2 3.95Å; L596-Y600 HydrophobicContact CG-CE2 3.84Å; L596-Y600 WeakPolarHBondContact O-CD2 3.4Å; L596-Y600 PolarHBondContact O-N 3.3Å
597	A	95.3	Very high	91.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-38.5	174.4	0	0	0	0	0	112.5	A401 W404 L405 L593 I594 Y600 H601	A401-A597 HydrophobicContact CB-CB 4.44Å; W404-A597 HydrophobicContact CE3-CB 3.41Å; W404-A597 VanDerWaalsContact CE3-CB 3.41Å; W404-A597 HydrophobicContact CZ3-CB 3.43Å; W404-A597 VanDerWaalsContact CZ3-CB 3.43Å; L405-A597 HydrophobicContact CB-CB 4.14Å; L405-A597 WeakPolarHBondContact CD2-O 3.31Å; L593-A597 PolarHBondContact O-N 3.32Å; I594-A597 PolarHBondContact O-N 3.13Å; A597-Y600 WeakPolarHBondContact O-CB 3.39Å; A597-Y600 PolarHBondContact O-N 2.87Å; A597-H601 WeakPolarHBondContact O-CB 3.11Å; A597-H601 PolarHBondContact O-N 3.08Å
598	L	94.5	Very high	92.1	Very high	39 Å²	39	38.7 Å²	38.7	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-42.6	172.3	-74.5	164.5	0	0	0	111.9	I594 L596 H601 A602 F695 F699 I702	I594-L598 HydrophobicContact CG2-CD1 3.84Å; I594-L598 HydrophobicContact CG2-CG 4.41Å; I594-L598 WeakPolarHBondContact O-CG 3.35Å; I594-L598 PolarHBondContact O-N 3.17Å; L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 3.43Å; L598-H601 PolarHBondContact O-N 2.97Å; L598-A602 PolarHBondContact O-N 3.25Å; L598-F695 HydrophobicContact CD2-CE1 3.97Å; L598-F695 HydrophobicContact CD2-CZ 3.69Å; L598-F695 HydrophobicContact CG-CZ 4.33Å; L598-F699 HydrophobicContact CD1-CD1 4.29Å; L598-F699 HydrophobicContact CD2-CB 4.23Å; L598-F699 HydrophobicContact CD2-CD1 4.36Å; L598-F699 HydrophobicContact CD2-CD2 4.25Å; L598-F699 HydrophobicContact CD2-CG 3.99Å; L598-I702 HydrophobicContact CD2-CD1 3.8Å; L598-I702 HydrophobicContact CD2-CG1 4.4Å; L598-I702 HydrophobicContact CD2-CG2 4.28Å
599	R	95.8	Very high	92	Very high	94 Å²	94	38.6 Å²	38.6	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-42.9	173	-67.4	-173	-173.4	-170.7	6.7	111.5	D160 I390 P595 L596 A602 I603	D160-R599 IonicContact OD2-CZ 3.94Å; D160-R599 VanDerWaalsContact OD2-CZ 3.27Å; D160-R599 IonicContact OD2-NH1 3.99Å; D160-R599 PolarHBondContact OD2-NH1 3.46Å; D160-R599 IonicContact OD2-NH2 3.65Å; D160-R599 PolarHBondContact OD2-NH2 2.98Å; I390-R599 HydrophobicContact CD1-CB 3.96Å; I390-R599 HydrophobicContact CG1-CB 4.28Å; P595-R599 PolarHBondContact O-N 3.26Å; L596-R599 PolarHBondContact O-N 2.97Å; R599-A602 PolarHBondContact O-N 3.27Å; R599-I603 VanDerWaalsContact O-CD1 3.32Å; R599-I603 WeakPolarHBondContact O-CD1 3.35Å; R599-I603 WeakPolarHBondContact O-CG1 3.4Å; R599-I603 PolarHBondContact O-N 3.32Å
600	Y	97.3	Very high	91.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-47.6	174.4	-90.7	-73.7	0	0	0	112.8	L380 G384 I390 K398 A401 V402 L596 A597 A602 I603 A604	L380-Y600 WeakPolarHBondContact O-CD1 3.39Å; L380-Y600 WeakPolarHBondContact O-CE1 3.26Å; G384-Y600 VanDerWaalsContact CA-CE1 3.5Å; I390-Y600 HydrophobicContact CD1-CD1 3.99Å; I390-Y600 HydrophobicContact CD1-CD2 3.92Å; I390-Y600 HydrophobicContact CD1-CE1 4.24Å; I390-Y600 HydrophobicContact CD1-CE2 4.16Å; I390-Y600 HydrophobicContact CD1-CG 3.82Å; I390-Y600 HydrophobicContact CG2-CE1 3.97Å; I390-Y600 HydrophobicContact CG2-CE2 3.9Å; I390-Y600 WeakPolarHBondContact CG2-OH 3.16Å; K398-Y600 VanDerWaalsContact CB-OH 3.27Å; K398-Y600 WeakPolarHBondContact CB-OH 3.3Å; K398-Y600 VanDerWaalsContact CG-OH 3.31Å; K398-Y600 WeakPolarHBondContact CG-OH 3.39Å; A401-Y600 HydrophobicContact CB-CD2 4.43Å; A401-Y600 HydrophobicContact CB-CE2 4.45Å; V402-Y600 HydrophobicContact CG1-CD1 3.66Å; V402-Y600 HydrophobicContact CG1-CD2 3.82Å; V402-Y600 HydrophobicContact CG1-CE1 3.47Å; V402-Y600 VanDerWaalsContact CG1-CE1 3.47Å; V402-Y600 HydrophobicContact CG1-CE2 3.66Å; V402-Y600 HydrophobicContact CG1-CG 3.83Å; V402-Y600 VanDerWaalsContact CG1-CZ 3.48Å; L596-Y600 HydrophobicContact CD1-CD2 4.14Å; L596-Y600 HydrophobicContact CD1-CE2 3.99Å; L596-Y600 HydrophobicContact CD2-CE2 4.28Å; L596-Y600 HydrophobicContact CG-CD2 3.95Å; L596-Y600 HydrophobicContact CG-CE2 3.84Å; L596-Y600 WeakPolarHBondContact O-CD2 3.4Å; L596-Y600 PolarHBondContact O-N 3.3Å; A597-Y600 WeakPolarHBondContact O-CB 3.39Å; A597-Y600 PolarHBondContact O-N 2.87Å; Y600-A602 PolarHBondContact O-N 3.22Å; Y600-I603 PolarHBondContact O-N 3.16Å; Y600-A604 WeakPolarHBondContact O-CB 3.5Å; Y600-A604 PolarHBondContact O-N 3.34Å
601	H	95.1	Very high	91.5	Very high	7 Å²	7	34 Å²	34	3%	0.032	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-44.3	179.2	173.6	68.3	0	0	0	112.2	L405 A597 L598 I603 A604 L605 Y687 S691 F695	L405-H601 HydrophobicContact CD1-CB 4.27Å; L405-H601 HydrophobicContact CD2-CB 4.03Å; A597-H601 WeakPolarHBondContact O-CB 3.11Å; A597-H601 PolarHBondContact O-N 3.08Å; L598-H601 PolarHBondContact O-N 2.97Å; H601-I603 VanDerWaalsContact C-N 3.34Å; H601-I603 PolarHBondContact O-N 3.48Å; H601-A604 PolarHBondContact O-N 2.66Å; H601-L605 VanDerWaalsContact CE1-CD1 3.46Å; H601-L605 WeakPolarHBondContact CE1-CD1 3.42Å; H601-L605 WeakPolarHBondContact NE2-CD1 3.41Å; H601-L605 PolarHBondContact O-N 3.16Å; H601-Y687 AromaticContact ND1-CE1 3.83Å; H601-Y687 AromaticContact ND1-CZ 3.79Å; H601-Y687 PolarHBondContact ND1-OH 3.17Å; H601-S691 PolarHBondContact CE1-OG 3.48Å; H601-F695 HydrophobicContact CB-CE1 3.96Å; H601-F695 HydrophobicContact CB-CZ 4.4Å; H601-F695 AromaticContact CD2-CD1 3.96Å; H601-F695 AromaticContact CD2-CE1 3.52Å; H601-F695 AromaticContact CE1-CD1 3.9Å; H601-F695 AromaticContact CG-CD1 3.97Å; H601-F695 AromaticContact CG-CE1 3.55Å; H601-F695 AromaticContact ND1-CD1 3.94Å; H601-F695 AromaticContact NE2-CD1 3.91Å; H601-F695 AromaticContact NE2-CE1 3.95Å
602	A	93.6	Very high	91	Very high	59 Å²	59	32 Å²	32	49%	0.488	17%	0.169	S	C	.	.	H	α-helix	trans	-60.9	-40.8	177.5	0	0	0	0	0	112.5	L598 R599 Y600 R606	L598-A602 PolarHBondContact O-N 3.25Å; R599-A602 PolarHBondContact O-N 3.27Å; Y600-A602 PolarHBondContact O-N 3.22Å; A602-R606 VanDerWaalsContact O-CB 3.32Å; A602-R606 WeakPolarHBondContact O-CB 3.31Å; A602-R606 PolarHBondContact O-N 2.63Å
603	I	93.3	Very high	90.4	Very high	24 Å²	24	33.8 Å²	33.8	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-70.2	-42.7	177	-61.7	155.1	0	0	0	110.8	A383 H386 I390 R599 Y600 H601 L605 R606 L607	A383-I603 VanDerWaalsContact O-CG2 3.26Å; A383-I603 WeakPolarHBondContact O-CG2 3.36Å; H386-I603 HydrophobicContact CB-CG2 4.13Å; I390-I603 HydrophobicContact CD1-CD1 3.4Å; I390-I603 VanDerWaalsContact CD1-CD1 3.4Å; I390-I603 HydrophobicContact CG1-CD1 4.06Å; R599-I603 VanDerWaalsContact O-CD1 3.32Å; R599-I603 WeakPolarHBondContact O-CD1 3.35Å; R599-I603 WeakPolarHBondContact O-CG1 3.4Å; R599-I603 PolarHBondContact O-N 3.32Å; Y600-I603 PolarHBondContact O-N 3.16Å; H601-I603 VanDerWaalsContact C-N 3.34Å; H601-I603 PolarHBondContact O-N 3.48Å; I603-L605 PolarHBondContact O-N 2.87Å; I603-R606 WeakPolarHBondContact O-CB 3.05Å; I603-R606 PolarHBondContact O-N 2.91Å; I603-L607 HydrophobicContact CG2-CD1 3.94Å; I603-L607 HydrophobicContact CG2-CG 4.21Å; I603-L607 WeakPolarHBondContact O-CG 3.26Å; I603-L607 PolarHBondContact O-N 3.49Å
604	A	93.2	Very high	89.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-50.5	176.2	0	0	0	0	0	112.1	F379 L380 Y600 H601 R606 L607 I608 Y687	F379-A604 HydrophobicContact CE1-CB 3.76Å; F379-A604 HydrophobicContact CZ-CB 4.02Å; L380-A604 HydrophobicContact CD2-CB 3.92Å; Y600-A604 WeakPolarHBondContact O-CB 3.5Å; Y600-A604 PolarHBondContact O-N 3.34Å; H601-A604 PolarHBondContact O-N 2.66Å; A604-R606 VanDerWaalsContact C-N 3.34Å; A604-R606 PolarHBondContact O-N 3.16Å; A604-L607 PolarHBondContact O-N 2.9Å; A604-I608 VanDerWaalsContact O-CG1 3.31Å; A604-I608 WeakPolarHBondContact O-CG1 3.45Å; A604-I608 PolarHBondContact O-N 2.85Å; A604-I608 VanDerWaalsContact O-N 3.11Å; A604-Y687 HydrophobicContact CB-CD1 4.45Å; A604-Y687 HydrophobicContact CB-CE1 3.77Å
605	L	91.7	Very high	87.5	Confident	19 Å²	19	34.1 Å²	34.1	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-38.9	175.3	-72.1	-175.2	0	0	0	112.3	H601 I603 A609 Y687 P688 F692	H601-L605 VanDerWaalsContact CE1-CD1 3.46Å; H601-L605 WeakPolarHBondContact CE1-CD1 3.42Å; H601-L605 WeakPolarHBondContact NE2-CD1 3.41Å; H601-L605 PolarHBondContact O-N 3.16Å; I603-L605 PolarHBondContact O-N 2.87Å; L605-A609 VanDerWaalsContact O-CB 3.23Å; L605-A609 WeakPolarHBondContact O-CB 3.44Å; L605-A609 PolarHBondContact O-N 3.25Å; L605-Y687 HydrophobicContact CD2-CD1 4.44Å; L605-Y687 HydrophobicContact CD2-CE1 4.37Å; L605-P688 HydrophobicContact CD2-CB 4.3Å; L605-P688 HydrophobicContact CD2-CG 4.43Å; L605-F692 HydrophobicContact CD1-CE2 3.77Å; L605-F692 HydrophobicContact CD1-CZ 4.26Å; L605-F692 HydrophobicContact CD2-CE2 4.39Å
606	R	89.4	Confident	85.7	Confident	143 Å²	143	34.6 Å²	34.6	54%	0.54	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-48.2	176.3	178.4	178.2	171.5	179.8	-3.7	111.8	A602 I603 A604 A609 E610	A602-R606 VanDerWaalsContact O-CB 3.32Å; A602-R606 WeakPolarHBondContact O-CB 3.31Å; A602-R606 PolarHBondContact O-N 2.63Å; I603-R606 WeakPolarHBondContact O-CB 3.05Å; I603-R606 PolarHBondContact O-N 2.91Å; A604-R606 VanDerWaalsContact C-N 3.34Å; A604-R606 PolarHBondContact O-N 3.16Å; R606-A609 PolarHBondContact O-N 3.48Å; R606-E610 HydrophobicContact CG-CG 4.43Å; R606-E610 IonicContact CZ-OE1 3.11Å; R606-E610 IonicContact NE-OE1 3.22Å; R606-E610 PolarHBondContact NE-OE1 3.49Å; R606-E610 IonicContact NH2-OE1 2.83Å; R606-E610 PolarHBondContact NH2-OE1 3.19Å; R606-E610 VanDerWaalsContact NH2-OE1 3.09Å; R606-E610 WeakPolarHBondContact O-CB 3.17Å; R606-E610 WeakPolarHBondContact O-CG 3.27Å; R606-E610 PolarHBondContact O-N 2.88Å
607	L	89.2	Confident	83.4	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-42	-179.1	-65.1	171.8	0	0	0	111.5	A383 H386 I603 A604 E610 V611 R669 V672	A383-L607 HydrophobicContact CB-CD1 3.84Å; H386-L607 HydrophobicContact CB-CD1 4.18Å; H386-L607 HydrophobicContact CB-CD2 4.26Å; I603-L607 HydrophobicContact CG2-CD1 3.94Å; I603-L607 HydrophobicContact CG2-CG 4.21Å; I603-L607 WeakPolarHBondContact O-CG 3.26Å; I603-L607 PolarHBondContact O-N 3.49Å; A604-L607 PolarHBondContact O-N 2.9Å; L607-E610 PolarHBondContact O-N 3.31Å; L607-V611 PolarHBondContact O-N 3.06Å; L607-V611 VanDerWaalsContact O-N 3.11Å; L607-R669 HydrophobicContact CB-CB 4.44Å; L607-R669 HydrophobicContact CB-CG 4.26Å; L607-R669 HydrophobicContact CD2-CB 4.33Å; L607-R669 HydrophobicContact CD2-CG 3.73Å; L607-V672 HydrophobicContact CB-CG2 3.73Å
608	I	88.6	Confident	81.1	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.7	-64.4	166.2	0	0	0	110.6	F379 A604 V611 A612 V672 V683 A684 Y687 P688 L716	F379-I608 HydrophobicContact CE1-CD1 4.48Å; F379-I608 HydrophobicContact CZ-CD1 4.11Å; F379-I608 HydrophobicContact CZ-CG1 4.31Å; A604-I608 VanDerWaalsContact O-CG1 3.31Å; A604-I608 WeakPolarHBondContact O-CG1 3.45Å; A604-I608 PolarHBondContact O-N 2.85Å; A604-I608 VanDerWaalsContact O-N 3.11Å; I608-V611 PolarHBondContact O-N 3.36Å; I608-A612 WeakPolarHBondContact O-CB 3.24Å; I608-A612 PolarHBondContact O-N 3.01Å; I608-V672 HydrophobicContact CG1-CG1 4.2Å; I608-V672 HydrophobicContact CG1-CG2 4.18Å; I608-V683 HydrophobicContact CD1-CG1 4.29Å; I608-A684 HydrophobicContact CG2-CB 4.43Å; I608-Y687 HydrophobicContact CD1-CD1 4.03Å; I608-P688 HydrophobicContact CD1-CG 4.14Å; I608-P688 HydrophobicContact CG2-CG 4.02Å; I608-L716 HydrophobicContact CG2-CD1 4.02Å; I608-L716 HydrophobicContact CG2-CD2 4.29Å
609	A	86	Confident	79.1	Confident	15 Å²	15	41.6 Å²	41.6	12%	0.124	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-38.3	177.1	0	0	0	0	0	113.2	L605 R606 R613 F711 V712 L716	L605-A609 VanDerWaalsContact O-CB 3.23Å; L605-A609 WeakPolarHBondContact O-CB 3.44Å; L605-A609 PolarHBondContact O-N 3.25Å; R606-A609 PolarHBondContact O-N 3.48Å; A609-R613 VanDerWaalsContact O-CB 3.24Å; A609-R613 WeakPolarHBondContact O-CB 3.18Å; A609-R613 PolarHBondContact O-N 2.57Å; A609-F711 HydrophobicContact CB-CD1 4.03Å; A609-F711 HydrophobicContact CB-CE1 4.25Å; A609-F711 WeakPolarHBondContact O-CE1 3.47Å; A609-V712 HydrophobicContact CB-CG2 4.19Å; A609-L716 HydrophobicContact CB-CD1 4.1Å
610	E	83.3	Confident	76.6	Confident	31 Å²	31	39.4 Å²	39.4	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-42.5	174.7	-77.7	178.3	-174.9	0	0	111.4	R606 L607 G614 R669	R606-E610 HydrophobicContact CG-CG 4.43Å; R606-E610 IonicContact CZ-OE1 3.11Å; R606-E610 IonicContact NE-OE1 3.22Å; R606-E610 PolarHBondContact NE-OE1 3.49Å; R606-E610 IonicContact NH2-OE1 2.83Å; R606-E610 PolarHBondContact NH2-OE1 3.19Å; R606-E610 VanDerWaalsContact NH2-OE1 3.09Å; R606-E610 WeakPolarHBondContact O-CB 3.17Å; R606-E610 WeakPolarHBondContact O-CG 3.27Å; R606-E610 PolarHBondContact O-N 2.88Å; L607-E610 PolarHBondContact O-N 3.31Å; E610-G614 PolarHBondContact O-N 3.34Å; E610-R669 HydrophobicContact CB-CG 4.49Å; E610-R669 IonicContact OE2-CZ 3.62Å; E610-R669 IonicContact OE2-NE 2.73Å; E610-R669 PolarHBondContact OE2-NE 2.99Å; E610-R669 IonicContact OE2-NH2 2.77Å; E610-R669 PolarHBondContact OE2-NH2 3.19Å
611	V	81	Confident	74.2	Confident	36 Å²	36	43.4 Å²	43.4	22%	0.218	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-48.2	176.1	170	0	0	0	0	112.3	L607 I608 R613 G614 G615 R669 V672	L607-V611 PolarHBondContact O-N 3.06Å; L607-V611 VanDerWaalsContact O-N 3.11Å; I608-V611 PolarHBondContact O-N 3.36Å; V611-R613 VanDerWaalsContact C-N 3.3Å; V611-R613 PolarHBondContact O-N 2.7Å; V611-G614 PolarHBondContact O-N 3.11Å; V611-G614 VanDerWaalsContact O-N 3.12Å; V611-G615 PolarHBondContact O-N 3.34Å; V611-R669 HydrophobicContact CG2-CB 3.55Å; V611-R669 HydrophobicContact CG2-CG 3.82Å; V611-V672 HydrophobicContact CB-CG1 4.38Å; V611-V672 HydrophobicContact CG1-CG1 4.42Å; V611-V672 HydrophobicContact CG2-CB 4.06Å; V611-V672 HydrophobicContact CG2-CG1 4.32Å; V611-V672 HydrophobicContact CG2-CG2 4.33Å
612	A	78.9	Confident	71.8	Confident	25 Å²	25	45.2 Å²	45.2	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-39	178.6	0	0	0	0	0	112	I608 G615 H616 F711 L716	I608-A612 WeakPolarHBondContact O-CB 3.24Å; I608-A612 PolarHBondContact O-N 3.01Å; A612-G615 PolarHBondContact O-N 2.98Å; A612-H616 PolarHBondContact O-CD2 2.85Å; A612-H616 PolarHBondContact O-N 3.33Å; A612-F711 HydrophobicContact CB-CE1 4.02Å; A612-F711 HydrophobicContact CB-CZ 4.11Å; A612-L716 HydrophobicContact CB-CD2 3.8Å
613	R	76.2	Confident	69.7	Low	82 Å²	82	47.8 Å²	47.8	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-39.9	174	-170.3	-179.2	68.8	87.7	-3.8	112	A609 V611 H616 L617 C659 F711	A609-R613 VanDerWaalsContact O-CB 3.24Å; A609-R613 WeakPolarHBondContact O-CB 3.18Å; A609-R613 PolarHBondContact O-N 2.57Å; V611-R613 VanDerWaalsContact C-N 3.3Å; V611-R613 PolarHBondContact O-N 2.7Å; R613-H616 PolarHBondContact O-N 3.03Å; R613-L617 HydrophobicContact CG-CD1 4.33Å; R613-L617 WeakPolarHBondContact O-CG 3.34Å; R613-L617 PolarHBondContact O-N 3.1Å; R613-L617 VanDerWaalsContact O-N 3.12Å; R613-C659 VanDerWaalsContact CZ-O 3.31Å; R613-C659 PolarHBondContact NH1-O 3.31Å; R613-C659 PolarHBondContact NH2-O 3.01Å; R613-F711 HydrophobicContact CB-CE1 4.23Å; R613-F711 HydrophobicContact CB-CE2 4.07Å; R613-F711 HydrophobicContact CB-CZ 3.79Å; R613-F711 HydrophobicContact CG-CE2 4.27Å; R613-F711 HydrophobicContact CG-CZ 4.48Å
614	G	66.9	Low	67.6	Low	11 Å²	11	51.6 Å²	51.6	11%	0.113	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-44.8	173.5	0	0	0	0	0	112.5	E610 V611 L617 A618	E610-G614 PolarHBondContact O-N 3.34Å; V611-G614 PolarHBondContact O-N 3.11Å; V611-G614 VanDerWaalsContact O-N 3.12Å; G614-L617 PolarHBondContact O-N 3.33Å; G614-A618 PolarHBondContact O-N 3.38Å
615	G	58.4	Low	65.1	Low	38 Å²	38	55.7 Å²	55.7	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-46.9	175.2	0	0	0	0	0	113	V611 A612 L617 A618 V619	V611-G615 PolarHBondContact O-N 3.34Å; A612-G615 PolarHBondContact O-N 2.98Å; G615-L617 PolarHBondContact O-N 2.83Å; G615-A618 PolarHBondContact O-N 2.86Å; G615-V619 WeakPolarHBondContact O-CG2 3.09Å; G615-V619 PolarHBondContact O-N 2.92Å
616	H	54.9	Low	62.6	Low	82 Å²	82	61.1 Å²	61.1	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-38.3	177.9	-76.4	-42.3	0	0	0	113.6	A612 R613 V619 A620 R719	A612-H616 PolarHBondContact O-CD2 2.85Å; A612-H616 PolarHBondContact O-N 3.33Å; R613-H616 PolarHBondContact O-N 3.03Å; H616-V619 PolarHBondContact O-N 3.45Å; H616-A620 WeakPolarHBondContact O-CB 3.43Å; H616-A620 PolarHBondContact O-N 3.23Å; H616-R719 PolarHBondContact CE1-NH1 2.99Å; H616-R719 PolarHBondContact NE2-NH1 3.35Å
617	L	49.7	Very low	59.9	Low	66 Å²	66	61.3 Å²	61.3	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-37.8	175.7	-72.1	167.8	0	0	0	112.1	R613 G614 G615 A620 N621 Y666	R613-L617 HydrophobicContact CG-CD1 4.33Å; R613-L617 WeakPolarHBondContact O-CG 3.34Å; R613-L617 PolarHBondContact O-N 3.1Å; R613-L617 VanDerWaalsContact O-N 3.12Å; G614-L617 PolarHBondContact O-N 3.33Å; G615-L617 PolarHBondContact O-N 2.83Å; L617-A620 PolarHBondContact O-N 3.5Å; L617-N621 WeakPolarHBondContact O-CB 3.11Å; L617-N621 VanDerWaalsContact O-CG 3.29Å; L617-N621 PolarHBondContact O-N 2.55Å; L617-N621 PolarHBondContact O-OD1 2.97Å; L617-Y666 VanDerWaalsContact C-OH 3.26Å; L617-Y666 HydrophobicContact CB-CD1 4.46Å; L617-Y666 HydrophobicContact CB-CE1 3.44Å; L617-Y666 VanDerWaalsContact CB-CE1 3.44Å; L617-Y666 HydrophobicContact CD1-CE1 4.1Å; L617-Y666 HydrophobicContact CG-CE1 4.42Å; L617-Y666 PolarHBondContact O-OH 3.28Å
618	A	46.8	Very low	56.9	Low	43 Å²	43	66.2 Å²	66.2	36%	0.355	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-43.7	174.2	0	0	0	0	0	112.2	G614 G615 A622 Y666	G614-A618 PolarHBondContact O-N 3.38Å; G615-A618 PolarHBondContact O-N 2.86Å; A618-A622 PolarHBondContact O-N 3.18Å; A618-A622 VanDerWaalsContact O-N 3.17Å; A618-Y666 HydrophobicContact CB-CD2 4.46Å; A618-Y666 HydrophobicContact CB-CE2 3.91Å; A618-Y666 PolarHBondContact N-OH 3.38Å
619	V	51.2	Low	54.2	Low	86 Å²	86	71.9 Å²	71.9	52%	0.521	43%	0.43	S	S	.	.	H	α-helix	trans	-66.2	-43.3	176	173.8	0	0	0	0	111.7	G615 H616 N621 A622 I623	G615-V619 WeakPolarHBondContact O-CG2 3.09Å; G615-V619 PolarHBondContact O-N 2.92Å; H616-V619 PolarHBondContact O-N 3.45Å; V619-N621 PolarHBondContact O-N 2.92Å; V619-A622 PolarHBondContact O-N 2.92Å; V619-I623 HydrophobicContact CG1-CD1 3.85Å; V619-I623 WeakPolarHBondContact O-CG1 3.18Å; V619-I623 PolarHBondContact O-N 2.76Å
620	A	44.1	Very low	51.4	Low	48 Å²	48	78.5 Å²	78.5	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-44.8	177.3	0	0	0	0	0	111.8	H616 L617 A622 I623 T624	H616-A620 WeakPolarHBondContact O-CB 3.43Å; H616-A620 PolarHBondContact O-N 3.23Å; L617-A620 PolarHBondContact O-N 3.5Å; A620-A622 PolarHBondContact O-N 3.49Å; A620-I623 PolarHBondContact O-N 3.12Å; A620-T624 PolarHBondContact O-N 3.06Å; A620-T624 PolarHBondContact O-OG1 3.25Å
621	N	45.9	Very low	48.7	Very low	89 Å²	89	84.3 Å²	84.3	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-42.4	177.5	-74.2	9.9	0	0	0	112	L617 V619 T624 S625 Y666	L617-N621 WeakPolarHBondContact O-CB 3.11Å; L617-N621 VanDerWaalsContact O-CG 3.29Å; L617-N621 PolarHBondContact O-N 2.55Å; L617-N621 PolarHBondContact O-OD1 2.97Å; V619-N621 PolarHBondContact O-N 2.92Å; N621-T624 WeakPolarHBondContact CA-OG1 3.15Å; N621-T624 PolarHBondContact O-N 3.06Å; N621-T624 PolarHBondContact O-OG1 2.98Å; N621-S625 PolarHBondContact O-N 3.2Å; N621-S625 PolarHBondContact O-OG 3.39Å; N621-Y666 PolarHBondContact ND2-OH 3.45Å; N621-Y666 VanDerWaalsContact ND2-OH 3.13Å
622	A	45.9	Very low	46.3	Very low	45 Å²	45	87.8 Å²	87.8	37%	0.372	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-43.3	177	0	0	0	0	0	112.3	A618 V619 A620 T624 S625 D626	A618-A622 PolarHBondContact O-N 3.18Å; A618-A622 VanDerWaalsContact O-N 3.17Å; V619-A622 PolarHBondContact O-N 2.92Å; A620-A622 PolarHBondContact O-N 3.49Å; A622-T624 PolarHBondContact O-N 2.77Å; A622-S625 WeakPolarHBondContact CA-OG 3.29Å; A622-S625 PolarHBondContact O-N 2.95Å; A622-S625 VanDerWaalsContact O-N 3.15Å; A622-S625 PolarHBondContact O-OG 3.45Å; A622-D626 PolarHBondContact O-N 3.25Å; A622-D626 VanDerWaalsContact O-N 3.11Å
623	I	49.3	Very low	43.8	Very low	112 Å²	112	92.6 Å²	92.6	57%	0.574	55%	0.546	S	S	*	.	H	α-helix	trans	-63.3	-32.7	175.7	-65.8	166.9	0	0	0	111.3	V619 A620	V619-I623 HydrophobicContact CG1-CD1 3.85Å; V619-I623 WeakPolarHBondContact O-CG1 3.18Å; V619-I623 PolarHBondContact O-N 2.76Å; A620-I623 PolarHBondContact O-N 3.12Å
624	T	48.6	Very low	41.7	Very low	104 Å²	104	98.1 Å²	98.1	64%	0.638	57%	0.573	S	S	*	*	H	α-helix	trans	-77.6	-23.2	174.5	55.3	0	0	0	0	114.6	A620 N621 A622	A620-T624 PolarHBondContact O-N 3.06Å; A620-T624 PolarHBondContact O-OG1 3.25Å; N621-T624 WeakPolarHBondContact CA-OG1 3.15Å; N621-T624 PolarHBondContact O-N 3.06Å; N621-T624 PolarHBondContact O-OG1 2.98Å; A622-T624 PolarHBondContact O-N 2.77Å
625	S	41.8	Very low	39.9	Very low	86 Å²	86	105.4 Å²	105.4	60%	0.601	60%	0.604	S	S	*	*	H	α-helix	trans	-81	-26.4	173.9	56	0	0	0	0	113.4	N621 A622 Q627	N621-S625 PolarHBondContact O-N 3.2Å; N621-S625 PolarHBondContact O-OG 3.39Å; A622-S625 WeakPolarHBondContact CA-OG 3.29Å; A622-S625 PolarHBondContact O-N 2.95Å; A622-S625 VanDerWaalsContact O-N 3.15Å; A622-S625 PolarHBondContact O-OG 3.45Å; S625-Q627 VanDerWaalsContact C-N 3.35Å; S625-Q627 PolarHBondContact O-N 2.92Å
626	D	39.5	Very low	38.6	Very low	134 Å²	134	110.1 Å²	110.1	72%	0.717	62%	0.62	S	S	*	*	S	Bend	trans	-88.2	6	-176.3	-73.5	-0.9	0	0	0	114.1	A622 P628	A622-D626 PolarHBondContact O-N 3.25Å; A622-D626 VanDerWaalsContact O-N 3.11Å; D626-P628 WeakPolarHBondContact O-CD 3.17Å
627	Q	31.3	Very low	37.4	Very low	146 Å²	146	112.7 Å²	112.7	68%	0.682	64%	0.637	S	S	*	*	S	Bend	trans	-74.7	121.5	168.8	-72.6	-154.1	1.1	0	0	110.9	S625 T629	S625-Q627 VanDerWaalsContact C-N 3.35Å; S625-Q627 PolarHBondContact O-N 2.92Å; Q627-T629 PolarHBondContact O-N 3.38Å
628	P	27.7	Very low	36.5	Very low	108 Å²	108	116.4 Å²	116.4	70%	0.701	66%	0.657	S	S	*	*			trans	-70.6	107.2	-179.9	28.3	-33.9	0	0	0	110.4	D626 N630	D626-P628 WeakPolarHBondContact O-CD 3.17Å; P628-N630 PolarHBondContact O-N 3.4Å
629	T	30	Very low	35.7	Very low	123 Å²	123	118.6 Å²	118.6	76%	0.755	68%	0.675	S	S	*	*			trans	-66.1	97.8	172.9	41.3	0	0	0	0	109.8	Q627 L631	Q627-T629 PolarHBondContact O-N 3.38Å; T629-L631 VanDerWaalsContact C-N 3.29Å; T629-L631 PolarHBondContact O-N 2.95Å
630	N	28.5	Very low	34.8	Very low	154 Å²	154	122.5 Å²	122.5	82%	0.824	69%	0.693	S	S	*	*			trans	-64.9	86.9	175.2	-87.1	-63.4	0	0	0	110.6	P628 S632	P628-N630 PolarHBondContact O-N 3.4Å; N630-S632 VanDerWaalsContact C-N 3.32Å; N630-S632 PolarHBondContact O-N 2.83Å
631	L	27.2	Very low	34	Very low	152 Å²	152	126.1 Å²	126.1	80%	0.796	71%	0.71	S	S	*	*			trans	-67.3	86.2	173.7	-77.5	164.7	0	0	0	110.3	T629 V633	T629-L631 VanDerWaalsContact C-N 3.29Å; T629-L631 PolarHBondContact O-N 2.95Å; L631-V633 PolarHBondContact O-N 3.48Å
632	S	29.7	Very low	33.2	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	73%	0.725	S	S	*	*			trans	-70.9	91.6	171.4	62.6	0	0	0	0	110	N630 K634	N630-S632 VanDerWaalsContact C-N 3.32Å; N630-S632 PolarHBondContact O-N 2.83Å; S632-K634 PolarHBondContact O-N 3.06Å; S632-K634 VanDerWaalsContact O-N 3.12Å
633	V	26.4	Very low	32.2	Very low	126 Å²	126	136.3 Å²	136.3	76%	0.764	75%	0.749	S	S	*	*			trans	-60.7	114	175.9	178.7	0	0	0	0	109.8	L631	L631-V633 PolarHBondContact O-N 3.48Å
634	K	32.6	Very low	31.3	Very low	199 Å²	199	137.2 Å²	137.2	87%	0.865	75%	0.754	S	S	*	*			trans	-124.7	122.7	159	-80.4	-169.5	172.9	-178.1	0	109.3	S632	S632-K634 PolarHBondContact O-N 3.06Å; S632-K634 VanDerWaalsContact O-N 3.12Å
635	Q	28	Very low	30.3	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.762	77%	0.765	S	S	*	*			trans	-74.4	140.6	175.6	-63.1	155.5	-34.7	0	0	109.3
636	N	32.1	Very low	29.8	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	77%	0.768	S	S	*	*				174.9	111.3	117.1	-84.9	-12.1	0	0	0	111.8
637	N	29.3	Very low	29.2	Very low	135 Å²	135	141.6 Å²	141.6	72%	0.722	77%	0.77	S	S	*	*				55.7	152.4	129.1	-64	19	0	0	0	123.8
638	D	31.4	Very low	29.1	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	77%	0.773	S	S	*	*			trans	72.2	73.7	151.2	-53.8	-23.5	0	0	0	119.6
639	A	29.6	Very low	29.1	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	78%	0.781	S	S	*	*				24.4	118.1	126.1	0	0	0	0	0	119.5
640	N	31.4	Very low	29	Very low	168 Å²	168	144.1 Å²	144.1	90%	0.898	78%	0.776	S	S	*	*				-154.6	160.4	112.7	-110.1	-56.4	0	0	0	112.7
641	V	28.9	Very low	29	Very low	123 Å²	123	143 Å²	143	75%	0.745	78%	0.777	S	S	*	*			trans	-89.8	132.6	-179.9	173.3	0	0	0	0	110.3
642	H	28.2	Very low	29.1	Very low	173 Å²	173	139.9 Å²	139.9	80%	0.801	77%	0.768	S	S	*	*			trans	-156.5	126.7	143.7	-103.5	-73.4	0	0	0	109.9
643	M	24.9	Very low	29	Very low	175 Å²	175	140.5 Å²	140.5	86%	0.862	76%	0.763	S	S	*	*			trans	-83.9	127.8	160.7	-63	-161.5	-42	0	0	108.3
644	I	29.4	Very low	29	Very low	132 Å²	132	144.1 Å²	144.1	68%	0.677	77%	0.771	S	S	*	*			trans	-141.5	114.5	168.5	-65.4	-177.7	0	0	0	106.5	V646	I644-V646 HydrophobicContact CG2-CG2 3.81Å; I644-V646 PolarHBondContact O-N 3.26Å
645	D	29.3	Very low	28.9	Very low	165 Å²	165	141.8 Å²	141.8	88%	0.882	76%	0.763	S	S	*	*			trans	-84	98.7	169.9	-74.7	-59.7	0	0	0	109.7
646	V	29.3	Very low	28.9	Very low	109 Å²	109	141 Å²	141	66%	0.661	76%	0.764	S	S	*	*			trans	-149.5	167.3	157.7	-147.3	0	0	0	0	109.6	I644	I644-V646 HydrophobicContact CG2-CG2 3.81Å; I644-V646 PolarHBondContact O-N 3.26Å
647	D	27.8	Very low	28.8	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	77%	0.766	S	S	*	*			trans	83	130.4	159.5	-57.4	-29.3	0	0	0	118.4
648	V	29.1	Very low	28.9	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	77%	0.773	S	S	*	*			cis	-158	154.9	-21.1	103.8	0	0	0	0	108.1
649	E	27.7	Very low	28.9	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	76%	0.763	S	S	*	*			trans	-77.4	125.9	171.8	-68	-166	151.3	0	0	111.5	P651	E649-P651 WeakPolarHBondContact O-CD 3.38Å
650	D	27.3	Very low	29	Very low	123 Å²	123	141 Å²	141	66%	0.658	75%	0.752	S	S	*	*			trans	-105.4	102.3	169.2	-177.1	-11	0	0	0	110	S652	D650-S652 VanDerWaalsContact C-N 3.27Å; D650-S652 VanDerWaalsContact CG-OG 3.29Å; D650-S652 PolarHBondContact O-N 3.43Å; D650-S652 WeakPolarHBondContact OD1-CB 3.21Å; D650-S652 PolarHBondContact OD1-N 3.4Å; D650-S652 PolarHBondContact OD1-OG 2.91Å; D650-S652 PolarHBondContact OD2-OG 2.93Å
651	P	28.8	Very low	29.2	Very low	130 Å²	130	135 Å²	135	84%	0.844	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	52.9	-174	36.4	-37.3	0	0	0	112.7	E649	E649-P651 WeakPolarHBondContact O-CD 3.38Å
652	S	29.2	Very low	29.3	Very low	86 Å²	86	135.9 Å²	135.9	60%	0.601	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	-12.3	-171.6	67.6	0	0	0	0	117.8	D650	D650-S652 VanDerWaalsContact C-N 3.27Å; D650-S652 VanDerWaalsContact CG-OG 3.29Å; D650-S652 PolarHBondContact O-N 3.43Å; D650-S652 WeakPolarHBondContact OD1-CB 3.21Å; D650-S652 PolarHBondContact OD1-N 3.4Å; D650-S652 PolarHBondContact OD1-OG 2.91Å; D650-S652 PolarHBondContact OD2-OG 2.93Å
653	N	27.9	Very low	29.4	Very low	123 Å²	123	129.6 Å²	129.6	66%	0.658	71%	0.713	S	S	*	*			trans	-122.5	87.2	-170.3	-156.9	-9.6	0	0	0	115.2	Q655	N653-Q655 PolarHBondContact O-N 3.31Å; N653-Q655 WeakPolarHBondContact OD1-CG 3.28Å
654	Q	27.4	Very low	29.7	Very low	202 Å²	202	123.8 Å²	123.8	94%	0.944	70%	0.698	S	S	*	*			trans	-77.5	71.3	175.7	-67	-177	-14.5	0	0	112.7
655	Q	29.1	Very low	30.3	Very low	150 Å²	150	121.5 Å²	121.5	70%	0.701	69%	0.685	S	S	*	*			trans	-130.3	120.8	176.9	-68.9	-168.4	0.8	0	0	114.7	N653	N653-Q655 PolarHBondContact O-N 3.31Å; N653-Q655 WeakPolarHBondContact OD1-CG 3.28Å
656	N	29	Very low	31.1	Very low	145 Å²	145	118 Å²	118	78%	0.775	66%	0.66	S	S	*	*			trans	62.6	87	165.3	-60.8	-41.4	0	0	0	117.4	R658	N656-R658 PolarHBondContact O-N 3.05Å
657	S	29.1	Very low	32.1	Very low	112 Å²	112	114.6 Å²	114.6	78%	0.783	64%	0.638	S	S	*	*			trans	-58.5	100.4	159.2	45	0	0	0	0	110.8	C659	S657-C659 PolarHBondContact O-N 2.93Å
658	R	33	Very low	33.5	Very low	228 Å²	228	114.8 Å²	114.8	86%	0.86	63%	0.628	S	S	*	*			trans	-59.2	104	179	-76.5	-178.2	170.9	176.9	-2.8	110.4	N656 V660	N656-R658 PolarHBondContact O-N 3.05Å; R658-V660 HydrophobicContact CB-CG2 4.18Å; R658-V660 PolarHBondContact O-N 2.99Å
659	C	31.2	Very low	35.6	Very low	84 Å²	84	109.4 Å²	109.4	57%	0.568	59%	0.594	S	S	*	*			trans	-71.2	74.2	173.1	-69.1	0	0	0	0	110.8	R613 S657	R613-C659 VanDerWaalsContact CZ-O 3.31Å; R613-C659 PolarHBondContact NH1-O 3.31Å; R613-C659 PolarHBondContact NH2-O 3.01Å; S657-C659 PolarHBondContact O-N 2.93Å
660	V	30.6	Very low	38.1	Very low	84 Å²	84	101.2 Å²	101.2	51%	0.509	56%	0.556	S	S	.	*			trans	-105.2	130.3	173.9	171.7	0	0	0	0	107.1	R658	R658-V660 HydrophobicContact CB-CG2 4.18Å; R658-V660 PolarHBondContact O-N 2.99Å
661	S	35.7	Very low	40.8	Very low	43 Å²	43	95.4 Å²	95.4	30%	0.301	53%	0.525	S	S	.	.			trans	-65.2	149.1	176.1	-166.9	0	0	0	0	109.9	G663 G664	S661-G663 PolarHBondContact O-N 2.92Å; S661-G664 PolarHBondContact O-N 3.17Å
662	P	30.3	Very low	43.5	Very low	140 Å²	140	89.2 Å²	89.2	91%	0.909	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-5.6	-170.8	-29.5	37	0	0	0	118.1
663	G	31.6	Very low	46	Very low	41 Å²	41	87.5 Å²	87.5	42%	0.423	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.3	169.2	0	0	0	0	0	115.8	S661 H665	S661-G663 PolarHBondContact O-N 2.92Å; G663-H665 PolarHBondContact O-CD2 3.31Å; G663-H665 PolarHBondContact O-NE2 3.17Å
664	G	31.4	Very low	48.6	Very low	53 Å²	53	83.2 Å²	83.2	55%	0.546	45%	0.446	S	S	.	.	S	Bend	trans	93.9	-3	179.4	0	0	0	0	0	116.4	S661	S661-G664 PolarHBondContact O-N 3.17Å
665	H	40.9	Very low	51.4	Low	84 Å²	84	73.8 Å²	73.8	39%	0.389	40%	0.402	S	S	.	.	S	Bend	trans	-107.9	157.9	-164.8	-64.1	-81.2	0	0	0	115.2	N46 G663 L667	N46-H665 VanDerWaalsContact CG-CG 3.48Å; N46-H665 VanDerWaalsContact CG-ND1 3.25Å; N46-H665 PolarHBondContact ND2-CD2 3Å; N46-H665 PolarHBondContact ND2-ND1 2.72Å; N46-H665 PolarHBondContact ND2-NE2 2.74Å; N46-H665 PolarHBondContact OD1-CE1 3.21Å; N46-H665 PolarHBondContact OD1-ND1 3.34Å; G663-H665 PolarHBondContact O-CD2 3.31Å; G663-H665 PolarHBondContact O-NE2 3.17Å; H665-L667 PolarHBondContact O-N 3.45Å
666	Y	46.5	Very low	53.6	Low	91 Å²	91	68.6 Å²	68.6	36%	0.357	38%	0.382	S	S	.	.			trans	-69.3	117.6	169.3	-65.2	-52.6	0	0	0	110.4	L617 A618 N621 R668	L617-Y666 VanDerWaalsContact C-OH 3.26Å; L617-Y666 HydrophobicContact CB-CD1 4.46Å; L617-Y666 HydrophobicContact CB-CE1 3.44Å; L617-Y666 VanDerWaalsContact CB-CE1 3.44Å; L617-Y666 HydrophobicContact CD1-CE1 4.1Å; L617-Y666 HydrophobicContact CG-CE1 4.42Å; L617-Y666 PolarHBondContact O-OH 3.28Å; A618-Y666 HydrophobicContact CB-CD2 4.46Å; A618-Y666 HydrophobicContact CB-CE2 3.91Å; A618-Y666 PolarHBondContact N-OH 3.38Å; N621-Y666 PolarHBondContact ND2-OH 3.45Å; N621-Y666 VanDerWaalsContact ND2-OH 3.13Å; Y666-R668 VanDerWaalsContact C-N 3.26Å; Y666-R668 PolarHBondContact O-N 3.47Å
667	L	50.1	Low	55.2	Low	38 Å²	38	66.9 Å²	66.9	20%	0.199	38%	0.381	C	S	.	.			trans	-69.5	80.8	173.5	-68.1	167.7	0	0	0	110.2	H665 R669	H665-L667 PolarHBondContact O-N 3.45Å; L667-R669 VanDerWaalsContact C-N 3.34Å; L667-R669 PolarHBondContact O-N 3.07Å
668	R	57.7	Low	56.7	Low	146 Å²	146	62.9 Å²	62.9	55%	0.551	35%	0.353	S	S	*	.			trans	-69.6	90.8	167.7	-71.8	-168.6	-176.9	-166.5	5.7	108.7	Y666 Q670	Y666-R668 VanDerWaalsContact C-N 3.26Å; Y666-R668 PolarHBondContact O-N 3.47Å; R668-Q670 PolarHBondContact O-N 3.11Å
669	R	73.2	Confident	57.5	Low	10 Å²	10	57 Å²	57	4%	0.038	35%	0.353	C	S	.	.			trans	-62.1	108.8	176.2	-56.3	-52.6	-167.2	174.5	7.5	110	D259 L607 E610 V611 L667 S671 V672 T673	D259-R669 WeakPolarHBondContact OD1-CA 3.41Å; D259-R669 WeakPolarHBondContact OD2-CD 3.31Å; D259-R669 IonicContact OD2-CZ 2.65Å; D259-R669 IonicContact OD2-NE 3.75Å; D259-R669 IonicContact OD2-NH1 3.61Å; D259-R669 PolarHBondContact OD2-NH1 2.75Å; L607-R669 HydrophobicContact CB-CB 4.44Å; L607-R669 HydrophobicContact CB-CG 4.26Å; L607-R669 HydrophobicContact CD2-CB 4.33Å; L607-R669 HydrophobicContact CD2-CG 3.73Å; E610-R669 HydrophobicContact CB-CG 4.49Å; E610-R669 IonicContact OE2-CZ 3.62Å; E610-R669 IonicContact OE2-NE 2.73Å; E610-R669 PolarHBondContact OE2-NE 2.99Å; E610-R669 IonicContact OE2-NH2 2.77Å; E610-R669 PolarHBondContact OE2-NH2 3.19Å; V611-R669 HydrophobicContact CG2-CB 3.55Å; V611-R669 HydrophobicContact CG2-CG 3.82Å; L667-R669 VanDerWaalsContact C-N 3.34Å; L667-R669 PolarHBondContact O-N 3.07Å; R669-S671 VanDerWaalsContact C-N 3.31Å; R669-S671 PolarHBondContact O-N 2.86Å; R669-V672 HydrophobicContact CB-CB 4.29Å; R669-V672 HydrophobicContact CB-CG2 3.93Å; R669-V672 WeakPolarHBondContact O-CB 3.42Å; R669-V672 PolarHBondContact O-N 3.32Å; R669-T673 PolarHBondContact O-N 3.47Å; R669-T673 PolarHBondContact O-OG1 2.89Å
670	Q	80.7	Confident	58.5	Low	13 Å²	13	60.2 Å²	60.2	6%	0.061	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-38.7	-170.9	-55.7	-79.5	25.2	0	0	109.6	R49 D259 V262 E263 R668 V672 T673 K674	R49-Q670 VanDerWaalsContact CZ-OE1 3.31Å; R49-Q670 VanDerWaalsContact NH1-CD 3.33Å; D259-Q670 WeakPolarHBondContact OD1-CG 3.37Å; D259-Q670 PolarHBondContact OD1-N 2.95Å; V262-Q670 HydrophobicContact CB-CB 4.43Å; V262-Q670 HydrophobicContact CG1-CB 4.21Å; E263-Q670 HydrophobicContact CB-CG 3.97Å; E263-Q670 PolarHBondContact OE1-NE2 3.44Å; E263-Q670 PolarHBondContact OE2-NE2 3.42Å; R668-Q670 PolarHBondContact O-N 3.11Å; Q670-V672 PolarHBondContact O-N 3.04Å; Q670-V672 VanDerWaalsContact O-N 3.15Å; Q670-T673 PolarHBondContact O-N 2.68Å; Q670-K674 WeakPolarHBondContact O-CB 3.47Å; Q670-K674 PolarHBondContact O-N 3.49Å
671	S	82.8	Confident	59.9	Low	0 Å²	0	58 Å²	58	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-15.1	170	-53.8	0	0	0	0	115	V262 F379 H386 R669 Y675	V262-S671 WeakPolarHBondContact CG2-OG 3.38Å; F379-S671 VanDerWaalsContact CD2-O 3.28Å; F379-S671 WeakPolarHBondContact CD2-O 3.31Å; F379-S671 WeakPolarHBondContact CE2-O 3.43Å; H386-S671 PolarHBondContact CE1-OG 2.75Å; R669-S671 VanDerWaalsContact C-N 3.31Å; R669-S671 PolarHBondContact O-N 2.86Å; S671-Y675 WeakPolarHBondContact O-CD2 3.39Å
672	V	85.3	Confident	61.7	Low	1 Å²	1	57.2 Å²	57.2	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-91.4	-52.4	169	179.1	0	0	0	0	109.3	F379 L607 I608 V611 R669 Q670 K674 Y675 C676 A684	F379-V672 HydrophobicContact CE2-CG2 4.27Å; L607-V672 HydrophobicContact CB-CG2 3.73Å; I608-V672 HydrophobicContact CG1-CG1 4.2Å; I608-V672 HydrophobicContact CG1-CG2 4.18Å; V611-V672 HydrophobicContact CB-CG1 4.38Å; V611-V672 HydrophobicContact CG1-CG1 4.42Å; V611-V672 HydrophobicContact CG2-CB 4.06Å; V611-V672 HydrophobicContact CG2-CG1 4.32Å; V611-V672 HydrophobicContact CG2-CG2 4.33Å; R669-V672 HydrophobicContact CB-CB 4.29Å; R669-V672 HydrophobicContact CB-CG2 3.93Å; R669-V672 WeakPolarHBondContact O-CB 3.42Å; R669-V672 PolarHBondContact O-N 3.32Å; Q670-V672 PolarHBondContact O-N 3.04Å; Q670-V672 VanDerWaalsContact O-N 3.15Å; V672-K674 VanDerWaalsContact C-N 3.29Å; V672-K674 PolarHBondContact O-N 3.08Å; V672-Y675 CarbonylContact O-C 3.56Å; V672-Y675 PolarHBondContact O-N 2.91Å; V672-C676 PolarHBondContact O-N 3.47Å; V672-C676 VanDerWaalsContact O-N 3.12Å; V672-C676 PolarHBondContact O-SG 2.87Å; V672-A684 HydrophobicContact CG1-CB 4.16Å
673	T	82.1	Confident	63.9	Low	50 Å²	50	50.6 Å²	50.6	31%	0.307	29%	0.294	S	S	.	.	H	α-helix	trans	-53.6	-43.6	-178.9	-59.5	0	0	0	0	112.8	R669 Q670 Y675 C676	R669-T673 PolarHBondContact O-N 3.47Å; R669-T673 PolarHBondContact O-OG1 2.89Å; Q670-T673 PolarHBondContact O-N 2.68Å; T673-Y675 VanDerWaalsContact C-N 3.26Å; T673-Y675 PolarHBondContact O-N 3.22Å; T673-C676 PolarHBondContact O-N 2.9Å
674	K	83.4	Confident	66.1	Low	33 Å²	33	49.6 Å²	49.6	14%	0.143	28%	0.282	C	S	.	.	H	α-helix	trans	-53	-38.6	173.4	171.8	174.4	178.3	153.8	0	113.7	V262 E266 E382 Q670 V672	V262-K674 HydrophobicContact CG1-CD 3.87Å; E266-K674 VanDerWaalsContact CD-CD 3.44Å; E266-K674 HydrophobicContact CG-CB 4.5Å; E266-K674 HydrophobicContact CG-CD 4.01Å; E266-K674 HydrophobicContact CG-CG 4.38Å; E266-K674 VanDerWaalsContact OE1-CD 3.24Å; E266-K674 WeakPolarHBondContact OE1-CD 3.46Å; E266-K674 WeakPolarHBondContact OE1-CE 3.44Å; E266-K674 IonicContact OE1-NZ 3.42Å; E266-K674 PolarHBondContact OE1-NZ 3.14Å; E266-K674 WeakPolarHBondContact OE2-CG 3.17Å; E382-K674 WeakPolarHBondContact OE1-CE 3.33Å; E382-K674 IonicContact OE1-NZ 3.74Å; E382-K674 PolarHBondContact OE1-NZ 2.77Å; E382-K674 WeakPolarHBondContact OE2-CD 3.48Å; E382-K674 IonicContact OE2-NZ 2.8Å; Q670-K674 WeakPolarHBondContact O-CB 3.47Å; Q670-K674 PolarHBondContact O-N 3.49Å; V672-K674 VanDerWaalsContact C-N 3.29Å; V672-K674 PolarHBondContact O-N 3.08Å
675	Y	85.2	Confident	68.2	Low	3 Å²	3	52.5 Å²	52.5	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-99	3.5	-175.5	-68	-97.9	0	0	0	114.2	H272 F375 R378 F379 E382 S671 V672 T673 V683	H272-Y675 PolarHBondContact CE1-OH 2.79Å; F375-Y675 HydrophobicContact CD1-CD1 4.15Å; F375-Y675 HydrophobicContact CD2-CD1 4.04Å; F375-Y675 HydrophobicContact CD2-CE1 4.18Å; F375-Y675 AromaticContact CE1-CD1 3.68Å; F375-Y675 HydrophobicContact CE1-CD1 3.68Å; F375-Y675 HydrophobicContact CE1-CG 4.35Å; F375-Y675 AromaticContact CE2-CD1 3.55Å; F375-Y675 HydrophobicContact CE2-CD1 3.55Å; F375-Y675 AromaticContact CE2-CE1 3.93Å; F375-Y675 HydrophobicContact CE2-CE1 3.93Å; F375-Y675 HydrophobicContact CG-CD1 4.31Å; F375-Y675 AromaticContact CZ-CD1 3.33Å; F375-Y675 HydrophobicContact CZ-CD1 3.33Å; F375-Y675 HydrophobicContact CZ-CE1 4.18Å; F375-Y675 AromaticContact CZ-CG 3.99Å; F375-Y675 HydrophobicContact CZ-CG 3.99Å; R378-Y675 HydrophobicContact CB-CE1 3.91Å; R378-Y675 WeakPolarHBondContact CB-OH 3.36Å; F379-Y675 HydrophobicContact CB-CD1 3.6Å; F379-Y675 HydrophobicContact CB-CD2 4.14Å; F379-Y675 HydrophobicContact CB-CE1 3.82Å; F379-Y675 HydrophobicContact CB-CE2 4.31Å; F379-Y675 HydrophobicContact CB-CG 3.79Å; F379-Y675 HydrophobicContact CD2-CD2 4.05Å; F379-Y675 HydrophobicContact CD2-CG 4.12Å; F379-Y675 HydrophobicContact CG-CG 4.36Å; E382-Y675 PolarHBondContact OE1-OH 2.85Å; E382-Y675 WeakPolarHBondContact OE2-CE2 3.37Å; S671-Y675 WeakPolarHBondContact O-CD2 3.39Å; V672-Y675 CarbonylContact O-C 3.56Å; V672-Y675 PolarHBondContact O-N 2.91Å; T673-Y675 VanDerWaalsContact C-N 3.26Å; T673-Y675 PolarHBondContact O-N 3.22Å; Y675-V683 PolarHBondContact O-N 3.08Å
676	C	76.5	Confident	70.1	Confident	42 Å²	42	49.4 Å²	49.4	28%	0.284	27%	0.274	S	S	.	.	H	α-helix	trans	-78	-40	167.9	-61.3	0	0	0	0	112.1	V672 T673 S678 A684	V672-C676 PolarHBondContact O-N 3.47Å; V672-C676 VanDerWaalsContact O-N 3.12Å; V672-C676 PolarHBondContact O-SG 2.87Å; T673-C676 PolarHBondContact O-N 2.9Å; C676-S678 PolarHBondContact O-N 2.71Å; C676-A684 VanDerWaalsContact SG-CB 3.52Å
677	S	62.9	Low	72.1	Confident	109 Å²	109	45.1 Å²	45.1	76%	0.762	26%	0.257	S	S	*	.	S	Bend	trans	-79.2	18.8	-166.1	-52.1	0	0	0	0	115.5
678	S	59.4	Low	73.9	Confident	27 Å²	27	43.3 Å²	43.3	19%	0.189	25%	0.248	C	C	.	.			trans	-98.8	131.8	-169.7	177	0	0	0	0	113.1	F375 C676 F680	F375-S678 VanDerWaalsContact CE1-CB 3.47Å; F375-S678 WeakPolarHBondContact CZ-OG 3.41Å; C676-S678 PolarHBondContact O-N 2.71Å; S678-F680 PolarHBondContact O-N 3.32Å; S678-F680 VanDerWaalsContact O-N 3.08Å
679	A	50.1	Low	75.1	Confident	105 Å²	105	38.1 Å²	38.1	87%	0.868	23%	0.23	S	C	*	.	S	Bend	trans	-64.5	-11.1	-179.9	0	0	0	0	0	114.9
680	F	51.9	Low	75.6	Confident	152 Å²	152	40 Å²	40	67%	0.667	24%	0.241	S	C	*	.	S	Bend	trans	-96.7	-39.1	-177	-59.3	-74.2	0	0	0	113.6	S678	S678-F680 PolarHBondContact O-N 3.32Å; S678-F680 VanDerWaalsContact O-N 3.08Å
681	L	59.8	Low	75.9	Confident	37 Å²	37	39.4 Å²	39.4	19%	0.194	24%	0.238	C	C	.	.			trans	-169.2	119.9	-178.6	-162	69.1	0	0	0	109	F375 L410 V683 A686	F375-L681 WeakPolarHBondContact CE1-O 3.33Å; L410-L681 HydrophobicContact CD2-CD2 3.76Å; L681-V683 PolarHBondContact O-N 3.35Å; L681-A686 HydrophobicContact CD1-CB 3.44Å; L681-A686 VanDerWaalsContact CD1-CB 3.44Å; L681-A686 HydrophobicContact CD2-CB 4.08Å; L681-A686 HydrophobicContact CG-CB 3.65Å
682	S	73.2	Confident	76	Confident	27 Å²	27	41.2 Å²	41.2	19%	0.189	25%	0.246	C	C	.	.			trans	-70.7	117.3	164.5	172.3	0	0	0	0	108.5	A684 D685 A686	S682-A684 VanDerWaalsContact C-N 3.33Å; S682-A684 PolarHBondContact O-N 3.33Å; S682-D685 WeakPolarHBondContact CB-OD2 3.48Å; S682-D685 PolarHBondContact OG-OD2 3.42Å; S682-A686 WeakPolarHBondContact O-CB 3.3Å; S682-A686 PolarHBondContact O-N 2.83Å
683	V	78.4	Confident	75.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-37.6	179.8	162.7	0	0	0	0	111.5	F375 F379 I608 Y675 L681 D685 Y687 P688	F375-V683 HydrophobicContact CD1-CG2 4.1Å; F375-V683 HydrophobicContact CE1-CG2 3.89Å; F379-V683 HydrophobicContact CB-CG2 4.31Å; F379-V683 HydrophobicContact CD1-CG1 3.47Å; F379-V683 VanDerWaalsContact CD1-CG1 3.47Å; F379-V683 HydrophobicContact CD1-CG2 4.45Å; F379-V683 HydrophobicContact CD2-CG1 3.87Å; F379-V683 HydrophobicContact CE1-CG1 3.43Å; F379-V683 VanDerWaalsContact CE1-CG1 3.43Å; F379-V683 HydrophobicContact CE2-CG1 3.85Å; F379-V683 HydrophobicContact CG-CG1 3.69Å; F379-V683 HydrophobicContact CG-CG2 4.3Å; F379-V683 HydrophobicContact CZ-CG1 3.63Å; I608-V683 HydrophobicContact CD1-CG1 4.29Å; Y675-V683 PolarHBondContact O-N 3.08Å; L681-V683 PolarHBondContact O-N 3.35Å; V683-D685 VanDerWaalsContact C-N 3.29Å; V683-D685 PolarHBondContact O-N 3.32Å; V683-Y687 WeakPolarHBondContact O-CB 3.28Å; V683-Y687 PolarHBondContact O-N 3.22Å; V683-P688 WeakPolarHBondContact O-CD 3.48Å
684	A	76.4	Confident	75.4	Confident	20 Å²	20	40.6 Å²	40.6	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-33.2	-177.8	0	0	0	0	0	113.1	I608 V672 C676 S682 P688	I608-A684 HydrophobicContact CG2-CB 4.43Å; V672-A684 HydrophobicContact CG1-CB 4.16Å; C676-A684 VanDerWaalsContact SG-CB 3.52Å; S682-A684 VanDerWaalsContact C-N 3.33Å; S682-A684 PolarHBondContact O-N 3.33Å; A684-P688 VanDerWaalsContact O-CD 3.31Å; A684-P688 WeakPolarHBondContact O-CD 3.46Å; A684-P688 VanDerWaalsContact O-CG 3.31Å; A684-P688 WeakPolarHBondContact O-CG 3.36Å
685	D	76	Confident	75.5	Confident	115 Å²	115	39 Å²	39	62%	0.615	23%	0.234	S	C	*	.	H	α-helix	trans	-90.3	-47.4	-178.7	-51.6	-62.8	0	0	0	111.4	S682 V683	S682-D685 WeakPolarHBondContact CB-OD2 3.48Å; S682-D685 PolarHBondContact OG-OD2 3.42Å; V683-D685 VanDerWaalsContact C-N 3.29Å; V683-D685 PolarHBondContact O-N 3.32Å
686	A	81.1	Confident	75.4	Confident	19 Å²	19	39 Å²	39	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-88	-32.5	-170.2	0	0	0	0	0	114	L681 S682 L690	L681-A686 HydrophobicContact CD1-CB 3.44Å; L681-A686 VanDerWaalsContact CD1-CB 3.44Å; L681-A686 HydrophobicContact CD2-CB 4.08Å; L681-A686 HydrophobicContact CG-CB 3.65Å; S682-A686 WeakPolarHBondContact O-CB 3.3Å; S682-A686 PolarHBondContact O-N 2.83Å; A686-L690 HydrophobicContact CB-CD1 4.19Å; A686-L690 VanDerWaalsContact O-CB 3.24Å; A686-L690 WeakPolarHBondContact O-CB 3.37Å; A686-L690 VanDerWaalsContact O-CG 3.27Å; A686-L690 WeakPolarHBondContact O-CG 3.47Å; A686-L690 PolarHBondContact O-N 3.25Å
687	Y	89	Confident	75.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-44.5	-179	-177.7	-91.3	0	0	0	112.3	T376 L380 V409 H601 A604 L605 I608 V683 S691	T376-Y687 HydrophobicContact CG2-CD2 3.75Å; T376-Y687 HydrophobicContact CG2-CE2 4.01Å; L380-Y687 HydrophobicContact CD1-CE2 4.48Å; L380-Y687 HydrophobicContact CD2-CE2 4.19Å; V409-Y687 HydrophobicContact CB-CE2 4.36Å; V409-Y687 HydrophobicContact CG1-CD2 3.93Å; V409-Y687 HydrophobicContact CG1-CE2 3.98Å; V409-Y687 HydrophobicContact CG2-CE2 4.01Å; H601-Y687 AromaticContact ND1-CE1 3.83Å; H601-Y687 AromaticContact ND1-CZ 3.79Å; H601-Y687 PolarHBondContact ND1-OH 3.17Å; A604-Y687 HydrophobicContact CB-CD1 4.45Å; A604-Y687 HydrophobicContact CB-CE1 3.77Å; L605-Y687 HydrophobicContact CD2-CD1 4.44Å; L605-Y687 HydrophobicContact CD2-CE1 4.37Å; I608-Y687 HydrophobicContact CD1-CD1 4.03Å; V683-Y687 WeakPolarHBondContact O-CB 3.28Å; V683-Y687 PolarHBondContact O-N 3.22Å; Y687-S691 WeakPolarHBondContact O-CB 3.44Å; Y687-S691 PolarHBondContact O-N 3.49Å; Y687-S691 PolarHBondContact O-OG 2.82Å
688	P	87.6	Confident	76.1	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-56.4	174.1	-25.4	36.3	0	0	0	111.5	L605 I608 V683 A684 L690 S691 F692 L716	L605-P688 HydrophobicContact CD2-CB 4.3Å; L605-P688 HydrophobicContact CD2-CG 4.43Å; I608-P688 HydrophobicContact CD1-CG 4.14Å; I608-P688 HydrophobicContact CG2-CG 4.02Å; V683-P688 WeakPolarHBondContact O-CD 3.48Å; A684-P688 VanDerWaalsContact O-CD 3.31Å; A684-P688 WeakPolarHBondContact O-CD 3.46Å; A684-P688 VanDerWaalsContact O-CG 3.31Å; A684-P688 WeakPolarHBondContact O-CG 3.36Å; P688-L690 PolarHBondContact O-N 3.11Å; P688-S691 PolarHBondContact O-N 2.96Å; P688-S691 PolarHBondContact O-OG 3.15Å; P688-F692 WeakPolarHBondContact O-CD2 3.31Å; P688-F692 PolarHBondContact O-N 3.26Å; P688-L716 HydrophobicContact CB-CB 4.2Å
689	Q	81.4	Confident	77.1	Confident	37 Å²	37	36.3 Å²	36.3	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-57.2	-177.9	-172.1	60.8	56	0	0	111.8	S691 F692 D693 S720 N721	Q689-S691 PolarHBondContact O-N 3.17Å; Q689-F692 PolarHBondContact O-N 3.34Å; Q689-D693 PolarHBondContact NE2-OD2 2.77Å; Q689-D693 PolarHBondContact O-N 3.28Å; Q689-D693 VanDerWaalsContact O-OD2 3.13Å; Q689-S720 PolarHBondContact OE1-OG 3.16Å; Q689-N721 PolarHBondContact OE1-ND2 2.85Å
690	L	83.9	Confident	78.3	Confident	49 Å²	49	35.4 Å²	35.4	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-27.3	-179.3	-65	173.5	0	0	0	112.9	V409 L410 A686 P688 N694	V409-L690 HydrophobicContact CG1-CB 3.88Å; L410-L690 HydrophobicContact CD2-CD1 3.62Å; A686-L690 HydrophobicContact CB-CD1 4.19Å; A686-L690 VanDerWaalsContact O-CB 3.24Å; A686-L690 WeakPolarHBondContact O-CB 3.37Å; A686-L690 VanDerWaalsContact O-CG 3.27Å; A686-L690 WeakPolarHBondContact O-CG 3.47Å; A686-L690 PolarHBondContact O-N 3.25Å; P688-L690 PolarHBondContact O-N 3.11Å; L690-N694 WeakPolarHBondContact O-CA 3.39Å; L690-N694 WeakPolarHBondContact O-CB 3.16Å; L690-N694 PolarHBondContact O-N 2.96Å; L690-N694 PolarHBondContact O-ND2 2.68Å
691	S	88.3	Confident	79.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.9	-36.9	174.1	73	0	0	0	0	112.5	H601 Y687 P688 Q689 F695 V696	H601-S691 PolarHBondContact CE1-OG 3.48Å; Y687-S691 WeakPolarHBondContact O-CB 3.44Å; Y687-S691 PolarHBondContact O-N 3.49Å; Y687-S691 PolarHBondContact O-OG 2.82Å; P688-S691 PolarHBondContact O-N 2.96Å; P688-S691 PolarHBondContact O-OG 3.15Å; Q689-S691 PolarHBondContact O-N 3.17Å; S691-F695 CarbonylContact O-C 3.49Å; S691-F695 WeakPolarHBondContact O-CA 3.43Å; S691-F695 VanDerWaalsContact O-CB 3.3Å; S691-F695 WeakPolarHBondContact O-CB 3.41Å; S691-F695 PolarHBondContact O-N 2.9Å; S691-V696 WeakPolarHBondContact O-CG2 3.46Å; S691-V696 PolarHBondContact O-N 2.73Å
692	F	84.9	Confident	80.7	Confident	39 Å²	39	34.5 Å²	34.5	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-76	-26.3	175.8	-85.2	-89.8	0	0	0	113.2	L605 P688 Q689 V696 P697 V712 I717	L605-F692 HydrophobicContact CD1-CE2 3.77Å; L605-F692 HydrophobicContact CD1-CZ 4.26Å; L605-F692 HydrophobicContact CD2-CE2 4.39Å; P688-F692 WeakPolarHBondContact O-CD2 3.31Å; P688-F692 PolarHBondContact O-N 3.26Å; Q689-F692 PolarHBondContact O-N 3.34Å; F692-V696 HydrophobicContact CD1-CB 4.05Å; F692-V696 HydrophobicContact CD1-CG1 4.01Å; F692-V696 HydrophobicContact CD1-CG2 3.82Å; F692-V696 HydrophobicContact CD2-CG2 4.28Å; F692-V696 HydrophobicContact CE1-CB 4.41Å; F692-V696 HydrophobicContact CE1-CG1 4.05Å; F692-V696 HydrophobicContact CE1-CG2 3.94Å; F692-V696 HydrophobicContact CE2-CG2 4.39Å; F692-V696 HydrophobicContact CG-CB 4.49Å; F692-V696 HydrophobicContact CG-CG2 4Å; F692-V696 HydrophobicContact CZ-CG2 4.22Å; F692-P697 WeakPolarHBondContact O-CD 3.36Å; F692-V712 HydrophobicContact CE2-CG1 3.87Å; F692-V712 HydrophobicContact CZ-CG1 4.08Å; F692-I717 HydrophobicContact CB-CD1 4.18Å; F692-I717 HydrophobicContact CD1-CD1 3.49Å; F692-I717 VanDerWaalsContact CD1-CD1 3.49Å; F692-I717 HydrophobicContact CD2-CD1 3.49Å; F692-I717 VanDerWaalsContact CD2-CD1 3.49Å; F692-I717 HydrophobicContact CD2-CG1 4.07Å; F692-I717 HydrophobicContact CE1-CD1 3.62Å; F692-I717 HydrophobicContact CE2-CD1 3.62Å; F692-I717 HydrophobicContact CE2-CG1 4.36Å; F692-I717 HydrophobicContact CG-CD1 3.43Å; F692-I717 VanDerWaalsContact CG-CD1 3.43Å; F692-I717 HydrophobicContact CG-CG1 4.27Å; F692-I717 HydrophobicContact CZ-CD1 3.68Å
693	D	76.8	Confident	81.1	Confident	33 Å²	33	38.2 Å²	38.2	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-75.5	-51.9	168	-73.2	-61.1	0	0	0	112.4	A416 R420 Q689	A416-D693 VanDerWaalsContact CB-O 3.28Å; A416-D693 WeakPolarHBondContact CB-O 3.38Å; R420-D693 IonicContact CZ-OD1 3.21Å; R420-D693 IonicContact NH1-OD1 2.73Å; R420-D693 PolarHBondContact NH1-OD1 2.94Å; R420-D693 IonicContact NH2-OD1 2.68Å; R420-D693 PolarHBondContact NH2-OD1 3.08Å; Q689-D693 PolarHBondContact NE2-OD2 2.77Å; Q689-D693 PolarHBondContact O-N 3.28Å; Q689-D693 VanDerWaalsContact O-OD2 3.13Å
694	N	78.6	Confident	81.3	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-106.4	-10.7	-162.6	-51.9	-34.8	0	0	0	115.5	V408 V409 P413 A416 L690 Y698	V408-N694 WeakPolarHBondContact CG1-O 3.46Å; V409-N694 PolarHBondContact O-ND2 3.44Å; P413-N694 WeakPolarHBondContact CA-OD1 3.46Å; A416-N694 WeakPolarHBondContact CB-OD1 3.34Å; L690-N694 WeakPolarHBondContact O-CA 3.39Å; L690-N694 WeakPolarHBondContact O-CB 3.16Å; L690-N694 PolarHBondContact O-N 2.96Å; L690-N694 PolarHBondContact O-ND2 2.68Å; N694-Y698 WeakPolarHBondContact O-CD2 3.43Å; N694-Y698 VanDerWaalsContact O-CE2 3.26Å; N694-Y698 WeakPolarHBondContact O-CE2 3.47Å
695	F	84	Confident	81.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-54.1	-174.8	176.5	-100.2	0	0	0	113.4	W404 L405 V408 V409 L598 H601 S691 P697 Y698 F699 I702	W404-F695 AromaticContact CH2-CE2 3.83Å; W404-F695 HydrophobicContact CH2-CE2 3.83Å; W404-F695 AromaticContact CZ3-CE2 3.73Å; W404-F695 HydrophobicContact CZ3-CE2 3.73Å; L405-F695 HydrophobicContact CD1-CD1 4.39Å; L405-F695 HydrophobicContact CD1-CD2 3.71Å; L405-F695 HydrophobicContact CD1-CE1 4.17Å; L405-F695 HydrophobicContact CD1-CE2 3.46Å; L405-F695 VanDerWaalsContact CD1-CE2 3.46Å; L405-F695 HydrophobicContact CD1-CG 4.19Å; L405-F695 HydrophobicContact CD1-CZ 3.7Å; V408-F695 HydrophobicContact CB-CD2 4.11Å; V408-F695 HydrophobicContact CG1-CB 4.29Å; V408-F695 HydrophobicContact CG1-CD2 3.77Å; V409-F695 HydrophobicContact CG2-CB 3.82Å; V409-F695 HydrophobicContact CG2-CG 4.24Å; L598-F695 HydrophobicContact CD2-CE1 3.97Å; L598-F695 HydrophobicContact CD2-CZ 3.69Å; L598-F695 HydrophobicContact CG-CZ 4.33Å; H601-F695 HydrophobicContact CB-CE1 3.96Å; H601-F695 HydrophobicContact CB-CZ 4.4Å; H601-F695 AromaticContact CD2-CD1 3.96Å; H601-F695 AromaticContact CD2-CE1 3.52Å; H601-F695 AromaticContact CE1-CD1 3.9Å; H601-F695 AromaticContact CG-CD1 3.97Å; H601-F695 AromaticContact CG-CE1 3.55Å; H601-F695 AromaticContact ND1-CD1 3.94Å; H601-F695 AromaticContact NE2-CD1 3.91Å; H601-F695 AromaticContact NE2-CE1 3.95Å; S691-F695 CarbonylContact O-C 3.49Å; S691-F695 WeakPolarHBondContact O-CA 3.43Å; S691-F695 VanDerWaalsContact O-CB 3.3Å; S691-F695 WeakPolarHBondContact O-CB 3.41Å; S691-F695 PolarHBondContact O-N 2.9Å; F695-P697 VanDerWaalsContact C-CD 3.44Å; F695-Y698 PolarHBondContact O-N 3.38Å; F695-Y698 VanDerWaalsContact O-N 3.11Å; F695-F699 HydrophobicContact CD2-CD2 4.2Å; F695-F699 AromaticContact CD2-CE2 3.92Å; F695-F699 HydrophobicContact CD2-CE2 3.92Å; F695-F699 HydrophobicContact CE1-CD2 4.15Å; F695-F699 AromaticContact CE2-CD2 3.8Å; F695-F699 HydrophobicContact CE2-CD2 3.8Å; F695-F699 AromaticContact CE2-CE2 3.44Å; F695-F699 HydrophobicContact CE2-CE2 3.44Å; F695-F699 VanDerWaalsContact CE2-CE2 3.44Å; F695-F699 HydrophobicContact CE2-CZ 4.44Å; F695-F699 AromaticContact CZ-CD2 3.78Å; F695-F699 HydrophobicContact CZ-CD2 3.78Å; F695-F699 AromaticContact CZ-CE2 3.84Å; F695-F699 HydrophobicContact CZ-CE2 3.84Å; F695-F699 WeakPolarHBondContact O-CD2 3.37Å; F695-I702 HydrophobicContact CD1-CD1 4.17Å; F695-I702 HydrophobicContact CE1-CD1 3.66Å
696	V	83.8	Confident	81.8	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56	-38.5	-177.1	175.9	0	0	0	0	113.7	S691 F692 Y698 F699 I702 Q703	S691-V696 WeakPolarHBondContact O-CG2 3.46Å; S691-V696 PolarHBondContact O-N 2.73Å; F692-V696 HydrophobicContact CD1-CB 4.05Å; F692-V696 HydrophobicContact CD1-CG1 4.01Å; F692-V696 HydrophobicContact CD1-CG2 3.82Å; F692-V696 HydrophobicContact CD2-CG2 4.28Å; F692-V696 HydrophobicContact CE1-CB 4.41Å; F692-V696 HydrophobicContact CE1-CG1 4.05Å; F692-V696 HydrophobicContact CE1-CG2 3.94Å; F692-V696 HydrophobicContact CE2-CG2 4.39Å; F692-V696 HydrophobicContact CG-CB 4.49Å; F692-V696 HydrophobicContact CG-CG2 4Å; F692-V696 HydrophobicContact CZ-CG2 4.22Å; V696-Y698 PolarHBondContact O-N 2.76Å; V696-F699 CarbonylContact O-C 3.59Å; V696-F699 PolarHBondContact O-N 3.06Å; V696-I702 HydrophobicContact CG1-CG1 4.48Å; V696-I702 HydrophobicContact CG2-CD1 4.12Å; V696-Q703 HydrophobicContact CG1-CB 3.8Å; V696-Q703 HydrophobicContact CG1-CG 4.02Å
697	P	78.9	Confident	82	Confident	49 Å²	49	50.8 Å²	50.8	32%	0.318	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-63	-12.8	178.6	-25.9	37.4	0	0	0	115.4	F692 F695	F692-P697 WeakPolarHBondContact O-CD 3.36Å; F695-P697 VanDerWaalsContact C-CD 3.44Å
698	Y	74.2	Confident	81.8	Confident	42 Å²	42	52.3 Å²	52.3	17%	0.165	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-90.5	-9.5	174.6	-59	-76.8	0	0	0	113.1	Y415 T419 N694 F695 V696	Y415-Y698 AromaticContact CD1-CE1 3.8Å; Y415-Y698 HydrophobicContact CD1-CE1 3.8Å; Y415-Y698 HydrophobicContact CD1-CE2 4.13Å; Y415-Y698 AromaticContact CD1-CZ 3.41Å; Y415-Y698 VanDerWaalsContact CD1-CZ 3.41Å; Y415-Y698 WeakPolarHBondContact CD1-OH 3.48Å; Y415-Y698 AromaticContact CE1-CD1 3.9Å; Y415-Y698 HydrophobicContact CE1-CD1 3.9Å; Y415-Y698 AromaticContact CE1-CE1 3.09Å; Y415-Y698 HydrophobicContact CE1-CE1 3.09Å; Y415-Y698 HydrophobicContact CE1-CE2 4.1Å; Y415-Y698 AromaticContact CE1-CZ 3.24Å; Y415-Y698 VanDerWaalsContact CE1-OH 3.31Å; Y415-Y698 WeakPolarHBondContact CE1-OH 3.21Å; Y415-Y698 HydrophobicContact CE2-CE1 4.35Å; Y415-Y698 AromaticContact CZ-CE1 3.41Å; Y415-Y698 VanDerWaalsContact CZ-CE1 3.41Å; Y415-Y698 AromaticContact CZ-CZ 3.93Å; Y415-Y698 PolarHBondContact O-OH 3.39Å; T419-Y698 HydrophobicContact CG2-CE1 3.81Å; T419-Y698 WeakPolarHBondContact CG2-OH 3.28Å; T419-Y698 PolarHBondContact OG1-OH 3.18Å; N694-Y698 WeakPolarHBondContact O-CD2 3.43Å; N694-Y698 VanDerWaalsContact O-CE2 3.26Å; N694-Y698 WeakPolarHBondContact O-CE2 3.47Å; F695-Y698 PolarHBondContact O-N 3.38Å; F695-Y698 VanDerWaalsContact O-N 3.11Å; V696-Y698 PolarHBondContact O-N 2.76Å
699	F	81.4	Confident	81.7	Confident	31 Å²	31	57.8 Å²	57.8	14%	0.136	33%	0.332	C	S	.	.			trans	-133.2	76.9	-175.5	-59.5	-70.2	0	0	0	110.8	W404 I594 L598 F695 V696 S701 I702 Q703	W404-F699 HydrophobicContact CH2-CE2 4.02Å; W404-F699 AromaticContact CH2-CZ 3.83Å; W404-F699 HydrophobicContact CH2-CZ 3.83Å; I594-F699 HydrophobicContact CD1-CZ 4.39Å; I594-F699 HydrophobicContact CG1-CZ 4.47Å; I594-F699 HydrophobicContact CG2-CD1 4.43Å; I594-F699 HydrophobicContact CG2-CE1 3.53Å; I594-F699 HydrophobicContact CG2-CZ 3.86Å; L598-F699 HydrophobicContact CD1-CD1 4.29Å; L598-F699 HydrophobicContact CD2-CB 4.23Å; L598-F699 HydrophobicContact CD2-CD1 4.36Å; L598-F699 HydrophobicContact CD2-CD2 4.25Å; L598-F699 HydrophobicContact CD2-CG 3.99Å; F695-F699 HydrophobicContact CD2-CD2 4.2Å; F695-F699 AromaticContact CD2-CE2 3.92Å; F695-F699 HydrophobicContact CD2-CE2 3.92Å; F695-F699 HydrophobicContact CE1-CD2 4.15Å; F695-F699 AromaticContact CE2-CD2 3.8Å; F695-F699 HydrophobicContact CE2-CD2 3.8Å; F695-F699 AromaticContact CE2-CE2 3.44Å; F695-F699 HydrophobicContact CE2-CE2 3.44Å; F695-F699 VanDerWaalsContact CE2-CE2 3.44Å; F695-F699 HydrophobicContact CE2-CZ 4.44Å; F695-F699 AromaticContact CZ-CD2 3.78Å; F695-F699 HydrophobicContact CZ-CD2 3.78Å; F695-F699 AromaticContact CZ-CE2 3.84Å; F695-F699 HydrophobicContact CZ-CE2 3.84Å; F695-F699 WeakPolarHBondContact O-CD2 3.37Å; V696-F699 CarbonylContact O-C 3.59Å; V696-F699 PolarHBondContact O-N 3.06Å; F699-S701 PolarHBondContact O-N 3.48Å; F699-I702 HydrophobicContact CB-CD1 4.11Å; F699-I702 HydrophobicContact CB-CG1 3.72Å; F699-I702 WeakPolarHBondContact O-CG1 3.42Å; F699-I702 PolarHBondContact O-N 2.81Å; F699-Q703 PolarHBondContact O-N 3.21Å
700	P	75.8	Confident	82	Confident	86 Å²	86	58.3 Å²	58.3	56%	0.558	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-54.5	-24.9	-179.6	-27.8	36	0	0	0	114.4	I702 Q703	P700-I702 PolarHBondContact O-N 2.97Å; P700-Q703 PolarHBondContact O-N 3.08Å
701	S	77.9	Confident	82.1	Confident	109 Å²	109	59 Å²	59	76%	0.762	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.4	175.2	51.8	0	0	0	0	115.1	F699	F699-S701 PolarHBondContact O-N 3.48Å
702	I	83.8	Confident	81.9	Confident	61 Å²	61	60.4 Å²	60.4	31%	0.313	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-113.5	0.2	171.9	62.2	161.8	0	0	0	113	L598 F695 V696 F699 P700 C704	L598-I702 HydrophobicContact CD2-CD1 3.8Å; L598-I702 HydrophobicContact CD2-CG1 4.4Å; L598-I702 HydrophobicContact CD2-CG2 4.28Å; F695-I702 HydrophobicContact CD1-CD1 4.17Å; F695-I702 HydrophobicContact CE1-CD1 3.66Å; V696-I702 HydrophobicContact CG1-CG1 4.48Å; V696-I702 HydrophobicContact CG2-CD1 4.12Å; F699-I702 HydrophobicContact CB-CD1 4.11Å; F699-I702 HydrophobicContact CB-CG1 3.72Å; F699-I702 WeakPolarHBondContact O-CG1 3.42Å; F699-I702 PolarHBondContact O-N 2.81Å; P700-I702 PolarHBondContact O-N 2.97Å; I702-C704 PolarHBondContact O-N 3.26Å
703	Q	81.4	Confident	81.9	Confident	105 Å²	105	59 Å²	59	49%	0.491	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-78.7	120.4	-179.8	-173.9	173.6	-4.4	0	0	110.4	V696 F699 P700	V696-Q703 HydrophobicContact CG1-CB 3.8Å; V696-Q703 HydrophobicContact CG1-CG 4.02Å; F699-Q703 PolarHBondContact O-N 3.21Å; P700-Q703 PolarHBondContact O-N 3.08Å
704	C	83.2	Confident	82.2	Confident	50 Å²	50	59.8 Å²	59.8	34%	0.338	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69	140.7	168.9	-65.9	0	0	0	0	110.6	I702 C708	I702-C704 PolarHBondContact O-N 3.26Å; C704-C708 HydrophobicContact CB-CB 3.77Å
705	A	83.4	Confident	82.3	Confident	67 Å²	67	61 Å²	61	55%	0.554	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-57.1	152.2	173	0	0	0	0	0	111.8	T707 C708	A705-T707 PolarHBondContact O-N 3.27Å; A705-T707 VanDerWaalsContact O-N 3.11Å; A705-C708 WeakPolarHBondContact O-CB 3.4Å; A705-C708 PolarHBondContact O-N 3.01Å
706	E	77.8	Confident	82.1	Confident	176 Å²	176	62 Å²	62	82%	0.822	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.6	-178.6	-61.7	-176.5	168.7	0	0	113.1	C708 R718	E706-C708 VanDerWaalsContact C-N 3.29Å; E706-C708 PolarHBondContact O-N 3.41Å; E706-R718 PolarHBondContact O-NH2 2.93Å
707	T	85	Confident	81.9	Confident	125 Å²	125	63.1 Å²	63.1	77%	0.767	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0.1	176.2	52.4	0	0	0	0	114.1	A705	A705-T707 PolarHBondContact O-N 3.27Å; A705-T707 VanDerWaalsContact O-N 3.11Å
708	C	85.8	Confident	81.8	Confident	32 Å²	32	66.8 Å²	66.8	22%	0.216	37%	0.374	C	S	.	.			trans	-64.2	137.7	-174.2	-168	0	0	0	0	112.5	C704 A705 E706 R718	C704-C708 HydrophobicContact CB-CB 3.77Å; A705-C708 WeakPolarHBondContact O-CB 3.4Å; A705-C708 PolarHBondContact O-N 3.01Å; E706-C708 VanDerWaalsContact C-N 3.29Å; E706-C708 PolarHBondContact O-N 3.41Å; C708-R718 PolarHBondContact O-NH1 2.79Å
709	T	86.2	Confident	81.1	Confident	116 Å²	116	71.8 Å²	71.8	71%	0.712	39%	0.393	S	S	*	.			trans	-112.6	9.3	-179.1	52.1	0	0	0	0	113.1	T714	T709-T714 VanDerWaalsContact C-OG1 3.24Å; T709-T714 PolarHBondContact O-OG1 3.32Å
710	C	87	Confident	79.7	Confident	48 Å²	48	73.4 Å²	73.4	32%	0.324	41%	0.408	S	S	.	.			trans	-57.3	158.2	-177	81.5	0	0	0	0	112.2	V712 C713 T714	C710-V712 PolarHBondContact O-N 3.15Å; C710-V712 VanDerWaalsContact O-N 3.16Å; C710-C713 PolarHBondContact O-N 3.04Å; C710-C713 PolarHBondContact SG-N 3.3Å; C710-T714 WeakPolarHBondContact O-CB 3.49Å; C710-T714 PolarHBondContact O-N 2.94Å; C710-T714 PolarHBondContact O-OG1 3.42Å
711	F	85.3	Confident	77.9	Confident	63 Å²	63	77.2 Å²	77.2	28%	0.276	42%	0.423	S	S	.	.	H	α-helix	trans	-55.3	-39.8	-174.3	-178	-89.2	0	0	0	112.7	A609 A612 R613 N715	A609-F711 HydrophobicContact CB-CD1 4.03Å; A609-F711 HydrophobicContact CB-CE1 4.25Å; A609-F711 WeakPolarHBondContact O-CE1 3.47Å; A612-F711 HydrophobicContact CB-CE1 4.02Å; A612-F711 HydrophobicContact CB-CZ 4.11Å; R613-F711 HydrophobicContact CB-CE1 4.23Å; R613-F711 HydrophobicContact CB-CE2 4.07Å; R613-F711 HydrophobicContact CB-CZ 3.79Å; R613-F711 HydrophobicContact CG-CE2 4.27Å; R613-F711 HydrophobicContact CG-CZ 4.48Å; F711-N715 WeakPolarHBondContact CD2-ND2 3.14Å; F711-N715 HydrophobicContact CE2-CB 4.19Å; F711-N715 HydrophobicContact CZ-CB 4.04Å; F711-N715 VanDerWaalsContact O-CB 3.31Å; F711-N715 WeakPolarHBondContact O-CB 3.34Å; F711-N715 PolarHBondContact O-N 2.94Å; F711-N715 PolarHBondContact O-ND2 3.11Å; F711-N715 HydrophobicContact CE1-CB 4.28Å
712	V	84.4	Confident	77.9	Confident	29 Å²	29	75.6 Å²	75.6	18%	0.176	41%	0.407	C	S	.	.	H	α-helix	trans	-62.4	-58.5	177.8	178.5	0	0	0	0	110.7	A609 F692 C710 T714 N715 L716 I717	A609-V712 HydrophobicContact CB-CG2 4.19Å; F692-V712 HydrophobicContact CE2-CG1 3.87Å; F692-V712 HydrophobicContact CZ-CG1 4.08Å; C710-V712 PolarHBondContact O-N 3.15Å; C710-V712 VanDerWaalsContact O-N 3.16Å; V712-T714 VanDerWaalsContact C-N 3.32Å; V712-T714 PolarHBondContact O-N 3.04Å; V712-N715 PolarHBondContact O-N 2.8Å; V712-L716 HydrophobicContact CG1-CB 4.4Å; V712-L716 HydrophobicContact CG1-CD1 4.27Å; V712-L716 HydrophobicContact CG2-CD1 4.34Å; V712-L716 WeakPolarHBondContact O-CA 3.41Å; V712-L716 WeakPolarHBondContact O-CB 3.01Å; V712-L716 PolarHBondContact O-N 3.12Å; V712-I717 HydrophobicContact CG1-CD1 4.31Å; V712-I717 PolarHBondContact O-N 3.1Å; V712-I717 HydrophobicContact CG1-CG1 4.44Å
713	C	84.5	Confident	77.6	Confident	11 Å²	11	76.4 Å²	76.4	7%	0.074	41%	0.411	C	S	.	.	I	π-helix	trans	-58.3	-43.4	-179.6	-64.3	0	0	0	0	112.5	C710 I717 R718	C710-C713 PolarHBondContact O-N 3.04Å; C710-C713 PolarHBondContact SG-N 3.3Å; C713-I717 HydrophobicContact CB-CD1 4.47Å; C713-R718 VanDerWaalsContact O-CB 3.3Å; C713-R718 WeakPolarHBondContact O-CB 3.38Å; C713-R718 VanDerWaalsContact O-CG 3.28Å; C713-R718 WeakPolarHBondContact O-CG 3.5Å; C713-R718 PolarHBondContact O-N 3.33Å
714	T	83.6	Confident	77.3	Confident	49 Å²	49	74.8 Å²	74.8	30%	0.301	41%	0.407	S	S	.	.	I	π-helix	trans	-74.3	-32.4	-175.8	-58.5	0	0	0	0	113.7	T709 C710 V712	T709-T714 VanDerWaalsContact C-OG1 3.24Å; T709-T714 PolarHBondContact O-OG1 3.32Å; C710-T714 WeakPolarHBondContact O-CB 3.49Å; C710-T714 PolarHBondContact O-N 2.94Å; C710-T714 PolarHBondContact O-OG1 3.42Å; V712-T714 VanDerWaalsContact C-N 3.32Å; V712-T714 PolarHBondContact O-N 3.04Å
715	N	81.2	Confident	77	Confident	29 Å²	29	76.2 Å²	76.2	16%	0.155	41%	0.411	C	S	.	.	I	π-helix	trans	-118.9	-20	-170.6	-54.6	-92.3	0	0	0	115	F711 V712 R719	F711-N715 WeakPolarHBondContact CD2-ND2 3.14Å; F711-N715 HydrophobicContact CE2-CB 4.19Å; F711-N715 HydrophobicContact CZ-CB 4.04Å; F711-N715 VanDerWaalsContact O-CB 3.31Å; F711-N715 WeakPolarHBondContact O-CB 3.34Å; F711-N715 PolarHBondContact O-N 2.94Å; F711-N715 PolarHBondContact O-ND2 3.11Å; F711-N715 HydrophobicContact CE1-CB 4.28Å; V712-N715 PolarHBondContact O-N 2.8Å; N715-R719 PolarHBondContact OD1-NH1 2.89Å; N715-R719 PolarHBondContact OD1-NH2 2.95Å
716	L	80.4	Confident	76.6	Confident	21 Å²	21	76.8 Å²	76.8	11%	0.11	40%	0.402	C	S	.	.	I	π-helix	trans	-112.1	-8.8	-178.2	-57.2	-179	0	0	0	114.3	I608 A609 A612 P688 V712	I608-L716 HydrophobicContact CG2-CD1 4.02Å; I608-L716 HydrophobicContact CG2-CD2 4.29Å; A609-L716 HydrophobicContact CB-CD1 4.1Å; A612-L716 HydrophobicContact CB-CD2 3.8Å; P688-L716 HydrophobicContact CB-CB 4.2Å; V712-L716 HydrophobicContact CG1-CB 4.4Å; V712-L716 HydrophobicContact CG1-CD1 4.27Å; V712-L716 HydrophobicContact CG2-CD1 4.34Å; V712-L716 WeakPolarHBondContact O-CA 3.41Å; V712-L716 WeakPolarHBondContact O-CB 3.01Å; V712-L716 PolarHBondContact O-N 3.12Å
717	I	79.7	Confident	76.5	Confident	26 Å²	26	70.2 Å²	70.2	13%	0.133	37%	0.374	C	S	.	.	I	π-helix	trans	-126.6	-43.6	179.7	-40.4	174.8	0	0	0	111.8	F692 V712 C713 R719 S720 N721	F692-I717 HydrophobicContact CB-CD1 4.18Å; F692-I717 HydrophobicContact CD1-CD1 3.49Å; F692-I717 VanDerWaalsContact CD1-CD1 3.49Å; F692-I717 HydrophobicContact CD2-CD1 3.49Å; F692-I717 VanDerWaalsContact CD2-CD1 3.49Å; F692-I717 HydrophobicContact CD2-CG1 4.07Å; F692-I717 HydrophobicContact CE1-CD1 3.62Å; F692-I717 HydrophobicContact CE2-CD1 3.62Å; F692-I717 HydrophobicContact CE2-CG1 4.36Å; F692-I717 HydrophobicContact CG-CD1 3.43Å; F692-I717 VanDerWaalsContact CG-CD1 3.43Å; F692-I717 HydrophobicContact CG-CG1 4.27Å; F692-I717 HydrophobicContact CZ-CD1 3.68Å; V712-I717 HydrophobicContact CG1-CD1 4.31Å; V712-I717 PolarHBondContact O-N 3.1Å; V712-I717 HydrophobicContact CG1-CG1 4.44Å; C713-I717 HydrophobicContact CB-CD1 4.47Å; I717-R719 VanDerWaalsContact C-N 3.29Å; I717-R719 PolarHBondContact O-N 2.7Å; I717-S720 PolarHBondContact O-OG 3.12Å; I717-N721 PolarHBondContact O-ND2 3.3Å
718	R	75	Confident	75.9	Confident	127 Å²	127	66.3 Å²	66.3	48%	0.479	35%	0.346	S	S	.	.	S	Bend	trans	-85.5	9	179.4	-70.7	179.8	177.1	148.3	5.8	115	E706 C708 C713	E706-R718 PolarHBondContact O-NH2 2.93Å; C708-R718 PolarHBondContact O-NH1 2.79Å; C713-R718 VanDerWaalsContact O-CB 3.3Å; C713-R718 WeakPolarHBondContact O-CB 3.38Å; C713-R718 VanDerWaalsContact O-CG 3.28Å; C713-R718 WeakPolarHBondContact O-CG 3.5Å; C713-R718 PolarHBondContact O-N 3.33Å
719	R	59.8	Low	75.2	Confident	147 Å²	147	68.9 Å²	68.9	56%	0.555	36%	0.356	S	S	*	.	S	Bend	trans	-120.7	-8.8	175.1	-74.3	-171.6	177.6	167.3	0.3	113.7	H616 N715 I717 N721	H616-R719 PolarHBondContact CE1-NH1 2.99Å; H616-R719 PolarHBondContact NE2-NH1 3.35Å; N715-R719 PolarHBondContact OD1-NH1 2.89Å; N715-R719 PolarHBondContact OD1-NH2 2.95Å; I717-R719 VanDerWaalsContact C-N 3.29Å; I717-R719 PolarHBondContact O-N 2.7Å; R719-N721 VanDerWaalsContact C-N 3.35Å
720	S	51.8	Low	74.2	Confident	64 Å²	64	65 Å²	65	45%	0.448	33%	0.327	S	S	.	.			trans	-86.8	-9.9	169.8	37.7	0	0	0	0	112.5	Q689 I717	Q689-S720 PolarHBondContact OE1-OG 3.16Å; I717-S720 PolarHBondContact O-OG 3.12Å
721	N	38.1	Very low	73.1	Confident	166 Å²	166	66.5 Å²	66.5	89%	0.888	33%	0.327	S	S	*	.			trans	-115.7	0	171	-59.3	-82.1	0	0	0	109.2	Q689 I717 R719	Q689-N721 PolarHBondContact OE1-ND2 2.85Å; I717-N721 PolarHBondContact O-ND2 3.3Å; R719-N721 VanDerWaalsContact C-N 3.35Å

Retrieved 721 of 721 residues in 479.8 ms (Link to these results)

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