A0A087Y079_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087Y079, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 715 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	40.5	Very low	36.4	Very low	243 Å²	243	169.7 Å²	169.7	100%	1.197	83%	0.831	S	S	*	*				0	85.6	0	-92.8	-158.9	-84.5	0	0	107
2	E	35.4	Very low	36.5	Very low	189 Å²	189	167.3 Å²	167.3	88%	0.883	82%	0.817	S	S	*	*			trans	-173.6	139.4	151.7	-105.4	170.1	-174.1	0	0	104.3
3	E	36	Very low	36.3	Very low	186 Å²	186	165.2 Å²	165.2	87%	0.869	80%	0.804	S	S	*	*			trans	75	82.8	-178.8	-57.7	-170.8	162.7	0	0	118.5
4	L	29.1	Very low	36.1	Very low	175 Å²	175	162.4 Å²	162.4	92%	0.916	79%	0.794	S	S	*	*			trans	-155.9	72.9	143.9	-114.2	138.7	0	0	0	110.1
5	H	37.4	Very low	36.1	Very low	194 Å²	194	159.3 Å²	159.3	90%	0.898	78%	0.781	S	S	*	*			trans	-121.5	108.4	160.4	-85.9	-68.8	0	0	0	108.4
6	S	33.9	Very low	36	Very low	109 Å²	109	157.6 Å²	157.6	76%	0.762	77%	0.771	S	S	*	*				176.9	119	129.4	67	0	0	0	0	110.4
7	L	31.8	Very low	36	Very low	174 Å²	174	153.1 Å²	153.1	91%	0.911	77%	0.765	S	S	*	*			trans	-135.1	105.2	142	-79.1	176.8	0	0	0	106.6
8	D	40.7	Very low	36	Very low	106 Å²	106	157.6 Å²	157.6	57%	0.567	77%	0.771	S	S	*	*			trans	-75.9	121.9	-177.4	179.6	3.2	0	0	0	110.5	R10 R11	D8-R10 PolarHBondContact O-N 2.89Å; D8-R10 VanDerWaalsContact O-N 3.11Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.35Å; D8-R10 PolarHBondContact OD1-N 3.11Å; D8-R11 PolarHBondContact O-N 3.46Å
9	P	36.1	Very low	36.1	Very low	106 Å²	106	156.9 Å²	156.9	69%	0.688	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-16	176.9	-23	33.4	0	0	0	114.9	R11 Q12	P9-R11 PolarHBondContact O-N 3.23Å; P9-Q12 PolarHBondContact O-N 3.14Å
10	R	35.6	Very low	36.1	Very low	181 Å²	181	157.9 Å²	157.9	68%	0.683	77%	0.769	S	S	*	*	H	α-helix	trans	-70.4	-16	-176.8	-143.2	172.5	-168.2	178.8	2.4	114.2	D8 Q12	D8-R10 PolarHBondContact O-N 2.89Å; D8-R10 VanDerWaalsContact O-N 3.11Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.35Å; D8-R10 PolarHBondContact OD1-N 3.11Å; R10-Q12 VanDerWaalsContact C-N 3.32Å
11	R	43.9	Very low	35.7	Very low	204 Å²	204	154.4 Å²	154.4	77%	0.77	77%	0.774	S	S	*	*	H	α-helix	trans	-74.1	-20.2	174.4	-96.8	-175.4	170.5	-178.6	-1.8	113.6	D8 P9	D8-R11 PolarHBondContact O-N 3.46Å; P9-R11 PolarHBondContact O-N 3.23Å
12	Q	37.8	Very low	35	Very low	141 Å²	141	146.2 Å²	146.2	66%	0.659	75%	0.753	S	S	*	*	H	α-helix	trans	-81.6	-36.6	-178.4	-163.9	161.8	-13.4	0	0	112.1	P9 R10 L15 E16	P9-Q12 PolarHBondContact O-N 3.14Å; R10-Q12 VanDerWaalsContact C-N 3.32Å; Q12-L15 PolarHBondContact O-N 3.32Å; Q12-E16 PolarHBondContact O-N 2.89Å
13	E	33.7	Very low	34.6	Very low	140 Å²	140	144.1 Å²	144.1	65%	0.654	75%	0.753	S	S	*	*	H	α-helix	trans	-68.4	-32.9	175.4	-86.5	-176.8	142.5	0	0	113.5	L15 E16 A17	E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.31Å; E13-E16 PolarHBondContact O-N 3.38Å; E13-A17 PolarHBondContact O-N 3.03Å
14	L	34.2	Very low	34.1	Very low	126 Å²	126	140.7 Å²	140.7	66%	0.66	75%	0.749	S	S	*	*	H	α-helix	trans	-71.4	-21.3	178.4	-81.4	165.6	0	0	0	113.4
15	L	35.2	Very low	33.8	Very low	115 Å²	115	136.1 Å²	136.1	60%	0.602	74%	0.744	S	S	*	*	H	α-helix	trans	-77.3	-42.6	173.2	-98.5	145.8	0	0	0	110.8	Q12 E13 A17 R18 F19	Q12-L15 PolarHBondContact O-N 3.32Å; E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.31Å; L15-A17 PolarHBondContact O-N 2.95Å; L15-R18 PolarHBondContact O-N 3.41Å; L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å
16	E	35.2	Very low	33.2	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.621	74%	0.742	S	S	*	*	H	α-helix	trans	-67.1	-34.3	179.6	-72	180	174.5	0	0	112.7	Q12 E13 R18 F19	Q12-E16 PolarHBondContact O-N 2.89Å; E13-E16 PolarHBondContact O-N 3.38Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.32Å; E16-F19 PolarHBondContact O-N 3.3Å
17	A	34.8	Very low	32.7	Very low	80 Å²	80	134.3 Å²	134.3	66%	0.661	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	178.9	0	0	0	0	0	115	E13 L15	E13-A17 PolarHBondContact O-N 3.03Å; L15-A17 PolarHBondContact O-N 2.95Å
18	R	37.3	Very low	32.5	Very low	234 Å²	234	130.1 Å²	130.1	88%	0.883	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-14	174.3	-95.1	-174.3	-175.6	-179.1	2	114.1	L15 E16	L15-R18 PolarHBondContact O-N 3.41Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.32Å
19	F	37.9	Very low	31.7	Very low	146 Å²	146	128.7 Å²	128.7	64%	0.64	76%	0.756	S	S	*	*	S	Bend	trans	-91.2	-7.8	-175.6	-83.3	-76.6	0	0	0	114.1	L15 E16	L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å; E16-F19 PolarHBondContact O-N 3.3Å
20	M	36.1	Very low	31.2	Very low	175 Å²	175	128.9 Å²	128.9	86%	0.862	76%	0.76	S	S	*	*			trans	-131.2	93.6	-176.1	-67.1	-167.9	65.2	0	0	113.5
21	G	27.4	Very low	30.7	Very low	85 Å²	85	126.1 Å²	126.1	88%	0.876	76%	0.764	S	S	*	*			trans	144.8	127.9	161.1	0	0	0	0	0	112.4
22	G	26.1	Very low	29.9	Very low	72 Å²	72	122.7 Å²	122.7	74%	0.742	77%	0.77	S	S	*	*			cis	173.8	143.8	-1.3	0	0	0	0	0	107.9
23	V	25.9	Very low	29.2	Very low	145 Å²	145	120.7 Å²	120.7	88%	0.879	77%	0.771	S	S	*	*			trans	-141.8	113.2	161.4	178.8	0	0	0	0	109.4
24	S	25.5	Very low	28.8	Very low	113 Å²	113	120.5 Å²	120.5	79%	0.79	78%	0.78	S	S	*	*			trans	-59.7	145.2	164.7	47.8	0	0	0	0	112.8
25	G	23.6	Very low	28.3	Very low	79 Å²	79	120 Å²	120	81%	0.814	79%	0.787	S	S	*	*			trans	-82.1	-172.8	-166.3	0	0	0	0	0	118.5
26	S	24.8	Very low	27.9	Very low	123 Å²	123	118.4 Å²	118.4	86%	0.86	80%	0.798	S	S	*	*			trans	-159.6	136.7	150.4	-172.1	0	0	0	0	110.3
27	T	24	Very low	27.4	Very low	143 Å²	143	116 Å²	116	88%	0.877	81%	0.809	S	S	*	*			trans	-89.7	158.8	-176.1	24.4	0	0	0	0	114.3
28	G	25.9	Very low	26.9	Very low	86 Å²	86	118.5 Å²	118.5	89%	0.887	82%	0.816	S	S	*	*			trans	106.8	135.8	157.6	0	0	0	0	0	114.5
29	G	24.9	Very low	26.4	Very low	75 Å²	75	117.4 Å²	117.4	77%	0.773	82%	0.818	S	S	*	*			cis	151.9	142.7	6	0	0	0	0	0	109.4
30	S	25.8	Very low	25.9	Very low	110 Å²	110	114 Å²	114	77%	0.769	82%	0.824	S	S	*	*			trans	67.7	110.6	160.4	-104.9	0	0	0	0	121.1
31	T	25	Very low	25.4	Very low	123 Å²	123	113.7 Å²	113.7	76%	0.755	83%	0.825	S	S	*	*				63.2	109.9	87.5	65.6	0	0	0	0	116.5
32	C	25.7	Very low	25.2	Very low	133 Å²	133	116.2 Å²	116.2	90%	0.899	82%	0.823	S	S	*	*				-175.8	148.9	119.5	-120.5	0	0	0	0	113.6
33	S	23.9	Very low	25.1	Very low	99 Å²	99	118.8 Å²	118.8	69%	0.692	82%	0.82	S	S	*	*			trans	-95.7	155.3	-173.2	37.2	0	0	0	0	113.4
34	T	26	Very low	25	Very low	135 Å²	135	120 Å²	120	83%	0.828	82%	0.822	S	S	*	*			trans	151.9	108.2	147.2	39.7	0	0	0	0	108.9
35	S	24	Very low	24.9	Very low	116 Å²	116	119.8 Å²	119.8	81%	0.811	81%	0.808	S	S	*	*				68.4	110.1	78.5	73.2	0	0	0	0	115.7
36	G	25.3	Very low	24.9	Very low	82 Å²	82	122.1 Å²	122.1	85%	0.845	81%	0.811	S	S	*	*			trans	136.7	119.6	147.8	0	0	0	0	0	117.5
37	G	25.1	Very low	24.9	Very low	81 Å²	81	120.7 Å²	120.7	84%	0.835	80%	0.801	S	S	*	*			trans	97.4	91.8	130.1	0	0	0	0	0	119.2
38	T	25.1	Very low	25	Very low	134 Å²	134	121 Å²	121	82%	0.822	80%	0.797	S	S	*	*			trans	-45.4	144	163.9	47.5	0	0	0	0	116.7
39	K	27.2	Very low	25	Very low	210 Å²	210	123.2 Å²	123.2	91%	0.913	78%	0.784	S	S	*	*				-171.5	130.5	127.5	-101.2	166.1	-172.9	-175.7	0	110.4
40	G	26.3	Very low	25	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	77%	0.772	S	S	*	*			trans	-85.6	153.1	-167.4	0	0	0	0	0	115.2
41	L	25.3	Very low	25.2	Very low	169 Å²	169	123 Å²	123	89%	0.885	76%	0.757	S	S	*	*			trans	-142.5	149.6	160.6	-80.6	169	0	0	0	109
42	T	24.6	Very low	25.3	Very low	139 Å²	139	120.4 Å²	120.4	85%	0.853	76%	0.755	S	S	*	*			trans	-78.9	123.4	-154.9	44.5	0	0	0	0	114.4
43	N	22.9	Very low	25.4	Very low	125 Å²	125	117.8 Å²	117.8	67%	0.668	74%	0.738	S	S	*	*			trans	-72.6	136.2	168.7	-81.4	-8.5	0	0	0	111.8	E45	N43-E45 HydrophobicContact CB-CG 4.47Å
44	N	23.9	Very low	25.7	Very low	172 Å²	172	115.9 Å²	115.9	92%	0.92	72%	0.72	S	S	*	*			trans	-109.8	99.1	156.5	-104.1	-4.4	0	0	0	107.7
45	E	24.2	Very low	25.9	Very low	107 Å²	107	112.3 Å²	112.3	50%	0.5	71%	0.71	S	S	.	*			trans	-82.9	130.6	174.5	-71.9	175.3	176.3	0	0	110.3	N43 Q266	N43-E45 HydrophobicContact CB-CG 4.47Å; E45-Q266 PolarHBondContact OE1-NE2 3.13Å; E45-Q266 PolarHBondContact OE2-NE2 3.1Å
46	C	23.1	Very low	26	Very low	128 Å²	128	111.1 Å²	111.1	87%	0.865	70%	0.702	S	S	*	*			trans	-111.5	108.2	165.5	-77.4	0	0	0	0	108.6
47	S	25	Very low	26.2	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	70%	0.696	S	S	*	*			trans	-93	98.8	178.4	41.2	0	0	0	0	110.7
48	N	25.5	Very low	26.3	Very low	148 Å²	148	115 Å²	115	79%	0.791	69%	0.691	S	S	*	*			trans	-97.2	89.3	165.9	-89.1	-26.9	0	0	0	109.7
49	H	26.6	Very low	26.5	Very low	134 Å²	134	115.8 Å²	115.8	62%	0.62	69%	0.691	S	S	*	*			trans	-91.3	112	168.8	-70.7	-46.8	0	0	0	109.7
50	S	25.1	Very low	26.6	Very low	73 Å²	73	115.3 Å²	115.3	51%	0.51	69%	0.689	S	S	.	*			trans	-131.7	99.7	166.3	-169.7	0	0	0	0	109.3	K502	S50-K502 PolarHBondContact O-NZ 3.1Å; S50-K502 VanDerWaalsContact O-NZ 3.15Å
51	F	28.7	Very low	26.5	Very low	107 Å²	107	121.1 Å²	121.1	47%	0.469	70%	0.696	S	S	.	*			trans	-106.1	134.6	156.5	-75.7	-82.5	0	0	0	106.9	S53 R384 K387	F51-S53 PolarHBondContact O-N 3Å; F51-S53 VanDerWaalsContact O-N 3.1Å; F51-R384 HydrophobicContact CE1-CG 4.24Å; F51-R384 HydrophobicContact CZ-CG 4.22Å; F51-K387 HydrophobicContact CE2-CD 3.87Å; F51-K387 HydrophobicContact CZ-CD 4.19Å
52	G	27.7	Very low	26.6	Very low	68 Å²	68	118.4 Å²	118.4	70%	0.701	69%	0.691	S	S	*	*			trans	-54.9	113.6	-178.1	0	0	0	0	0	111.2
53	S	27.7	Very low	26.7	Very low	79 Å²	79	120.9 Å²	120.9	55%	0.552	69%	0.693	S	S	*	*			trans	-91	115	171.6	-165.5	0	0	0	0	107.5	F51 G55	F51-S53 PolarHBondContact O-N 3Å; F51-S53 VanDerWaalsContact O-N 3.1Å; S53-G55 PolarHBondContact O-N 2.89Å
54	L	30.8	Very low	26.8	Very low	58 Å²	58	121.1 Å²	121.1	30%	0.304	70%	0.699	S	S	.	*			trans	-64.2	124.9	156.4	-79.8	163.8	0	0	0	106.4	S56	L54-S56 PolarHBondContact O-N 2.7Å
55	G	29	Very low	27.1	Very low	61 Å²	61	118.7 Å²	118.7	63%	0.629	69%	0.693	S	S	*	*			trans	-41.4	119.3	-165.4	0	0	0	0	0	114.9	S53 L57	S53-G55 PolarHBondContact O-N 2.89Å; G55-L57 PolarHBondContact O-N 3.35Å
56	S	27.5	Very low	27.3	Very low	90 Å²	90	122.7 Å²	122.7	63%	0.629	71%	0.711	S	S	*	*			trans	-76.9	107.6	162.2	-177.3	0	0	0	0	108	L54 S58	L54-S56 PolarHBondContact O-N 2.7Å; S56-S58 PolarHBondContact O-N 3.06Å; S56-S58 VanDerWaalsContact O-N 3.16Å
57	L	29.5	Very low	27.5	Very low	139 Å²	139	126.5 Å²	126.5	73%	0.728	71%	0.713	S	S	*	*			trans	-60.6	110.3	161.3	-78	158.6	0	0	0	108.2	G55	G55-L57 PolarHBondContact O-N 3.35Å
58	S	27.4	Very low	27.5	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	72%	0.722	S	S	*	*			trans	-123.8	102.4	164.2	66.9	0	0	0	0	109.2	S56	S56-S58 PolarHBondContact O-N 3.06Å; S56-S58 VanDerWaalsContact O-N 3.16Å
59	D	29.4	Very low	27.6	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	72%	0.724	S	S	*	*			trans	-85.5	122	162.2	-73.4	-39.3	0	0	0	108.7
60	K	27.6	Very low	27.5	Very low	200 Å²	200	131.2 Å²	131.2	87%	0.87	73%	0.729	S	S	*	*			trans	-101.7	113.3	150.6	-93	-171.5	173.4	-176.8	0	106.2	S62	K60-S62 PolarHBondContact O-N 3.32Å
61	E	25.1	Very low	27.5	Very low	196 Å²	196	136 Å²	136	92%	0.916	74%	0.743	S	S	*	*			trans	-56.8	132.1	164.8	-72.7	-179.9	139.4	0	0	109.4
62	S	26.5	Very low	27.5	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	76%	0.755	S	S	*	*			trans	-120.8	109.8	164.9	32.4	0	0	0	0	107.7	K60 T64	K60-S62 PolarHBondContact O-N 3.32Å; S62-T64 PolarHBondContact O-N 3.01Å
63	E	26.9	Very low	27.4	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-57.2	126.8	168.2	-71.6	-179.5	142.5	0	0	109.7
64	T	26.5	Very low	27.5	Very low	131 Å²	131	147.2 Å²	147.2	80%	0.804	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75	135.4	168.9	44	0	0	0	0	110.9	S62	S62-T64 PolarHBondContact O-N 3.01Å
65	P	29.4	Very low	27.4	Very low	120 Å²	120	147.8 Å²	147.8	78%	0.779	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-103.6	119.8	153.7	30	-19.3	0	0	0	110.3
66	E	27.5	Very low	27.5	Very low	192 Å²	192	156.4 Å²	156.4	90%	0.897	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58.9	135.4	167.4	-67.5	-173.1	134.7	0	0	110.9
67	K	28.3	Very low	27.5	Very low	207 Å²	207	161 Å²	161	90%	0.9	82%	0.818	S	S	*	*			trans	-110.4	113.2	168.7	-111.1	-177.8	179.1	176.8	0	109
68	K	25.6	Very low	27.7	Very low	196 Å²	196	165.8 Å²	165.8	85%	0.852	83%	0.826	S	S	*	*			trans	-138	114.8	155.5	-96.2	-174.8	178.2	176.9	0	111.7
69	Q	26.5	Very low	27.9	Very low	176 Å²	176	170.1 Å²	170.1	82%	0.822	83%	0.832	S	S	*	*			trans	43.1	110.3	138.2	-68.9	177	-8.4	0	0	122.1
70	S	25.6	Very low	28.7	Very low	103 Å²	103	167.2 Å²	167.2	72%	0.72	82%	0.822	S	S	*	*				30.5	119.2	124.9	63.1	0	0	0	0	121.6
71	E	24.9	Very low	28.7	Very low	175 Å²	175	165.7 Å²	165.7	82%	0.818	82%	0.817	S	S	*	*				158.5	155.2	102.7	-84	-157.1	144.3	0	0	113
72	T	27.8	Very low	29	Very low	118 Å²	118	162.3 Å²	162.3	72%	0.724	80%	0.804	S	S	*	*			trans	90.4	96.9	156.7	68.1	0	0	0	0	122.1
73	T	26.5	Very low	29.1	Very low	121 Å²	121	165.4 Å²	165.4	74%	0.742	81%	0.806	S	S	*	*				47.7	140.7	119.6	46.8	0	0	0	0	125
74	R	30.2	Very low	29.2	Very low	250 Å²	250	160.4 Å²	160.4	94%	0.943	79%	0.793	S	S	*	*			trans	81.9	133.5	159	-66.4	167.2	177.1	175.5	0.2	115.1
75	G	27.2	Very low	29.2	Very low	70 Å²	70	162.9 Å²	162.9	72%	0.722	80%	0.795	S	S	*	*			cis	152.5	158.6	7.5	0	0	0	0	0	109.4
76	R	30.8	Very low	29.2	Very low	242 Å²	242	161.6 Å²	161.6	91%	0.913	79%	0.789	S	S	*	*			trans	84.6	108.8	171.8	-70.4	178.5	167.8	171.7	-4	116.9
77	K	29.3	Very low	29.3	Very low	186 Å²	186	156.6 Å²	156.6	81%	0.809	78%	0.775	S	S	*	*				77.6	105.7	74.3	-87.2	-168.3	176.4	-178.1	0	113
78	R	32.8	Very low	29.4	Very low	239 Å²	239	156.3 Å²	156.3	90%	0.902	78%	0.777	S	S	*	*				173.8	130.2	103.2	-92.3	171	-175.6	162.8	-0.1	111.8
79	K	30.9	Very low	29.5	Very low	197 Å²	197	150.1 Å²	150.1	86%	0.857	77%	0.769	S	S	*	*			trans	-70.2	-171.1	159.9	-124.9	-173	174.6	-175.8	0	109.5
80	P	46.8	Very low	29.8	Very low	91 Å²	91	151.8 Å²	151.8	59%	0.591	77%	0.774	S	S	*	*			cis	-127	-179.8	-25.6	23.3	2.1	0	0	0	110.1
81	E	28.1	Very low	29.9	Very low	167 Å²	167	152.7 Å²	152.7	78%	0.78	78%	0.78	S	S	*	*				175.8	125.7	85.1	-89	-172.1	161	0	0	106.9
82	I	30	Very low	30.2	Very low	126 Å²	126	148.8 Å²	148.8	65%	0.646	78%	0.778	S	S	*	*				84.4	114	79.8	-72.5	176.6	0	0	0	113.3
83	Q	28.7	Very low	30.4	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	78%	0.779	S	S	*	*			trans	63.5	147.8	145.9	-74.2	167.8	12.5	0	0	118.2
84	S	29.2	Very low	30.6	Very low	86 Å²	86	154.5 Å²	154.5	60%	0.601	79%	0.786	S	S	*	*			cis	-177.1	155.3	9.8	33.3	0	0	0	0	107.4
85	E	27.4	Very low	30.5	Very low	182 Å²	182	146 Å²	146	85%	0.85	78%	0.776	S	S	*	*			trans	60.7	149.6	142.7	-72.3	178.6	165.3	0	0	119.4
86	S	28.9	Very low	31.3	Very low	93 Å²	93	148.4 Å²	148.4	65%	0.65	78%	0.779	S	S	*	*			cis	-173.2	159.2	-10.7	50.8	0	0	0	0	107
87	S	29.8	Very low	31.3	Very low	87 Å²	87	145.7 Å²	145.7	61%	0.608	77%	0.774	S	S	*	*			trans	64.6	119	139.1	57.4	0	0	0	0	123
88	Q	30.4	Very low	31.3	Very low	201 Å²	201	143.5 Å²	143.5	94%	0.939	77%	0.77	S	S	*	*				62.3	136.1	128.3	-60.4	-179.8	-6.1	0	0	118.6
89	G	28.6	Very low	31.1	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	76%	0.755	S	S	*	*			cis	162.8	160	4.6	0	0	0	0	0	109.2
90	K	31.4	Very low	31	Very low	211 Å²	211	133.3 Å²	133.3	92%	0.917	75%	0.749	S	S	*	*			trans	59.5	142.5	162.4	-58.4	179.5	-179.9	177.1	0	115.6
91	S	28.9	Very low	30.1	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	76%	0.756	S	S	*	*			cis	-169.9	163.9	38.1	11	0	0	0	0	109.9
92	A	31.5	Very low	30.3	Very low	93 Å²	93	139.5 Å²	139.5	77%	0.769	76%	0.76	S	S	*	*			trans	-52.4	163.7	179.5	0	0	0	0	0	116.9
93	V	31	Very low	30.2	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	76%	0.762	S	S	*	*				171.8	128	120.2	153.8	0	0	0	0	112.4
94	R	31.7	Very low	30.1	Very low	233 Å²	233	139.3 Å²	139.3	88%	0.879	76%	0.759	S	S	*	*			trans	55.1	131.2	148.4	-67.6	172.3	-172.2	-174.9	-0.1	122.4
95	G	28.2	Very low	30.1	Very low	71 Å²	71	143.4 Å²	143.4	73%	0.732	77%	0.768	S	S	*	*			trans	-70	-161.2	159.8	0	0	0	0	0	113.2
96	P	42.1	Very low	30	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	77%	0.768	S	S	*	*			cis	-147.3	172.9	30.1	40.5	-18.5	0	0	0	118.4
97	K	31.4	Very low	29.9	Very low	185 Å²	185	137.6 Å²	137.6	80%	0.804	77%	0.772	S	S	*	*			trans	28.6	152.2	137	-63.9	-174	177.4	-177.4	0	126
98	I	29.6	Very low	29.8	Very low	140 Å²	140	141.9 Å²	141.9	72%	0.718	79%	0.788	S	S	*	*			trans	82.2	115.1	141.3	-83.5	157.8	0	0	0	115.7
99	S	27.6	Very low	29.7	Very low	84 Å²	84	135.7 Å²	135.7	59%	0.587	78%	0.778	S	S	*	*				76.6	122.3	67.8	95.5	0	0	0	0	115.5
100	D	29.1	Very low	29.8	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	79%	0.787	S	S	*	*			trans	97.5	143.6	151.1	-49.3	-39.8	0	0	0	122.3
101	Y	28.5	Very low	29.7	Very low	191 Å²	191	133.9 Å²	133.9	75%	0.749	78%	0.782	S	S	*	*			trans	86.9	112.5	160.7	-87.9	-92.9	0	0	0	120.5
102	F	31.6	Very low	30.5	Very low	197 Å²	197	133.8 Å²	133.8	86%	0.864	78%	0.778	S	S	*	*				-171.4	130.5	97.2	-104.3	-79.8	0	0	0	112.5
103	D	29.6	Very low	30.4	Very low	128 Å²	128	135.2 Å²	135.2	68%	0.684	78%	0.777	S	S	*	*			trans	-76.1	148.5	156.4	-79.2	-49.4	0	0	0	110.6
104	F	26	Very low	30.4	Very low	170 Å²	170	140.9 Å²	140.9	75%	0.746	79%	0.785	S	S	*	*				165	127.9	117.1	-115.9	-114.3	0	0	0	114.2
105	Q	28.4	Very low	30.1	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	78%	0.779	S	S	*	*			trans	59	132.1	135.3	-80.9	-175.7	-10.2	0	0	126.1
106	G	26.8	Very low	30.3	Very low	83 Å²	83	138.1 Å²	138.1	86%	0.856	79%	0.787	S	S	*	*			trans	112	128.1	133.9	0	0	0	0	0	114.5
107	G	25.9	Very low	30.2	Very low	71 Å²	71	137 Å²	137	73%	0.732	78%	0.78	S	S	*	*			cis	164.2	154.8	3.7	0	0	0	0	0	110
108	N	27.7	Very low	30.5	Very low	177 Å²	177	134.4 Å²	134.4	95%	0.947	78%	0.782	S	S	*	*			trans	69.3	131.5	155.5	-73.6	15.3	0	0	0	123.3
109	G	27.9	Very low	30.6	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	79%	0.787	S	S	*	*			trans	171.5	58.9	159.8	0	0	0	0	0	118.2
110	S	30.5	Very low	30.8	Very low	126 Å²	126	138.1 Å²	138.1	88%	0.881	80%	0.8	S	S	*	*			trans	61.1	116.8	141.2	-49.4	0	0	0	0	123.1
111	S	30.8	Very low	30.8	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	81%	0.807	S	S	*	*			trans	-86.8	164.5	149.2	-74.8	0	0	0	0	110.9
112	P	43.9	Very low	30.8	Very low	120 Å²	120	139.3 Å²	139.3	78%	0.779	81%	0.811	S	S	*	*				-147.5	141.9	95	29.4	-7.9	0	0	0	117.8
113	V	29.6	Very low	31.4	Very low	123 Å²	123	135.4 Å²	135.4	75%	0.745	81%	0.806	S	S	*	*				85.3	117.1	126.8	177	0	0	0	0	122.4
114	R	31	Very low	31.4	Very low	244 Å²	244	138.9 Å²	138.9	92%	0.921	82%	0.818	S	S	*	*			trans	50.1	125	141.2	-72.1	177.6	-178.2	174.6	0.6	122.1
115	G	26.3	Very low	31.5	Very low	73 Å²	73	138 Å²	138	75%	0.753	82%	0.821	S	S	*	*			trans	167	112.6	142.9	0	0	0	0	0	114.2
116	L	31.3	Very low	31.6	Very low	172 Å²	172	133.6 Å²	133.6	90%	0.901	81%	0.809	S	S	*	*			trans	-143.1	157.5	161.1	-79	175.3	0	0	0	107.3
117	P	40.4	Very low	31.8	Very low	99 Å²	99	137.8 Å²	137.8	64%	0.643	81%	0.806	S	S	*	*			cis	-134.5	-173	-39.6	36.3	-18.8	0	0	0	111.1
118	P	37.6	Very low	32	Very low	130 Å²	130	139.2 Å²	139.2	84%	0.844	80%	0.804	S	S	*	*			trans	-130.1	135.5	143.2	34.2	-21.1	0	0	0	112.6
119	V	32.3	Very low	32.1	Very low	137 Å²	137	139.4 Å²	139.4	83%	0.83	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-98.6	127.6	174.3	175.2	0	0	0	0	108.9
120	L	31.5	Very low	32.3	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.8	145.6	169.9	-85.7	163.7	0	0	0	111.1
121	R	29.6	Very low	32.4	Very low	237 Å²	237	139.4 Å²	139.4	89%	0.894	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.3	154.6	179.2	-71.8	172.6	169.1	167.8	-4	114
122	S	28.9	Very low	32.4	Very low	117 Å²	117	143.8 Å²	143.8	82%	0.818	80%	0.802	S	S	*	*				-169.8	-179.7	114.4	-65.6	0	0	0	0	109.2
123	P	42.9	Very low	31.7	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	80%	0.798	S	S	*	*				-121.7	149	-115.8	29	-6.5	0	0	0	113.8
124	Q	29.9	Very low	31.6	Very low	201 Å²	201	142.6 Å²	142.6	94%	0.939	81%	0.806	S	S	*	*			trans	-143.5	137.8	162.9	-79.5	-165	-29.7	0	0	115.4
125	N	28.5	Very low	31.6	Very low	152 Å²	152	135 Å²	135	81%	0.813	80%	0.796	S	S	*	*			trans	-75.4	145.9	173.3	-125.3	-2.9	0	0	0	110.5
126	S	29.7	Very low	31.9	Very low	78 Å²	78	138.2 Å²	138.2	55%	0.545	80%	0.8	S	S	.	*			trans	37.7	110.9	140.9	63.3	0	0	0	0	120.1
127	H	31.5	Very low	31.8	Very low	171 Å²	171	141.5 Å²	141.5	79%	0.792	80%	0.8	S	S	*	*				162.6	123.3	104.9	-90.9	-67.8	0	0	0	112.5
128	S	30.5	Very low	31.7	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	81%	0.81	S	S	*	*			trans	31.3	116.3	142.5	57	0	0	0	0	121.1
129	Q	29.8	Very low	31.2	Very low	181 Å²	181	146.7 Å²	146.7	85%	0.846	81%	0.81	S	S	*	*				-179.8	111.6	120.4	-100.5	-178	13	0	0	108.5
130	S	31.5	Very low	31.7	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	81%	0.806	S	S	*	*				68.1	98.2	100.9	70	0	0	0	0	115.6
131	A	33.5	Very low	31.7	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	80%	0.803	S	S	*	*			trans	47.9	112.4	131	0	0	0	0	0	120.7
132	Q	30.8	Very low	32.2	Very low	207 Å²	207	137 Å²	137	97%	0.967	80%	0.799	S	S	*	*			trans	-174	136	133.1	-95.7	175.1	18.3	0	0	104.5
133	G	27.8	Very low	33	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	79%	0.794	S	S	*	*			cis	170.2	170.2	2.2	0	0	0	0	0	106.4
134	V	29	Very low	32.5	Very low	151 Å²	151	138.4 Å²	138.4	92%	0.915	80%	0.795	S	S	*	*			trans	97.4	131.4	155.2	-171.3	0	0	0	0	119.4
135	A	29.9	Very low	32.6	Very low	86 Å²	86	135.7 Å²	135.7	71%	0.711	79%	0.787	S	S	*	*			trans	88.9	95.5	148.4	0	0	0	0	0	120.1
136	V	33.5	Very low	32.7	Very low	139 Å²	139	136.2 Å²	136.2	84%	0.842	79%	0.787	S	S	*	*			trans	-50.8	124.1	142	174.7	0	0	0	0	110.5
137	R	29.1	Very low	32.9	Very low	241 Å²	241	137.2 Å²	137.2	91%	0.909	79%	0.793	S	S	*	*			trans	-143.6	128.1	142.8	-87.1	-162.1	175.9	-171.6	-1.2	110.2
138	Q	37	Very low	32.9	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	80%	0.798	S	S	*	*			trans	-63.4	134.7	166.6	-68.4	172	-23.6	0	0	109.8
139	N	29	Very low	33.1	Very low	158 Å²	158	137.5 Å²	137.5	85%	0.845	80%	0.801	S	S	*	*			trans	-164.9	136.3	134.1	-110.6	-3.6	0	0	0	111.5
140	S	40.9	Very low	33.4	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	80%	0.801	S	S	*	*			trans	-53.8	145.9	169.9	47.4	0	0	0	0	114.3
141	S	31.6	Very low	33.5	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	81%	0.81	S	S	*	*			trans	-170.8	135.4	139.2	24.9	0	0	0	0	111.5
142	S	40.6	Very low	33.9	Very low	115 Å²	115	144.2 Å²	144.2	80%	0.804	81%	0.812	S	S	*	*			trans	-58.4	168.6	170.3	-40.1	0	0	0	0	112.9
143	P	46.4	Very low	34.6	Very low	110 Å²	110	140 Å²	140	71%	0.714	80%	0.803	S	S	*	*				-142.6	131.8	120.9	24.8	-4	0	0	0	113.7
144	I	32.5	Very low	35.4	Very low	152 Å²	152	143.4 Å²	143.4	78%	0.779	81%	0.805	S	S	*	*				98.4	112.6	91	-69.6	168.1	0	0	0	112.1
145	N	31.8	Very low	36.1	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	80%	0.795	S	S	*	*			trans	-58.6	137.6	158.9	-100.3	-18.1	0	0	0	111.5
146	M	30.5	Very low	36.6	Very low	164 Å²	164	146 Å²	146	81%	0.808	80%	0.799	S	S	*	*			trans	-129.5	108.5	149.3	-77.5	-99.1	85.1	0	0	108
147	S	33.8	Very low	37.2	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	80%	0.802	S	S	*	*			trans	-78.5	137.3	168.4	-56.2	0	0	0	0	109.9
148	F	31.8	Very low	37.7	Very low	204 Å²	204	145 Å²	145	90%	0.895	80%	0.8	S	S	*	*			trans	-135.1	125.5	152.1	-94.9	-82.8	0	0	0	108.8
149	G	35.4	Very low	38.1	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	79%	0.79	S	S	*	*			trans	-83.5	166.4	-178.2	0	0	0	0	0	113.8
150	D	35	Very low	38.8	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	78%	0.784	S	S	*	*			trans	-41.5	142.2	177.8	-79.2	-45.8	0	0	0	116.4
151	Q	33.3	Very low	39.1	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.883	79%	0.786	S	S	*	*				-166	131.3	111.1	-101.8	176.6	23.7	0	0	112.1
152	M	41.7	Very low	40	Very low	169 Å²	169	146 Å²	146	83%	0.833	79%	0.787	S	S	*	*			trans	-62	152.1	168.9	-82.8	-82	167.1	0	0	112.1
153	P	45.1	Very low	40.4	Very low	119 Å²	119	146.4 Å²	146.4	77%	0.773	79%	0.785	S	S	*	*				-137.3	150.9	97.8	34	-19.6	0	0	0	114.7
154	N	44.6	Very low	40.7	Very low	138 Å²	138	146.7 Å²	146.7	74%	0.738	78%	0.777	S	S	*	*			trans	-43.6	149.6	172.3	-157.8	4.7	0	0	0	113.7	K156	N154-K156 PolarHBondContact OD1-N 2.98Å
155	P	44.7	Very low	42	Very low	107 Å²	107	143 Å²	143	70%	0.695	76%	0.762	S	S	*	*				-145.7	140.5	104.3	34.4	-17.2	0	0	0	116
156	K	39.3	Very low	43.3	Very low	185 Å²	185	142.7 Å²	142.7	80%	0.804	76%	0.76	S	S	*	*			trans	50	107.6	137	-61.5	-177.7	179.7	178.9	0	117.6	N154 L158	N154-K156 PolarHBondContact OD1-N 2.98Å; K156-L158 PolarHBondContact O-N 3.41Å; K156-L158 VanDerWaalsContact O-N 3.14Å
157	Q	46.7	Very low	44.7	Very low	194 Å²	194	140.3 Å²	140.3	91%	0.907	75%	0.75	S	S	*	*			trans	-40.6	114.5	152.4	-87	173.3	-38.8	0	0	111.9
158	L	39.2	Very low	46.4	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	73%	0.734	S	S	*	*			trans	-122.4	93.7	145	-87.5	162.6	0	0	0	106.7	K156 V160	K156-L158 PolarHBondContact O-N 3.41Å; K156-L158 VanDerWaalsContact O-N 3.14Å; L158-V160 PolarHBondContact O-N 3.38Å; L158-V160 VanDerWaalsContact O-N 3.12Å
159	S	46.8	Very low	48.3	Very low	91 Å²	91	132.2 Å²	132.2	64%	0.636	71%	0.713	S	S	*	*			trans	-65.9	100.5	167.7	153.1	0	0	0	0	108.5
160	V	43.4	Very low	50.2	Low	118 Å²	118	134.5 Å²	134.5	72%	0.715	71%	0.707	S	S	*	*			trans	-102.1	89	153.7	-175.8	0	0	0	0	106.6	L158 F162	L158-V160 PolarHBondContact O-N 3.38Å; L158-V160 VanDerWaalsContact O-N 3.12Å; V160-F162 HydrophobicContact CG1-CD2 4.49Å; V160-F162 PolarHBondContact O-N 2.96Å; V160-F162 VanDerWaalsContact O-N 3.15Å
161	K	47.4	Very low	52.3	Low	178 Å²	178	133.1 Å²	133.1	77%	0.774	69%	0.693	S	S	*	*			trans	-68.8	103.3	167.8	-75.2	-179.7	178	-179.2	0	107.7	V163	K161-V163 PolarHBondContact O-N 3.38Å
162	F	50.1	Low	54.3	Low	194 Å²	194	128.4 Å²	128.4	85%	0.851	67%	0.674	S	S	*	*			trans	-66.1	116.7	151.8	-96.7	-90.1	0	0	0	106.7	V160 Q164	V160-F162 HydrophobicContact CG1-CD2 4.49Å; V160-F162 PolarHBondContact O-N 2.96Å; V160-F162 VanDerWaalsContact O-N 3.15Å; F162-Q164 PolarHBondContact O-N 3.04Å
163	V	49.5	Very low	56.2	Low	125 Å²	125	122.9 Å²	122.9	76%	0.758	66%	0.655	S	S	*	*			trans	-69	100.5	174.7	-179.2	0	0	0	0	107.3	K161 T165	K161-V163 PolarHBondContact O-N 3.38Å; V163-T165 PolarHBondContact O-N 3.5Å
164	Q	52.3	Low	57.9	Low	115 Å²	115	119.9 Å²	119.9	54%	0.537	64%	0.64	S	S	.	*			trans	-77.7	104.6	168.5	-153.8	171	6.5	0	0	106.8	F162 V169	F162-Q164 PolarHBondContact O-N 3.04Å; Q164-V169 HydrophobicContact CG-CG2 4.11Å
165	T	59.4	Low	59.7	Low	75 Å²	75	118.7 Å²	118.7	46%	0.46	63%	0.633	S	S	.	*			trans	-62.7	150.5	174.4	57.1	0	0	0	0	110.6	V163 L167 T168 V169	V163-T165 PolarHBondContact O-N 3.5Å; T165-L167 PolarHBondContact O-N 3.05Å; T165-T168 PolarHBondContact N-OG1 2.97Å; T165-T168 WeakPolarHBondContact O-CA 3.44Å; T165-T168 WeakPolarHBondContact O-CB 3.34Å; T165-T168 PolarHBondContact O-N 3.19Å; T165-T168 PolarHBondContact O-OG1 2.8Å; T165-T168 PolarHBondContact OG1-OG1 2.97Å; T165-V169 PolarHBondContact O-N 3.35Å
166	D	60	Low	61.6	Low	137 Å²	137	119.4 Å²	119.4	73%	0.733	63%	0.627	S	S	*	*	H	α-helix	trans	-53.9	-30	175.8	-67.7	-35.4	0	0	0	112.5	T168 V169 L170	D166-T168 VanDerWaalsContact C-N 3.32Å; D166-T168 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.48Å; D166-L170 PolarHBondContact O-N 3.49Å
167	L	59.3	Low	63.9	Low	114 Å²	114	114.3 Å²	114.3	60%	0.597	62%	0.615	S	S	*	*	H	α-helix	trans	-62.6	-34.2	173.6	-169.8	68.1	0	0	0	113.2	T165 K171	T165-L167 PolarHBondContact O-N 3.05Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.47Å
168	T	70.1	Confident	65.8	Low	58 Å²	58	109.4 Å²	109.4	36%	0.356	60%	0.598	S	S	.	*	H	α-helix	trans	-74.7	-33.8	175.6	11.1	0	0	0	0	112.4	T165 D166 L172	T165-T168 PolarHBondContact N-OG1 2.97Å; T165-T168 WeakPolarHBondContact O-CA 3.44Å; T165-T168 WeakPolarHBondContact O-CB 3.34Å; T165-T168 PolarHBondContact O-N 3.19Å; T165-T168 PolarHBondContact O-OG1 2.8Å; T165-T168 PolarHBondContact OG1-OG1 2.97Å; D166-T168 VanDerWaalsContact C-N 3.32Å; D166-T168 PolarHBondContact O-N 3.42Å; T168-L172 WeakPolarHBondContact O-CG 3.46Å; T168-L172 PolarHBondContact O-N 3.04Å; T168-L172 VanDerWaalsContact O-N 3.13Å
169	V	71.7	Confident	68.1	Low	74 Å²	74	108.7 Å²	108.7	45%	0.448	59%	0.588	S	S	.	*	H	α-helix	trans	-71.6	-43.9	177.2	178.6	0	0	0	0	110.9	Q164 T165 D166 K171 L172 A173	Q164-V169 HydrophobicContact CG-CG2 4.11Å; T165-V169 PolarHBondContact O-N 3.35Å; D166-V169 PolarHBondContact O-N 3.48Å; V169-K171 VanDerWaalsContact C-N 3.35Å; V169-K171 PolarHBondContact O-N 3.29Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-A173 PolarHBondContact O-N 3.44Å
170	L	75.5	Confident	70.1	Confident	123 Å²	123	108.5 Å²	108.5	64%	0.644	58%	0.58	S	S	*	*	H	α-helix	trans	-61.4	-39.9	174.2	-81.3	164.5	0	0	0	112.7	D166 A173 A174	D166-L170 PolarHBondContact O-N 3.49Å; L170-A173 PolarHBondContact O-N 3.4Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 2.91Å
171	K	77.6	Confident	72.3	Confident	129 Å²	129	107.1 Å²	107.1	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-63.6	-39.3	174.2	-81.4	178.7	178.5	-179.4	0	112.4	L167 V169 L175	L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.47Å; V169-K171 VanDerWaalsContact C-N 3.35Å; V169-K171 PolarHBondContact O-N 3.29Å; K171-L175 WeakPolarHBondContact O-CB 3.16Å; K171-L175 VanDerWaalsContact O-CG 3.26Å; K171-L175 WeakPolarHBondContact O-CG 3.19Å; K171-L175 PolarHBondContact O-N 3.46Å
172	L	76.7	Confident	74.3	Confident	90 Å²	90	102 Å²	102	47%	0.471	55%	0.549	S	S	.	.	H	α-helix	trans	-67.3	-43.6	176.1	-74	169.2	0	0	0	111.9	T168 V169 A174 L175 E176	T168-L172 WeakPolarHBondContact O-CG 3.46Å; T168-L172 PolarHBondContact O-N 3.04Å; T168-L172 VanDerWaalsContact O-N 3.13Å; V169-L172 PolarHBondContact O-N 2.99Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 2.88Å; L172-L175 PolarHBondContact O-N 2.86Å; L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.81Å
173	A	79.9	Confident	76.2	Confident	52 Å²	52	96.9 Å²	96.9	43%	0.43	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-39.1	176.1	0	0	0	0	0	112.4	V169 L170 E176 S177	V169-A173 PolarHBondContact O-N 3.44Å; L170-A173 PolarHBondContact O-N 3.4Å; A173-E176 PolarHBondContact O-N 3.16Å; A173-S177 WeakPolarHBondContact O-CB 3.39Å; A173-S177 PolarHBondContact O-N 3.44Å
174	A	81.1	Confident	78.1	Confident	56 Å²	56	97.1 Å²	97.1	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-40.2	174.8	0	0	0	0	0	112.3	L170 L172 T178	L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 2.88Å; A174-T178 WeakPolarHBondContact O-CB 3.28Å; A174-T178 PolarHBondContact O-N 3.46Å; A174-T178 PolarHBondContact O-OG1 3.2Å
175	L	82.8	Confident	80	Confident	113 Å²	113	98.3 Å²	98.3	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-42.6	173.8	-76.6	169.3	0	0	0	111.4	K171 L172 T178 K179	K171-L175 WeakPolarHBondContact O-CB 3.16Å; K171-L175 VanDerWaalsContact O-CG 3.26Å; K171-L175 WeakPolarHBondContact O-CG 3.19Å; K171-L175 PolarHBondContact O-N 3.46Å; L172-L175 PolarHBondContact O-N 2.86Å; L175-T178 PolarHBondContact O-N 3.2Å; L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 3.26Å
176	E	84.3	Confident	81.5	Confident	122 Å²	122	100 Å²	100	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-45.7	176.8	-171.9	172.4	-164.8	0	0	111.7	L172 A173 T178 K179 N180	L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.81Å; A173-E176 PolarHBondContact O-N 3.16Å; E176-T178 PolarHBondContact O-N 2.83Å; E176-K179 PolarHBondContact O-N 3.48Å; E176-N180 WeakPolarHBondContact O-CB 3.42Å; E176-N180 PolarHBondContact O-N 3.49Å; E176-N180 PolarHBondContact O-ND2 3.24Å
177	S	87.3	Confident	83.1	Confident	79 Å²	79	99 Å²	99	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-59.7	-43.4	173.8	177.4	0	0	0	0	112.4	A173 K179 N180 L181	A173-S177 WeakPolarHBondContact O-CB 3.39Å; A173-S177 PolarHBondContact O-N 3.44Å; S177-K179 VanDerWaalsContact C-N 3.34Å; S177-K179 PolarHBondContact O-N 3.15Å; S177-N180 PolarHBondContact O-N 2.97Å; S177-L181 PolarHBondContact O-N 2.9Å
178	T	87.8	Confident	84.7	Confident	90 Å²	90	95 Å²	95	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-64.6	-40.2	176.9	-53.5	0	0	0	0	111.4	A174 L175 E176 L181 D182	A174-T178 WeakPolarHBondContact O-CB 3.28Å; A174-T178 PolarHBondContact O-N 3.46Å; A174-T178 PolarHBondContact O-OG1 3.2Å; L175-T178 PolarHBondContact O-N 3.2Å; E176-T178 PolarHBondContact O-N 2.83Å; T178-L181 PolarHBondContact O-N 3.43Å; T178-D182 PolarHBondContact O-N 3.24Å
179	K	87.2	Confident	85.8	Confident	149 Å²	149	100.9 Å²	100.9	65%	0.648	52%	0.521	S	S	*	.	H	α-helix	trans	-67.2	-40.3	177.8	-135.2	-179.6	-176.4	-178	0	111.7	L175 E176 S177 D182 L183	L175-K179 WeakPolarHBondContact O-CB 3.44Å; L175-K179 PolarHBondContact O-N 3.26Å; E176-K179 PolarHBondContact O-N 3.48Å; S177-K179 VanDerWaalsContact C-N 3.34Å; S177-K179 PolarHBondContact O-N 3.15Å; K179-D182 PolarHBondContact O-N 2.95Å; K179-L183 WeakPolarHBondContact O-CB 3.37Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 2.97Å
180	N	87.9	Confident	86.8	Confident	88 Å²	88	101.9 Å²	101.9	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-41	176.3	-70.8	-13.3	0	0	0	111.2	E176 S177 D182 L183 E184	E176-N180 WeakPolarHBondContact O-CB 3.42Å; E176-N180 PolarHBondContact O-N 3.49Å; E176-N180 PolarHBondContact O-ND2 3.24Å; S177-N180 PolarHBondContact O-N 2.97Å; N180-D182 PolarHBondContact O-N 3.48Å; N180-L183 PolarHBondContact O-N 3.44Å; N180-E184 WeakPolarHBondContact O-CB 3.08Å; N180-E184 PolarHBondContact O-N 3.23Å
181	L	89.9	Confident	87.7	Confident	88 Å²	88	100.2 Å²	100.2	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-37.9	174.2	-173	71.3	0	0	0	112.5	S177 T178 K185	S177-L181 PolarHBondContact O-N 2.9Å; T178-L181 PolarHBondContact O-N 3.43Å; L181-K185 WeakPolarHBondContact O-CG 3.44Å; L181-K185 PolarHBondContact O-N 3.12Å; L181-K185 VanDerWaalsContact O-N 3.08Å
182	D	89.8	Confident	88.5	Confident	71 Å²	71	98.1 Å²	98.1	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-68.6	-36.7	175	-173.8	56.5	0	0	0	112	T178 K179 N180 K186	T178-D182 PolarHBondContact O-N 3.24Å; K179-D182 PolarHBondContact O-N 2.95Å; N180-D182 PolarHBondContact O-N 3.48Å; D182-K186 WeakPolarHBondContact O-CB 3.36Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.49Å; D182-K186 PolarHBondContact O-N 2.93Å; D182-K186 VanDerWaalsContact OD2-CE 3.25Å; D182-K186 WeakPolarHBondContact OD2-CE 3.34Å; D182-K186 IonicContact OD2-NZ 2.67Å; D182-K186 PolarHBondContact OD2-NZ 2.97Å
183	L	90.1	Very high	89.3	Confident	86 Å²	86	98.9 Å²	98.9	45%	0.45	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-47.7	172.4	-76.4	170.2	0	0	0	111.4	K179 N180 K185 K186 E187	K179-L183 WeakPolarHBondContact O-CB 3.37Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 2.97Å; N180-L183 PolarHBondContact O-N 3.44Å; L183-K185 VanDerWaalsContact C-N 3.32Å; L183-K185 PolarHBondContact O-N 3.15Å; L183-K186 CarbonylContact O-C 3.55Å; L183-K186 WeakPolarHBondContact O-CA 3.48Å; L183-K186 WeakPolarHBondContact O-CB 3.47Å; L183-K186 PolarHBondContact O-N 3.17Å; L183-E187 WeakPolarHBondContact O-CG 3.44Å; L183-E187 PolarHBondContact O-N 3.32Å
184	E	90.2	Very high	90	Very high	130 Å²	130	101.1 Å²	101.1	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-39.6	178.9	-168.8	176.6	-165.6	0	0	111.8	N180 E187 G188	N180-E184 WeakPolarHBondContact O-CB 3.08Å; N180-E184 PolarHBondContact O-N 3.23Å; E184-E187 PolarHBondContact O-N 2.84Å; E184-G188 PolarHBondContact O-N 3.44Å
185	K	91.5	Very high	90.7	Very high	140 Å²	140	105.8 Å²	105.8	61%	0.609	52%	0.523	S	S	*	.	H	α-helix	trans	-64.2	-39.2	172.3	-75	174.7	-178	177.2	0	112.7	L181 L183 R189	L181-K185 WeakPolarHBondContact O-CG 3.44Å; L181-K185 PolarHBondContact O-N 3.12Å; L181-K185 VanDerWaalsContact O-N 3.08Å; L183-K185 VanDerWaalsContact C-N 3.32Å; L183-K185 PolarHBondContact O-N 3.15Å; K185-R189 WeakPolarHBondContact O-CB 3.39Å; K185-R189 PolarHBondContact O-N 3.42Å
186	K	91.3	Very high	91.4	Very high	111 Å²	111	104.2 Å²	104.2	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-68.9	-41	176.9	-77.6	169.3	176.4	164.3	0	111.4	D182 L183 R189 I190	D182-K186 WeakPolarHBondContact O-CB 3.36Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.49Å; D182-K186 PolarHBondContact O-N 2.93Å; D182-K186 VanDerWaalsContact OD2-CE 3.25Å; D182-K186 WeakPolarHBondContact OD2-CE 3.34Å; D182-K186 IonicContact OD2-NZ 2.67Å; D182-K186 PolarHBondContact OD2-NZ 2.97Å; L183-K186 CarbonylContact O-C 3.55Å; L183-K186 WeakPolarHBondContact O-CA 3.48Å; L183-K186 WeakPolarHBondContact O-CB 3.47Å; L183-K186 PolarHBondContact O-N 3.17Å; K186-R189 PolarHBondContact O-N 3.07Å; K186-I190 VanDerWaalsContact O-CG1 3.26Å; K186-I190 WeakPolarHBondContact O-CG1 3.5Å; K186-I190 PolarHBondContact O-N 3.49Å
187	E	92.4	Very high	91.9	Very high	115 Å²	115	102.1 Å²	102.1	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-48.1	174.2	-73.9	175	170.2	0	0	110.9	L183 E184 R189 I190 D191	L183-E187 WeakPolarHBondContact O-CG 3.44Å; L183-E187 PolarHBondContact O-N 3.32Å; E184-E187 PolarHBondContact O-N 2.84Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.91Å; E187-I190 WeakPolarHBondContact O-CA 3.36Å; E187-I190 WeakPolarHBondContact O-CB 3.4Å; E187-I190 PolarHBondContact O-N 3.44Å; E187-D191 PolarHBondContact O-N 3Å
188	G	92.9	Very high	92.3	Very high	32 Å²	32	102.3 Å²	102.3	33%	0.33	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-39.5	174.6	0	0	0	0	0	113.1	E184 D191 D192	E184-G188 PolarHBondContact O-N 3.44Å; G188-D191 PolarHBondContact O-N 3.06Å; G188-D192 PolarHBondContact O-N 2.95Å
189	R	93.4	Very high	92.7	Very high	181 Å²	181	101.5 Å²	101.5	68%	0.683	50%	0.503	S	S	*	.	H	α-helix	trans	-67.8	-35.6	174.6	-172.8	173.2	-178.6	171.9	0.8	112.6	K185 K186 E187 L193	K185-R189 WeakPolarHBondContact O-CB 3.39Å; K185-R189 PolarHBondContact O-N 3.42Å; K186-R189 PolarHBondContact O-N 3.07Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.91Å; R189-L193 HydrophobicContact CG-CD1 4.29Å; R189-L193 WeakPolarHBondContact O-CB 3.49Å; R189-L193 VanDerWaalsContact O-CG 3.26Å; R189-L193 WeakPolarHBondContact O-CG 3.19Å; R189-L193 PolarHBondContact O-N 3.23Å
190	I	93.4	Very high	93.1	Very high	94 Å²	94	98.6 Å²	98.6	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-45.3	174	-71.6	163.1	0	0	0	109.5	K186 E187 D192 L193 L194	K186-I190 VanDerWaalsContact O-CG1 3.26Å; K186-I190 WeakPolarHBondContact O-CG1 3.5Å; K186-I190 PolarHBondContact O-N 3.49Å; E187-I190 WeakPolarHBondContact O-CA 3.36Å; E187-I190 WeakPolarHBondContact O-CB 3.4Å; E187-I190 PolarHBondContact O-N 3.44Å; I190-D192 PolarHBondContact O-N 3.17Å; I190-L193 PolarHBondContact O-N 3.43Å; I190-L194 HydrophobicContact CG2-CD1 3.9Å; I190-L194 HydrophobicContact CG2-CG 4.28Å; I190-L194 WeakPolarHBondContact O-CB 3.49Å; I190-L194 VanDerWaalsContact O-CG 3.27Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.28Å
191	D	93.8	Very high	93.5	Very high	88 Å²	88	102.1 Å²	102.1	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-41.8	178.4	-73.2	-17.9	0	0	0	112.6	E187 G188 L194 R195	E187-D191 PolarHBondContact O-N 3Å; G188-D191 PolarHBondContact O-N 3.06Å; D191-L194 PolarHBondContact O-N 3.49Å; D191-R195 WeakPolarHBondContact O-CG 3.34Å; D191-R195 PolarHBondContact O-N 2.9Å
192	D	94.3	Very high	93.8	Very high	85 Å²	85	104.7 Å²	104.7	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-45	173.9	-74.6	-21.3	0	0	0	111.9	G188 I190 L194 R195 V196	G188-D192 PolarHBondContact O-N 2.95Å; I190-D192 PolarHBondContact O-N 3.17Å; D192-L194 VanDerWaalsContact C-N 3.33Å; D192-L194 PolarHBondContact O-N 2.79Å; D192-R195 PolarHBondContact O-N 3.47Å; D192-R195 IonicContact OD1-CZ 3.62Å; D192-R195 IonicContact OD1-NE 2.75Å; D192-R195 IonicContact OD1-NH2 3.25Å; D192-R195 PolarHBondContact OD1-NH2 2.99Å; D192-V196 WeakPolarHBondContact O-CG2 3.48Å; D192-V196 PolarHBondContact O-N 2.98Å
193	L	94.1	Very high	94.2	Very high	107 Å²	107	106.4 Å²	106.4	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-37.2	176.3	-73.7	172.1	0	0	0	112.1	R189 I190 V196 N197	R189-L193 HydrophobicContact CG-CD1 4.29Å; R189-L193 WeakPolarHBondContact O-CB 3.49Å; R189-L193 VanDerWaalsContact O-CG 3.26Å; R189-L193 WeakPolarHBondContact O-CG 3.19Å; R189-L193 PolarHBondContact O-N 3.23Å; I190-L193 PolarHBondContact O-N 3.43Å; L193-V196 PolarHBondContact O-N 3.19Å; L193-N197 WeakPolarHBondContact O-CB 3.36Å; L193-N197 PolarHBondContact O-N 3Å
194	L	95.3	Very high	94.5	Very high	99 Å²	99	106.8 Å²	106.8	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-43.1	175	-74.2	172.6	0	0	0	111.3	I190 D191 D192 N197 C198	I190-L194 HydrophobicContact CG2-CD1 3.9Å; I190-L194 HydrophobicContact CG2-CG 4.28Å; I190-L194 WeakPolarHBondContact O-CB 3.49Å; I190-L194 VanDerWaalsContact O-CG 3.27Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.28Å; D191-L194 PolarHBondContact O-N 3.49Å; D192-L194 VanDerWaalsContact C-N 3.33Å; D192-L194 PolarHBondContact O-N 2.79Å; L194-N197 PolarHBondContact O-N 3.02Å; L194-C198 PolarHBondContact O-N 3.34Å; L194-C198 PolarHBondContact O-SG 2.86Å; L194-C198 VanDerWaalsContact O-SG 3.38Å
195	R	95.8	Very high	94.8	Very high	154 Å²	154	104.6 Å²	104.6	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-59	-50.1	173.8	-78.2	-171.1	-82.1	-120.1	1.3	111.8	D191 D192 N197 C198 D199	D191-R195 WeakPolarHBondContact O-CG 3.34Å; D191-R195 PolarHBondContact O-N 2.9Å; D192-R195 PolarHBondContact O-N 3.47Å; D192-R195 IonicContact OD1-CZ 3.62Å; D192-R195 IonicContact OD1-NE 2.75Å; D192-R195 IonicContact OD1-NH2 3.25Å; D192-R195 PolarHBondContact OD1-NH2 2.99Å; R195-N197 VanDerWaalsContact C-N 3.3Å; R195-N197 PolarHBondContact O-N 3.3Å; R195-C198 WeakPolarHBondContact O-CB 3.44Å; R195-C198 PolarHBondContact O-N 2.89Å; R195-D199 PolarHBondContact O-N 3.41Å
196	V	96	Very high	95	Very high	80 Å²	80	102.9 Å²	102.9	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-39.3	177.5	173.3	0	0	0	0	111.4	D192 L193 C198 D199 L200	D192-V196 WeakPolarHBondContact O-CG2 3.48Å; D192-V196 PolarHBondContact O-N 2.98Å; L193-V196 PolarHBondContact O-N 3.19Å; V196-C198 PolarHBondContact O-N 2.94Å; V196-D199 PolarHBondContact O-N 3.29Å; V196-L200 HydrophobicContact CG1-CD1 4.02Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.58Å
197	N	95.5	Very high	95.2	Very high	77 Å²	77	103.8 Å²	103.8	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-41.3	176.4	-158.1	-82.8	0	0	0	111.8	L193 L194 R195 L200 R201	L193-N197 WeakPolarHBondContact O-CB 3.36Å; L193-N197 PolarHBondContact O-N 3Å; L194-N197 PolarHBondContact O-N 3.02Å; R195-N197 VanDerWaalsContact C-N 3.3Å; R195-N197 PolarHBondContact O-N 3.3Å; N197-L200 PolarHBondContact O-N 2.92Å; N197-R201 WeakPolarHBondContact O-CB 3.4Å; N197-R201 VanDerWaalsContact O-CG 3.26Å; N197-R201 WeakPolarHBondContact O-CG 3.35Å; N197-R201 PolarHBondContact O-N 3.5Å; N197-R201 PolarHBondContact OD1-NE 2.96Å
198	C	96.4	Very high	95.4	Very high	83 Å²	83	103.8 Å²	103.8	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-43.8	174.1	-74.3	0	0	0	0	112	L194 R195 V196 R201 R202	L194-C198 PolarHBondContact O-N 3.34Å; L194-C198 PolarHBondContact O-SG 2.86Å; L194-C198 VanDerWaalsContact O-SG 3.38Å; R195-C198 WeakPolarHBondContact O-CB 3.44Å; R195-C198 PolarHBondContact O-N 2.89Å; V196-C198 PolarHBondContact O-N 2.94Å; C198-R201 PolarHBondContact O-N 3.45Å; C198-R202 PolarHBondContact O-N 3.47Å
199	D	95.6	Very high	95.6	Very high	73 Å²	73	109.1 Å²	109.1	39%	0.39	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-43	176.9	-82.6	-39.5	0	0	0	112.6	R195 V196 R201 R202 Q203	R195-D199 PolarHBondContact O-N 3.41Å; V196-D199 PolarHBondContact O-N 3.29Å; D199-R201 VanDerWaalsContact C-N 3.34Å; D199-R201 PolarHBondContact O-N 3.41Å; D199-R202 PolarHBondContact O-N 3.45Å; D199-R202 IonicContact OD1-CZ 3.53Å; D199-R202 IonicContact OD1-NE 3.57Å; D199-R202 IonicContact OD1-NH2 2.72Å; D199-R202 PolarHBondContact OD1-NH2 3.36Å; D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 2.97Å
200	L	95.9	Very high	95.7	Very high	89 Å²	89	104 Å²	104	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-39.5	174.9	-72.9	173.6	0	0	0	112	V196 N197 Q203 I204	V196-L200 HydrophobicContact CG1-CD1 4.02Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.58Å; N197-L200 PolarHBondContact O-N 2.92Å; L200-Q203 PolarHBondContact O-N 2.83Å; L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3.32Å
201	R	96.2	Very high	95.8	Very high	161 Å²	161	104.1 Å²	104.1	61%	0.608	51%	0.506	S	S	*	.	H	α-helix	trans	-60.7	-45.8	173.7	-76.6	171.6	-179.5	-91.7	1.1	111.4	N197 C198 D199 Q203 I204 D205	N197-R201 WeakPolarHBondContact O-CB 3.4Å; N197-R201 VanDerWaalsContact O-CG 3.26Å; N197-R201 WeakPolarHBondContact O-CG 3.35Å; N197-R201 PolarHBondContact O-N 3.5Å; N197-R201 PolarHBondContact OD1-NE 2.96Å; C198-R201 PolarHBondContact O-N 3.45Å; D199-R201 VanDerWaalsContact C-N 3.34Å; D199-R201 PolarHBondContact O-N 3.41Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.32Å; R201-I204 PolarHBondContact O-N 3.49Å; R201-D205 PolarHBondContact O-N 3.11Å
202	R	96.4	Very high	96	Very high	142 Å²	142	104.4 Å²	104.4	54%	0.536	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-42.3	175.7	-179.5	174.3	59.2	141.2	-5.9	111.8	C198 D199 D205 E206	C198-R202 PolarHBondContact O-N 3.47Å; D199-R202 PolarHBondContact O-N 3.45Å; D199-R202 IonicContact OD1-CZ 3.53Å; D199-R202 IonicContact OD1-NE 3.57Å; D199-R202 IonicContact OD1-NH2 2.72Å; D199-R202 PolarHBondContact OD1-NH2 3.36Å; R202-D205 PolarHBondContact O-N 2.59Å; R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 2.9Å
203	Q	96.6	Very high	96	Very high	108 Å²	108	106.4 Å²	106.4	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176	-72.6	178.6	9	0	0	112.3	D199 L200 R201 D205 E206 Q207	D199-Q203 WeakPolarHBondContact O-CG 3.39Å; D199-Q203 PolarHBondContact O-N 2.97Å; L200-Q203 PolarHBondContact O-N 2.83Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.32Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; Q203-D205 PolarHBondContact O-N 3.4Å; Q203-E206 PolarHBondContact O-N 3.49Å; Q203-Q207 VanDerWaalsContact O-CG 3.3Å; Q203-Q207 WeakPolarHBondContact O-CG 3.39Å; Q203-Q207 PolarHBondContact O-N 2.95Å
204	I	96.8	Very high	96.1	Very high	94 Å²	94	107.7 Å²	107.7	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.4	-70.7	167.8	0	0	0	110.3	L200 R201 E206 Q207 Q208	L200-I204 WeakPolarHBondContact O-CG1 3.38Å; L200-I204 PolarHBondContact O-N 3.32Å; R201-I204 PolarHBondContact O-N 3.49Å; I204-E206 VanDerWaalsContact C-N 3.32Å; I204-E206 PolarHBondContact O-N 3.01Å; I204-Q207 PolarHBondContact O-N 3.24Å; I204-Q208 HydrophobicContact CG2-CG 4.37Å; I204-Q208 WeakPolarHBondContact O-CB 3.35Å; I204-Q208 VanDerWaalsContact O-CG 3.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.23Å; I204-Q208 PolarHBondContact O-N 2.81Å
205	D	96.6	Very high	96	Very high	84 Å²	84	107.4 Å²	107.4	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-38.7	178.3	-70	-13.9	0	0	0	112	R201 R202 Q203 Q208 K209	R201-D205 PolarHBondContact O-N 3.11Å; R202-D205 PolarHBondContact O-N 2.59Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; Q203-D205 PolarHBondContact O-N 3.4Å; D205-Q208 PolarHBondContact O-N 3.31Å; D205-K209 WeakPolarHBondContact O-CG 3.42Å; D205-K209 PolarHBondContact O-N 2.95Å
206	E	96.4	Very high	96	Very high	104 Å²	104	105.1 Å²	105.1	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-44.9	174.7	-76.2	173.7	-171.9	0	0	112	R202 Q203 I204 Q208 K209 L210	R202-E206 WeakPolarHBondContact O-CG 3.48Å; R202-E206 PolarHBondContact O-N 2.9Å; Q203-E206 PolarHBondContact O-N 3.49Å; I204-E206 VanDerWaalsContact C-N 3.32Å; I204-E206 PolarHBondContact O-N 3.01Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 2.87Å; E206-K209 PolarHBondContact O-N 3.39Å; E206-L210 WeakPolarHBondContact O-CB 3.36Å; E206-L210 PolarHBondContact O-N 3.33Å
207	Q	96.1	Very high	95.9	Very high	129 Å²	129	109.4 Å²	109.4	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-39.8	175.7	-70.2	-64.4	-27.8	0	0	111.7	Q203 I204 L210 L211	Q203-Q207 VanDerWaalsContact O-CG 3.3Å; Q203-Q207 WeakPolarHBondContact O-CG 3.39Å; Q203-Q207 PolarHBondContact O-N 2.95Å; I204-Q207 PolarHBondContact O-N 3.24Å; Q207-L210 PolarHBondContact O-N 3.38Å; Q207-L211 WeakPolarHBondContact O-CB 3.26Å; Q207-L211 PolarHBondContact O-N 2.89Å
208	Q	96.5	Very high	95.7	Very high	116 Å²	116	110.3 Å²	110.3	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-44.6	175.2	-75.2	177.6	2	0	0	112	I204 D205 E206 L210 L211 E212	I204-Q208 HydrophobicContact CG2-CG 4.37Å; I204-Q208 WeakPolarHBondContact O-CB 3.35Å; I204-Q208 VanDerWaalsContact O-CG 3.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.23Å; I204-Q208 PolarHBondContact O-N 2.81Å; D205-Q208 PolarHBondContact O-N 3.31Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 2.87Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.47Å; Q208-L211 PolarHBondContact O-N 3.31Å; Q208-E212 PolarHBondContact O-N 3.44Å
209	K	96.6	Very high	95.5	Very high	143 Å²	143	111 Å²	111	62%	0.622	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-38.9	175.2	-75.6	171.5	-176.6	171	0	112	D205 E206 K213	D205-K209 WeakPolarHBondContact O-CG 3.42Å; D205-K209 PolarHBondContact O-N 2.95Å; E206-K209 PolarHBondContact O-N 3.39Å; K209-K213 WeakPolarHBondContact O-CG 3.35Å; K209-K213 PolarHBondContact O-N 2.98Å
210	L	96.1	Very high	95.5	Very high	75 Å²	75	114.5 Å²	114.5	39%	0.393	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-44.2	177.6	-175.6	62.7	0	0	0	111.3	E206 Q207 Q208 E212 K213 Y214	E206-L210 WeakPolarHBondContact O-CB 3.36Å; E206-L210 PolarHBondContact O-N 3.33Å; Q207-L210 PolarHBondContact O-N 3.38Å; Q208-L210 VanDerWaalsContact C-N 3.29Å; Q208-L210 PolarHBondContact O-N 3.47Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3.25Å; L210-K213 WeakPolarHBondContact O-CB 3.35Å; L210-K213 PolarHBondContact O-N 3Å; L210-Y214 HydrophobicContact CD1-CD2 4.21Å; L210-Y214 HydrophobicContact CD1-CE2 3.67Å; L210-Y214 HydrophobicContact CD2-CE2 3.96Å; L210-Y214 HydrophobicContact CG-CD2 3.91Å; L210-Y214 HydrophobicContact CG-CE2 3.5Å; L210-Y214 WeakPolarHBondContact O-CD2 3.49Å; L210-Y214 PolarHBondContact O-N 2.95Å
211	L	95.8	Very high	95.3	Very high	96 Å²	96	113.4 Å²	113.4	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-58.1	-42.1	174.9	-179.3	63	0	0	0	111.7	Q207 Q208 Y214 K215	Q207-L211 WeakPolarHBondContact O-CB 3.26Å; Q207-L211 PolarHBondContact O-N 2.89Å; Q208-L211 PolarHBondContact O-N 3.31Å; L211-Y214 PolarHBondContact O-N 3.3Å; L211-K215 WeakPolarHBondContact O-CG 3.46Å; L211-K215 PolarHBondContact O-N 2.84Å
212	E	96.5	Very high	95.2	Very high	94 Å²	94	107.5 Å²	107.5	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-42	178.4	-158.6	57.3	-143.5	0	0	111.9	Q208 L210 Y214 K215 E216	Q208-E212 PolarHBondContact O-N 3.44Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3.25Å; E212-Y214 VanDerWaalsContact C-N 3.31Å; E212-Y214 PolarHBondContact O-N 2.94Å; E212-K215 WeakPolarHBondContact O-CB 3.38Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE2-NZ 2.84Å; E212-E216 WeakPolarHBondContact O-CG 3.49Å; E212-E216 PolarHBondContact O-N 3.11Å
213	K	95.8	Very high	95.1	Very high	127 Å²	127	105.2 Å²	105.2	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-60.4	-38.9	172.7	-72.1	176.2	-179.2	178.6	0	112.6	K209 L210 R217	K209-K213 WeakPolarHBondContact O-CG 3.35Å; K209-K213 PolarHBondContact O-N 2.98Å; L210-K213 WeakPolarHBondContact O-CB 3.35Å; L210-K213 PolarHBondContact O-N 3Å; K213-R217 WeakPolarHBondContact O-CG 3.47Å; K213-R217 PolarHBondContact O-N 3.41Å; K213-R217 VanDerWaalsContact O-N 3.11Å
214	Y	94.4	Very high	95	Very high	134 Å²	134	106 Å²	106	53%	0.525	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-41.8	175.6	-77.8	-62.6	0	0	0	111.9	L210 L211 E212 R217 L218	L210-Y214 HydrophobicContact CD1-CD2 4.21Å; L210-Y214 HydrophobicContact CD1-CE2 3.67Å; L210-Y214 HydrophobicContact CD2-CE2 3.96Å; L210-Y214 HydrophobicContact CG-CD2 3.91Å; L210-Y214 HydrophobicContact CG-CE2 3.5Å; L210-Y214 WeakPolarHBondContact O-CD2 3.49Å; L210-Y214 PolarHBondContact O-N 2.95Å; L211-Y214 PolarHBondContact O-N 3.3Å; E212-Y214 VanDerWaalsContact C-N 3.31Å; E212-Y214 PolarHBondContact O-N 2.94Å; Y214-R217 PolarHBondContact O-N 3.4Å; Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 2.79Å
215	K	93.9	Very high	94.9	Very high	93 Å²	93	103.4 Å²	103.4	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-44.6	174.3	-71.3	175.8	-176.7	170.5	0	112.1	L211 E212 R217 L218 N219	L211-K215 WeakPolarHBondContact O-CG 3.46Å; L211-K215 PolarHBondContact O-N 2.84Å; E212-K215 WeakPolarHBondContact O-CB 3.38Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE2-NZ 2.84Å; K215-R217 PolarHBondContact O-N 2.77Å; K215-L218 PolarHBondContact O-N 2.78Å; K215-N219 WeakPolarHBondContact O-CB 3.39Å; K215-N219 VanDerWaalsContact O-CG 3.3Å; K215-N219 PolarHBondContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.48Å
216	E	95.5	Very high	94.8	Very high	105 Å²	105	102.3 Å²	102.3	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176	-74.9	-179.8	-175.6	0	0	112.3	E212 N219 K220	E212-E216 WeakPolarHBondContact O-CG 3.49Å; E212-E216 PolarHBondContact O-N 3.11Å; E216-N219 PolarHBondContact O-N 2.94Å; E216-K220 WeakPolarHBondContact O-CG 3.5Å; E216-K220 PolarHBondContact O-N 3.04Å
217	R	94.4	Very high	94.8	Very high	171 Å²	171	104.5 Å²	104.5	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-44	176.6	-74.4	176.9	178.9	-176	-0.8	111.5	K213 Y214 K215 K220 C221	K213-R217 WeakPolarHBondContact O-CG 3.47Å; K213-R217 PolarHBondContact O-N 3.41Å; K213-R217 VanDerWaalsContact O-N 3.11Å; Y214-R217 PolarHBondContact O-N 3.4Å; K215-R217 PolarHBondContact O-N 2.77Å; R217-K220 PolarHBondContact O-N 2.77Å; R217-C221 PolarHBondContact O-N 3.46Å
218	L	91.3	Very high	94.9	Very high	96 Å²	96	102.8 Å²	102.8	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-44.9	177.1	-177.5	62.1	0	0	0	111.2	Y214 K215 K220 C221 I222	Y214-L218 WeakPolarHBondContact O-CB 3.47Å; Y214-L218 PolarHBondContact O-N 2.79Å; K215-L218 PolarHBondContact O-N 2.78Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.33Å; L218-C221 WeakPolarHBondContact O-CB 3.28Å; L218-C221 PolarHBondContact O-N 2.88Å; L218-C221 VanDerWaalsContact O-N 3.11Å; L218-I222 HydrophobicContact CD1-CD1 4.29Å; L218-I222 HydrophobicContact CD1-CG1 4.42Å; L218-I222 HydrophobicContact CG-CD1 3.95Å; L218-I222 HydrophobicContact CG-CG1 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.24Å; L218-I222 PolarHBondContact O-N 3.42Å
219	N	92.4	Very high	94.9	Very high	97 Å²	97	98.3 Å²	98.3	52%	0.519	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-40.8	176.9	-76.8	-20.8	0	0	0	112.4	K215 E216 I222 T223	K215-N219 WeakPolarHBondContact O-CB 3.39Å; K215-N219 VanDerWaalsContact O-CG 3.3Å; K215-N219 PolarHBondContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.48Å; E216-N219 PolarHBondContact O-N 2.94Å; N219-I222 PolarHBondContact O-N 3.27Å; N219-T223 WeakPolarHBondContact O-CB 3.34Å; N219-T223 PolarHBondContact O-N 3.2Å; N219-T223 PolarHBondContact O-OG1 3.29Å
220	K	94.8	Very high	94.9	Very high	147 Å²	147	94.3 Å²	94.3	64%	0.639	45%	0.454	S	S	*	.	H	α-helix	trans	-62	-44.3	173.1	-73	173.8	-178.5	174.2	0	111.7	E216 R217 L218 T223 M224	E216-K220 WeakPolarHBondContact O-CG 3.5Å; E216-K220 PolarHBondContact O-N 3.04Å; R217-K220 PolarHBondContact O-N 2.77Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-K220 PolarHBondContact O-N 3.33Å; K220-T223 PolarHBondContact O-N 3.04Å; K220-M224 PolarHBondContact O-N 3.2Å
221	C	93.1	Very high	94.9	Very high	66 Å²	66	95.3 Å²	95.3	45%	0.446	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-44.2	178.1	-168.6	0	0	0	0	112.3	R217 L218 T223 M224 S225	R217-C221 PolarHBondContact O-N 3.46Å; L218-C221 WeakPolarHBondContact O-CB 3.28Å; L218-C221 PolarHBondContact O-N 2.88Å; L218-C221 VanDerWaalsContact O-N 3.11Å; C221-T223 VanDerWaalsContact C-N 3.34Å; C221-T223 PolarHBondContact O-N 3.16Å; C221-M224 PolarHBondContact O-N 2.86Å; C221-S225 WeakPolarHBondContact O-CB 3.46Å; C221-S225 PolarHBondContact O-N 2.63Å; C221-S225 PolarHBondContact O-OG 3.42Å
222	I	92.8	Very high	95	Very high	36 Å²	36	94.4 Å²	94.4	19%	0.185	45%	0.449	C	S	.	.	H	α-helix	trans	-60.5	-45.2	175	-70.2	170.7	0	0	0	110.2	L218 N219 M224 S225 K226 L427	L218-I222 HydrophobicContact CD1-CD1 4.29Å; L218-I222 HydrophobicContact CD1-CG1 4.42Å; L218-I222 HydrophobicContact CG-CD1 3.95Å; L218-I222 HydrophobicContact CG-CG1 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.24Å; L218-I222 PolarHBondContact O-N 3.42Å; N219-I222 PolarHBondContact O-N 3.27Å; I222-M224 PolarHBondContact O-N 2.93Å; I222-S225 PolarHBondContact O-N 2.94Å; I222-K226 HydrophobicContact CG2-CD 4.32Å; I222-K226 HydrophobicContact CG2-CG 4.45Å; I222-K226 WeakPolarHBondContact O-CG 3.48Å; I222-K226 PolarHBondContact O-N 2.83Å; I222-L427 HydrophobicContact CG2-CB 4.49Å; I222-L427 HydrophobicContact CG2-CD2 4.35Å
223	T	94.4	Very high	94.9	Very high	94 Å²	94	90.1 Å²	90.1	58%	0.577	43%	0.429	S	S	*	.	H	α-helix	trans	-61.9	-44.2	179.4	-57.7	0	0	0	0	111.9	N219 K220 C221 K226 K227	N219-T223 WeakPolarHBondContact O-CB 3.34Å; N219-T223 PolarHBondContact O-N 3.2Å; N219-T223 PolarHBondContact O-OG1 3.29Å; K220-T223 PolarHBondContact O-N 3.04Å; C221-T223 VanDerWaalsContact C-N 3.34Å; C221-T223 PolarHBondContact O-N 3.16Å; T223-K226 PolarHBondContact O-N 2.82Å; T223-K227 PolarHBondContact O-N 3.5Å; T223-K227 VanDerWaalsContact O-N 3.13Å
224	M	94.8	Very high	94.9	Very high	126 Å²	126	87.4 Å²	87.4	62%	0.621	42%	0.423	S	S	*	.	H	α-helix	trans	-65.2	-43.9	176.1	-175.3	168.1	174.9	0	0	111.9	K220 C221 I222 K226 K227 L228	K220-M224 PolarHBondContact O-N 3.2Å; C221-M224 PolarHBondContact O-N 2.86Å; I222-M224 PolarHBondContact O-N 2.93Å; M224-K226 PolarHBondContact O-N 3.22Å; M224-K227 PolarHBondContact O-N 3.07Å; M224-L228 HydrophobicContact CE-CD1 4.23Å; M224-L228 HydrophobicContact CG-CD1 4.18Å; M224-L228 WeakPolarHBondContact O-CG 3.39Å; M224-L228 PolarHBondContact O-N 3.42Å
225	S	94.1	Very high	95	Very high	38 Å²	38	86.6 Å²	86.6	27%	0.266	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-44.3	177	-59	0	0	0	0	111.6	C221 I222 K227 L228 L229	C221-S225 WeakPolarHBondContact O-CB 3.46Å; C221-S225 PolarHBondContact O-N 2.63Å; C221-S225 PolarHBondContact O-OG 3.42Å; I222-S225 PolarHBondContact O-N 2.94Å; S225-K227 PolarHBondContact O-N 2.91Å; S225-L228 PolarHBondContact O-N 3.11Å; S225-L229 WeakPolarHBondContact O-CB 3.39Å; S225-L229 WeakPolarHBondContact O-CD1 3.45Å; S225-L229 WeakPolarHBondContact O-CG 3.39Å; S225-L229 PolarHBondContact O-N 2.93Å
226	K	95.6	Very high	95	Very high	61 Å²	61	86.1 Å²	86.1	27%	0.265	42%	0.423	S	S	.	.	H	α-helix	trans	-54.9	-50.3	173.4	-76	179.2	175.3	-174.6	0	111.4	I222 T223 M224 L228 L229 I230 L408 L427	I222-K226 HydrophobicContact CG2-CD 4.32Å; I222-K226 HydrophobicContact CG2-CG 4.45Å; I222-K226 WeakPolarHBondContact O-CG 3.48Å; I222-K226 PolarHBondContact O-N 2.83Å; T223-K226 PolarHBondContact O-N 2.82Å; M224-K226 PolarHBondContact O-N 3.22Å; K226-L228 PolarHBondContact O-N 3.01Å; K226-L229 PolarHBondContact O-N 3.33Å; K226-I230 VanDerWaalsContact O-CG1 3.28Å; K226-I230 WeakPolarHBondContact O-CG1 3.46Å; K226-I230 PolarHBondContact O-N 3.11Å; K226-L408 HydrophobicContact CB-CD2 4.31Å; K226-L408 HydrophobicContact CG-CD2 4.24Å; K226-L427 HydrophobicContact CD-CD1 4.28Å; K226-L427 HydrophobicContact CD-CD2 4.5Å; K226-L427 HydrophobicContact CG-CD1 4.22Å; K226-L427 HydrophobicContact CG-CD2 3.63Å
227	K	96.3	Very high	94.8	Very high	151 Å²	151	82 Å²	82	66%	0.657	40%	0.404	S	S	*	.	H	α-helix	trans	-58.6	-48.7	-179.1	-174.5	-177.3	176.1	-174.4	0	111.6	T223 M224 S225 L229 I230 E231	T223-K227 PolarHBondContact O-N 3.5Å; T223-K227 VanDerWaalsContact O-N 3.13Å; M224-K227 PolarHBondContact O-N 3.07Å; S225-K227 PolarHBondContact O-N 2.91Å; K227-L229 PolarHBondContact O-N 3.04Å; K227-I230 PolarHBondContact O-N 2.65Å; K227-E231 WeakPolarHBondContact O-CB 3.22Å; K227-E231 PolarHBondContact O-N 3.33Å
228	L	96.9	Very high	94.8	Very high	92 Å²	92	78.5 Å²	78.5	48%	0.482	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-38.9	-179.9	-67.8	173.5	0	0	0	112.3	M224 S225 K226 E231 K232	M224-L228 HydrophobicContact CE-CD1 4.23Å; M224-L228 HydrophobicContact CG-CD1 4.18Å; M224-L228 WeakPolarHBondContact O-CG 3.39Å; M224-L228 PolarHBondContact O-N 3.42Å; S225-L228 PolarHBondContact O-N 3.11Å; K226-L228 PolarHBondContact O-N 3.01Å; L228-E231 PolarHBondContact O-N 3.42Å; L228-K232 WeakPolarHBondContact O-CB 3.28Å; L228-K232 PolarHBondContact O-N 3.29Å
229	L	97	Very high	94.9	Very high	23 Å²	23	76.5 Å²	76.5	12%	0.12	39%	0.392	C	S	.	.	H	α-helix	trans	-66.1	-41	176.9	-74.4	166.7	0	0	0	112.2	S225 K226 K227 S233 L408 L410 F425 Y432	S225-L229 WeakPolarHBondContact O-CB 3.39Å; S225-L229 WeakPolarHBondContact O-CD1 3.45Å; S225-L229 WeakPolarHBondContact O-CG 3.39Å; S225-L229 PolarHBondContact O-N 2.93Å; K226-L229 PolarHBondContact O-N 3.33Å; K227-L229 PolarHBondContact O-N 3.04Å; L229-S233 VanDerWaalsContact O-CB 3.28Å; L229-S233 WeakPolarHBondContact O-CB 3.15Å; L229-S233 PolarHBondContact O-N 2.79Å; L229-L408 HydrophobicContact CB-CD2 3.88Å; L229-L408 HydrophobicContact CD1-CD2 4.11Å; L229-L410 HydrophobicContact CB-CD2 4.16Å; L229-F425 HydrophobicContact CD1-CB 3.89Å; L229-F425 HydrophobicContact CD1-CD1 3.45Å; L229-F425 VanDerWaalsContact CD1-CD1 3.45Å; L229-F425 HydrophobicContact CD1-CD2 4.17Å; L229-F425 HydrophobicContact CD1-CE1 3.95Å; L229-F425 HydrophobicContact CD1-CG 3.56Å; L229-F425 HydrophobicContact CD2-CD2 4.34Å; L229-F425 HydrophobicContact CD2-CG 4.45Å; L229-Y432 HydrophobicContact CD2-CE1 4.47Å
230	I	97.2	Very high	94.9	Very high	59 Å²	59	73.4 Å²	73.4	30%	0.303	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-45	175.4	-68.1	167.8	0	0	0	110.4	K226 K227 S233 T234 H400 L408	K226-I230 VanDerWaalsContact O-CG1 3.28Å; K226-I230 WeakPolarHBondContact O-CG1 3.46Å; K226-I230 PolarHBondContact O-N 3.11Å; K227-I230 PolarHBondContact O-N 2.65Å; I230-S233 PolarHBondContact O-N 3.23Å; I230-T234 WeakPolarHBondContact O-CB 3.43Å; I230-T234 PolarHBondContact O-N 3.49Å; I230-T234 PolarHBondContact O-OG1 3.22Å; I230-H400 HydrophobicContact CD1-CB 4.29Å; I230-H400 HydrophobicContact CG1-CB 3.96Å; I230-L408 HydrophobicContact CD1-CD1 4.2Å; I230-L408 HydrophobicContact CG1-CD1 4.22Å; I230-L408 HydrophobicContact CG1-CD2 4.21Å
231	E	97	Very high	94.7	Very high	95 Å²	95	70.1 Å²	70.1	44%	0.444	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-49.7	177.8	-177.6	173.7	-175.4	0	0	111.2	K227 L228 S233 T234 Q235	K227-E231 WeakPolarHBondContact O-CB 3.22Å; K227-E231 PolarHBondContact O-N 3.33Å; L228-E231 PolarHBondContact O-N 3.42Å; E231-S233 PolarHBondContact O-N 3.38Å; E231-T234 PolarHBondContact O-N 2.93Å; E231-Q235 WeakPolarHBondContact O-CG 3.31Å; E231-Q235 PolarHBondContact O-N 3.41Å
232	K	95.9	Very high	94.8	Very high	78 Å²	78	71.5 Å²	71.5	34%	0.339	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-48.4	175.5	-179.9	178	174.4	179.9	0	111.8	L228 T234 Q235 E236	L228-K232 WeakPolarHBondContact O-CB 3.28Å; L228-K232 PolarHBondContact O-N 3.29Å; K232-T234 VanDerWaalsContact C-N 3.3Å; K232-T234 PolarHBondContact O-N 3.47Å; K232-Q235 PolarHBondContact O-N 2.86Å; K232-E236 WeakPolarHBondContact CE-OE1 3.26Å; K232-E236 WeakPolarHBondContact O-CG 3.22Å; K232-E236 PolarHBondContact O-N 3.27Å
233	S	95.7	Very high	94.8	Very high	3 Å²	3	76.1 Å²	76.1	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-36.7	180	-170.4	0	0	0	0	112.1	L229 I230 E231 E236 K237 H400 L410	L229-S233 VanDerWaalsContact O-CB 3.28Å; L229-S233 WeakPolarHBondContact O-CB 3.15Å; L229-S233 PolarHBondContact O-N 2.79Å; I230-S233 PolarHBondContact O-N 3.23Å; E231-S233 PolarHBondContact O-N 3.38Å; S233-E236 PolarHBondContact O-N 2.98Å; S233-K237 WeakPolarHBondContact O-CB 3.5Å; S233-K237 VanDerWaalsContact O-CG 3.28Å; S233-K237 WeakPolarHBondContact O-CG 3.4Å; S233-K237 PolarHBondContact O-N 3.25Å; S233-H400 PolarHBondContact OG-CE1 3.01Å; S233-H400 VanDerWaalsContact OG-CE1 3.26Å; S233-L410 PolarHBondContact OG-O 3.16Å
234	T	95.6	Very high	94.7	Very high	70 Å²	70	72.1 Å²	72.1	43%	0.429	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-42.4	175.3	-57.5	0	0	0	0	111.3	I230 E231 K232 K237 Q238	I230-T234 WeakPolarHBondContact O-CB 3.43Å; I230-T234 PolarHBondContact O-N 3.49Å; I230-T234 PolarHBondContact O-OG1 3.22Å; E231-T234 PolarHBondContact O-N 2.93Å; K232-T234 VanDerWaalsContact C-N 3.3Å; K232-T234 PolarHBondContact O-N 3.47Å; T234-K237 PolarHBondContact O-N 3.34Å; T234-Q238 WeakPolarHBondContact O-CB 3.37Å; T234-Q238 PolarHBondContact O-N 3.25Å
235	Q	95.7	Very high	94.5	Very high	117 Å²	117	72.9 Å²	72.9	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174.8	-69.8	174.5	11.1	0	0	111.7	E231 K232 K237 Q238 A239	E231-Q235 WeakPolarHBondContact O-CG 3.31Å; E231-Q235 PolarHBondContact O-N 3.41Å; K232-Q235 PolarHBondContact O-N 2.86Å; Q235-K237 PolarHBondContact O-N 2.92Å; Q235-Q238 PolarHBondContact O-N 3.1Å; Q235-A239 WeakPolarHBondContact O-CB 3.41Å; Q235-A239 PolarHBondContact O-N 3.34Å
236	E	93.6	Very high	94.3	Very high	84 Å²	84	77.9 Å²	77.9	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.9	-72.9	172.9	175.1	0	0	111.7	K232 S233 Q238 A239 C240	K232-E236 WeakPolarHBondContact CE-OE1 3.26Å; K232-E236 WeakPolarHBondContact O-CG 3.22Å; K232-E236 PolarHBondContact O-N 3.27Å; S233-E236 PolarHBondContact O-N 2.98Å; E236-Q238 VanDerWaalsContact C-N 3.35Å; E236-Q238 PolarHBondContact O-N 3.1Å; E236-A239 PolarHBondContact O-N 3.21Å; E236-C240 WeakPolarHBondContact O-CB 3.38Å; E236-C240 PolarHBondContact O-N 2.85Å
237	K	92.1	Very high	94.2	Very high	18 Å²	18	76 Å²	76	8%	0.078	37%	0.372	C	S	.	.	H	α-helix	trans	-60.3	-42.9	174.5	-76	177.5	-177.2	179.5	0	111.8	S233 T234 Q235 C240 R241 E392 K398 H400 L410	S233-K237 WeakPolarHBondContact O-CB 3.5Å; S233-K237 VanDerWaalsContact O-CG 3.28Å; S233-K237 WeakPolarHBondContact O-CG 3.4Å; S233-K237 PolarHBondContact O-N 3.25Å; T234-K237 PolarHBondContact O-N 3.34Å; Q235-K237 PolarHBondContact O-N 2.92Å; K237-C240 PolarHBondContact O-N 3.08Å; K237-R241 WeakPolarHBondContact O-CG 3.24Å; K237-R241 PolarHBondContact O-N 3.04Å; K237-R241 VanDerWaalsContact O-N 3.12Å; K237-E392 WeakPolarHBondContact CE-OE1 3.41Å; K237-E392 IonicContact NZ-OE1 3.7Å; K237-K398 PolarHBondContact NZ-O 2.96Å; K237-K398 VanDerWaalsContact NZ-O 3.08Å; K237-H400 PolarHBondContact NZ-CE1 3.48Å; K237-H400 PolarHBondContact NZ-NE2 3.07Å; K237-L410 VanDerWaalsContact CE-O 3.24Å; K237-L410 WeakPolarHBondContact CE-O 3.35Å; K237-L410 PolarHBondContact NZ-O 3.06Å
238	Q	93.8	Very high	94.1	Very high	97 Å²	97	75.1 Å²	75.1	45%	0.453	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-48.2	179	-178.8	58.6	26.6	0	0	111.7	T234 Q235 E236 C240 R241 E242	T234-Q238 WeakPolarHBondContact O-CB 3.37Å; T234-Q238 PolarHBondContact O-N 3.25Å; Q235-Q238 PolarHBondContact O-N 3.1Å; E236-Q238 VanDerWaalsContact C-N 3.35Å; E236-Q238 PolarHBondContact O-N 3.1Å; Q238-C240 VanDerWaalsContact C-N 3.26Å; Q238-C240 PolarHBondContact O-N 3.19Å; Q238-R241 PolarHBondContact O-N 3.31Å; Q238-R241 VanDerWaalsContact O-N 3.1Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.45Å; Q238-E242 PolarHBondContact NE2-OE1 3.39Å; Q238-E242 WeakPolarHBondContact O-CG 3.39Å; Q238-E242 PolarHBondContact O-N 3.28Å
239	A	94.5	Very high	93.8	Very high	55 Å²	55	76.8 Å²	76.8	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-58.4	-39	176.6	0	0	0	0	0	111.9	Q235 E236 E242 K243	Q235-A239 WeakPolarHBondContact O-CB 3.41Å; Q235-A239 PolarHBondContact O-N 3.34Å; E236-A239 PolarHBondContact O-N 3.21Å; A239-E242 PolarHBondContact O-N 2.75Å; A239-K243 WeakPolarHBondContact O-CB 3.43Å; A239-K243 PolarHBondContact O-N 3Å
240	C	91.8	Very high	93.7	Very high	31 Å²	31	78.7 Å²	78.7	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-65.5	-39.5	176.4	-165.9	0	0	0	0	113	E236 K237 Q238 S244 E385	E236-C240 WeakPolarHBondContact O-CB 3.38Å; E236-C240 PolarHBondContact O-N 2.85Å; K237-C240 PolarHBondContact O-N 3.08Å; Q238-C240 VanDerWaalsContact C-N 3.26Å; Q238-C240 PolarHBondContact O-N 3.19Å; C240-S244 WeakPolarHBondContact O-CB 3.31Å; C240-S244 PolarHBondContact O-N 3.4Å; C240-S244 PolarHBondContact O-OG 3.43Å; C240-E385 WeakPolarHBondContact SG-CG 3.36Å; C240-E385 PolarHBondContact SG-OE1 3Å
241	R	91.9	Very high	93.6	Very high	78 Å²	78	75.9 Å²	75.9	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-40.7	175.5	-72.9	-175	-177.6	97.9	-0.9	112	K237 Q238 S244 M245 I389 D393	K237-R241 WeakPolarHBondContact O-CG 3.24Å; K237-R241 PolarHBondContact O-N 3.04Å; K237-R241 VanDerWaalsContact O-N 3.12Å; Q238-R241 PolarHBondContact O-N 3.31Å; Q238-R241 VanDerWaalsContact O-N 3.1Å; R241-S244 PolarHBondContact O-N 3.48Å; R241-M245 WeakPolarHBondContact O-CB 3.32Å; R241-M245 PolarHBondContact O-N 3.4Å; R241-I389 HydrophobicContact CG-CD1 4.26Å; R241-I389 HydrophobicContact CG-CG2 4.43Å; R241-D393 IonicContact CZ-OD1 3.6Å; R241-D393 IonicContact NH2-OD1 3.71Å; R241-D393 PolarHBondContact NH2-OD1 2.95Å
242	E	93.3	Very high	93.5	Very high	96 Å²	96	71.4 Å²	71.4	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-46.4	175.2	-73.5	171.2	-169.1	0	0	111.5	Q238 A239 S244 M245 Q246	Q238-E242 WeakPolarHBondContact CG-OE1 3.45Å; Q238-E242 PolarHBondContact NE2-OE1 3.39Å; Q238-E242 WeakPolarHBondContact O-CG 3.39Å; Q238-E242 PolarHBondContact O-N 3.28Å; A239-E242 PolarHBondContact O-N 2.75Å; E242-S244 VanDerWaalsContact C-N 3.34Å; E242-S244 PolarHBondContact O-N 3.46Å; E242-M245 WeakPolarHBondContact O-CB 3.35Å; E242-M245 PolarHBondContact O-N 3.32Å; E242-Q246 WeakPolarHBondContact O-CG 3.3Å; E242-Q246 PolarHBondContact O-N 3.02Å
243	K	93	Very high	93.4	Very high	132 Å²	132	70.2 Å²	70.2	57%	0.574	34%	0.339	S	S	*	.	H	α-helix	trans	-58.4	-46.2	173.6	-175.9	-178.7	177.9	-176.1	0	111.6	A239 M245 Q246 D247	A239-K243 WeakPolarHBondContact O-CB 3.43Å; A239-K243 PolarHBondContact O-N 3Å; K243-M245 VanDerWaalsContact C-N 3.28Å; K243-M245 PolarHBondContact O-N 2.84Å; K243-Q246 PolarHBondContact O-N 2.92Å; K243-D247 WeakPolarHBondContact O-CB 3.36Å; K243-D247 PolarHBondContact O-N 3.38Å
244	S	92.5	Very high	93.2	Very high	11 Å²	11	72.7 Å²	72.7	8%	0.077	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-35.9	177.5	-63.5	0	0	0	0	112.2	C240 R241 E242 R248 H382	C240-S244 WeakPolarHBondContact O-CB 3.31Å; C240-S244 PolarHBondContact O-N 3.4Å; C240-S244 PolarHBondContact O-OG 3.43Å; R241-S244 PolarHBondContact O-N 3.48Å; E242-S244 VanDerWaalsContact C-N 3.34Å; E242-S244 PolarHBondContact O-N 3.46Å; S244-R248 PolarHBondContact O-N 3.39Å; S244-H382 PolarHBondContact O-CE1 3.02Å
245	M	90.7	Very high	92.9	Very high	141 Å²	141	71.7 Å²	71.7	70%	0.695	34%	0.343	S	S	*	.	H	α-helix	trans	-67.5	-39.8	175.6	-171.5	-176.1	-66.2	0	0	112.1	R241 E242 K243 R248	R241-M245 WeakPolarHBondContact O-CB 3.32Å; R241-M245 PolarHBondContact O-N 3.4Å; E242-M245 WeakPolarHBondContact O-CB 3.35Å; E242-M245 PolarHBondContact O-N 3.32Å; K243-M245 VanDerWaalsContact C-N 3.28Å; K243-M245 PolarHBondContact O-N 2.84Å; M245-R248 WeakPolarHBondContact O-CB 3.36Å; M245-R248 PolarHBondContact O-N 3.05Å
246	Q	90.4	Very high	92.6	Very high	143 Å²	143	70.4 Å²	70.4	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-66.1	-45.2	175.2	-68.7	173.3	6.2	0	0	111.6	E242 K243 R248 L249	E242-Q246 WeakPolarHBondContact O-CG 3.3Å; E242-Q246 PolarHBondContact O-N 3.02Å; K243-Q246 PolarHBondContact O-N 2.92Å; Q246-R248 PolarHBondContact O-N 3.05Å; Q246-L249 PolarHBondContact O-N 3.32Å
247	D	93.9	Very high	92.5	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-23.6	178.6	-84.9	-27.9	0	0	0	112.4	K243 L249 R250 L251	K243-D247 WeakPolarHBondContact O-CB 3.36Å; K243-D247 PolarHBondContact O-N 3.38Å; D247-L249 PolarHBondContact O-N 3.08Å; D247-R250 PolarHBondContact O-N 3.19Å; D247-R250 IonicContact OD1-NH1 3.11Å; D247-R250 PolarHBondContact OD1-NH1 3.23Å; D247-L251 HydrophobicContact CB-CD1 3.8Å; D247-L251 HydrophobicContact CB-CG 4.26Å; D247-L251 WeakPolarHBondContact O-CB 3.25Å; D247-L251 PolarHBondContact O-N 3.26Å
248	R	93	Very high	92.4	Very high	132 Å²	132	76.1 Å²	76.1	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-53.5	-47.2	175.7	-165	-170	175.7	160.4	1.2	113.3	S244 M245 Q246 G252 H253	S244-R248 PolarHBondContact O-N 3.39Å; M245-R248 WeakPolarHBondContact O-CB 3.36Å; M245-R248 PolarHBondContact O-N 3.05Å; Q246-R248 PolarHBondContact O-N 3.05Å; R248-G252 WeakPolarHBondContact CA-O 3.02Å; R248-G252 CarbonylContact O-C 3.41Å; R248-G252 VanDerWaalsContact O-C 3.22Å; R248-G252 VanDerWaalsContact O-CA 3.28Å; R248-G252 WeakPolarHBondContact O-CA 3.34Å; R248-G252 PolarHBondContact O-N 3.01Å; R248-G252 VanDerWaalsContact O-O 3.13Å; R248-H253 HydrophobicContact CG-CB 3.54Å
249	L	91.4	Very high	92	Very high	128 Å²	128	76.3 Å²	76.3	67%	0.67	37%	0.367	S	S	*	.	H	α-helix	trans	-77.9	-32	-178.6	-67.9	174.8	0	0	0	111.9	Q246 D247 G270 Y271	Q246-L249 PolarHBondContact O-N 3.32Å; D247-L249 PolarHBondContact O-N 3.08Å; L249-G270 VanDerWaalsContact O-CA 3.26Å; L249-G270 WeakPolarHBondContact O-CA 3.43Å; L249-Y271 VanDerWaalsContact O-CD1 3.23Å; L249-Y271 WeakPolarHBondContact O-CD1 3.44Å; L249-Y271 PolarHBondContact O-N 2.86Å
250	R	95	Very high	91.8	Very high	63 Å²	63	76.5 Å²	76.5	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-81.1	-50	-174.7	178.9	174.3	166	-98.1	-11	112.8	D247 G270 Y271 A272	D247-R250 PolarHBondContact O-N 3.19Å; D247-R250 IonicContact OD1-NH1 3.11Å; D247-R250 PolarHBondContact OD1-NH1 3.23Å; R250-G270 CarbonylContact O-C 3.2Å; R250-G270 WeakPolarHBondContact O-CA 3.41Å; R250-Y271 HydrophobicContact CB-CD1 4.34Å; R250-Y271 HydrophobicContact CB-CE1 3.59Å; R250-Y271 WeakPolarHBondContact CD-OH 3.48Å; R250-Y271 HydrophobicContact CG-CE1 4Å; R250-Y271 HydrophobicContact CG-CE2 4.2Å; R250-Y271 WeakPolarHBondContact CG-OH 3.44Å; R250-Y271 PolarHBondContact O-N 3.44Å; R250-A272 HydrophobicContact CG-CB 4.02Å; R250-A272 WeakPolarHBondContact O-CB 3.42Å; R250-A272 PolarHBondContact O-N 2.93Å
251	L	95.4	Very high	91.7	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-35.6	-174.3	-56.6	177.7	0	0	0	111.9	D247 G270 F273 L375 V378 H382	D247-L251 HydrophobicContact CB-CD1 3.8Å; D247-L251 HydrophobicContact CB-CG 4.26Å; D247-L251 WeakPolarHBondContact O-CB 3.25Å; D247-L251 PolarHBondContact O-N 3.26Å; L251-G270 PolarHBondContact O-N 2.92Å; L251-G270 VanDerWaalsContact O-N 3.14Å; L251-F273 HydrophobicContact CD2-CE2 4.4Å; L251-F273 WeakPolarHBondContact O-CD2 3.22Å; L251-L375 HydrophobicContact CD2-CD2 4.25Å; L251-V378 HydrophobicContact CD1-CG1 3.72Å; L251-V378 HydrophobicContact CD2-CG1 4.28Å; L251-H382 HydrophobicContact CD1-CB 3.7Å
252	G	94.3	Very high	91.3	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130	-179.4	-179.7	0	0	0	0	0	113.4	R248 W267 T268 G270	R248-G252 WeakPolarHBondContact CA-O 3.02Å; R248-G252 CarbonylContact O-C 3.41Å; R248-G252 VanDerWaalsContact O-C 3.22Å; R248-G252 VanDerWaalsContact O-CA 3.28Å; R248-G252 WeakPolarHBondContact O-CA 3.34Å; R248-G252 PolarHBondContact O-N 3.01Å; R248-G252 VanDerWaalsContact O-O 3.13Å; G252-W267 VanDerWaalsContact C-CH2 3.46Å; G252-W267 VanDerWaalsContact O-CH2 3.3Å; G252-W267 WeakPolarHBondContact O-CH2 3.18Å; G252-T268 CarbonylContact C-O 3.37Å; G252-T268 WeakPolarHBondContact CA-O 3.36Å; G252-G270 VanDerWaalsContact CA-N 3.34Å
253	H	93	Very high	91	Very high	53 Å²	53	81.7 Å²	81.7	25%	0.245	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	163.3	179.8	66.6	80.8	0	0	0	112.8	R248 T255 T268	R248-H253 HydrophobicContact CG-CB 3.54Å; H253-T255 PolarHBondContact CE1-OG1 3.39Å; H253-T255 PolarHBondContact ND1-OG1 3.44Å; H253-T268 PolarHBondContact N-O 3.48Å; H253-T268 PolarHBondContact O-N 3.32Å
254	F	91.6	Very high	90.9	Very high	55 Å²	55	78.2 Å²	78.2	24%	0.241	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	137.2	168.6	-68.3	-76.6	0	0	0	110.6	E265 Q266 W267 I383	F254-E265 HydrophobicContact CB-CB 4.48Å; F254-E265 HydrophobicContact CD1-CB 4.18Å; F254-Q266 CarbonylContact C-O 3.6Å; F254-Q266 WeakPolarHBondContact CA-O 3.42Å; F254-W267 HydrophobicContact CD1-CE3 4.06Å; F254-W267 AromaticContact CD2-CE3 3.87Å; F254-W267 HydrophobicContact CD2-CE3 3.87Å; F254-W267 AromaticContact CD2-CZ3 3.89Å; F254-W267 HydrophobicContact CD2-CZ3 3.89Å; F254-W267 HydrophobicContact CE1-CB 4.3Å; F254-W267 AromaticContact CE1-CE3 3.85Å; F254-W267 HydrophobicContact CE1-CE3 3.85Å; F254-W267 AromaticContact CE2-CE3 3.64Å; F254-W267 HydrophobicContact CE2-CE3 3.64Å; F254-W267 AromaticContact CE2-CZ3 3.66Å; F254-W267 HydrophobicContact CE2-CZ3 3.66Å; F254-W267 HydrophobicContact CG-CE3 4.07Å; F254-W267 HydrophobicContact CG-CZ3 4.49Å; F254-W267 AromaticContact CZ-CE3 3.62Å; F254-W267 HydrophobicContact CZ-CE3 3.62Å; F254-W267 HydrophobicContact CZ-CZ3 4.09Å; F254-I383 HydrophobicContact CE2-CG1 4.31Å; F254-I383 HydrophobicContact CE2-CG2 4.11Å; F254-I383 HydrophobicContact CZ-CG1 4.37Å; F254-I383 HydrophobicContact CZ-CG2 4.03Å
255	T	89	Confident	90.8	Very high	49 Å²	49	84.5 Å²	84.5	30%	0.301	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.4	173.2	-53.5	0	0	0	0	107.8	H253 V257 Q266 T268	H253-T255 PolarHBondContact CE1-OG1 3.39Å; H253-T255 PolarHBondContact ND1-OG1 3.44Å; T255-V257 PolarHBondContact O-N 2.95Å; T255-Q266 PolarHBondContact N-O 2.85Å; T255-Q266 PolarHBondContact O-N 3.35Å; T255-T268 PolarHBondContact OG1-OG1 3.17Å
256	T	90.1	Very high	90.8	Very high	90 Å²	90	80.8 Å²	80.8	55%	0.552	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.3	175.6	-48.3	0	0	0	0	109.4	F263	T256-F263 HydrophobicContact CG2-CB 3.74Å; T256-F263 HydrophobicContact CG2-CD1 3.84Å; T256-F263 HydrophobicContact CG2-CG 4.14Å
257	V	91.4	Very high	90.9	Very high	47 Å²	47	75.7 Å²	75.7	29%	0.285	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.9	178.5	-174.3	0	0	0	0	109.1	T255 F263 T264 Q266	T255-V257 PolarHBondContact O-N 2.95Å; V257-F263 WeakPolarHBondContact O-CA 3.12Å; V257-T264 PolarHBondContact N-O 2.85Å; V257-T264 PolarHBondContact O-N 3.3Å; V257-Q266 HydrophobicContact CG2-CB 4.02Å
258	R	90.7	Very high	90.9	Very high	176 Å²	176	77.5 Å²	77.5	66%	0.664	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.2	178.7	-174.8	179.8	175	-178.7	1.7	110.3	G260 F263	R258-G260 PolarHBondContact NE-O 2.9Å; R258-G260 PolarHBondContact NH2-O 2.86Å; R258-F263 HydrophobicContact CB-CD1 3.99Å; R258-F263 HydrophobicContact CB-CE1 3.88Å; R258-F263 HydrophobicContact CG-CD1 4.34Å; R258-F263 HydrophobicContact CG-CE1 4.06Å; R258-F263 HydrophobicContact CG-CZ 4.46Å
259	H	86.1	Confident	91	Very high	101 Å²	101	74.1 Å²	74.1	47%	0.468	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	93.6	171	-71.8	-96.1	0	0	0	109.7	A261 S262 T264	H259-A261 PolarHBondContact O-N 3.26Å; H259-A261 VanDerWaalsContact O-N 3.17Å; H259-S262 CarbonylContact C-O 3.48Å; H259-S262 PolarHBondContact N-O 3.25Å; H259-S262 PolarHBondContact O-N 3.38Å; H259-S262 PolarHBondContact O-OG 3.09Å; H259-T264 PolarHBondContact CD2-OG1 2.88Å; H259-T264 PolarHBondContact NE2-OG1 2.84Å
260	G	88.9	Confident	91.1	Very high	59 Å²	59	68.4 Å²	68.4	61%	0.608	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	-113.3	-177.7	0	0	0	0	0	112.5	R258	R258-G260 PolarHBondContact NE-O 2.9Å; R258-G260 PolarHBondContact NH2-O 2.86Å
261	A	89.8	Confident	91.1	Very high	107 Å²	107	71.1 Å²	71.1	88%	0.884	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.8	176.3	0	0	0	0	0	113.7	H259	H259-A261 PolarHBondContact O-N 3.26Å; H259-A261 VanDerWaalsContact O-N 3.17Å
262	S	83.4	Confident	91.1	Very high	62 Å²	62	71.8 Å²	71.8	43%	0.434	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.2	-178.3	66.6	0	0	0	0	111.8	H259	H259-S262 CarbonylContact C-O 3.48Å; H259-S262 PolarHBondContact N-O 3.25Å; H259-S262 PolarHBondContact O-N 3.38Å; H259-S262 PolarHBondContact O-OG 3.09Å
263	F	88.4	Confident	91.1	Very high	144 Å²	144	72.1 Å²	72.1	63%	0.632	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	170.2	-67.6	-85.7	0	0	0	108.5	T256 V257 R258	T256-F263 HydrophobicContact CG2-CB 3.74Å; T256-F263 HydrophobicContact CG2-CD1 3.84Å; T256-F263 HydrophobicContact CG2-CG 4.14Å; V257-F263 WeakPolarHBondContact O-CA 3.12Å; R258-F263 HydrophobicContact CB-CD1 3.99Å; R258-F263 HydrophobicContact CB-CE1 3.88Å; R258-F263 HydrophobicContact CG-CD1 4.34Å; R258-F263 HydrophobicContact CG-CE1 4.06Å; R258-F263 HydrophobicContact CG-CZ 4.46Å
264	T	89.3	Confident	91.2	Very high	60 Å²	60	74 Å²	74	37%	0.368	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.8	174.8	57.9	0	0	0	0	109.5	V257 H259	V257-T264 PolarHBondContact N-O 2.85Å; V257-T264 PolarHBondContact O-N 3.3Å; H259-T264 PolarHBondContact CD2-OG1 2.88Å; H259-T264 PolarHBondContact NE2-OG1 2.84Å
265	E	90.4	Very high	91.4	Very high	142 Å²	142	75.2 Å²	75.2	66%	0.664	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.8	173.1	-62.9	-173.4	145	0	0	109.5	F254	F254-E265 HydrophobicContact CB-CB 4.48Å; F254-E265 HydrophobicContact CD1-CB 4.18Å
266	Q	91.1	Very high	91.6	Very high	63 Å²	63	73.5 Å²	73.5	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.6	175.6	-170.4	175.6	6.8	0	0	109.7	E45 F254 T255 V257	E45-Q266 PolarHBondContact OE1-NE2 3.13Å; E45-Q266 PolarHBondContact OE2-NE2 3.1Å; F254-Q266 CarbonylContact C-O 3.6Å; F254-Q266 WeakPolarHBondContact CA-O 3.42Å; T255-Q266 PolarHBondContact N-O 2.85Å; T255-Q266 PolarHBondContact O-N 3.35Å; V257-Q266 HydrophobicContact CG2-CB 4.02Å
267	W	92.9	Very high	91.8	Very high	37 Å²	37	72.8 Å²	72.8	14%	0.14	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.4	176.4	-175.5	-94.9	0	0	0	110.5	G252 F254 D269 R379 H382 I383 L386	G252-W267 VanDerWaalsContact C-CH2 3.46Å; G252-W267 VanDerWaalsContact O-CH2 3.3Å; G252-W267 WeakPolarHBondContact O-CH2 3.18Å; F254-W267 HydrophobicContact CD1-CE3 4.06Å; F254-W267 AromaticContact CD2-CE3 3.87Å; F254-W267 HydrophobicContact CD2-CE3 3.87Å; F254-W267 AromaticContact CD2-CZ3 3.89Å; F254-W267 HydrophobicContact CD2-CZ3 3.89Å; F254-W267 HydrophobicContact CE1-CB 4.3Å; F254-W267 AromaticContact CE1-CE3 3.85Å; F254-W267 HydrophobicContact CE1-CE3 3.85Å; F254-W267 AromaticContact CE2-CE3 3.64Å; F254-W267 HydrophobicContact CE2-CE3 3.64Å; F254-W267 AromaticContact CE2-CZ3 3.66Å; F254-W267 HydrophobicContact CE2-CZ3 3.66Å; F254-W267 HydrophobicContact CG-CE3 4.07Å; F254-W267 HydrophobicContact CG-CZ3 4.49Å; F254-W267 AromaticContact CZ-CE3 3.62Å; F254-W267 HydrophobicContact CZ-CE3 3.62Å; F254-W267 HydrophobicContact CZ-CZ3 4.09Å; W267-D269 PolarHBondContact NE1-OD1 3.2Å; W267-R379 HydrophobicContact CH2-CG 4.36Å; W267-R379 HydrophobicContact CZ2-CG 3.65Å; W267-H382 AromaticContact CH2-CD2 3.93Å; W267-I383 HydrophobicContact CD2-CD1 4.17Å; W267-I383 HydrophobicContact CE3-CD1 3.92Å; W267-I383 HydrophobicContact CE3-CG1 3.85Å; W267-I383 HydrophobicContact CH2-CD1 4.08Å; W267-I383 HydrophobicContact CH2-CG1 3.54Å; W267-I383 HydrophobicContact CZ2-CD1 4.31Å; W267-I383 HydrophobicContact CZ2-CG1 4.24Å; W267-I383 HydrophobicContact CZ3-CD1 3.89Å; W267-I383 HydrophobicContact CZ3-CG1 3.33Å; W267-L386 HydrophobicContact CZ3-CD1 4.35Å
268	T	93.3	Very high	92	Very high	60 Å²	60	76.6 Å²	76.6	37%	0.368	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.2	174.6	-52.6	0	0	0	0	108.7	G252 H253 T255	G252-T268 CarbonylContact C-O 3.37Å; G252-T268 WeakPolarHBondContact CA-O 3.36Å; H253-T268 PolarHBondContact N-O 3.48Å; H253-T268 PolarHBondContact O-N 3.32Å; T255-T268 PolarHBondContact OG1-OG1 3.17Å
269	D	94.6	Very high	92.1	Very high	61 Å²	61	73.1 Å²	73.1	33%	0.326	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	139.5	-176.6	-79.5	-22.8	0	0	0	113.1	W267 F273 Q274 R379	W267-D269 PolarHBondContact NE1-OD1 3.2Å; D269-F273 HydrophobicContact CB-CB 3.91Å; D269-F273 HydrophobicContact CB-CG 4.48Å; D269-Q274 PolarHBondContact O-NE2 3.24Å; D269-R379 IonicContact OD1-NH1 2.79Å
270	G	94.9	Very high	92.5	Very high	7 Å²	7	70.1 Å²	70.1	7%	0.072	38%	0.381	C	S	.	.			trans	-81	179.8	176.5	0	0	0	0	0	114	L249 R250 L251 G252 A272 F273 Q274	L249-G270 VanDerWaalsContact O-CA 3.26Å; L249-G270 WeakPolarHBondContact O-CA 3.43Å; R250-G270 CarbonylContact O-C 3.2Å; R250-G270 WeakPolarHBondContact O-CA 3.41Å; L251-G270 PolarHBondContact O-N 2.92Å; L251-G270 VanDerWaalsContact O-N 3.14Å; G252-G270 VanDerWaalsContact CA-N 3.34Å; G270-A272 PolarHBondContact O-N 3.49Å; G270-A272 VanDerWaalsContact O-N 3.12Å; G270-F273 PolarHBondContact O-N 3.13Å; G270-Q274 WeakPolarHBondContact O-CG 3.39Å; G270-Q274 PolarHBondContact O-N 3.18Å
271	Y	95.2	Very high	92.8	Very high	121 Å²	121	73 Å²	73	48%	0.475	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-29	-172.9	71.8	-103.5	0	0	0	113.6	L249 R250 Q274 N275	L249-Y271 VanDerWaalsContact O-CD1 3.23Å; L249-Y271 WeakPolarHBondContact O-CD1 3.44Å; L249-Y271 PolarHBondContact O-N 2.86Å; R250-Y271 HydrophobicContact CB-CD1 4.34Å; R250-Y271 HydrophobicContact CB-CE1 3.59Å; R250-Y271 WeakPolarHBondContact CD-OH 3.48Å; R250-Y271 HydrophobicContact CG-CE1 4Å; R250-Y271 HydrophobicContact CG-CE2 4.2Å; R250-Y271 WeakPolarHBondContact CG-OH 3.44Å; R250-Y271 PolarHBondContact O-N 3.44Å; Y271-Q274 PolarHBondContact O-N 3.27Å; Y271-N275 WeakPolarHBondContact O-CB 3.35Å; Y271-N275 PolarHBondContact O-N 3.37Å; Y271-N275 PolarHBondContact O-ND2 3.46Å; Y271-N275 PolarHBondContact O-OD1 3.47Å
272	A	94.8	Very high	93	Very high	14 Å²	14	76.2 Å²	76.2	12%	0.116	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-43.5	-176.8	0	0	0	0	0	111.6	R250 G270 L276 L375	R250-A272 HydrophobicContact CG-CB 4.02Å; R250-A272 WeakPolarHBondContact O-CB 3.42Å; R250-A272 PolarHBondContact O-N 2.93Å; G270-A272 PolarHBondContact O-N 3.49Å; G270-A272 VanDerWaalsContact O-N 3.12Å; A272-L276 PolarHBondContact O-N 2.95Å; A272-L375 HydrophobicContact CB-CD1 3.77Å; A272-L375 HydrophobicContact CB-CD2 4.22Å
273	F	95.1	Very high	93.5	Very high	6 Å²	6	73.5 Å²	73.5	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-43.8	174.9	-76.6	-85.4	0	0	0	111.4	L251 D269 G270 N275 L276 V277 L372 L375 E376 R379	L251-F273 HydrophobicContact CD2-CE2 4.4Å; L251-F273 WeakPolarHBondContact O-CD2 3.22Å; D269-F273 HydrophobicContact CB-CB 3.91Å; D269-F273 HydrophobicContact CB-CG 4.48Å; G270-F273 PolarHBondContact O-N 3.13Å; F273-N275 VanDerWaalsContact C-N 3.26Å; F273-N275 PolarHBondContact O-N 3.09Å; F273-L276 PolarHBondContact O-N 3.44Å; F273-L276 VanDerWaalsContact O-N 3.13Å; F273-V277 WeakPolarHBondContact O-CG2 3.37Å; F273-V277 PolarHBondContact O-N 2.88Å; F273-L372 HydrophobicContact CD1-CD1 3.8Å; F273-L372 HydrophobicContact CE1-CD1 3.85Å; F273-L375 HydrophobicContact CE1-CB 3.91Å; F273-L375 HydrophobicContact CE2-CB 4.05Å; F273-L375 HydrophobicContact CZ-CB 3.61Å; F273-E376 HydrophobicContact CE1-CG 3.95Å; F273-E376 HydrophobicContact CZ-CG 4.35Å; F273-R379 HydrophobicContact CE2-CB 3.99Å; F273-R379 HydrophobicContact CE2-CG 4.32Å; F273-R379 HydrophobicContact CZ-CB 3.87Å; F273-R379 HydrophobicContact CZ-CG 4.37Å
274	Q	94.4	Very high	93.7	Very high	94 Å²	94	68.8 Å²	68.8	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-38.5	177.8	-66.1	175.8	12.4	0	0	112.2	D269 G270 Y271 V277 K278	D269-Q274 PolarHBondContact O-NE2 3.24Å; G270-Q274 WeakPolarHBondContact O-CG 3.39Å; G270-Q274 PolarHBondContact O-N 3.18Å; Y271-Q274 PolarHBondContact O-N 3.27Å; Q274-V277 PolarHBondContact O-N 3.43Å; Q274-K278 WeakPolarHBondContact O-CG 3.35Å; Q274-K278 PolarHBondContact O-N 3.29Å; Q274-K278 VanDerWaalsContact O-N 3.09Å
275	N	95	Very high	94	Very high	79 Å²	79	69.9 Å²	69.9	42%	0.422	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-41.5	176.5	-72	-12.7	0	0	0	112.1	Y271 F273 K278 Q279	Y271-N275 WeakPolarHBondContact O-CB 3.35Å; Y271-N275 PolarHBondContact O-N 3.37Å; Y271-N275 PolarHBondContact O-ND2 3.46Å; Y271-N275 PolarHBondContact O-OD1 3.47Å; F273-N275 VanDerWaalsContact C-N 3.26Å; F273-N275 PolarHBondContact O-N 3.09Å; N275-K278 PolarHBondContact O-N 3.44Å; N275-Q279 WeakPolarHBondContact O-CG 3.31Å; N275-Q279 PolarHBondContact O-N 3.19Å
276	L	94.1	Very high	94.3	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-41	175.2	-71.6	-173.7	0	0	0	112.2	A272 F273 K278 Q279 Q280 I368 E371 L372 L375	A272-L276 PolarHBondContact O-N 2.95Å; F273-L276 PolarHBondContact O-N 3.44Å; F273-L276 VanDerWaalsContact O-N 3.13Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.36Å; L276-Q279 PolarHBondContact O-N 2.92Å; L276-Q280 WeakPolarHBondContact O-CB 3.39Å; L276-Q280 PolarHBondContact O-N 3.45Å; L276-I368 HydrophobicContact CD2-CG2 4.39Å; L276-E371 HydrophobicContact CD1-CB 4.42Å; L276-E371 HydrophobicContact CD1-CG 4.07Å; L276-E371 HydrophobicContact CD2-CB 4.34Å; L276-E371 HydrophobicContact CD2-CG 3.94Å; L276-L372 HydrophobicContact CD1-CB 3.97Å; L276-L372 HydrophobicContact CD1-CD1 4.14Å; L276-L375 HydrophobicContact CD1-CD1 3.51Å; L276-L375 HydrophobicContact CD1-CG 4.38Å; L276-L375 HydrophobicContact CG-CD1 4.16Å
277	V	94.3	Very high	94.4	Very high	75 Å²	75	67.1 Å²	67.1	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-46.8	176	172	0	0	0	0	110.4	F273 Q274 Q279 Q280 E281	F273-V277 WeakPolarHBondContact O-CG2 3.37Å; F273-V277 PolarHBondContact O-N 2.88Å; Q274-V277 PolarHBondContact O-N 3.43Å; V277-Q279 VanDerWaalsContact C-N 3.34Å; V277-Q279 PolarHBondContact O-N 3.08Å; V277-Q280 PolarHBondContact O-N 3.22Å; V277-E281 WeakPolarHBondContact O-CG 3.34Å; V277-E281 PolarHBondContact O-N 3.49Å
278	K	94.8	Very high	94.5	Very high	126 Å²	126	70.3 Å²	70.3	55%	0.548	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.9	-72.1	173	-177.4	175.4	0	112.8	Q274 N275 L276 E281 W282	Q274-K278 WeakPolarHBondContact O-CG 3.35Å; Q274-K278 PolarHBondContact O-N 3.29Å; Q274-K278 VanDerWaalsContact O-N 3.09Å; N275-K278 PolarHBondContact O-N 3.44Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.36Å; K278-E281 PolarHBondContact O-N 2.87Å; K278-W282 WeakPolarHBondContact O-CB 2.83Å; K278-W282 PolarHBondContact O-N 2.86Å
279	Q	94	Very high	94.6	Very high	103 Å²	103	69.6 Å²	69.6	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-41.3	176.4	-73.4	-180	-20.2	0	0	111.7	N275 L276 V277 W282 I283 I368	N275-Q279 WeakPolarHBondContact O-CG 3.31Å; N275-Q279 PolarHBondContact O-N 3.19Å; L276-Q279 PolarHBondContact O-N 2.92Å; V277-Q279 VanDerWaalsContact C-N 3.34Å; V277-Q279 PolarHBondContact O-N 3.08Å; Q279-W282 WeakPolarHBondContact O-CB 3.25Å; Q279-W282 PolarHBondContact O-N 3.31Å; Q279-I283 PolarHBondContact O-N 3.44Å; Q279-I368 HydrophobicContact CB-CD1 3.59Å
280	Q	94.3	Very high	94.5	Very high	39 Å²	39	67.2 Å²	67.2	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-42.6	176.5	-173.9	63.9	55	0	0	111.7	L276 V277 W282 I283 N284 E365 I368	L276-Q280 WeakPolarHBondContact O-CB 3.39Å; L276-Q280 PolarHBondContact O-N 3.45Å; V277-Q280 PolarHBondContact O-N 3.22Å; Q280-W282 VanDerWaalsContact C-N 3.34Å; Q280-I283 PolarHBondContact O-N 3.26Å; Q280-N284 PolarHBondContact NE2-OD1 3.41Å; Q280-N284 WeakPolarHBondContact O-CB 3.43Å; Q280-N284 PolarHBondContact O-N 3.5Å; Q280-N284 PolarHBondContact O-ND2 3.14Å; Q280-E365 PolarHBondContact NE2-OE1 2.74Å; Q280-I368 HydrophobicContact CB-CG2 4.43Å
281	E	94.7	Very high	94.4	Very high	118 Å²	118	70.2 Å²	70.2	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-60.3	-43.1	173.7	-73.2	173.1	170.7	0	0	111.6	V277 K278 N284 Q285	V277-E281 WeakPolarHBondContact O-CG 3.34Å; V277-E281 PolarHBondContact O-N 3.49Å; K278-E281 PolarHBondContact O-N 2.87Å; E281-N284 PolarHBondContact O-N 2.88Å; E281-Q285 WeakPolarHBondContact O-CB 3.29Å; E281-Q285 PolarHBondContact O-N 3.17Å
282	W	94.4	Very high	94.4	Very high	175 Å²	175	70.7 Å²	70.7	66%	0.663	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-47.1	176.4	-177.1	-97.5	0	0	0	112.5	K278 Q279 Q280 N284 Q285 Q286	K278-W282 WeakPolarHBondContact O-CB 2.83Å; K278-W282 PolarHBondContact O-N 2.86Å; Q279-W282 WeakPolarHBondContact O-CB 3.25Å; Q279-W282 PolarHBondContact O-N 3.31Å; Q280-W282 VanDerWaalsContact C-N 3.34Å; W282-N284 VanDerWaalsContact C-N 3.34Å; W282-N284 PolarHBondContact O-N 3.23Å; W282-Q285 PolarHBondContact O-N 3.36Å; W282-Q286 WeakPolarHBondContact O-CG 3.41Å; W282-Q286 PolarHBondContact O-N 3.15Å
283	I	93.7	Very high	94.3	Very high	6 Å²	6	74.3 Å²	74.3	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-43.8	176.2	-71	-175.3	0	0	0	111	Q279 Q280 Q285 Q286 R287 L361 E364 E365 I368	Q279-I283 PolarHBondContact O-N 3.44Å; Q280-I283 PolarHBondContact O-N 3.26Å; I283-Q285 VanDerWaalsContact C-N 3.32Å; I283-Q285 PolarHBondContact O-N 3.03Å; I283-Q286 PolarHBondContact O-N 3.35Å; I283-R287 WeakPolarHBondContact O-CB 3.48Å; I283-R287 PolarHBondContact O-N 2.88Å; I283-L361 HydrophobicContact CG2-CB 4.4Å; I283-L361 HydrophobicContact CG2-CD2 4.33Å; I283-E364 HydrophobicContact CD1-CB 3.51Å; I283-E365 HydrophobicContact CG2-CB 4.37Å; I283-I368 HydrophobicContact CD1-CD1 3.42Å; I283-I368 VanDerWaalsContact CD1-CD1 3.42Å; I283-I368 HydrophobicContact CD1-CG1 4.34Å; I283-I368 HydrophobicContact CG1-CD1 4.3Å
284	N	93.4	Very high	94.1	Very high	45 Å²	45	78 Å²	78	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-44.4	178	-74.1	-22.8	0	0	0	111.2	Q280 E281 W282 R287 E288	Q280-N284 PolarHBondContact NE2-OD1 3.41Å; Q280-N284 WeakPolarHBondContact O-CB 3.43Å; Q280-N284 PolarHBondContact O-N 3.5Å; Q280-N284 PolarHBondContact O-ND2 3.14Å; E281-N284 PolarHBondContact O-N 2.88Å; W282-N284 VanDerWaalsContact C-N 3.34Å; W282-N284 PolarHBondContact O-N 3.23Å; N284-R287 WeakPolarHBondContact O-CB 3.48Å; N284-R287 PolarHBondContact O-N 3.47Å; N284-R287 VanDerWaalsContact OD1-CZ 3.3Å; N284-R287 PolarHBondContact OD1-NH1 2.89Å; N284-R287 PolarHBondContact OD1-NH2 3.45Å; N284-E288 WeakPolarHBondContact O-CG 3.43Å; N284-E288 PolarHBondContact O-N 2.98Å
285	Q	95.5	Very high	94	Very high	83 Å²	83	79.8 Å²	79.8	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-46.8	176.9	-175	59.8	57.8	0	0	111.8	E281 W282 I283 R287 E288 D289	E281-Q285 WeakPolarHBondContact O-CB 3.29Å; E281-Q285 PolarHBondContact O-N 3.17Å; W282-Q285 PolarHBondContact O-N 3.36Å; I283-Q285 VanDerWaalsContact C-N 3.32Å; I283-Q285 PolarHBondContact O-N 3.03Å; Q285-R287 VanDerWaalsContact C-N 3.32Å; Q285-R287 PolarHBondContact O-N 3.35Å; Q285-E288 PolarHBondContact O-N 3.27Å; Q285-D289 PolarHBondContact NE2-OD2 2.8Å; Q285-D289 PolarHBondContact O-N 3.46Å
286	Q	94.8	Very high	93.7	Very high	68 Å²	68	80.8 Å²	80.8	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-39.7	176.6	-68.2	-57.4	-59.6	0	0	112.2	W282 I283 D289 I290 L361	W282-Q286 WeakPolarHBondContact O-CG 3.41Å; W282-Q286 PolarHBondContact O-N 3.15Å; I283-Q286 PolarHBondContact O-N 3.35Å; Q286-D289 PolarHBondContact O-N 3.27Å; Q286-I290 WeakPolarHBondContact O-CG1 3.16Å; Q286-I290 PolarHBondContact O-N 2.8Å; Q286-L361 HydrophobicContact CB-CD1 3.9Å; Q286-L361 HydrophobicContact CB-CD2 4.13Å
287	R	94.3	Very high	93.4	Very high	79 Å²	79	80.7 Å²	80.7	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-44.8	176	-176.1	178	67.4	-144.6	-6.3	111.3	I283 N284 Q285 I290 E291 L358 L361 E365	I283-R287 WeakPolarHBondContact O-CB 3.48Å; I283-R287 PolarHBondContact O-N 2.88Å; N284-R287 WeakPolarHBondContact O-CB 3.48Å; N284-R287 PolarHBondContact O-N 3.47Å; N284-R287 VanDerWaalsContact OD1-CZ 3.3Å; N284-R287 PolarHBondContact OD1-NH1 2.89Å; N284-R287 PolarHBondContact OD1-NH2 3.45Å; Q285-R287 VanDerWaalsContact C-N 3.32Å; Q285-R287 PolarHBondContact O-N 3.35Å; R287-I290 PolarHBondContact O-N 3.41Å; R287-E291 WeakPolarHBondContact O-CB 3.36Å; R287-E291 PolarHBondContact O-N 2.91Å; R287-L358 HydrophobicContact CG-CD1 3.83Å; R287-L361 HydrophobicContact CB-CD1 4.16Å; R287-E365 IonicContact NH1-OE1 2.69Å; R287-E365 PolarHBondContact NH1-OE1 3.03Å; R287-E365 IonicContact NH1-OE2 2.74Å; R287-E365 PolarHBondContact NH1-OE2 3.09Å
288	E	94.8	Very high	93	Very high	104 Å²	104	79.8 Å²	79.8	49%	0.486	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-37.4	176.8	-73.6	-179.8	-171.2	0	0	112.7	N284 Q285 E291 R292	N284-E288 WeakPolarHBondContact O-CG 3.43Å; N284-E288 PolarHBondContact O-N 2.98Å; Q285-E288 PolarHBondContact O-N 3.27Å; E288-E291 PolarHBondContact O-N 3.14Å; E288-R292 WeakPolarHBondContact O-CB 3.49Å; E288-R292 WeakPolarHBondContact O-CG 3.41Å; E288-R292 PolarHBondContact O-N 2.92Å
289	D	94.9	Very high	92.7	Very high	45 Å²	45	81.2 Å²	81.2	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-64	-46.9	174.4	-75.9	-37.9	0	0	0	111.7	Q285 Q286 E291 R292 Q293	Q285-D289 PolarHBondContact NE2-OD2 2.8Å; Q285-D289 PolarHBondContact O-N 3.46Å; Q286-D289 PolarHBondContact O-N 3.27Å; D289-E291 VanDerWaalsContact C-N 3.35Å; D289-E291 PolarHBondContact O-N 2.93Å; D289-R292 WeakPolarHBondContact O-CB 3.36Å; D289-R292 PolarHBondContact O-N 3.33Å; D289-R292 IonicContact OD1-CZ 2.69Å; D289-R292 IonicContact OD1-NE 2.82Å; D289-R292 IonicContact OD1-NH1 3.26Å; D289-R292 IonicContact OD1-NH2 3.84Å; D289-R292 PolarHBondContact OD1-NH2 3.38Å; D289-Q293 WeakPolarHBondContact O-CG 3.2Å; D289-Q293 PolarHBondContact O-N 3.25Å
290	I	93.3	Very high	92.2	Very high	10 Å²	10	81.9 Å²	81.9	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-43.9	176	-69.9	168.6	0	0	0	110.6	Q286 R287 R292 Q293 R294 F354 R357 L361	Q286-I290 WeakPolarHBondContact O-CG1 3.16Å; Q286-I290 PolarHBondContact O-N 2.8Å; R287-I290 PolarHBondContact O-N 3.41Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.16Å; I290-Q293 PolarHBondContact O-N 3.23Å; I290-Q293 VanDerWaalsContact O-N 3.15Å; I290-R294 HydrophobicContact CG2-CG 4.39Å; I290-R294 WeakPolarHBondContact O-CG 3.38Å; I290-R294 PolarHBondContact O-N 3.24Å; I290-F354 HydrophobicContact CG2-CB 4.15Å; I290-F354 HydrophobicContact CG2-CD1 3.99Å; I290-F354 HydrophobicContact CG2-CG 4.36Å; I290-R357 HydrophobicContact CD1-CB 3.73Å; I290-L361 HydrophobicContact CD1-CD1 3.64Å
291	E	93	Very high	91.7	Very high	70 Å²	70	86.2 Å²	86.2	33%	0.327	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-35	179.9	-168.9	56.3	-147.1	0	0	111.8	R287 E288 D289 R294 K295	R287-E291 WeakPolarHBondContact O-CB 3.36Å; R287-E291 PolarHBondContact O-N 2.91Å; E288-E291 PolarHBondContact O-N 3.14Å; D289-E291 VanDerWaalsContact C-N 3.35Å; D289-E291 PolarHBondContact O-N 2.93Å; E291-R294 IonicContact OE2-NH1 3.12Å; E291-R294 PolarHBondContact OE2-NH1 3.02Å; E291-R294 VanDerWaalsContact OE2-NH1 3.12Å; E291-K295 WeakPolarHBondContact O-CG 3.31Å; E291-K295 PolarHBondContact O-N 3.4Å
292	R	94.4	Very high	91	Very high	132 Å²	132	81.6 Å²	81.6	50%	0.498	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-44.8	169.1	-81.2	-173.8	-78.5	166	-12.7	112	E288 D289 I290 K295 L296	E288-R292 WeakPolarHBondContact O-CB 3.49Å; E288-R292 WeakPolarHBondContact O-CG 3.41Å; E288-R292 PolarHBondContact O-N 2.92Å; D289-R292 WeakPolarHBondContact O-CB 3.36Å; D289-R292 PolarHBondContact O-N 3.33Å; D289-R292 IonicContact OD1-CZ 2.69Å; D289-R292 IonicContact OD1-NE 2.82Å; D289-R292 IonicContact OD1-NH1 3.26Å; D289-R292 IonicContact OD1-NH2 3.84Å; D289-R292 PolarHBondContact OD1-NH2 3.38Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.16Å; R292-K295 PolarHBondContact O-N 3.27Å; R292-L296 WeakPolarHBondContact O-CG 3.21Å; R292-L296 PolarHBondContact O-N 3.46Å; R292-L296 VanDerWaalsContact O-N 3.07Å
293	Q	92.6	Very high	90	Very high	90 Å²	90	78.5 Å²	78.5	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-40.7	177.3	-72.5	177.2	-20	0	0	112.1	D289 I290 K295 L296 L297 F354	D289-Q293 WeakPolarHBondContact O-CG 3.2Å; D289-Q293 PolarHBondContact O-N 3.25Å; I290-Q293 PolarHBondContact O-N 3.23Å; I290-Q293 VanDerWaalsContact O-N 3.15Å; Q293-K295 PolarHBondContact O-N 2.98Å; Q293-L296 WeakPolarHBondContact O-CB 3.4Å; Q293-L296 PolarHBondContact O-N 3.4Å; Q293-L296 VanDerWaalsContact O-N 3.17Å; Q293-L297 WeakPolarHBondContact O-CB 3.5Å; Q293-L297 PolarHBondContact O-N 3.49Å; Q293-F354 HydrophobicContact CB-CE1 3.9Å; Q293-F354 HydrophobicContact CB-CE2 4.32Å; Q293-F354 HydrophobicContact CB-CZ 3.68Å
294	R	92.1	Very high	88.4	Confident	84 Å²	84	83 Å²	83	32%	0.317	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174	-72.8	-179.1	75.3	-149.7	5.5	112.4	I290 E291 L296 L297 A298 F354	I290-R294 HydrophobicContact CG2-CG 4.39Å; I290-R294 WeakPolarHBondContact O-CG 3.38Å; I290-R294 PolarHBondContact O-N 3.24Å; E291-R294 IonicContact OE2-NH1 3.12Å; E291-R294 PolarHBondContact OE2-NH1 3.02Å; E291-R294 VanDerWaalsContact OE2-NH1 3.12Å; R294-L296 VanDerWaalsContact C-N 3.29Å; R294-L296 PolarHBondContact O-N 3.07Å; R294-L297 PolarHBondContact O-N 3.09Å; R294-A298 WeakPolarHBondContact O-CB 3.13Å; R294-A298 PolarHBondContact O-N 3.28Å; R294-F354 HydrophobicContact CG-CB 3.71Å; R294-F354 HydrophobicContact CG-CD2 3.75Å; R294-F354 HydrophobicContact CG-CG 3.8Å
295	K	91.1	Very high	86.4	Confident	131 Å²	131	86.9 Å²	86.9	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-61.7	-36.7	174	-73.6	173.2	-177	175.5	0	112.2	E291 R292 Q293	E291-K295 WeakPolarHBondContact O-CG 3.31Å; E291-K295 PolarHBondContact O-N 3.4Å; R292-K295 PolarHBondContact O-N 3.27Å; Q293-K295 PolarHBondContact O-N 2.98Å
296	L	89.9	Confident	84.2	Confident	99 Å²	99	86.9 Å²	86.9	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-71.3	-41.2	174	-70.1	172.5	0	0	0	112.1	R292 Q293 R294 A298 K299	R292-L296 WeakPolarHBondContact O-CG 3.21Å; R292-L296 PolarHBondContact O-N 3.46Å; R292-L296 VanDerWaalsContact O-N 3.07Å; Q293-L296 WeakPolarHBondContact O-CB 3.4Å; Q293-L296 PolarHBondContact O-N 3.4Å; Q293-L296 VanDerWaalsContact O-N 3.17Å; R294-L296 VanDerWaalsContact C-N 3.29Å; R294-L296 PolarHBondContact O-N 3.07Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.03Å; L296-K299 WeakPolarHBondContact O-CB 3.43Å; L296-K299 PolarHBondContact O-N 3.25Å; L296-K299 VanDerWaalsContact O-N 3.16Å
297	L	87.6	Confident	81.5	Confident	12 Å²	12	91.7 Å²	91.7	6%	0.063	47%	0.47	C	S	.	.	H	α-helix	trans	-59.4	-43.7	175.2	-177.2	69.1	0	0	0	110.7	Q293 R294 K299 R300 K301 L342 Y347 Q350 E351 F354	Q293-L297 WeakPolarHBondContact O-CB 3.5Å; Q293-L297 PolarHBondContact O-N 3.49Å; R294-L297 PolarHBondContact O-N 3.09Å; L297-K299 PolarHBondContact O-N 3.17Å; L297-R300 CarbonylContact O-C 3.42Å; L297-R300 WeakPolarHBondContact O-CA 3.48Å; L297-R300 WeakPolarHBondContact O-CB 3.47Å; L297-R300 PolarHBondContact O-N 3.39Å; L297-K301 PolarHBondContact O-N 3.44Å; L297-L342 HydrophobicContact CD1-CD1 3.47Å; L297-L342 VanDerWaalsContact CD1-CD1 3.47Å; L297-Y347 HydrophobicContact CD1-CD2 3.93Å; L297-Y347 HydrophobicContact CD1-CE2 4.27Å; L297-Y347 HydrophobicContact CD2-CD2 4.48Å; L297-Y347 HydrophobicContact CD2-CE2 4.32Å; L297-Y347 HydrophobicContact CG-CD2 3.91Å; L297-Y347 HydrophobicContact CG-CE2 3.75Å; L297-Y347 WeakPolarHBondContact O-CE2 3.48Å; L297-Q350 HydrophobicContact CD1-CB 3.78Å; L297-Q350 HydrophobicContact CD1-CG 4.23Å; L297-Q350 HydrophobicContact CD2-CB 3.7Å; L297-Q350 HydrophobicContact CG-CB 4.41Å; L297-E351 HydrophobicContact CD2-CB 4.33Å; L297-F354 HydrophobicContact CB-CE2 4.35Å; L297-F354 HydrophobicContact CD2-CD2 3.92Å; L297-F354 HydrophobicContact CD2-CE2 3.9Å
298	A	86.4	Confident	79	Confident	56 Å²	56	94 Å²	94	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-57.4	-32.2	176.8	0	0	0	0	0	113.3	R294 L296 R300 K301	R294-A298 WeakPolarHBondContact O-CB 3.13Å; R294-A298 PolarHBondContact O-N 3.28Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.03Å; A298-R300 VanDerWaalsContact C-N 3.26Å; A298-R300 PolarHBondContact O-N 3.24Å; A298-K301 WeakPolarHBondContact O-CB 3.42Å; A298-K301 PolarHBondContact O-N 3.11Å
299	K	87.3	Confident	76.4	Confident	157 Å²	157	98 Å²	98	68%	0.683	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.8	174.3	-64.7	177.2	-178.3	-177.3	0	113.5	L296 L297	L296-K299 WeakPolarHBondContact O-CB 3.43Å; L296-K299 PolarHBondContact O-N 3.25Å; L296-K299 VanDerWaalsContact O-N 3.16Å; L297-K299 PolarHBondContact O-N 3.17Å
300	R	83.4	Confident	73.5	Confident	117 Å²	117	100.3 Å²	100.3	44%	0.442	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	10.1	178.7	-63.3	-177.5	177.8	176.7	-2.8	113.1	L297 A298 P339 L342	L297-R300 CarbonylContact O-C 3.42Å; L297-R300 WeakPolarHBondContact O-CA 3.48Å; L297-R300 WeakPolarHBondContact O-CB 3.47Å; L297-R300 PolarHBondContact O-N 3.39Å; A298-R300 VanDerWaalsContact C-N 3.26Å; A298-R300 PolarHBondContact O-N 3.24Å; R300-P339 HydrophobicContact CG-CB 3.97Å; R300-L342 HydrophobicContact CB-CD1 4.04Å; R300-L342 PolarHBondContact O-N 3.5Å
301	K	84	Confident	71.1	Confident	129 Å²	129	105.7 Å²	105.7	56%	0.561	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.9	-178.1	-172.6	174.2	-178.4	173.9	0	110.6	L297 A298 Y347	L297-K301 PolarHBondContact O-N 3.44Å; A298-K301 WeakPolarHBondContact O-CB 3.42Å; A298-K301 PolarHBondContact O-N 3.11Å; K301-Y347 HydrophobicContact CB-CD2 4.31Å; K301-Y347 HydrophobicContact CB-CE2 3.72Å; K301-Y347 HydrophobicContact CG-CD2 4.49Å; K301-Y347 HydrophobicContact CG-CE1 4.35Å; K301-Y347 HydrophobicContact CG-CE2 3.98Å
302	P	79.8	Confident	68.1	Low	22 Å²	22	108.7 Å²	108.7	14%	0.143	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-64.6	147.2	176.3	19.9	-26.8	0	0	0	111.4	S304 L342 L344	P302-S304 PolarHBondContact O-N 2.93Å; P302-L342 WeakPolarHBondContact CB-O 3.48Å; P302-L342 WeakPolarHBondContact CG-O 3.31Å; P302-L344 HydrophobicContact CG-CB 4.35Å; P302-L344 HydrophobicContact CG-CD1 4.05Å
303	P	74	Confident	65.3	Low	110 Å²	110	108.1 Å²	108.1	71%	0.714	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.9	176.7	24.3	-31.6	0	0	0	110.2	S305	P303-S305 PolarHBondContact O-N 3.39Å
304	S	59.9	Low	62.4	Low	99 Å²	99	111.2 Å²	111.2	69%	0.692	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-65.7	117.6	176.5	53.9	0	0	0	0	110	P302 S306	P302-S304 PolarHBondContact O-N 2.93Å; S304-S306 PolarHBondContact O-N 3.2Å
305	S	51.5	Low	59.6	Low	127 Å²	127	113.1 Å²	113.1	89%	0.888	66%	0.658	S	S	*	*			trans	-73.6	71.8	168.3	56.8	0	0	0	0	110.1	P303	P303-S305 PolarHBondContact O-N 3.39Å
306	S	49.3	Very low	57	Low	84 Å²	84	115.7 Å²	115.7	59%	0.587	67%	0.672	S	S	*	*			trans	-153.8	76.1	168.9	63.7	0	0	0	0	110.4	S304	S304-S306 PolarHBondContact O-N 3.2Å
307	N	38.3	Very low	55	Low	168 Å²	168	116 Å²	116	90%	0.898	68%	0.68	S	S	*	*			trans	-170.5	77	145.4	-101.8	-1.8	0	0	0	109.3	Q309	N307-Q309 PolarHBondContact O-N 3.39Å
308	S	41.6	Very low	52.4	Low	127 Å²	127	125.7 Å²	125.7	89%	0.888	72%	0.721	S	S	*	*			trans	-86.3	90.8	158.7	23.2	0	0	0	0	108.1
309	Q	39.3	Very low	50.1	Low	188 Å²	188	131.5 Å²	131.5	88%	0.879	74%	0.739	S	S	*	*			trans	-117.7	131.2	152.5	-91.9	-172.4	-5.7	0	0	109.1	N307	N307-Q309 PolarHBondContact O-N 3.39Å
310	A	34.1	Very low	47.4	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	75%	0.752	S	S	*	*			trans	-69.2	169.2	-169.2	0	0	0	0	0	113.6
311	P	43.6	Very low	45.1	Very low	123 Å²	123	139.4 Å²	139.4	80%	0.799	77%	0.77	S	S	*	*			trans	-91.9	147.7	-164	35.8	-30.5	0	0	0	113
312	T	31.1	Very low	42.7	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	79%	0.787	S	S	*	*			trans	-135	106.3	161.8	55	0	0	0	0	111.1
313	T	34	Very low	40.5	Very low	121 Å²	121	149.3 Å²	149.3	74%	0.742	82%	0.823	S	S	*	*			trans	19.1	137.6	140.5	59.6	0	0	0	0	121.9
314	N	31.7	Very low	39.1	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	83%	0.826	S	S	*	*			trans	80.5	104.2	146.6	-68	-9.4	0	0	0	119.5
315	S	34.6	Very low	37.8	Very low	123 Å²	123	150.8 Å²	150.8	86%	0.86	84%	0.835	S	S	*	*				179.9	129.2	104	57.8	0	0	0	0	111.6
316	E	35.2	Very low	37.1	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	83%	0.834	S	S	*	*			trans	-81	-176.6	-179.6	-128.5	-162	-178	0	0	112.3
317	P	49	Very low	36.4	Very low	106 Å²	106	151.8 Å²	151.8	69%	0.688	84%	0.841	S	S	*	*				-117.7	169.4	-118.8	36.2	-17.8	0	0	0	114.4
318	K	33.3	Very low	36.2	Very low	214 Å²	214	148.3 Å²	148.3	93%	0.93	84%	0.835	S	S	*	*			trans	-134.6	121.9	161	-93.1	-176.4	-179.6	172.8	0	113.5
319	Q	36.6	Very low	36.1	Very low	178 Å²	178	150.2 Å²	150.2	83%	0.832	83%	0.83	S	S	*	*			trans	-55.2	150.1	174.5	-63.1	170.4	-14.2	0	0	114
320	R	31.7	Very low	36.5	Very low	255 Å²	255	148.3 Å²	148.3	96%	0.962	83%	0.826	S	S	*	*			trans	-149.8	129.7	132.1	-112.5	174.1	-175.4	-178.9	0.9	111.5
321	K	35.3	Very low	36.8	Very low	186 Å²	186	150.4 Å²	150.4	81%	0.809	82%	0.824	S	S	*	*			trans	-63.2	152.7	-176.1	-64	169.5	173	174.5	0	112.9
322	T	32.1	Very low	37.2	Very low	150 Å²	150	150.5 Å²	150.5	92%	0.92	83%	0.825	S	S	*	*				-160.9	151.3	115.4	20	0	0	0	0	112.8
323	K	34.6	Very low	37.9	Very low	209 Å²	209	152.2 Å²	152.2	91%	0.909	82%	0.822	S	S	*	*			trans	-68.8	156.6	-160.9	-72.2	170.6	168	179.3	0	116.3
324	A	43.9	Very low	38.7	Very low	92 Å²	92	154.3 Å²	154.3	76%	0.76	83%	0.827	S	S	*	*			trans	-66.5	151.5	164.6	0	0	0	0	0	114.1
325	V	33.8	Very low	39.4	Very low	147 Å²	147	156.1 Å²	156.1	89%	0.891	83%	0.828	S	S	*	*			trans	-144.4	138	146.4	174.6	0	0	0	0	108.8
326	N	37	Very low	39.9	Very low	160 Å²	160	155.5 Å²	155.5	86%	0.856	82%	0.821	S	S	*	*			trans	-62.4	159.1	-178.2	-66.8	-30.5	0	0	0	115.2
327	G	33.2	Very low	40.7	Very low	72 Å²	72	152.1 Å²	152.1	74%	0.742	82%	0.818	S	S	*	*			trans	144.3	110.4	141.3	0	0	0	0	0	117.5
328	A	35.4	Very low	41	Very low	95 Å²	95	154.7 Å²	154.7	79%	0.785	83%	0.825	S	S	*	*			trans	67	125.5	136.8	0	0	0	0	0	122.3
329	E	39.3	Very low	42.3	Very low	167 Å²	167	147.8 Å²	147.8	78%	0.78	80%	0.802	S	S	*	*			trans	68.7	111.6	132	-64.1	-86.8	151.8	0	0	120.1
330	N	46.8	Very low	43.8	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	80%	0.801	S	S	*	*			trans	41.3	101.7	142.8	-70.5	-55.3	0	0	0	119.3
331	D	40.2	Very low	45.8	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	78%	0.781	S	S	*	*			trans	-128.8	115.7	154.6	-159	2.1	0	0	0	109.1	F333	D331-F333 PolarHBondContact O-N 3.37Å
332	P	51.9	Low	47.9	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	75%	0.752	S	S	*	*			trans	-84.6	55.7	-177.9	36.8	-33.8	0	0	0	110	L334	P332-L334 PolarHBondContact O-N 3.38Å
333	F	45.6	Very low	50.4	Low	169 Å²	169	130 Å²	130	74%	0.741	73%	0.731	S	S	*	*			trans	-98.1	87.8	176.1	-143.4	-96.2	0	0	0	109.9	D331 K335	D331-F333 PolarHBondContact O-N 3.37Å; F333-K335 PolarHBondContact O-N 3.19Å
334	L	50.5	Low	52.8	Low	164 Å²	164	125.1 Å²	125.1	86%	0.859	72%	0.715	S	S	*	*			trans	-50.4	110.1	166.9	-78.1	164.8	0	0	0	108.7	P332	P332-L334 PolarHBondContact O-N 3.38Å
335	K	46.5	Very low	54.8	Low	193 Å²	193	124.3 Å²	124.3	84%	0.839	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-50.5	125.8	165.2	-127.5	176.1	-175.7	175.7	0	107.1	F333 S337	F333-K335 PolarHBondContact O-N 3.19Å; K335-S337 PolarHBondContact O-N 3.36Å; K335-S337 VanDerWaalsContact O-N 3.15Å
336	P	46.9	Very low	57.3	Low	111 Å²	111	121.6 Å²	121.6	72%	0.721	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-54.6	127.1	175.7	-21	30.2	0	0	0	108.4	L338	P336-L338 PolarHBondContact O-N 3.25Å
337	S	51.3	Low	59.7	Low	114 Å²	114	114.8 Å²	114.8	80%	0.797	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-54.3	128.7	174.8	48.4	0	0	0	0	108.8	K335	K335-S337 PolarHBondContact O-N 3.36Å; K335-S337 VanDerWaalsContact O-N 3.15Å
338	L	54.8	Low	62.3	Low	160 Å²	160	116.4 Å²	116.4	84%	0.838	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-53.8	136.1	172.9	-86.7	156.8	0	0	0	108.2	P336 Q340	P336-L338 PolarHBondContact O-N 3.25Å; L338-Q340 PolarHBondContact O-N 2.78Å
339	P	61.6	Low	65	Low	70 Å²	70	117.8 Å²	117.8	46%	0.455	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-53.3	127.4	178.7	-23	31.4	0	0	0	110	R300 L341	R300-P339 HydrophobicContact CG-CB 3.97Å; P339-L341 PolarHBondContact O-N 3.26Å
340	Q	67.8	Low	67.3	Low	173 Å²	173	113.8 Å²	113.8	81%	0.808	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-52.3	117.2	172.4	-164.4	105	7.8	0	0	108.3	L338	L338-Q340 PolarHBondContact O-N 2.78Å
341	L	73.9	Confident	69.4	Low	106 Å²	106	110.4 Å²	110.4	56%	0.555	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-68.1	133.4	175.5	-74.6	166.5	0	0	0	108.7	P339	P339-L341 PolarHBondContact O-N 3.26Å
342	L	79.6	Confident	71.9	Confident	38 Å²	38	108.1 Å²	108.1	20%	0.199	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-79.8	154.2	177.4	-73.7	157.4	0	0	0	110.3	L297 R300 P302 E346	L297-L342 HydrophobicContact CD1-CD1 3.47Å; L297-L342 VanDerWaalsContact CD1-CD1 3.47Å; R300-L342 HydrophobicContact CB-CD1 4.04Å; R300-L342 PolarHBondContact O-N 3.5Å; P302-L342 WeakPolarHBondContact CB-O 3.48Å; P302-L342 WeakPolarHBondContact CG-O 3.31Å; L342-E346 HydrophobicContact CB-CB 4.39Å; L342-E346 HydrophobicContact CD2-CB 3.98Å
343	T	84.8	Confident	73.9	Confident	78 Å²	78	105 Å²	105	48%	0.479	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-65.6	157.9	165.1	66.5	0	0	0	0	110.2	A345 E346 Y347	T343-A345 PolarHBondContact O-N 3.29Å; T343-E346 WeakPolarHBondContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.36Å; T343-E346 PolarHBondContact N-OE2 3.34Å; T343-E346 PolarHBondContact O-N 3.43Å; T343-E346 WeakPolarHBondContact OG1-CB 3.45Å; T343-E346 WeakPolarHBondContact OG1-CG 3.41Å; T343-E346 PolarHBondContact OG1-N 3.04Å; T343-E346 PolarHBondContact OG1-OE2 2.97Å; T343-Y347 PolarHBondContact O-N 2.76Å
344	L	84.3	Confident	76.2	Confident	107 Å²	107	97.5 Å²	97.5	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-38.9	179.6	-170.9	69	0	0	0	111.7	P302 H348	P302-L344 HydrophobicContact CG-CB 4.35Å; P302-L344 HydrophobicContact CG-CD1 4.05Å; L344-H348 WeakPolarHBondContact CD1-NE2 3.26Å; L344-H348 PolarHBondContact O-CD2 2.79Å; L344-H348 PolarHBondContact O-N 3.22Å; L344-H348 VanDerWaalsContact O-N 3.1Å
345	A	85.9	Confident	78.3	Confident	75 Å²	75	95.9 Å²	95.9	62%	0.62	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-48.6	177.6	0	0	0	0	0	112.1	T343 Y347 H348 E349	T343-A345 PolarHBondContact O-N 3.29Å; A345-Y347 VanDerWaalsContact C-N 3.32Å; A345-Y347 PolarHBondContact O-N 3.12Å; A345-H348 PolarHBondContact O-N 3.07Å; A345-E349 WeakPolarHBondContact O-CB 3.44Å; A345-E349 PolarHBondContact O-N 3.21Å
346	E	86.1	Confident	80.6	Confident	89 Å²	89	92.1 Å²	92.1	42%	0.416	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-35.8	178.9	-68	163.3	143.7	0	0	112.3	L342 T343 Q350	L342-E346 HydrophobicContact CB-CB 4.39Å; L342-E346 HydrophobicContact CD2-CB 3.98Å; T343-E346 WeakPolarHBondContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.36Å; T343-E346 PolarHBondContact N-OE2 3.34Å; T343-E346 PolarHBondContact O-N 3.43Å; T343-E346 WeakPolarHBondContact OG1-CB 3.45Å; T343-E346 WeakPolarHBondContact OG1-CG 3.41Å; T343-E346 PolarHBondContact OG1-N 3.04Å; T343-E346 PolarHBondContact OG1-OE2 2.97Å; E346-Q350 WeakPolarHBondContact O-CB 3.5Å; E346-Q350 WeakPolarHBondContact O-CG 3.44Å; E346-Q350 PolarHBondContact O-N 3.19Å
347	Y	87.5	Confident	82.9	Confident	18 Å²	18	93.2 Å²	93.2	7%	0.071	48%	0.479	C	S	.	.	H	α-helix	trans	-64.3	-47.9	175.2	179.8	-87.2	0	0	0	111.6	L297 K301 T343 A345 E349 Q350 E351	L297-Y347 HydrophobicContact CD1-CD2 3.93Å; L297-Y347 HydrophobicContact CD1-CE2 4.27Å; L297-Y347 HydrophobicContact CD2-CD2 4.48Å; L297-Y347 HydrophobicContact CD2-CE2 4.32Å; L297-Y347 HydrophobicContact CG-CD2 3.91Å; L297-Y347 HydrophobicContact CG-CE2 3.75Å; L297-Y347 WeakPolarHBondContact O-CE2 3.48Å; K301-Y347 HydrophobicContact CB-CD2 4.31Å; K301-Y347 HydrophobicContact CB-CE2 3.72Å; K301-Y347 HydrophobicContact CG-CD2 4.49Å; K301-Y347 HydrophobicContact CG-CE1 4.35Å; K301-Y347 HydrophobicContact CG-CE2 3.98Å; T343-Y347 PolarHBondContact O-N 2.76Å; A345-Y347 VanDerWaalsContact C-N 3.32Å; A345-Y347 PolarHBondContact O-N 3.12Å; Y347-E349 VanDerWaalsContact C-N 3.33Å; Y347-E349 PolarHBondContact O-N 2.74Å; Y347-Q350 PolarHBondContact O-N 3.07Å; Y347-E351 WeakPolarHBondContact O-CB 3.26Å; Y347-E351 PolarHBondContact O-N 2.72Å
348	H	87.7	Confident	84.9	Confident	106 Å²	106	90.3 Å²	90.3	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-39.8	179.4	-78.7	-136.5	0	0	0	111.4	L344 A345 E351 E352	L344-H348 WeakPolarHBondContact CD1-NE2 3.26Å; L344-H348 PolarHBondContact O-CD2 2.79Å; L344-H348 PolarHBondContact O-N 3.22Å; L344-H348 VanDerWaalsContact O-N 3.1Å; A345-H348 PolarHBondContact O-N 3.07Å; H348-E351 PolarHBondContact O-N 3.34Å; H348-E352 PolarHBondContact O-N 3.01Å
349	E	91.1	Very high	86.7	Confident	124 Å²	124	84.7 Å²	84.7	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-49.7	175.1	-174.2	-175.6	167.8	0	0	111.5	A345 Y347 E351 E352 I353	A345-E349 WeakPolarHBondContact O-CB 3.44Å; A345-E349 PolarHBondContact O-N 3.21Å; Y347-E349 VanDerWaalsContact C-N 3.33Å; Y347-E349 PolarHBondContact O-N 2.74Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.78Å; E349-E352 PolarHBondContact O-N 2.93Å; E349-I353 HydrophobicContact CG-CD1 4.08Å; E349-I353 VanDerWaalsContact O-CG1 3.28Å; E349-I353 WeakPolarHBondContact O-CG1 3.23Å; E349-I353 PolarHBondContact O-N 3.13Å
350	Q	88.9	Confident	88.3	Confident	82 Å²	82	86.6 Å²	86.6	38%	0.383	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-40.5	176.9	-72	-97.1	-35.9	0	0	112.2	L297 E346 Y347 I353 F354	L297-Q350 HydrophobicContact CD1-CB 3.78Å; L297-Q350 HydrophobicContact CD1-CG 4.23Å; L297-Q350 HydrophobicContact CD2-CB 3.7Å; L297-Q350 HydrophobicContact CG-CB 4.41Å; E346-Q350 WeakPolarHBondContact O-CB 3.5Å; E346-Q350 WeakPolarHBondContact O-CG 3.44Å; E346-Q350 PolarHBondContact O-N 3.19Å; Y347-Q350 PolarHBondContact O-N 3.07Å; Q350-I353 PolarHBondContact O-N 3.12Å; Q350-F354 HydrophobicContact CB-CE2 4.41Å; Q350-F354 WeakPolarHBondContact O-CD2 3.06Å; Q350-F354 WeakPolarHBondContact O-CG 3.48Å; Q350-F354 PolarHBondContact O-N 3.08Å
351	E	90.8	Very high	89.6	Confident	78 Å²	78	79.1 Å²	79.1	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-45.1	177.4	-176.3	171	-141.8	0	0	111.9	L297 Y347 H348 E349 F354 K355	L297-E351 HydrophobicContact CD2-CB 4.33Å; Y347-E351 WeakPolarHBondContact O-CB 3.26Å; Y347-E351 PolarHBondContact O-N 2.72Å; H348-E351 PolarHBondContact O-N 3.34Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.78Å; E351-F354 PolarHBondContact O-N 3.32Å; E351-K355 WeakPolarHBondContact O-CB 3.42Å; E351-K355 PolarHBondContact O-N 3.05Å
352	E	93.1	Very high	90.6	Very high	91 Å²	91	81.4 Å²	81.4	43%	0.425	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-39.9	178.1	-168.8	64.2	-167.8	0	0	111.4	H348 E349 F354 K355 L356	H348-E352 PolarHBondContact O-N 3.01Å; E349-E352 PolarHBondContact O-N 2.93Å; E352-F354 PolarHBondContact O-N 3.44Å; E352-K355 PolarHBondContact O-N 3.41Å; E352-K355 IonicContact OE2-NZ 3.6Å; E352-L356 HydrophobicContact CG-CD1 4.35Å; E352-L356 WeakPolarHBondContact O-CB 3.37Å; E352-L356 WeakPolarHBondContact O-CG 3.28Å; E352-L356 PolarHBondContact O-N 3.36Å
353	I	93.5	Very high	91.3	Very high	59 Å²	59	85.6 Å²	85.6	30%	0.303	43%	0.425	S	S	.	.	H	α-helix	trans	-57.9	-48.9	173.6	-69.7	165.8	0	0	0	110.9	E349 Q350 K355 L356 R357	E349-I353 HydrophobicContact CG-CD1 4.08Å; E349-I353 VanDerWaalsContact O-CG1 3.28Å; E349-I353 WeakPolarHBondContact O-CG1 3.23Å; E349-I353 PolarHBondContact O-N 3.13Å; Q350-I353 PolarHBondContact O-N 3.12Å; I353-K355 VanDerWaalsContact C-N 3.33Å; I353-K355 PolarHBondContact O-N 2.97Å; I353-L356 PolarHBondContact O-N 2.93Å; I353-R357 WeakPolarHBondContact O-CG 3.46Å; I353-R357 PolarHBondContact O-N 3.32Å
354	F	93.7	Very high	91.8	Very high	11 Å²	11	84.9 Å²	84.9	5%	0.048	42%	0.417	C	S	.	.	H	α-helix	trans	-65.6	-37.9	179.9	-69.2	-45.8	0	0	0	112.4	I290 Q293 R294 L297 Q350 E351 E352 R357 L358	I290-F354 HydrophobicContact CG2-CB 4.15Å; I290-F354 HydrophobicContact CG2-CD1 3.99Å; I290-F354 HydrophobicContact CG2-CG 4.36Å; Q293-F354 HydrophobicContact CB-CE1 3.9Å; Q293-F354 HydrophobicContact CB-CE2 4.32Å; Q293-F354 HydrophobicContact CB-CZ 3.68Å; R294-F354 HydrophobicContact CG-CB 3.71Å; R294-F354 HydrophobicContact CG-CD2 3.75Å; R294-F354 HydrophobicContact CG-CG 3.8Å; L297-F354 HydrophobicContact CB-CE2 4.35Å; L297-F354 HydrophobicContact CD2-CD2 3.92Å; L297-F354 HydrophobicContact CD2-CE2 3.9Å; Q350-F354 HydrophobicContact CB-CE2 4.41Å; Q350-F354 WeakPolarHBondContact O-CD2 3.06Å; Q350-F354 WeakPolarHBondContact O-CG 3.48Å; Q350-F354 PolarHBondContact O-N 3.08Å; E351-F354 PolarHBondContact O-N 3.32Å; E352-F354 PolarHBondContact O-N 3.44Å; F354-R357 PolarHBondContact O-N 3.23Å; F354-L358 WeakPolarHBondContact O-CB 3.45Å; F354-L358 PolarHBondContact O-N 3.23Å
355	K	94.1	Very high	92.3	Very high	131 Å²	131	82.6 Å²	82.6	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-63.5	-44.6	176.4	-176.2	-178	169.2	-160.4	0	111.8	E351 E352 I353 L358 G359	E351-K355 WeakPolarHBondContact O-CB 3.42Å; E351-K355 PolarHBondContact O-N 3.05Å; E352-K355 PolarHBondContact O-N 3.41Å; E352-K355 IonicContact OE2-NZ 3.6Å; I353-K355 VanDerWaalsContact C-N 3.33Å; I353-K355 PolarHBondContact O-N 2.97Å; K355-L358 PolarHBondContact O-N 3.24Å; K355-G359 PolarHBondContact O-N 3.05Å
356	L	94.7	Very high	92.7	Very high	114 Å²	114	82 Å²	82	60%	0.597	40%	0.398	S	S	*	.	H	α-helix	trans	-63.1	-44.6	175.8	-72.8	172.3	0	0	0	111.8	E352 I353 L358 G359 H360	E352-L356 HydrophobicContact CG-CD1 4.35Å; E352-L356 WeakPolarHBondContact O-CB 3.37Å; E352-L356 WeakPolarHBondContact O-CG 3.28Å; E352-L356 PolarHBondContact O-N 3.36Å; I353-L356 PolarHBondContact O-N 2.93Å; L356-L358 PolarHBondContact O-N 3.34Å; L356-G359 PolarHBondContact O-N 3.18Å; L356-H360 PolarHBondContact O-N 3.05Å
357	R	95.1	Very high	93.1	Very high	134 Å²	134	82.6 Å²	82.6	51%	0.506	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-42.7	176.6	-72.1	179.1	178.6	-170.2	0.4	112.4	I290 I353 F354 G359 H360 L361	I290-R357 HydrophobicContact CD1-CB 3.73Å; I353-R357 WeakPolarHBondContact O-CG 3.46Å; I353-R357 PolarHBondContact O-N 3.32Å; F354-R357 PolarHBondContact O-N 3.23Å; R357-G359 VanDerWaalsContact C-N 3.32Å; R357-G359 PolarHBondContact O-N 3.36Å; R357-H360 WeakPolarHBondContact O-CB 3.5Å; R357-H360 PolarHBondContact O-N 3.22Å; R357-L361 PolarHBondContact O-N 3.47Å
358	L	93	Very high	93.4	Very high	52 Å²	52	82.5 Å²	82.5	27%	0.272	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-38	176.4	-170.9	66.8	0	0	0	111.7	R287 F354 K355 L356 H360 L361 K362	R287-L358 HydrophobicContact CG-CD1 3.83Å; F354-L358 WeakPolarHBondContact O-CB 3.45Å; F354-L358 PolarHBondContact O-N 3.23Å; K355-L358 PolarHBondContact O-N 3.24Å; L356-L358 PolarHBondContact O-N 3.34Å; L358-H360 VanDerWaalsContact C-N 3.34Å; L358-L361 PolarHBondContact O-N 2.99Å; L358-K362 WeakPolarHBondContact O-CB 3.44Å; L358-K362 PolarHBondContact O-N 3.12Å
359	G	94.3	Very high	93.7	Very high	43 Å²	43	81.7 Å²	81.7	44%	0.443	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-41.2	172.5	0	0	0	0	0	112.8	K355 L356 R357 K362 K363	K355-G359 PolarHBondContact O-N 3.05Å; L356-G359 PolarHBondContact O-N 3.18Å; R357-G359 VanDerWaalsContact C-N 3.32Å; R357-G359 PolarHBondContact O-N 3.36Å; G359-K362 PolarHBondContact O-N 3.09Å; G359-K363 PolarHBondContact O-N 3.03Å
360	H	94.9	Very high	93.8	Very high	110 Å²	110	78.6 Å²	78.6	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-49.7	175.4	-178	57.4	0	0	0	112.2	L356 R357 L358 K362 K363 E364	L356-H360 PolarHBondContact O-N 3.05Å; R357-H360 WeakPolarHBondContact O-CB 3.5Å; R357-H360 PolarHBondContact O-N 3.22Å; L358-H360 VanDerWaalsContact C-N 3.34Å; H360-K362 VanDerWaalsContact C-N 3.26Å; H360-K362 PolarHBondContact O-N 3.11Å; H360-K363 WeakPolarHBondContact O-CA 3.19Å; H360-K363 WeakPolarHBondContact O-CB 3.38Å; H360-K363 PolarHBondContact O-N 2.94Å; H360-E364 IonicContact CE1-OE1 3.65Å; H360-E364 IonicContact NE2-OE1 3.23Å; H360-E364 PolarHBondContact NE2-OE1 3.31Å; H360-E364 PolarHBondContact O-N 2.91Å
361	L	94.4	Very high	94	Very high	16 Å²	16	77.8 Å²	77.8	8%	0.084	39%	0.39	C	S	.	.	H	α-helix	trans	-58.5	-37.5	176.4	-71	179.3	0	0	0	112.4	I283 Q286 R287 I290 R357 L358 K363 E364 E365	I283-L361 HydrophobicContact CG2-CB 4.4Å; I283-L361 HydrophobicContact CG2-CD2 4.33Å; Q286-L361 HydrophobicContact CB-CD1 3.9Å; Q286-L361 HydrophobicContact CB-CD2 4.13Å; R287-L361 HydrophobicContact CB-CD1 4.16Å; I290-L361 HydrophobicContact CD1-CD1 3.64Å; R357-L361 PolarHBondContact O-N 3.47Å; L358-L361 PolarHBondContact O-N 2.99Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 3.16Å; L361-E364 PolarHBondContact O-N 3.13Å; L361-E365 WeakPolarHBondContact O-CB 3.5Å; L361-E365 PolarHBondContact O-N 3.26Å
362	K	95.2	Very high	94.1	Very high	153 Å²	153	76.4 Å²	76.4	67%	0.665	38%	0.384	S	S	*	.	H	α-helix	trans	-64.6	-33.7	175.8	-173.7	176.4	-178.8	178.8	0	112.4	L358 G359 H360 A366	L358-K362 WeakPolarHBondContact O-CB 3.44Å; L358-K362 PolarHBondContact O-N 3.12Å; G359-K362 PolarHBondContact O-N 3.09Å; H360-K362 VanDerWaalsContact C-N 3.26Å; H360-K362 PolarHBondContact O-N 3.11Å; K362-A366 PolarHBondContact O-N 3.11Å
363	K	95	Very high	94.1	Very high	126 Å²	126	74.9 Å²	74.9	55%	0.548	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-46.3	174.8	-168.3	-167.2	176.7	-124.6	0	110.5	G359 H360 L361 E365 A366 E367	G359-K363 PolarHBondContact O-N 3.03Å; H360-K363 WeakPolarHBondContact O-CA 3.19Å; H360-K363 WeakPolarHBondContact O-CB 3.38Å; H360-K363 PolarHBondContact O-N 2.94Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 3.16Å; K363-E365 VanDerWaalsContact C-N 3.34Å; K363-E365 PolarHBondContact O-N 3Å; K363-A366 WeakPolarHBondContact O-CB 3.46Å; K363-A366 PolarHBondContact O-N 3.08Å; K363-A366 VanDerWaalsContact O-N 3.17Å; K363-E367 WeakPolarHBondContact CE-OE1 3.41Å; K363-E367 IonicContact NZ-OE1 2.69Å; K363-E367 PolarHBondContact NZ-OE1 2.83Å; K363-E367 WeakPolarHBondContact O-CG 3.21Å; K363-E367 PolarHBondContact O-N 2.84Å
364	E	94.4	Very high	94	Very high	64 Å²	64	76.7 Å²	76.7	30%	0.299	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.1	-66.8	-173.6	152.6	0	0	111.9	I283 H360 L361 A366 E367 I368	I283-E364 HydrophobicContact CD1-CB 3.51Å; H360-E364 IonicContact CE1-OE1 3.65Å; H360-E364 IonicContact NE2-OE1 3.23Å; H360-E364 PolarHBondContact NE2-OE1 3.31Å; H360-E364 PolarHBondContact O-N 2.91Å; L361-E364 PolarHBondContact O-N 3.13Å; E364-A366 VanDerWaalsContact C-N 3.3Å; E364-A366 PolarHBondContact O-N 3.13Å; E364-E367 WeakPolarHBondContact O-CB 3.45Å; E364-E367 PolarHBondContact O-N 2.9Å; E364-E367 VanDerWaalsContact O-N 3.11Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.95Å
365	E	94	Very high	93.9	Very high	59 Å²	59	76.3 Å²	76.3	28%	0.276	38%	0.379	S	S	.	.	H	α-helix	trans	-59.5	-40.3	174.1	-176	169.1	-146.4	0	0	111.7	Q280 I283 R287 L361 K363 Q369	Q280-E365 PolarHBondContact NE2-OE1 2.74Å; I283-E365 HydrophobicContact CG2-CB 4.37Å; R287-E365 IonicContact NH1-OE1 2.69Å; R287-E365 PolarHBondContact NH1-OE1 3.03Å; R287-E365 IonicContact NH1-OE2 2.74Å; R287-E365 PolarHBondContact NH1-OE2 3.09Å; L361-E365 WeakPolarHBondContact O-CB 3.5Å; L361-E365 PolarHBondContact O-N 3.26Å; K363-E365 VanDerWaalsContact C-N 3.34Å; K363-E365 PolarHBondContact O-N 3Å; E365-Q369 WeakPolarHBondContact O-CB 3.5Å; E365-Q369 PolarHBondContact O-N 2.89Å
366	A	94.8	Very high	93.8	Very high	61 Å²	61	73.6 Å²	73.6	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-67.5	-36.1	174.6	0	0	0	0	0	112.6	K362 K363 E364 A370	K362-A366 PolarHBondContact O-N 3.11Å; K363-A366 WeakPolarHBondContact O-CB 3.46Å; K363-A366 PolarHBondContact O-N 3.08Å; K363-A366 VanDerWaalsContact O-N 3.17Å; E364-A366 VanDerWaalsContact C-N 3.3Å; E364-A366 PolarHBondContact O-N 3.13Å; A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 2.84Å
367	E	94.8	Very high	93.6	Very high	102 Å²	102	71.8 Å²	71.8	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-44.3	175.5	-70.4	173	-168.1	0	0	111.2	K363 E364 A370 E371	K363-E367 WeakPolarHBondContact CE-OE1 3.41Å; K363-E367 IonicContact NZ-OE1 2.69Å; K363-E367 PolarHBondContact NZ-OE1 2.83Å; K363-E367 WeakPolarHBondContact O-CG 3.21Å; K363-E367 PolarHBondContact O-N 2.84Å; E364-E367 WeakPolarHBondContact O-CB 3.45Å; E364-E367 PolarHBondContact O-N 2.9Å; E364-E367 VanDerWaalsContact O-N 3.11Å; E367-A370 PolarHBondContact O-N 3.28Å; E367-E371 PolarHBondContact O-N 3.14Å
368	I	94.1	Very high	93.4	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.087	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-45.7	173.4	-69.1	-178	0	0	0	110.9	L276 Q279 Q280 I283 E364 A370 E371 L372	L276-I368 HydrophobicContact CD2-CG2 4.39Å; Q279-I368 HydrophobicContact CB-CD1 3.59Å; Q280-I368 HydrophobicContact CB-CG2 4.43Å; I283-I368 HydrophobicContact CD1-CD1 3.42Å; I283-I368 VanDerWaalsContact CD1-CD1 3.42Å; I283-I368 HydrophobicContact CD1-CG1 4.34Å; I283-I368 HydrophobicContact CG1-CD1 4.3Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.95Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 3.16Å; I368-E371 PolarHBondContact O-N 3.38Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 PolarHBondContact O-N 2.88Å
369	Q	93.7	Very high	93.4	Very high	89 Å²	89	66.7 Å²	66.7	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-40.4	179.7	-174.1	59.7	48.1	0	0	111.6	E365 L372 E373	E365-Q369 WeakPolarHBondContact O-CB 3.5Å; E365-Q369 PolarHBondContact O-N 2.89Å; Q369-L372 PolarHBondContact O-N 2.91Å; Q369-E373 WeakPolarHBondContact O-CG 3.2Å; Q369-E373 PolarHBondContact O-N 2.82Å
370	A	93.1	Very high	93.3	Very high	58 Å²	58	68.4 Å²	68.4	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-40.3	176.1	0	0	0	0	0	112.2	A366 E367 I368 E373 R374	A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 2.84Å; E367-A370 PolarHBondContact O-N 3.28Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 3.16Å; A370-E373 PolarHBondContact O-N 3.27Å; A370-R374 PolarHBondContact O-N 3.25Å; A370-R374 VanDerWaalsContact O-N 3.07Å
371	E	93.8	Very high	93.1	Very high	66 Å²	66	66 Å²	66	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-69.4	-38	176.8	-176.8	55.4	-159.9	0	0	112.1	L276 E367 I368 R374 L375	L276-E371 HydrophobicContact CD1-CB 4.42Å; L276-E371 HydrophobicContact CD1-CG 4.07Å; L276-E371 HydrophobicContact CD2-CB 4.34Å; L276-E371 HydrophobicContact CD2-CG 3.94Å; E367-E371 PolarHBondContact O-N 3.14Å; I368-E371 PolarHBondContact O-N 3.38Å; E371-R374 VanDerWaalsContact CD-NE 3.31Å; E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 3.48Å; E371-R374 VanDerWaalsContact O-N 3.17Å; E371-R374 IonicContact OE1-CZ 3.65Å; E371-R374 VanDerWaalsContact OE1-CZ 3.28Å; E371-R374 IonicContact OE1-NE 3.75Å; E371-R374 PolarHBondContact OE1-NE 3.24Å; E371-R374 VanDerWaalsContact OE1-NE 3.11Å; E371-R374 IonicContact OE1-NH2 3.67Å; E371-R374 PolarHBondContact OE1-NH2 3.09Å; E371-R374 WeakPolarHBondContact OE2-CD 3.39Å; E371-R374 IonicContact OE2-CZ 3.2Å; E371-R374 IonicContact OE2-NE 3.13Å; E371-R374 PolarHBondContact OE2-NE 2.84Å; E371-R374 IonicContact OE2-NH2 2.92Å; E371-L375 PolarHBondContact O-N 3.4Å
372	L	93.5	Very high	93	Very high	48 Å²	48	65.6 Å²	65.6	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-50.6	173	-179	64.7	0	0	0	110.5	F273 L276 I368 Q369 R374 L375 E376	F273-L372 HydrophobicContact CD1-CD1 3.8Å; F273-L372 HydrophobicContact CE1-CD1 3.85Å; L276-L372 HydrophobicContact CD1-CB 3.97Å; L276-L372 HydrophobicContact CD1-CD1 4.14Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 PolarHBondContact O-N 2.88Å; Q369-L372 PolarHBondContact O-N 2.91Å; L372-R374 PolarHBondContact O-N 3.26Å; L372-L375 PolarHBondContact O-N 3.28Å; L372-L375 VanDerWaalsContact O-N 3.13Å; L372-E376 WeakPolarHBondContact O-CG 3.45Å; L372-E376 PolarHBondContact O-N 2.72Å
373	E	91.3	Very high	92.9	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-58.1	-36.9	176.4	-71.1	-165	171.7	0	0	112.3	Q369 A370 R377 K505	Q369-E373 WeakPolarHBondContact O-CG 3.2Å; Q369-E373 PolarHBondContact O-N 2.82Å; A370-E373 PolarHBondContact O-N 3.27Å; E373-R377 WeakPolarHBondContact O-CG 3.21Å; E373-R377 PolarHBondContact O-N 3.25Å; E373-R377 IonicContact OE2-NH2 2.94Å; E373-R377 PolarHBondContact OE2-NH2 3.15Å; E373-R377 VanDerWaalsContact OE2-NH2 3.11Å; E373-K505 IonicContact OE1-NZ 3.67Å; E373-K505 PolarHBondContact OE1-NZ 2.69Å; E373-K505 IonicContact OE2-NZ 3.62Å; E373-K505 PolarHBondContact OE2-NZ 3.11Å
374	R	91.5	Very high	92.7	Very high	97 Å²	97	56.2 Å²	56.2	37%	0.366	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-46.4	176.2	-166.9	-165.4	72.5	85.1	-2.8	111.4	A370 E371 L372 E376 R377 V378	A370-R374 PolarHBondContact O-N 3.25Å; A370-R374 VanDerWaalsContact O-N 3.07Å; E371-R374 VanDerWaalsContact CD-NE 3.31Å; E371-R374 WeakPolarHBondContact O-CB 3.46Å; E371-R374 PolarHBondContact O-N 3.48Å; E371-R374 VanDerWaalsContact O-N 3.17Å; E371-R374 IonicContact OE1-CZ 3.65Å; E371-R374 VanDerWaalsContact OE1-CZ 3.28Å; E371-R374 IonicContact OE1-NE 3.75Å; E371-R374 PolarHBondContact OE1-NE 3.24Å; E371-R374 VanDerWaalsContact OE1-NE 3.11Å; E371-R374 IonicContact OE1-NH2 3.67Å; E371-R374 PolarHBondContact OE1-NH2 3.09Å; E371-R374 WeakPolarHBondContact OE2-CD 3.39Å; E371-R374 IonicContact OE2-CZ 3.2Å; E371-R374 IonicContact OE2-NE 3.13Å; E371-R374 PolarHBondContact OE2-NE 2.84Å; E371-R374 IonicContact OE2-NH2 2.92Å; L372-R374 PolarHBondContact O-N 3.26Å; R374-E376 VanDerWaalsContact C-N 3.32Å; R374-E376 PolarHBondContact O-N 2.95Å; R374-R377 PolarHBondContact O-N 3.16Å; R374-V378 WeakPolarHBondContact O-CG2 3.43Å; R374-V378 PolarHBondContact O-N 2.95Å
375	L	92.7	Very high	92.6	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-38.8	176.2	-73.7	-175	0	0	0	111.9	L251 A272 F273 L276 E371 L372 R377 V378 R379	L251-L375 HydrophobicContact CD2-CD2 4.25Å; A272-L375 HydrophobicContact CB-CD1 3.77Å; A272-L375 HydrophobicContact CB-CD2 4.22Å; F273-L375 HydrophobicContact CE1-CB 3.91Å; F273-L375 HydrophobicContact CE2-CB 4.05Å; F273-L375 HydrophobicContact CZ-CB 3.61Å; L276-L375 HydrophobicContact CD1-CD1 3.51Å; L276-L375 HydrophobicContact CD1-CG 4.38Å; L276-L375 HydrophobicContact CG-CD1 4.16Å; E371-L375 PolarHBondContact O-N 3.4Å; L372-L375 PolarHBondContact O-N 3.28Å; L372-L375 VanDerWaalsContact O-N 3.13Å; L375-R377 VanDerWaalsContact C-N 3.34Å; L375-R377 PolarHBondContact O-N 3.25Å; L375-V378 PolarHBondContact O-N 3.14Å; L375-R379 WeakPolarHBondContact O-CB 3.47Å; L375-R379 PolarHBondContact O-N 2.99Å
376	E	91.6	Very high	92.5	Very high	74 Å²	74	55.1 Å²	55.1	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-40.9	176.3	-71.9	-166	138.6	0	0	112.6	F273 L372 R374 R379 N380	F273-E376 HydrophobicContact CE1-CG 3.95Å; F273-E376 HydrophobicContact CZ-CG 4.35Å; L372-E376 WeakPolarHBondContact O-CG 3.45Å; L372-E376 PolarHBondContact O-N 2.72Å; R374-E376 VanDerWaalsContact C-N 3.32Å; R374-E376 PolarHBondContact O-N 2.95Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-NH2 2.93Å; E376-R379 PolarHBondContact OE1-NH2 3.44Å; E376-N380 WeakPolarHBondContact O-CB 3.36Å; E376-N380 PolarHBondContact O-N 3.49Å; E376-N380 PolarHBondContact O-ND2 3.27Å
377	R	90	Very high	92.4	Very high	75 Å²	75	55.2 Å²	55.2	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-48.9	173.8	-68.5	171.8	-162.5	111.2	10	111.2	E373 R374 L375 R379 N380 L381 Q503	E373-R377 WeakPolarHBondContact O-CG 3.21Å; E373-R377 PolarHBondContact O-N 3.25Å; E373-R377 IonicContact OE2-NH2 2.94Å; E373-R377 PolarHBondContact OE2-NH2 3.15Å; E373-R377 VanDerWaalsContact OE2-NH2 3.11Å; R374-R377 PolarHBondContact O-N 3.16Å; L375-R377 VanDerWaalsContact C-N 3.34Å; L375-R377 PolarHBondContact O-N 3.25Å; R377-R379 PolarHBondContact O-N 3.46Å; R377-N380 PolarHBondContact O-N 3.46Å; R377-L381 PolarHBondContact O-N 2.93Å; R377-L381 VanDerWaalsContact O-N 3.11Å; R377-Q503 WeakPolarHBondContact CD-O 3.28Å; R377-Q503 PolarHBondContact NE-O 2.98Å
378	V	92.3	Very high	92.4	Very high	36 Å²	36	52.2 Å²	52.2	22%	0.218	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-38.9	-179.8	-175.8	0	0	0	0	111.1	L251 R374 L375 N380 L381 H382	L251-V378 HydrophobicContact CD1-CG1 3.72Å; L251-V378 HydrophobicContact CD2-CG1 4.28Å; R374-V378 WeakPolarHBondContact O-CG2 3.43Å; R374-V378 PolarHBondContact O-N 2.95Å; L375-V378 PolarHBondContact O-N 3.14Å; V378-N380 PolarHBondContact O-N 2.92Å; V378-L381 WeakPolarHBondContact O-CB 3.48Å; V378-L381 PolarHBondContact O-N 2.93Å; V378-H382 PolarHBondContact O-N 3.2Å
379	R	93	Very high	92.4	Very high	43 Å²	43	52.2 Å²	52.2	16%	0.162	25%	0.25	C	C	.	.	H	α-helix	trans	-58.8	-45.7	172.7	179.8	-177.2	65	-169.6	-3.9	111.4	W267 D269 F273 L375 E376 R377 L381 H382 I383	W267-R379 HydrophobicContact CH2-CG 4.36Å; W267-R379 HydrophobicContact CZ2-CG 3.65Å; D269-R379 IonicContact OD1-NH1 2.79Å; F273-R379 HydrophobicContact CE2-CB 3.99Å; F273-R379 HydrophobicContact CE2-CG 4.32Å; F273-R379 HydrophobicContact CZ-CB 3.87Å; F273-R379 HydrophobicContact CZ-CG 4.37Å; L375-R379 WeakPolarHBondContact O-CB 3.47Å; L375-R379 PolarHBondContact O-N 2.99Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-NH2 2.93Å; E376-R379 PolarHBondContact OE1-NH2 3.44Å; R377-R379 PolarHBondContact O-N 3.46Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.38Å; R379-H382 PolarHBondContact O-N 3.3Å; R379-H382 VanDerWaalsContact O-N 3.16Å; R379-I383 HydrophobicContact CG-CD1 3.83Å; R379-I383 HydrophobicContact CG-CG1 4.39Å; R379-I383 WeakPolarHBondContact O-CG1 3.29Å; R379-I383 PolarHBondContact O-N 3.42Å
380	N	90.6	Very high	92.3	Very high	80 Å²	80	53.1 Å²	53.1	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-37.3	179	-71	-22.7	0	0	0	112.2	E376 R377 V378 R384	E376-N380 WeakPolarHBondContact O-CB 3.36Å; E376-N380 PolarHBondContact O-N 3.49Å; E376-N380 PolarHBondContact O-ND2 3.27Å; R377-N380 PolarHBondContact O-N 3.46Å; V378-N380 PolarHBondContact O-N 2.92Å; N380-R384 WeakPolarHBondContact O-CB 3.47Å; N380-R384 PolarHBondContact O-N 3.44Å; N380-R384 VanDerWaalsContact O-N 3.08Å
381	L	91.1	Very high	92.4	Very high	59 Å²	59	52.3 Å²	52.3	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-46.5	171.7	-68.9	177.7	0	0	0	111.6	R377 V378 R379 R384 E385 F499 Q503	R377-L381 PolarHBondContact O-N 2.93Å; R377-L381 VanDerWaalsContact O-N 3.11Å; V378-L381 WeakPolarHBondContact O-CB 3.48Å; V378-L381 PolarHBondContact O-N 2.93Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.38Å; L381-R384 WeakPolarHBondContact O-CB 3.41Å; L381-R384 PolarHBondContact O-N 3.22Å; L381-E385 PolarHBondContact O-N 3.15Å; L381-F499 HydrophobicContact CD2-CE1 4.08Å; L381-F499 HydrophobicContact CD2-CE2 3.64Å; L381-F499 HydrophobicContact CD2-CZ 3.18Å; L381-Q503 VanDerWaalsContact CD2-CD 3.44Å; L381-Q503 HydrophobicContact CD2-CG 4.15Å
382	H	93.1	Very high	92.4	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-46	179	179.7	48.9	0	0	0	112	S244 L251 W267 V378 R379 R384 E385 L386	S244-H382 PolarHBondContact O-CE1 3.02Å; L251-H382 HydrophobicContact CD1-CB 3.7Å; W267-H382 AromaticContact CH2-CD2 3.93Å; V378-H382 PolarHBondContact O-N 3.2Å; R379-H382 PolarHBondContact O-N 3.3Å; R379-H382 VanDerWaalsContact O-N 3.16Å; H382-R384 VanDerWaalsContact C-N 3.3Å; H382-R384 PolarHBondContact O-N 2.95Å; H382-E385 PolarHBondContact O-N 3.09Å; H382-L386 WeakPolarHBondContact O-CG 3.21Å; H382-L386 PolarHBondContact O-N 3.46Å
383	I	92.1	Very high	92.4	Very high	25 Å²	25	50.2 Å²	50.2	13%	0.128	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-43.4	175	-71.5	168.4	0	0	0	111.2	F254 W267 R379 E385 L386 K387	F254-I383 HydrophobicContact CE2-CG1 4.31Å; F254-I383 HydrophobicContact CE2-CG2 4.11Å; F254-I383 HydrophobicContact CZ-CG1 4.37Å; F254-I383 HydrophobicContact CZ-CG2 4.03Å; W267-I383 HydrophobicContact CD2-CD1 4.17Å; W267-I383 HydrophobicContact CE3-CD1 3.92Å; W267-I383 HydrophobicContact CE3-CG1 3.85Å; W267-I383 HydrophobicContact CH2-CD1 4.08Å; W267-I383 HydrophobicContact CH2-CG1 3.54Å; W267-I383 HydrophobicContact CZ2-CD1 4.31Å; W267-I383 HydrophobicContact CZ2-CG1 4.24Å; W267-I383 HydrophobicContact CZ3-CD1 3.89Å; W267-I383 HydrophobicContact CZ3-CG1 3.33Å; R379-I383 HydrophobicContact CG-CD1 3.83Å; R379-I383 HydrophobicContact CG-CG1 4.39Å; R379-I383 WeakPolarHBondContact O-CG1 3.29Å; R379-I383 PolarHBondContact O-N 3.42Å; I383-E385 VanDerWaalsContact C-N 3.34Å; I383-L386 PolarHBondContact O-N 3.35Å; I383-K387 HydrophobicContact CG2-CD 4.43Å; I383-K387 WeakPolarHBondContact O-CG 3.12Å; I383-K387 PolarHBondContact O-N 2.92Å; I383-K387 VanDerWaalsContact O-N 3.08Å
384	R	90.3	Very high	92.5	Very high	57 Å²	57	50.5 Å²	50.5	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-42.6	178.7	-168.4	-179	-146.7	145.5	-3.1	111.2	F51 N380 L381 H382 K387 R388	F51-R384 HydrophobicContact CE1-CG 4.24Å; F51-R384 HydrophobicContact CZ-CG 4.22Å; N380-R384 WeakPolarHBondContact O-CB 3.47Å; N380-R384 PolarHBondContact O-N 3.44Å; N380-R384 VanDerWaalsContact O-N 3.08Å; L381-R384 WeakPolarHBondContact O-CB 3.41Å; L381-R384 PolarHBondContact O-N 3.22Å; H382-R384 VanDerWaalsContact C-N 3.3Å; H382-R384 PolarHBondContact O-N 2.95Å; R384-K387 WeakPolarHBondContact O-CB 3.28Å; R384-K387 PolarHBondContact O-N 2.99Å; R384-R388 PolarHBondContact O-N 3.47Å
385	E	92.4	Very high	92.6	Very high	47 Å²	47	46.1 Å²	46.1	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-41.7	178.9	-171.4	54.4	-151.5	0	0	112.1	C240 L381 H382 I383 K387 R388 I389	C240-E385 WeakPolarHBondContact SG-CG 3.36Å; C240-E385 PolarHBondContact SG-OE1 3Å; L381-E385 PolarHBondContact O-N 3.15Å; H382-E385 PolarHBondContact O-N 3.09Å; I383-E385 VanDerWaalsContact C-N 3.34Å; E385-K387 VanDerWaalsContact C-N 3.28Å; E385-K387 PolarHBondContact O-N 2.93Å; E385-R388 WeakPolarHBondContact O-CB 3.25Å; E385-R388 PolarHBondContact O-N 3.2Å; E385-R388 VanDerWaalsContact O-N 3.09Å; E385-R388 IonicContact OE1-CZ 3.56Å; E385-R388 IonicContact OE1-NE 3.41Å; E385-R388 PolarHBondContact OE1-NE 3.02Å; E385-R388 IonicContact OE1-NH2 2.75Å; E385-R388 PolarHBondContact OE1-NH2 2.98Å; E385-R388 IonicContact OE2-NE 2.8Å; E385-R388 PolarHBondContact OE2-NE 3.17Å; E385-I389 HydrophobicContact CG-CD1 4.08Å; E385-I389 WeakPolarHBondContact O-CG1 3.47Å; E385-I389 PolarHBondContact O-N 3.07Å
386	L	93.1	Very high	92.7	Very high	52 Å²	52	52.1 Å²	52.1	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-56	-43.7	172	-72.3	176.1	0	0	0	111.7	W267 H382 I383 N390	W267-L386 HydrophobicContact CZ3-CD1 4.35Å; H382-L386 WeakPolarHBondContact O-CG 3.21Å; H382-L386 PolarHBondContact O-N 3.46Å; I383-L386 PolarHBondContact O-N 3.35Å; L386-N390 WeakPolarHBondContact O-CB 3.36Å; L386-N390 PolarHBondContact O-N 2.88Å
387	K	92.6	Very high	92.8	Very high	64 Å²	64	49.5 Å²	49.5	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-40.6	175.5	-72.5	179.6	178.7	-170.5	0	112.2	F51 I383 R384 E385 N391	F51-K387 HydrophobicContact CE2-CD 3.87Å; F51-K387 HydrophobicContact CZ-CD 4.19Å; I383-K387 HydrophobicContact CG2-CD 4.43Å; I383-K387 WeakPolarHBondContact O-CG 3.12Å; I383-K387 PolarHBondContact O-N 2.92Å; I383-K387 VanDerWaalsContact O-N 3.08Å; R384-K387 WeakPolarHBondContact O-CB 3.28Å; R384-K387 PolarHBondContact O-N 2.99Å; E385-K387 VanDerWaalsContact C-N 3.28Å; E385-K387 PolarHBondContact O-N 2.93Å; K387-N391 WeakPolarHBondContact O-CB 3.44Å; K387-N391 VanDerWaalsContact O-CG 3.22Å; K387-N391 PolarHBondContact O-N 3.15Å; K387-N391 PolarHBondContact O-ND2 3.16Å; K387-N391 VanDerWaalsContact O-ND2 3.17Å
388	R	93.9	Very high	92.9	Very high	39 Å²	39	49.9 Å²	49.9	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-47.7	177.2	-166.7	-159.3	68.5	67.3	11	111.1	R384 E385 N391 E392 L412	R384-R388 PolarHBondContact O-N 3.47Å; E385-R388 WeakPolarHBondContact O-CB 3.25Å; E385-R388 PolarHBondContact O-N 3.2Å; E385-R388 VanDerWaalsContact O-N 3.09Å; E385-R388 IonicContact OE1-CZ 3.56Å; E385-R388 IonicContact OE1-NE 3.41Å; E385-R388 PolarHBondContact OE1-NE 3.02Å; E385-R388 IonicContact OE1-NH2 2.75Å; E385-R388 PolarHBondContact OE1-NH2 2.98Å; E385-R388 IonicContact OE2-NE 2.8Å; E385-R388 PolarHBondContact OE2-NE 3.17Å; R388-N391 PolarHBondContact O-N 3.05Å; R388-E392 IonicContact CZ-OE2 3.2Å; R388-E392 IonicContact NH1-OE1 3.74Å; R388-E392 IonicContact NH1-OE2 3.34Å; R388-E392 PolarHBondContact NH1-OE2 2.77Å; R388-E392 IonicContact NH2-OE2 3.67Å; R388-E392 WeakPolarHBondContact O-CB 3.36Å; R388-E392 PolarHBondContact O-N 3.23Å; R388-L412 WeakPolarHBondContact CD-O 3.49Å; R388-L412 PolarHBondContact NH1-O 3.36Å
389	I	93.9	Very high	93	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-48.7	176.8	-67	166.8	0	0	0	110.3	R241 E385 N391 E392 D393	R241-I389 HydrophobicContact CG-CD1 4.26Å; R241-I389 HydrophobicContact CG-CG2 4.43Å; E385-I389 HydrophobicContact CG-CD1 4.08Å; E385-I389 WeakPolarHBondContact O-CG1 3.47Å; E385-I389 PolarHBondContact O-N 3.07Å; I389-N391 VanDerWaalsContact C-N 3.32Å; I389-N391 PolarHBondContact O-N 3Å; I389-E392 WeakPolarHBondContact O-CB 3.45Å; I389-E392 PolarHBondContact O-N 3.31Å; I389-D393 VanDerWaalsContact O-CG 3.31Å; I389-D393 PolarHBondContact O-N 3.19Å
390	N	93.1	Very high	93.1	Very high	107 Å²	107	53.4 Å²	53.4	57%	0.572	27%	0.268	S	S	*	.	H	α-helix	trans	-60.2	-41.9	178	-177.1	69.4	0	0	0	112.3	L386 D393 S394	L386-N390 WeakPolarHBondContact O-CB 3.36Å; L386-N390 PolarHBondContact O-N 2.88Å; N390-D393 PolarHBondContact O-N 3.32Å; N390-S394 WeakPolarHBondContact O-CB 3.21Å; N390-S394 PolarHBondContact O-N 3.48Å; N390-S394 PolarHBondContact O-OG 3.38Å
391	N	94.6	Very high	93.4	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-43	175.6	-77.4	-31.6	0	0	0	111.9	K387 R388 I389 S394 S395 L412 R415	K387-N391 WeakPolarHBondContact O-CB 3.44Å; K387-N391 VanDerWaalsContact O-CG 3.22Å; K387-N391 PolarHBondContact O-N 3.15Å; K387-N391 PolarHBondContact O-ND2 3.16Å; K387-N391 VanDerWaalsContact O-ND2 3.17Å; R388-N391 PolarHBondContact O-N 3.05Å; I389-N391 VanDerWaalsContact C-N 3.32Å; I389-N391 PolarHBondContact O-N 3Å; N391-S394 PolarHBondContact O-N 2.81Å; N391-S394 PolarHBondContact O-OG 2.87Å; N391-S395 PolarHBondContact O-N 3.28Å; N391-S395 VanDerWaalsContact O-N 3.12Å; N391-L412 HydrophobicContact CB-CD2 3.59Å; N391-R415 HydrophobicContact CB-CB 4.29Å; N391-R415 WeakPolarHBondContact OD1-CD 3.43Å; N391-R415 PolarHBondContact OD1-NH1 3.45Å
392	E	94.5	Very high	93.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.5	-177.5	164.7	-126.3	0	0	111.3	K237 R388 I389 S394 S395 K398 H411 L412	K237-E392 WeakPolarHBondContact CE-OE1 3.41Å; K237-E392 IonicContact NZ-OE1 3.7Å; R388-E392 IonicContact CZ-OE2 3.2Å; R388-E392 IonicContact NH1-OE1 3.74Å; R388-E392 IonicContact NH1-OE2 3.34Å; R388-E392 PolarHBondContact NH1-OE2 2.77Å; R388-E392 IonicContact NH2-OE2 3.67Å; R388-E392 WeakPolarHBondContact O-CB 3.36Å; R388-E392 PolarHBondContact O-N 3.23Å; I389-E392 WeakPolarHBondContact O-CB 3.45Å; I389-E392 PolarHBondContact O-N 3.31Å; E392-S394 PolarHBondContact O-N 2.76Å; E392-S395 WeakPolarHBondContact O-CB 3.3Å; E392-S395 PolarHBondContact O-N 3.4Å; E392-S395 VanDerWaalsContact O-N 3.09Å; E392-K398 WeakPolarHBondContact O-CB 3.46Å; E392-H411 WeakPolarHBondContact OE1-CA 3.28Å; E392-H411 VanDerWaalsContact OE1-CB 3.31Å; E392-H411 WeakPolarHBondContact OE1-CB 3.5Å; E392-L412 HydrophobicContact CB-CB 3.86Å; E392-L412 HydrophobicContact CB-CD2 4.05Å; E392-L412 HydrophobicContact CG-CB 4.05Å; E392-L412 PolarHBondContact OE1-N 3.49Å
393	D	93.6	Very high	93.8	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-30.5	179.6	-68.4	-20.7	0	0	0	112.5	R241 I389 N390 K398	R241-D393 IonicContact CZ-OD1 3.6Å; R241-D393 IonicContact NH2-OD1 3.71Å; R241-D393 PolarHBondContact NH2-OD1 2.95Å; I389-D393 VanDerWaalsContact O-CG 3.31Å; I389-D393 PolarHBondContact O-N 3.19Å; N390-D393 PolarHBondContact O-N 3.32Å; D393-K398 WeakPolarHBondContact O-CD 3.47Å; D393-K398 PolarHBondContact O-NZ 3.03Å; D393-K398 VanDerWaalsContact O-NZ 3.11Å
394	S	93.4	Very high	94	Very high	66 Å²	66	54.2 Å²	54.2	46%	0.462	28%	0.278	S	S	.	.	H	α-helix	trans	-81	-13.9	176.3	78.3	0	0	0	0	114.4	N390 N391 E392 R415	N390-S394 WeakPolarHBondContact O-CB 3.21Å; N390-S394 PolarHBondContact O-N 3.48Å; N390-S394 PolarHBondContact O-OG 3.38Å; N391-S394 PolarHBondContact O-N 2.81Å; N391-S394 PolarHBondContact O-OG 2.87Å; E392-S394 PolarHBondContact O-N 2.76Å; S394-R415 PolarHBondContact OG-NH1 3.23Å
395	S	93.6	Very high	94.2	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.035	31%	0.308	C	S	.	.	S	Bend	trans	-81.4	144.3	-176.5	178.5	0	0	0	0	111.4	N391 E392 F397 E420 Y422	N391-S395 PolarHBondContact O-N 3.28Å; N391-S395 VanDerWaalsContact O-N 3.12Å; E392-S395 WeakPolarHBondContact O-CB 3.3Å; E392-S395 PolarHBondContact O-N 3.4Å; E392-S395 VanDerWaalsContact O-N 3.09Å; S395-F397 PolarHBondContact O-N 2.72Å; S395-F397 PolarHBondContact OG-N 3.26Å; S395-E420 WeakPolarHBondContact CB-OE2 3.49Å; S395-E420 PolarHBondContact OG-OE2 2.66Å; S395-Y422 WeakPolarHBondContact CB-OH 3.47Å; S395-Y422 PolarHBondContact OG-OH 3.26Å
396	Q	92.9	Very high	94.3	Very high	130 Å²	130	60.3 Å²	60.3	61%	0.607	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.5	172.6	67	-176.8	-8.1	0	0	113.3
397	F	94	Very high	94.6	Very high	19 Å²	19	57.9 Å²	57.9	8%	0.083	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	13.4	-175.6	-57.9	-71.3	0	0	0	114	S395 D399 P401 L403 L409 Y422 I437 L480	S395-F397 PolarHBondContact O-N 2.72Å; S395-F397 PolarHBondContact OG-N 3.26Å; F397-D399 VanDerWaalsContact C-N 3.34Å; F397-D399 PolarHBondContact O-N 3.2Å; F397-P401 HydrophobicContact CB-CG 4.19Å; F397-P401 HydrophobicContact CD1-CG 4.05Å; F397-P401 WeakPolarHBondContact O-CD 3.49Å; F397-L403 HydrophobicContact CD1-CD2 4.5Å; F397-L403 HydrophobicContact CE1-CD2 4.41Å; F397-L409 HydrophobicContact CB-CD1 3.9Å; F397-L409 HydrophobicContact CD1-CD1 4.39Å; F397-L409 HydrophobicContact CG-CD1 4.33Å; F397-Y422 HydrophobicContact CB-CE1 4.47Å; F397-Y422 HydrophobicContact CB-CE2 3.94Å; F397-Y422 HydrophobicContact CD2-CE2 4.42Å; F397-I437 HydrophobicContact CB-CD1 4.47Å; F397-I437 HydrophobicContact CD1-CD1 4.18Å; F397-I437 HydrophobicContact CD2-CD1 3.59Å; F397-I437 HydrophobicContact CE1-CD1 4.3Å; F397-I437 HydrophobicContact CE2-CB 4.49Å; F397-I437 HydrophobicContact CE2-CD1 3.72Å; F397-I437 HydrophobicContact CE2-CG2 3.75Å; F397-I437 HydrophobicContact CG-CD1 3.83Å; F397-I437 HydrophobicContact CZ-CD1 4.08Å; F397-I437 HydrophobicContact CZ-CG2 3.91Å; F397-L480 HydrophobicContact CE1-CD1 4.1Å; F397-L480 HydrophobicContact CZ-CD1 4.13Å
398	K	92.3	Very high	94.9	Very high	83 Å²	83	54.8 Å²	54.8	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.1	-171.9	68.5	-174.5	175.1	-176.2	0	115.4	K237 E392 D393 H400	K237-K398 PolarHBondContact NZ-O 2.96Å; K237-K398 VanDerWaalsContact NZ-O 3.08Å; E392-K398 WeakPolarHBondContact O-CB 3.46Å; D393-K398 WeakPolarHBondContact O-CD 3.47Å; D393-K398 PolarHBondContact O-NZ 3.03Å; D393-K398 VanDerWaalsContact O-NZ 3.11Å; K398-H400 VanDerWaalsContact C-N 3.29Å; K398-H400 PolarHBondContact O-N 2.71Å
399	D	94.4	Very high	95.1	Very high	129 Å²	129	53 Å²	53	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	37.3	-171.7	-60.6	-47.6	0	0	0	113.1	F397	F397-D399 VanDerWaalsContact C-N 3.34Å; F397-D399 PolarHBondContact O-N 3.2Å
400	H	95.1	Very high	95.2	Very high	24 Å²	24	52.6 Å²	52.6	11%	0.111	27%	0.271	C	S	.	.			trans	54.6	46.2	174.2	-54.8	-78.1	0	0	0	116.1	I230 S233 K237 K398 L408 L409 L410	I230-H400 HydrophobicContact CD1-CB 4.29Å; I230-H400 HydrophobicContact CG1-CB 3.96Å; S233-H400 PolarHBondContact OG-CE1 3.01Å; S233-H400 VanDerWaalsContact OG-CE1 3.26Å; K237-H400 PolarHBondContact NZ-CE1 3.48Å; K237-H400 PolarHBondContact NZ-NE2 3.07Å; K398-H400 VanDerWaalsContact C-N 3.29Å; K398-H400 PolarHBondContact O-N 2.71Å; H400-L408 HydrophobicContact CB-CD1 4.41Å; H400-L408 WeakPolarHBondContact O-CD1 3.44Å; H400-L409 VanDerWaalsContact CA-O 3.31Å; H400-L409 WeakPolarHBondContact CA-O 3.33Å; H400-L409 WeakPolarHBondContact CB-O 3.11Å; H400-L409 PolarHBondContact ND1-O 3.47Å; H400-L409 VanDerWaalsContact ND1-O 3.07Å; H400-L410 PolarHBondContact CE1-O 2.85Å; H400-L410 PolarHBondContact ND1-O 3.47Å
401	P	96.8	Very high	95.3	Very high	42 Å²	42	49 Å²	49	27%	0.273	25%	0.251	S	S	.	.			trans	-63.7	147.3	178.3	28.9	-34.3	0	0	0	111	F397 L403 L409	F397-P401 HydrophobicContact CB-CG 4.19Å; F397-P401 HydrophobicContact CD1-CG 4.05Å; F397-P401 WeakPolarHBondContact O-CD 3.49Å; P401-L403 HydrophobicContact CB-CD2 4.38Å; P401-L403 HydrophobicContact CG-CD2 4.46Å; P401-L409 HydrophobicContact CG-CB 4.48Å; P401-L409 HydrophobicContact CG-CD1 3.94Å; P401-L409 HydrophobicContact CG-CG 4.35Å; P401-L409 PolarHBondContact O-N 2.91Å
402	T	96.9	Very high	95.4	Very high	48 Å²	48	47.1 Å²	47.1	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.3	168	-55.8	0	0	0	0	108.6	Y407 L427	T402-Y407 CarbonylContact C-O 3.22Å; T402-Y407 WeakPolarHBondContact CA-O 3.47Å; T402-L427 HydrophobicContact CG2-CD1 3.85Å
403	L	96.8	Very high	95.3	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.5	177.6	-56	-172.9	0	0	0	111.1	F397 P401 E405 R406 Y407 L409 V435 I437 F478 L480	F397-L403 HydrophobicContact CD1-CD2 4.5Å; F397-L403 HydrophobicContact CE1-CD2 4.41Å; P401-L403 HydrophobicContact CB-CD2 4.38Å; P401-L403 HydrophobicContact CG-CD2 4.46Å; L403-E405 PolarHBondContact O-N 3.1Å; L403-R406 PolarHBondContact O-N 3.24Å; L403-Y407 PolarHBondContact N-O 2.74Å; L403-Y407 PolarHBondContact O-N 2.83Å; L403-L409 HydrophobicContact CD1-CD1 3.91Å; L403-L409 HydrophobicContact CD1-CD2 4.13Å; L403-L409 HydrophobicContact CD1-CG 4.19Å; L403-L409 HydrophobicContact CG-CD1 4.16Å; L403-L409 HydrophobicContact CG-CD2 4.39Å; L403-L409 HydrophobicContact CG-CG 4.14Å; L403-V435 HydrophobicContact CD1-CG1 4.26Å; L403-I437 HydrophobicContact CD1-CD1 4.1Å; L403-I437 HydrophobicContact CD1-CG1 4.47Å; L403-F478 HydrophobicContact CB-CE2 3.98Å; L403-F478 HydrophobicContact CB-CZ 3.85Å; L403-F478 HydrophobicContact CD1-CZ 4.4Å; L403-L480 HydrophobicContact CD1-CD1 4.2Å; L403-L480 HydrophobicContact CD2-CD1 4.21Å; L403-L480 HydrophobicContact CD2-CD2 4.14Å
404	N	95.9	Very high	95.2	Very high	86 Å²	86	48.2 Å²	48.2	46%	0.46	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	32.3	-179	-159.4	28.8	0	0	0	113.3	R406 Y407 F478	N404-R406 WeakPolarHBondContact O-CB 3.47Å; N404-R406 PolarHBondContact O-N 3.28Å; N404-Y407 HydrophobicContact CB-CD2 4.14Å; N404-Y407 HydrophobicContact CB-CE2 4.33Å; N404-F478 HydrophobicContact CB-CD1 4.02Å; N404-F478 HydrophobicContact CB-CD2 3.94Å; N404-F478 HydrophobicContact CB-CE1 4.01Å; N404-F478 HydrophobicContact CB-CE2 3.94Å; N404-F478 HydrophobicContact CB-CG 3.99Å; N404-F478 HydrophobicContact CB-CZ 3.97Å
405	E	93.9	Very high	95	Very high	183 Å²	183	50.7 Å²	50.7	86%	0.855	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	10	-174.9	-57.1	-174.7	168.1	0	0	115.8	L403	L403-E405 PolarHBondContact O-N 3.1Å
406	R	96	Very high	94.5	Very high	48 Å²	48	51.9 Å²	51.9	18%	0.181	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-38.3	-166.9	176	177.9	179.6	173.2	-1.8	113.8	L403 N404 D426 L427 I428 E429	L403-R406 PolarHBondContact O-N 3.24Å; N404-R406 WeakPolarHBondContact O-CB 3.47Å; N404-R406 PolarHBondContact O-N 3.28Å; R406-D426 VanDerWaalsContact CG-OD1 3.31Å; R406-D426 WeakPolarHBondContact CG-OD1 3.44Å; R406-D426 IonicContact CZ-OD1 3.78Å; R406-D426 IonicContact CZ-OD2 3.86Å; R406-D426 VanDerWaalsContact NE-CG 3.28Å; R406-D426 IonicContact NE-OD1 3.01Å; R406-D426 PolarHBondContact NE-OD1 3.37Å; R406-D426 IonicContact NE-OD2 3.6Å; R406-D426 PolarHBondContact NE-OD2 3.08Å; R406-D426 VanDerWaalsContact NE-OD2 3.1Å; R406-D426 IonicContact NH2-OD1 3.56Å; R406-D426 IonicContact NH2-OD2 2.76Å; R406-D426 PolarHBondContact NH2-OD2 3.49Å; R406-L427 WeakPolarHBondContact O-CB 3.28Å; R406-L427 VanDerWaalsContact O-CD1 3.29Å; R406-L427 WeakPolarHBondContact O-CD1 3.42Å; R406-L427 VanDerWaalsContact O-CG 3.23Å; R406-L427 WeakPolarHBondContact O-CG 2.96Å; R406-L427 PolarHBondContact O-N 3.32Å; R406-I428 HydrophobicContact CB-CD1 4.32Å; R406-I428 HydrophobicContact CG-CB 4.36Å; R406-I428 HydrophobicContact CG-CD1 3.9Å; R406-I428 HydrophobicContact CG-CG1 3.96Å; R406-E429 IonicContact NH2-OE1 3.42Å
407	Y	98.2	Very high	93.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.2	-171.1	-55.4	-68.5	0	0	0	110.3	T402 L403 N404 L409 D426 D476 F478 V488	T402-Y407 CarbonylContact C-O 3.22Å; T402-Y407 WeakPolarHBondContact CA-O 3.47Å; L403-Y407 PolarHBondContact N-O 2.74Å; L403-Y407 PolarHBondContact O-N 2.83Å; N404-Y407 HydrophobicContact CB-CD2 4.14Å; N404-Y407 HydrophobicContact CB-CE2 4.33Å; Y407-L409 PolarHBondContact O-N 2.69Å; Y407-D426 HydrophobicContact CD1-CB 4.14Å; Y407-D426 HydrophobicContact CE1-CB 4.11Å; Y407-D476 HydrophobicContact CE2-CB 4.47Å; Y407-D476 WeakPolarHBondContact CE2-OD2 3.23Å; Y407-D476 WeakPolarHBondContact OH-CB 3.44Å; Y407-D476 VanDerWaalsContact OH-CG 3.27Å; Y407-D476 PolarHBondContact OH-OD2 2.69Å; Y407-F478 HydrophobicContact CD2-CD1 4.45Å; Y407-F478 AromaticContact CD2-CE1 3.5Å; Y407-F478 HydrophobicContact CD2-CE1 3.5Å; Y407-F478 AromaticContact CD2-CZ 3.91Å; Y407-F478 HydrophobicContact CD2-CZ 3.91Å; Y407-F478 HydrophobicContact CE2-CD1 4.09Å; Y407-F478 AromaticContact CE2-CE1 3.51Å; Y407-F478 HydrophobicContact CE2-CE1 3.51Å; Y407-F478 HydrophobicContact CE2-CZ 4.36Å; Y407-V488 HydrophobicContact CD1-CG1 4.15Å; Y407-V488 HydrophobicContact CD1-CG2 4.49Å; Y407-V488 HydrophobicContact CD2-CG2 4.14Å; Y407-V488 HydrophobicContact CE1-CG1 3.8Å; Y407-V488 HydrophobicContact CE1-CG2 4.23Å; Y407-V488 HydrophobicContact CE2-CG2 3.84Å; Y407-V488 HydrophobicContact CG-CG2 4.45Å
408	L	98.2	Very high	93.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.9	175.5	175.2	65.8	0	0	0	109.8	K226 L229 I230 H400 L410 A424 F425 L427	K226-L408 HydrophobicContact CB-CD2 4.31Å; K226-L408 HydrophobicContact CG-CD2 4.24Å; L229-L408 HydrophobicContact CB-CD2 3.88Å; L229-L408 HydrophobicContact CD1-CD2 4.11Å; I230-L408 HydrophobicContact CD1-CD1 4.2Å; I230-L408 HydrophobicContact CG1-CD1 4.22Å; I230-L408 HydrophobicContact CG1-CD2 4.21Å; H400-L408 HydrophobicContact CB-CD1 4.41Å; H400-L408 WeakPolarHBondContact O-CD1 3.44Å; L408-L410 HydrophobicContact CD2-CD2 4.15Å; L408-L410 HydrophobicContact CG-CD2 4.18Å; L408-A424 CarbonylContact O-C 3.57Å; L408-A424 WeakPolarHBondContact O-CA 3.09Å; L408-A424 WeakPolarHBondContact O-CB 3.44Å; L408-F425 PolarHBondContact N-O 3.29Å; L408-F425 PolarHBondContact O-N 2.94Å; L408-L427 HydrophobicContact CB-CD1 4.3Å; L408-L427 HydrophobicContact CB-CD2 4.42Å; L408-L427 HydrophobicContact CB-CG 4.4Å
409	L	98.2	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.5	175.7	-58.9	-167.5	0	0	0	111.4	F397 H400 P401 L403 Y407 Y422 A424 V435 I437	F397-L409 HydrophobicContact CB-CD1 3.9Å; F397-L409 HydrophobicContact CD1-CD1 4.39Å; F397-L409 HydrophobicContact CG-CD1 4.33Å; H400-L409 VanDerWaalsContact CA-O 3.31Å; H400-L409 WeakPolarHBondContact CA-O 3.33Å; H400-L409 WeakPolarHBondContact CB-O 3.11Å; H400-L409 PolarHBondContact ND1-O 3.47Å; H400-L409 VanDerWaalsContact ND1-O 3.07Å; P401-L409 HydrophobicContact CG-CB 4.48Å; P401-L409 HydrophobicContact CG-CD1 3.94Å; P401-L409 HydrophobicContact CG-CG 4.35Å; P401-L409 PolarHBondContact O-N 2.91Å; L403-L409 HydrophobicContact CD1-CD1 3.91Å; L403-L409 HydrophobicContact CD1-CD2 4.13Å; L403-L409 HydrophobicContact CD1-CG 4.19Å; L403-L409 HydrophobicContact CG-CD1 4.16Å; L403-L409 HydrophobicContact CG-CD2 4.39Å; L403-L409 HydrophobicContact CG-CG 4.14Å; Y407-L409 PolarHBondContact O-N 2.69Å; L409-Y422 HydrophobicContact CB-CD1 4.39Å; L409-Y422 HydrophobicContact CD1-CD1 4.34Å; L409-Y422 HydrophobicContact CD1-CD2 4.28Å; L409-Y422 HydrophobicContact CD1-CG 4.07Å; L409-A424 HydrophobicContact CD2-CB 3.78Å; L409-V435 HydrophobicContact CD2-CB 4.02Å; L409-V435 HydrophobicContact CD2-CG1 4.32Å; L409-V435 HydrophobicContact CD2-CG2 4.08Å; L409-I437 HydrophobicContact CD1-CD1 3.96Å
410	L	97.1	Very high	93.2	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-77	-177.9	-58	178.8	0	0	0	110.7	L229 S233 K237 H400 L408 K423 F425 Y432	L229-L410 HydrophobicContact CB-CD2 4.16Å; S233-L410 PolarHBondContact OG-O 3.16Å; K237-L410 VanDerWaalsContact CE-O 3.24Å; K237-L410 WeakPolarHBondContact CE-O 3.35Å; K237-L410 PolarHBondContact NZ-O 3.06Å; H400-L410 PolarHBondContact CE1-O 2.85Å; H400-L410 PolarHBondContact ND1-O 3.47Å; L408-L410 HydrophobicContact CD2-CD2 4.15Å; L408-L410 HydrophobicContact CG-CD2 4.18Å; L410-K423 WeakPolarHBondContact CA-O 3.32Å; L410-K423 WeakPolarHBondContact CB-O 3.45Å; L410-K423 HydrophobicContact CD1-CG 4.38Å; L410-K423 PolarHBondContact N-O 3.19Å; L410-F425 HydrophobicContact CD1-CB 4.46Å; L410-Y432 HydrophobicContact CD1-CD1 4.04Å; L410-Y432 HydrophobicContact CD1-CE1 3.64Å
411	H	95	Very high	93.2	Very high	33 Å²	33	41 Å²	41	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.7	-179.1	65.8	79	0	0	0	111.1	E392 L413 Y422 K423	E392-H411 WeakPolarHBondContact OE1-CA 3.28Å; E392-H411 VanDerWaalsContact OE1-CB 3.31Å; E392-H411 WeakPolarHBondContact OE1-CB 3.5Å; H411-L413 PolarHBondContact O-N 3.31Å; H411-Y422 VanDerWaalsContact C-CD1 3.47Å; H411-K423 VanDerWaalsContact NE2-CD 3.28Å; H411-K423 WeakPolarHBondContact NE2-CD 3.29Å; H411-K423 PolarHBondContact O-N 2.82Å
412	L	95.9	Very high	93.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.9	177.7	-173.5	72.4	0	0	0	109.4	R388 N391 E392 G414 E420 Y422	R388-L412 WeakPolarHBondContact CD-O 3.49Å; R388-L412 PolarHBondContact NH1-O 3.36Å; N391-L412 HydrophobicContact CB-CD2 3.59Å; E392-L412 HydrophobicContact CB-CB 3.86Å; E392-L412 HydrophobicContact CB-CD2 4.05Å; E392-L412 HydrophobicContact CG-CB 4.05Å; E392-L412 PolarHBondContact OE1-N 3.49Å; L412-G414 WeakPolarHBondContact CD1-O 3.24Å; L412-E420 HydrophobicContact CD1-CB 3.99Å; L412-E420 HydrophobicContact CD1-CG 4.4Å; L412-Y422 HydrophobicContact CB-CD1 4.38Å; L412-Y422 HydrophobicContact CB-CE1 3.92Å; L412-Y422 HydrophobicContact CD1-CD2 3.95Å; L412-Y422 HydrophobicContact CD1-CE1 4.19Å; L412-Y422 HydrophobicContact CD1-CE2 3.53Å; L412-Y422 HydrophobicContact CD1-CG 4.45Å
413	L	93.1	Very high	93.2	Very high	65 Å²	65	38 Å²	38	34%	0.34	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-41.2	171.6	-64.7	172.9	0	0	0	110.9	H411 V421 K423 A434 Y491	H411-L413 PolarHBondContact O-N 3.31Å; L413-V421 WeakPolarHBondContact CA-O 3.43Å; L413-V421 HydrophobicContact CB-CG1 4.49Å; L413-V421 WeakPolarHBondContact CB-O 3.38Å; L413-V421 HydrophobicContact CD1-CG1 4.25Å; L413-V421 PolarHBondContact N-O 3.36Å; L413-K423 HydrophobicContact CD1-CB 4.11Å; L413-K423 HydrophobicContact CD2-CB 4.11Å; L413-K423 HydrophobicContact CG-CB 4.07Å; L413-A434 HydrophobicContact CD1-CB 4.49Å; L413-Y491 HydrophobicContact CD1-CD2 4.1Å; L413-Y491 HydrophobicContact CD1-CE2 3.9Å; L413-Y491 HydrophobicContact CD2-CE2 4.15Å
414	G	91.3	Very high	93.3	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	162.4	179.6	0	0	0	0	0	113.2	L412 V421	L412-G414 WeakPolarHBondContact CD1-O 3.24Å; G414-V421 PolarHBondContact N-O 3.18Å; G414-V421 PolarHBondContact O-N 3.01Å
415	R	90.3	Very high	93.4	Very high	118 Å²	118	34.8 Å²	34.8	45%	0.445	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	176.9	-175.7	175.8	-167	177.2	13.4	109.3	N391 S394 E420	N391-R415 HydrophobicContact CB-CB 4.29Å; N391-R415 WeakPolarHBondContact OD1-CD 3.43Å; N391-R415 PolarHBondContact OD1-NH1 3.45Å; S394-R415 PolarHBondContact OG-NH1 3.23Å; R415-E420 HydrophobicContact CB-CG 4.44Å; R415-E420 HydrophobicContact CG-CG 3.94Å; R415-E420 IonicContact CZ-OE1 2.87Å; R415-E420 IonicContact NE-OE1 3.56Å; R415-E420 PolarHBondContact NE-OE1 3.46Å; R415-E420 IonicContact NH2-OE1 3.75Å
416	G	82.3	Confident	93.6	Very high	30 Å²	30	26.1 Å²	26.1	31%	0.309	15%	0.148	S	C	.	.			trans	-96.9	-172.6	169.8	0	0	0	0	0	111.6	F418 S419	G416-F418 PolarHBondContact O-N 3.33Å; G416-S419 PolarHBondContact N-O 3.13Å
417	G	79.1	Confident	93.6	Very high	52 Å²	52	24.2 Å²	24.2	54%	0.536	14%	0.142	S	C	.	.	S	Bend	trans	-63.1	-39.4	-178.7	0	0	0	0	0	114.1
418	F	82.4	Confident	93.4	Very high	54 Å²	54	29.6 Å²	29.6	24%	0.237	17%	0.169	C	C	.	.	S	Bend	trans	-129.1	15	-176.9	-52.5	-72.7	0	0	0	112.8	G416 Q439 W444	G416-F418 PolarHBondContact O-N 3.33Å; F418-Q439 PolarHBondContact O-N 3.48Å; F418-W444 HydrophobicContact CD1-CH2 4.16Å; F418-W444 HydrophobicContact CD1-CZ2 4.24Å; F418-W444 AromaticContact CE1-CH2 3.91Å; F418-W444 HydrophobicContact CE1-CH2 3.91Å; F418-W444 AromaticContact CE1-CZ2 3.61Å; F418-W444 HydrophobicContact CE1-CZ2 3.61Å; F418-W444 HydrophobicContact CZ-CH2 4.19Å; F418-W444 AromaticContact CZ-CZ2 3.96Å; F418-W444 HydrophobicContact CZ-CZ2 3.96Å
419	S	89.7	Confident	93.3	Very high	11 Å²	11	34.7 Å²	34.7	8%	0.077	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.7	-178.4	55.3	0	0	0	0	113.6	G416 I437	G416-S419 PolarHBondContact N-O 3.13Å; S419-I437 CarbonylContact C-O 3.55Å; S419-I437 WeakPolarHBondContact CA-O 3.49Å; S419-I437 WeakPolarHBondContact CB-O 3.28Å
420	E	94.4	Very high	93.1	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.023	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.8	172.3	-70	176.6	174.9	0	0	108.5	S395 L412 R415 Y422 K436 I437	S395-E420 WeakPolarHBondContact CB-OE2 3.49Å; S395-E420 PolarHBondContact OG-OE2 2.66Å; L412-E420 HydrophobicContact CD1-CB 3.99Å; L412-E420 HydrophobicContact CD1-CG 4.4Å; R415-E420 HydrophobicContact CB-CG 4.44Å; R415-E420 HydrophobicContact CG-CG 3.94Å; R415-E420 IonicContact CZ-OE1 2.87Å; R415-E420 IonicContact NE-OE1 3.56Å; R415-E420 PolarHBondContact NE-OE1 3.46Å; R415-E420 IonicContact NH2-OE1 3.75Å; E420-Y422 HydrophobicContact CB-CD2 4.32Å; E420-Y422 HydrophobicContact CB-CE2 3.92Å; E420-K436 CarbonylContact O-C 3.52Å; E420-K436 WeakPolarHBondContact O-CA 3.28Å; E420-I437 PolarHBondContact N-O 2.88Å; E420-I437 PolarHBondContact O-N 3.3Å
421	V	95.3	Very high	93	Very high	36 Å²	36	44.4 Å²	44.4	22%	0.218	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	178.6	-171.1	0	0	0	0	108.7	L413 G414 A434 V435 K436	L413-V421 WeakPolarHBondContact CA-O 3.43Å; L413-V421 HydrophobicContact CB-CG1 4.49Å; L413-V421 WeakPolarHBondContact CB-O 3.38Å; L413-V421 HydrophobicContact CD1-CG1 4.25Å; L413-V421 PolarHBondContact N-O 3.36Å; G414-V421 PolarHBondContact N-O 3.18Å; G414-V421 PolarHBondContact O-N 3.01Å; V421-A434 HydrophobicContact CG1-CB 4.28Å; V421-V435 WeakPolarHBondContact CA-O 3.35Å; V421-K436 HydrophobicContact CG2-CB 4.09Å; V421-K436 HydrophobicContact CG2-CG 4.01Å
422	Y	97.6	Very high	93.2	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142	179.4	-81.9	-93.9	0	0	0	111.3	S395 F397 L409 H411 L412 E420 A434 V435 I437	S395-Y422 WeakPolarHBondContact CB-OH 3.47Å; S395-Y422 PolarHBondContact OG-OH 3.26Å; F397-Y422 HydrophobicContact CB-CE1 4.47Å; F397-Y422 HydrophobicContact CB-CE2 3.94Å; F397-Y422 HydrophobicContact CD2-CE2 4.42Å; L409-Y422 HydrophobicContact CB-CD1 4.39Å; L409-Y422 HydrophobicContact CD1-CD1 4.34Å; L409-Y422 HydrophobicContact CD1-CD2 4.28Å; L409-Y422 HydrophobicContact CD1-CG 4.07Å; H411-Y422 VanDerWaalsContact C-CD1 3.47Å; L412-Y422 HydrophobicContact CB-CD1 4.38Å; L412-Y422 HydrophobicContact CB-CE1 3.92Å; L412-Y422 HydrophobicContact CD1-CD2 3.95Å; L412-Y422 HydrophobicContact CD1-CE1 4.19Å; L412-Y422 HydrophobicContact CD1-CE2 3.53Å; L412-Y422 HydrophobicContact CD1-CG 4.45Å; E420-Y422 HydrophobicContact CB-CD2 4.32Å; E420-Y422 HydrophobicContact CB-CE2 3.92Å; Y422-A434 CarbonylContact O-C 3.6Å; Y422-A434 WeakPolarHBondContact O-CA 3.3Å; Y422-V435 PolarHBondContact N-O 3Å; Y422-V435 PolarHBondContact O-N 3.47Å; Y422-I437 HydrophobicContact CD2-CD1 3.87Å; Y422-I437 HydrophobicContact CE2-CD1 4.2Å
423	K	97.3	Very high	93.3	Very high	26 Å²	26	46.3 Å²	46.3	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.7	158.1	-171.4	178.3	-175.5	164.3	0	107.2	L410 H411 L413 Y432 Y491	L410-K423 WeakPolarHBondContact CA-O 3.32Å; L410-K423 WeakPolarHBondContact CB-O 3.45Å; L410-K423 HydrophobicContact CD1-CG 4.38Å; L410-K423 PolarHBondContact N-O 3.19Å; H411-K423 VanDerWaalsContact NE2-CD 3.28Å; H411-K423 WeakPolarHBondContact NE2-CD 3.29Å; H411-K423 PolarHBondContact O-N 2.82Å; L413-K423 HydrophobicContact CD1-CB 4.11Å; L413-K423 HydrophobicContact CD2-CB 4.11Å; L413-K423 HydrophobicContact CG-CB 4.07Å; K423-Y432 HydrophobicContact CD-CD1 4.49Å; K423-Y432 HydrophobicContact CG-CD1 4.4Å; K423-Y491 HydrophobicContact CD-CE1 4.12Å; K423-Y491 HydrophobicContact CD-CE2 4.14Å; K423-Y491 VanDerWaalsContact CE-CE1 3.42Å; K423-Y491 HydrophobicContact CG-CD2 4.34Å; K423-Y491 HydrophobicContact CG-CE1 4.46Å; K423-Y491 HydrophobicContact CG-CE2 4.07Å; K423-Y491 PolarHBondContact NZ-OH 3.34Å
424	A	98.3	Very high	93.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.4	178.6	0	0	0	0	0	110.7	L408 L409 Y432 A433 V435	L408-A424 CarbonylContact O-C 3.57Å; L408-A424 WeakPolarHBondContact O-CA 3.09Å; L408-A424 WeakPolarHBondContact O-CB 3.44Å; L409-A424 HydrophobicContact CD2-CB 3.78Å; A424-Y432 CarbonylContact O-C 3.47Å; A424-Y432 WeakPolarHBondContact O-CA 3.45Å; A424-A433 PolarHBondContact N-O 3.41Å; A424-A433 PolarHBondContact O-N 3.24Å; A424-V435 HydrophobicContact CB-CB 4.42Å; A424-V435 HydrophobicContact CB-CG2 3.48Å; A424-V435 VanDerWaalsContact CB-CG2 3.48Å
425	F	98.1	Very high	93.8	Very high	31 Å²	31	42.4 Å²	42.4	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124	170.3	-166.7	-96.1	0	0	0	109.5	L229 L408 L410 L427 Q430 Y432	L229-F425 HydrophobicContact CD1-CB 3.89Å; L229-F425 HydrophobicContact CD1-CD1 3.45Å; L229-F425 VanDerWaalsContact CD1-CD1 3.45Å; L229-F425 HydrophobicContact CD1-CD2 4.17Å; L229-F425 HydrophobicContact CD1-CE1 3.95Å; L229-F425 HydrophobicContact CD1-CG 3.56Å; L229-F425 HydrophobicContact CD2-CD2 4.34Å; L229-F425 HydrophobicContact CD2-CG 4.45Å; L408-F425 PolarHBondContact N-O 3.29Å; L408-F425 PolarHBondContact O-N 2.94Å; L410-F425 HydrophobicContact CD1-CB 4.46Å; F425-L427 HydrophobicContact CD1-CD2 4.12Å; F425-L427 PolarHBondContact O-N 2.92Å; F425-Q430 VanDerWaalsContact CZ-C 3.49Å; F425-Q430 HydrophobicContact CZ-CB 4.22Å; F425-Y432 AromaticContact CD2-CD1 3.81Å; F425-Y432 HydrophobicContact CD2-CD1 3.81Å; F425-Y432 AromaticContact CD2-CE1 3.79Å; F425-Y432 HydrophobicContact CD2-CE1 3.79Å; F425-Y432 HydrophobicContact CD2-CG 4.21Å
426	D	97.9	Very high	94	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.8	171.5	-175.2	-18.4	0	0	0	108.7	R406 Y407 I428 E429 Q430 R431	R406-D426 VanDerWaalsContact CG-OD1 3.31Å; R406-D426 WeakPolarHBondContact CG-OD1 3.44Å; R406-D426 IonicContact CZ-OD1 3.78Å; R406-D426 IonicContact CZ-OD2 3.86Å; R406-D426 VanDerWaalsContact NE-CG 3.28Å; R406-D426 IonicContact NE-OD1 3.01Å; R406-D426 PolarHBondContact NE-OD1 3.37Å; R406-D426 IonicContact NE-OD2 3.6Å; R406-D426 PolarHBondContact NE-OD2 3.08Å; R406-D426 VanDerWaalsContact NE-OD2 3.1Å; R406-D426 IonicContact NH2-OD1 3.56Å; R406-D426 IonicContact NH2-OD2 2.76Å; R406-D426 PolarHBondContact NH2-OD2 3.49Å; Y407-D426 HydrophobicContact CD1-CB 4.14Å; Y407-D426 HydrophobicContact CE1-CB 4.11Å; D426-I428 VanDerWaalsContact C-N 3.26Å; D426-I428 PolarHBondContact O-N 3.37Å; D426-I428 PolarHBondContact OD1-N 2.74Å; D426-E429 HydrophobicContact CB-CB 4.37Å; D426-E429 PolarHBondContact OD1-N 2.89Å; D426-E429 VanDerWaalsContact OD1-N 3.11Å; D426-E429 WeakPolarHBondContact OD2-CB 3.46Å; D426-E429 VanDerWaalsContact OD2-CG 3.25Å; D426-E429 WeakPolarHBondContact OD2-CG 3.2Å; D426-Q430 WeakPolarHBondContact O-CA 3.06Å; D426-Q430 PolarHBondContact O-N 2.79Å; D426-R431 HydrophobicContact CB-CG 4.22Å; D426-R431 PolarHBondContact N-O 2.95Å; D426-R431 PolarHBondContact O-N 2.81Å
427	L	95.7	Very high	94.6	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.4	-175.3	-63	160.1	0	0	0	113.2	I222 K226 T402 R406 L408 F425	I222-L427 HydrophobicContact CG2-CB 4.49Å; I222-L427 HydrophobicContact CG2-CD2 4.35Å; K226-L427 HydrophobicContact CD-CD1 4.28Å; K226-L427 HydrophobicContact CD-CD2 4.5Å; K226-L427 HydrophobicContact CG-CD1 4.22Å; K226-L427 HydrophobicContact CG-CD2 3.63Å; T402-L427 HydrophobicContact CG2-CD1 3.85Å; R406-L427 WeakPolarHBondContact O-CB 3.28Å; R406-L427 VanDerWaalsContact O-CD1 3.29Å; R406-L427 WeakPolarHBondContact O-CD1 3.42Å; R406-L427 VanDerWaalsContact O-CG 3.23Å; R406-L427 WeakPolarHBondContact O-CG 2.96Å; R406-L427 PolarHBondContact O-N 3.32Å; L408-L427 HydrophobicContact CB-CD1 4.3Å; L408-L427 HydrophobicContact CB-CD2 4.42Å; L408-L427 HydrophobicContact CB-CG 4.4Å; F425-L427 HydrophobicContact CD1-CD2 4.12Å; F425-L427 PolarHBondContact O-N 2.92Å
428	I	93.8	Very high	95.1	Very high	113 Å²	113	33.9 Å²	33.9	58%	0.579	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-53.8	179.3	-63	-178.7	0	0	0	109.3	R406 D426 Q430	R406-I428 HydrophobicContact CB-CD1 4.32Å; R406-I428 HydrophobicContact CG-CB 4.36Å; R406-I428 HydrophobicContact CG-CD1 3.9Å; R406-I428 HydrophobicContact CG-CG1 3.96Å; D426-I428 VanDerWaalsContact C-N 3.26Å; D426-I428 PolarHBondContact O-N 3.37Å; D426-I428 PolarHBondContact OD1-N 2.74Å; I428-Q430 VanDerWaalsContact C-N 3.29Å; I428-Q430 PolarHBondContact O-N 2.81Å
429	E	95.9	Very high	95.4	Very high	108 Å²	108	34 Å²	34	51%	0.505	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.6	-178.7	-58.2	-69	164.7	0	0	113.4	R406 D426 R431	R406-E429 IonicContact NH2-OE1 3.42Å; D426-E429 HydrophobicContact CB-CB 4.37Å; D426-E429 PolarHBondContact OD1-N 2.89Å; D426-E429 VanDerWaalsContact OD1-N 3.11Å; D426-E429 WeakPolarHBondContact OD2-CB 3.46Å; D426-E429 VanDerWaalsContact OD2-CG 3.25Å; D426-E429 WeakPolarHBondContact OD2-CG 3.2Å; E429-R431 HydrophobicContact CB-CG 4.04Å; E429-R431 PolarHBondContact O-N 2.87Å
430	Q	94.6	Very high	95.2	Very high	126 Å²	126	34.1 Å²	34.1	59%	0.589	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	46.8	178	-57	-170	-35.4	0	0	114	F425 D426 I428	F425-Q430 VanDerWaalsContact CZ-C 3.49Å; F425-Q430 HydrophobicContact CZ-CB 4.22Å; D426-Q430 WeakPolarHBondContact O-CA 3.06Å; D426-Q430 PolarHBondContact O-N 2.79Å; I428-Q430 VanDerWaalsContact C-N 3.29Å; I428-Q430 PolarHBondContact O-N 2.81Å
431	R	96.2	Very high	94.7	Very high	86 Å²	86	37.1 Å²	37.1	33%	0.325	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.8	-179.7	65.1	-176.2	176.9	-177	-3	112.2	D426 E429 Y475	D426-R431 HydrophobicContact CB-CG 4.22Å; D426-R431 PolarHBondContact N-O 2.95Å; D426-R431 PolarHBondContact O-N 2.81Å; E429-R431 HydrophobicContact CB-CG 4.04Å; E429-R431 PolarHBondContact O-N 2.87Å; R431-Y475 VanDerWaalsContact NH2-CD1 3.3Å; R431-Y475 VanDerWaalsContact NH2-CG 3.34Å
432	Y	97.6	Very high	94.1	Very high	74 Å²	74	42.8 Å²	42.8	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.4	169.1	-67.5	-72.8	0	0	0	110.9	L229 L410 K423 A424 F425 Y491	L229-Y432 HydrophobicContact CD2-CE1 4.47Å; L410-Y432 HydrophobicContact CD1-CD1 4.04Å; L410-Y432 HydrophobicContact CD1-CE1 3.64Å; K423-Y432 HydrophobicContact CD-CD1 4.49Å; K423-Y432 HydrophobicContact CG-CD1 4.4Å; A424-Y432 CarbonylContact O-C 3.47Å; A424-Y432 WeakPolarHBondContact O-CA 3.45Å; F425-Y432 AromaticContact CD2-CD1 3.81Å; F425-Y432 HydrophobicContact CD2-CD1 3.81Å; F425-Y432 AromaticContact CD2-CE1 3.79Å; F425-Y432 HydrophobicContact CD2-CE1 3.79Å; F425-Y432 HydrophobicContact CD2-CG 4.21Å; Y432-Y491 HydrophobicContact CG-CD1 4.48Å
433	A	98	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.1	177.2	0	0	0	0	0	110.5	A424 V488 M489	A424-A433 PolarHBondContact N-O 3.41Å; A424-A433 PolarHBondContact O-N 3.24Å; A433-V488 HydrophobicContact CB-CG1 3.75Å; A433-M489 WeakPolarHBondContact CA-O 3.48Å
434	A	97.6	Very high	92.8	Very high	10 Å²	10	50.6 Å²	50.6	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.3	170.1	0	0	0	0	0	108.8	L413 V421 Y422 M489	L413-A434 HydrophobicContact CD1-CB 4.49Å; V421-A434 HydrophobicContact CG1-CB 4.28Å; Y422-A434 CarbonylContact O-C 3.6Å; Y422-A434 WeakPolarHBondContact O-CA 3.3Å; A434-M489 HydrophobicContact CB-CB 4.47Å; A434-M489 HydrophobicContact CB-CE 4.49Å; A434-M489 PolarHBondContact N-O 3.26Å; A434-M489 PolarHBondContact O-N 3.02Å
435	V	97.4	Very high	92.3	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.3	178.8	-178.4	0	0	0	0	108.5	L403 L409 V421 Y422 A424 I437 C486 T487 V488	L403-V435 HydrophobicContact CD1-CG1 4.26Å; L409-V435 HydrophobicContact CD2-CB 4.02Å; L409-V435 HydrophobicContact CD2-CG1 4.32Å; L409-V435 HydrophobicContact CD2-CG2 4.08Å; V421-V435 WeakPolarHBondContact CA-O 3.35Å; Y422-V435 PolarHBondContact N-O 3Å; Y422-V435 PolarHBondContact O-N 3.47Å; A424-V435 HydrophobicContact CB-CB 4.42Å; A424-V435 HydrophobicContact CB-CG2 3.48Å; A424-V435 VanDerWaalsContact CB-CG2 3.48Å; V435-I437 HydrophobicContact CG1-CG1 4.06Å; V435-C486 HydrophobicContact CG1-CB 4.16Å; V435-T487 WeakPolarHBondContact CA-O 3.17Å; V435-V488 HydrophobicContact CG2-CG1 4.33Å; V435-V488 HydrophobicContact CG2-CG2 4.26Å
436	K	94.6	Very high	91.7	Very high	18 Å²	18	65 Å²	65	8%	0.078	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.3	174.4	179.4	-176.8	-175.7	-173.7	0	108	E420 V421 H438 E459 C486 T487 M489 D558	E420-K436 CarbonylContact O-C 3.52Å; E420-K436 WeakPolarHBondContact O-CA 3.28Å; V421-K436 HydrophobicContact CG2-CB 4.09Å; V421-K436 HydrophobicContact CG2-CG 4.01Å; K436-H438 VanDerWaalsContact CE-CE1 3.5Å; K436-H438 WeakPolarHBondContact CE-CE1 3.05Å; K436-H438 WeakPolarHBondContact CG-NE2 3.37Å; K436-H438 PolarHBondContact O-CD2 2.9Å; K436-E459 IonicContact NZ-OE1 2.86Å; K436-E459 PolarHBondContact NZ-OE1 2.94Å; K436-C486 WeakPolarHBondContact O-CA 3.37Å; K436-T487 WeakPolarHBondContact CB-OG1 3.15Å; K436-T487 PolarHBondContact N-O 3.31Å; K436-T487 PolarHBondContact O-N 3.49Å; K436-M489 HydrophobicContact CB-CE 3.59Å; K436-M489 HydrophobicContact CD-CE 4.13Å; K436-M489 HydrophobicContact CG-CE 4.49Å; K436-D558 IonicContact NZ-OD1 3.1Å; K436-D558 PolarHBondContact NZ-OD1 3.08Å
437	I	94.4	Very high	91.1	Very high	0 Å²	0	71 Å²	71	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.3	-179.7	-50.3	174.8	0	0	0	107.3	F397 L403 L409 S419 E420 Y422 V435 Q439 T484	F397-I437 HydrophobicContact CB-CD1 4.47Å; F397-I437 HydrophobicContact CD1-CD1 4.18Å; F397-I437 HydrophobicContact CD2-CD1 3.59Å; F397-I437 HydrophobicContact CE1-CD1 4.3Å; F397-I437 HydrophobicContact CE2-CB 4.49Å; F397-I437 HydrophobicContact CE2-CD1 3.72Å; F397-I437 HydrophobicContact CE2-CG2 3.75Å; F397-I437 HydrophobicContact CG-CD1 3.83Å; F397-I437 HydrophobicContact CZ-CD1 4.08Å; F397-I437 HydrophobicContact CZ-CG2 3.91Å; L403-I437 HydrophobicContact CD1-CD1 4.1Å; L403-I437 HydrophobicContact CD1-CG1 4.47Å; L409-I437 HydrophobicContact CD1-CD1 3.96Å; S419-I437 CarbonylContact C-O 3.55Å; S419-I437 WeakPolarHBondContact CA-O 3.49Å; S419-I437 WeakPolarHBondContact CB-O 3.28Å; E420-I437 PolarHBondContact N-O 2.88Å; E420-I437 PolarHBondContact O-N 3.3Å; Y422-I437 HydrophobicContact CD2-CD1 3.87Å; Y422-I437 HydrophobicContact CE2-CD1 4.2Å; V435-I437 HydrophobicContact CG1-CG1 4.06Å; I437-Q439 HydrophobicContact CG2-CG 4.36Å; I437-T484 HydrophobicContact CG2-CG2 3.72Å
438	H	90.8	Very high	90.4	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.019	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125	177.5	-58.5	-115.9	0	0	0	108.7	K436 T484 F485 T487	K436-H438 VanDerWaalsContact CE-CE1 3.5Å; K436-H438 WeakPolarHBondContact CE-CE1 3.05Å; K436-H438 WeakPolarHBondContact CG-NE2 3.37Å; K436-H438 PolarHBondContact O-CD2 2.9Å; H438-T484 WeakPolarHBondContact O-CA 3.49Å; H438-T484 WeakPolarHBondContact O-CG2 3.4Å; H438-F485 HydrophobicContact CB-CD1 4.07Å; H438-F485 HydrophobicContact CB-CD2 4.01Å; H438-F485 HydrophobicContact CB-CE1 3.6Å; H438-F485 HydrophobicContact CB-CE2 3.52Å; H438-F485 HydrophobicContact CB-CG 4.26Å; H438-F485 HydrophobicContact CB-CZ 3.28Å; H438-F485 AromaticContact CD2-CD2 3.82Å; H438-F485 AromaticContact CD2-CE2 3.33Å; H438-F485 WeakPolarHBondContact CD2-CE2 3.41Å; H438-F485 AromaticContact CD2-CZ 3.97Å; H438-F485 AromaticContact CE1-CE2 3.94Å; H438-F485 AromaticContact CG-CE2 3.27Å; H438-F485 AromaticContact CG-CZ 3.39Å; H438-F485 PolarHBondContact N-O 2.94Å; H438-F485 AromaticContact ND1-CE2 3.69Å; H438-F485 AromaticContact ND1-CZ 3.63Å; H438-F485 AromaticContact NE2-CE2 3.79Å; H438-F485 PolarHBondContact O-N 3.48Å; H438-T487 PolarHBondContact NE2-OG1 2.87Å
439	Q	88.7	Confident	89.8	Confident	56 Å²	56	69.8 Å²	69.8	26%	0.262	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.5	180	-69.3	174.9	47.3	0	0	109.2	F418 I437 T484	F418-Q439 PolarHBondContact O-N 3.48Å; I437-Q439 HydrophobicContact CG2-CG 4.36Å; Q439-T484 HydrophobicContact CG-CG2 4.14Å
440	L	85.6	Confident	89.2	Confident	13 Å²	13	69.3 Å²	69.3	7%	0.068	31%	0.312	C	S	.	.			trans	-73.4	146.1	174.4	-68.3	168.1	0	0	0	110.3	K442 W444 K449 Y452 D483	L440-K442 PolarHBondContact O-N 3.22Å; L440-W444 HydrophobicContact CD2-CE3 4.12Å; L440-W444 HydrophobicContact CD2-CZ3 3.77Å; L440-K449 HydrophobicContact CD1-CB 4.4Å; L440-Y452 HydrophobicContact CD2-CD1 3.22Å; L440-Y452 HydrophobicContact CD2-CD2 4.17Å; L440-Y452 HydrophobicContact CD2-CE1 3.71Å; L440-Y452 HydrophobicContact CD2-CG 3.44Å; L440-Y452 VanDerWaalsContact CD2-CG 3.44Å; L440-Y452 HydrophobicContact CG-CD1 4.23Å; L440-D483 HydrophobicContact CB-CB 4.18Å; L440-D483 VanDerWaalsContact CB-O 3.24Å; L440-D483 WeakPolarHBondContact CB-O 3.42Å; L440-D483 WeakPolarHBondContact CG-O 3.48Å; L440-D483 PolarHBondContact N-O 3.44Å
441	N	82.9	Confident	88.5	Confident	68 Å²	68	66.7 Å²	66.7	36%	0.364	30%	0.302	S	S	.	.			trans	-71.8	120.3	172.7	-175.2	-30.1	0	0	0	109.2	N443 W444	N441-N443 PolarHBondContact O-N 2.93Å; N441-N443 VanDerWaalsContact O-N 3.12Å; N441-N443 WeakPolarHBondContact OD1-CB 3.41Å; N441-N443 PolarHBondContact OD1-N 3.12Å; N441-W444 HydrophobicContact CB-CD2 3.86Å; N441-W444 HydrophobicContact CB-CG 3.86Å; N441-W444 HydrophobicContact CB-CZ2 4.25Å; N441-W444 WeakPolarHBondContact O-CB 3.38Å; N441-W444 PolarHBondContact O-N 3.48Å
442	K	82.3	Confident	87.7	Confident	156 Å²	156	65 Å²	65	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.1	-178.9	-61.4	-170.8	176.5	-175.3	0	113.4	L440 W444 K449	L440-K442 PolarHBondContact O-N 3.22Å; K442-W444 VanDerWaalsContact C-N 3.29Å; K442-W444 PolarHBondContact O-N 3.39Å; K442-K449 PolarHBondContact O-NZ 3.28Å
443	N	85.5	Confident	86.8	Confident	148 Å²	148	65.1 Å²	65.1	79%	0.791	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	-178.4	-56.2	-11.7	0	0	0	112.9	N441	N441-N443 PolarHBondContact O-N 2.93Å; N441-N443 VanDerWaalsContact O-N 3.12Å; N441-N443 WeakPolarHBondContact OD1-CB 3.41Å; N441-N443 PolarHBondContact OD1-N 3.12Å
444	W	83.8	Confident	85.9	Confident	43 Å²	43	70.5 Å²	70.5	16%	0.163	32%	0.322	C	S	.	.	S	Bend	trans	-69.5	144.6	174.7	-73.7	-0.4	0	0	0	111.2	F418 L440 N441 K442 K448 K449 Y452	F418-W444 HydrophobicContact CD1-CH2 4.16Å; F418-W444 HydrophobicContact CD1-CZ2 4.24Å; F418-W444 AromaticContact CE1-CH2 3.91Å; F418-W444 HydrophobicContact CE1-CH2 3.91Å; F418-W444 AromaticContact CE1-CZ2 3.61Å; F418-W444 HydrophobicContact CE1-CZ2 3.61Å; F418-W444 HydrophobicContact CZ-CH2 4.19Å; F418-W444 AromaticContact CZ-CZ2 3.96Å; F418-W444 HydrophobicContact CZ-CZ2 3.96Å; L440-W444 HydrophobicContact CD2-CE3 4.12Å; L440-W444 HydrophobicContact CD2-CZ3 3.77Å; N441-W444 HydrophobicContact CB-CD2 3.86Å; N441-W444 HydrophobicContact CB-CG 3.86Å; N441-W444 HydrophobicContact CB-CZ2 4.25Å; N441-W444 WeakPolarHBondContact O-CB 3.38Å; N441-W444 PolarHBondContact O-N 3.48Å; K442-W444 VanDerWaalsContact C-N 3.29Å; K442-W444 PolarHBondContact O-N 3.39Å; W444-K448 HydrophobicContact CB-CB 4.4Å; W444-K448 HydrophobicContact CB-CD 4.25Å; W444-K448 HydrophobicContact CD2-CD 3.66Å; W444-K448 HydrophobicContact CD2-CG 4.06Å; W444-K448 VanDerWaalsContact CE2-CE 3.49Å; W444-K448 HydrophobicContact CE3-CD 3.98Å; W444-K448 HydrophobicContact CE3-CG 3.86Å; W444-K448 HydrophobicContact CG-CD 3.79Å; W444-K448 HydrophobicContact CG-CG 4.36Å; W444-K448 HydrophobicContact CZ3-CG 4.44Å; W444-K449 HydrophobicContact CB-CG 3.98Å; W444-K449 WeakPolarHBondContact O-CE 3.45Å; W444-Y452 HydrophobicContact CH2-CD2 4.32Å; W444-Y452 AromaticContact CZ3-CD2 3.96Å; W444-Y452 HydrophobicContact CZ3-CD2 3.96Å; W444-Y452 HydrophobicContact CZ3-CG 4.3Å
445	R	87.8	Confident	85	Confident	198 Å²	198	74.6 Å²	74.6	75%	0.747	34%	0.34	S	S	*	.			trans	-59.7	147.7	169.2	-64.2	-173.5	-68.3	-161.1	-0.7	109.9	E447 K448 K449	R445-E447 VanDerWaalsContact C-N 3.28Å; R445-E447 PolarHBondContact O-N 2.94Å; R445-K448 WeakPolarHBondContact O-CB 3.43Å; R445-K448 PolarHBondContact O-N 2.94Å; R445-K449 PolarHBondContact O-N 3.17Å; R445-K449 VanDerWaalsContact O-N 3.14Å
446	E	84.9	Confident	84.1	Confident	134 Å²	134	74.9 Å²	74.9	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-56.7	-41.4	-176.6	-160.3	56.4	-142.3	0	0	112.5	K448 K449 E450	E446-K448 VanDerWaalsContact C-N 3.26Å; E446-K448 PolarHBondContact O-N 2.85Å; E446-K449 WeakPolarHBondContact O-CB 3.38Å; E446-K449 PolarHBondContact O-N 3.1Å; E446-E450 WeakPolarHBondContact O-CB 3.48Å; E446-E450 PolarHBondContact O-N 3.09Å
447	E	85.3	Confident	83.4	Confident	127 Å²	127	75.3 Å²	75.3	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-55.3	-39.8	174.7	-174.5	-172	179.4	0	0	112.8	R445 N451	R445-E447 VanDerWaalsContact C-N 3.28Å; R445-E447 PolarHBondContact O-N 2.94Å; E447-N451 WeakPolarHBondContact O-CB 3.2Å; E447-N451 PolarHBondContact O-N 2.94Å; E447-N451 PolarHBondContact O-ND2 3.17Å
448	K	81.3	Confident	82.9	Confident	76 Å²	76	78.9 Å²	78.9	33%	0.33	36%	0.361	S	S	.	.	H	α-helix	trans	-71.5	-38.5	178.4	-174.5	175.7	179.1	180	0	111.4	W444 R445 E446 Y452	W444-K448 HydrophobicContact CB-CB 4.4Å; W444-K448 HydrophobicContact CB-CD 4.25Å; W444-K448 HydrophobicContact CD2-CD 3.66Å; W444-K448 HydrophobicContact CD2-CG 4.06Å; W444-K448 VanDerWaalsContact CE2-CE 3.49Å; W444-K448 HydrophobicContact CE3-CD 3.98Å; W444-K448 HydrophobicContact CE3-CG 3.86Å; W444-K448 HydrophobicContact CG-CD 3.79Å; W444-K448 HydrophobicContact CG-CG 4.36Å; W444-K448 HydrophobicContact CZ3-CG 4.44Å; R445-K448 WeakPolarHBondContact O-CB 3.43Å; R445-K448 PolarHBondContact O-N 2.94Å; E446-K448 VanDerWaalsContact C-N 3.26Å; E446-K448 PolarHBondContact O-N 2.85Å; K448-Y452 PolarHBondContact O-N 3.24Å
449	K	81.5	Confident	82.5	Confident	21 Å²	21	79.6 Å²	79.6	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-45.2	174.7	-65.4	-175.7	178.6	-172.7	0	110.7	L440 K442 W444 R445 E446 N451 Y452 H453 D483	L440-K449 HydrophobicContact CD1-CB 4.4Å; K442-K449 PolarHBondContact O-NZ 3.28Å; W444-K449 HydrophobicContact CB-CG 3.98Å; W444-K449 WeakPolarHBondContact O-CE 3.45Å; R445-K449 PolarHBondContact O-N 3.17Å; R445-K449 VanDerWaalsContact O-N 3.14Å; E446-K449 WeakPolarHBondContact O-CB 3.38Å; E446-K449 PolarHBondContact O-N 3.1Å; K449-N451 PolarHBondContact O-N 3.05Å; K449-Y452 PolarHBondContact O-N 3.42Å; K449-H453 WeakPolarHBondContact O-CB 3.45Å; K449-H453 PolarHBondContact O-N 2.87Å; K449-D483 WeakPolarHBondContact CD-OD1 3.43Å; K449-D483 WeakPolarHBondContact CE-OD1 3.41Å; K449-D483 IonicContact NZ-OD1 3.88Å; K449-D483 PolarHBondContact NZ-OD1 2.95Å; K449-D483 IonicContact NZ-OD2 2.9Å; K449-D483 PolarHBondContact NZ-OD2 2.88Å
450	E	81.9	Confident	82.4	Confident	98 Å²	98	79.9 Å²	79.9	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-44.4	177.1	-164.9	-168.7	155.8	0	0	111.4	E446 Y452 H453 K454	E446-E450 WeakPolarHBondContact O-CB 3.48Å; E446-E450 PolarHBondContact O-N 3.09Å; E450-Y452 PolarHBondContact O-N 2.89Å; E450-H453 PolarHBondContact O-N 3.05Å; E450-K454 WeakPolarHBondContact O-CG 3.44Å; E450-K454 PolarHBondContact O-N 3.25Å; E450-K454 WeakPolarHBondContact OE1-CE 3.36Å; E450-K454 IonicContact OE1-NZ 2.69Å; E450-K454 PolarHBondContact OE1-NZ 3.05Å
451	N	80.6	Confident	82.4	Confident	70 Å²	70	88 Å²	88	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-44.2	175.3	-74.1	-20.9	0	0	0	111.9	E447 K449 H453 K454 H455	E447-N451 WeakPolarHBondContact O-CB 3.2Å; E447-N451 PolarHBondContact O-N 2.94Å; E447-N451 PolarHBondContact O-ND2 3.17Å; K449-N451 PolarHBondContact O-N 3.05Å; N451-H453 PolarHBondContact O-N 2.84Å; N451-K454 WeakPolarHBondContact O-CB 3.36Å; N451-K454 PolarHBondContact O-N 2.84Å; N451-H455 PolarHBondContact O-CD2 3.41Å; N451-H455 PolarHBondContact O-N 3.03Å
452	Y	79.7	Confident	82.6	Confident	51 Å²	51	85.2 Å²	85.2	20%	0.2	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-41.4	175.4	-169	-81.1	0	0	0	112	L440 W444 K448 K449 E450 K454 H455 A456 F485	L440-Y452 HydrophobicContact CD2-CD1 3.22Å; L440-Y452 HydrophobicContact CD2-CD2 4.17Å; L440-Y452 HydrophobicContact CD2-CE1 3.71Å; L440-Y452 HydrophobicContact CD2-CG 3.44Å; L440-Y452 VanDerWaalsContact CD2-CG 3.44Å; L440-Y452 HydrophobicContact CG-CD1 4.23Å; W444-Y452 HydrophobicContact CH2-CD2 4.32Å; W444-Y452 AromaticContact CZ3-CD2 3.96Å; W444-Y452 HydrophobicContact CZ3-CD2 3.96Å; W444-Y452 HydrophobicContact CZ3-CG 4.3Å; K448-Y452 PolarHBondContact O-N 3.24Å; K449-Y452 PolarHBondContact O-N 3.42Å; E450-Y452 PolarHBondContact O-N 2.89Å; Y452-K454 VanDerWaalsContact C-N 3.33Å; Y452-K454 PolarHBondContact O-N 3.48Å; Y452-H455 WeakPolarHBondContact O-CB 3.46Å; Y452-H455 PolarHBondContact O-N 3Å; Y452-A456 PolarHBondContact O-N 3.27Å; Y452-F485 HydrophobicContact CD1-CE1 4.14Å; Y452-F485 HydrophobicContact CD1-CZ 4.34Å; Y452-F485 AromaticContact CE1-CE1 3.88Å; Y452-F485 HydrophobicContact CE1-CE1 3.88Å; Y452-F485 AromaticContact CE1-CZ 3.82Å; Y452-F485 HydrophobicContact CE1-CZ 3.82Å
453	H	78.1	Confident	83.1	Confident	77 Å²	77	77.9 Å²	77.9	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-40.3	176	-166.6	83.2	0	0	0	111.7	K449 E450 N451 H455 A456 C457 Y477	K449-H453 WeakPolarHBondContact O-CB 3.45Å; K449-H453 PolarHBondContact O-N 2.87Å; E450-H453 PolarHBondContact O-N 3.05Å; N451-H453 PolarHBondContact O-N 2.84Å; H453-H455 PolarHBondContact O-N 2.94Å; H453-A456 PolarHBondContact O-N 3.22Å; H453-C457 PolarHBondContact NE2-SG 2.95Å; H453-C457 WeakPolarHBondContact O-CB 3.26Å; H453-C457 PolarHBondContact O-N 3.41Å; H453-C457 PolarHBondContact O-SG 3.11Å; H453-C457 VanDerWaalsContact O-SG 3.32Å; H453-Y477 PolarHBondContact CE1-OH 3.35Å; H453-Y477 VanDerWaalsContact CE1-OH 3.31Å
454	K	80.5	Confident	83.4	Confident	112 Å²	112	74.7 Å²	74.7	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-44.2	172	-73.6	169.8	-177	162.1	0	111.6	E450 N451 Y452 C457 R458	E450-K454 WeakPolarHBondContact O-CG 3.44Å; E450-K454 PolarHBondContact O-N 3.25Å; E450-K454 WeakPolarHBondContact OE1-CE 3.36Å; E450-K454 IonicContact OE1-NZ 2.69Å; E450-K454 PolarHBondContact OE1-NZ 3.05Å; N451-K454 WeakPolarHBondContact O-CB 3.36Å; N451-K454 PolarHBondContact O-N 2.84Å; Y452-K454 VanDerWaalsContact C-N 3.33Å; Y452-K454 PolarHBondContact O-N 3.48Å; K454-C457 PolarHBondContact O-N 3.21Å; K454-R458 WeakPolarHBondContact O-CB 3.42Å; K454-R458 PolarHBondContact O-N 2.69Å
455	H	78.4	Confident	83.6	Confident	96 Å²	96	80 Å²	80	44%	0.444	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-45.1	175.9	-75.6	-66.8	0	0	0	112.3	N451 Y452 H453 R458 E459	N451-H455 PolarHBondContact O-CD2 3.41Å; N451-H455 PolarHBondContact O-N 3.03Å; Y452-H455 WeakPolarHBondContact O-CB 3.46Å; Y452-H455 PolarHBondContact O-N 3Å; H453-H455 PolarHBondContact O-N 2.94Å; H455-R458 WeakPolarHBondContact O-CB 3.24Å; H455-R458 PolarHBondContact O-N 3.13Å; H455-E459 PolarHBondContact O-N 2.84Å
456	A	78.5	Confident	84	Confident	6 Å²	6	71 Å²	71	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-40.3	178.3	0	0	0	0	0	113.1	Y452 H453 R458 E459 Y460 F485	Y452-A456 PolarHBondContact O-N 3.27Å; H453-A456 PolarHBondContact O-N 3.22Å; A456-R458 VanDerWaalsContact C-N 3.27Å; A456-R458 PolarHBondContact O-N 3.35Å; A456-E459 WeakPolarHBondContact O-CB 3.5Å; A456-E459 PolarHBondContact O-N 2.75Å; A456-Y460 PolarHBondContact O-N 3.43Å; A456-F485 HydrophobicContact CB-CE1 3.95Å; A456-F485 HydrophobicContact CB-CE2 3.48Å; A456-F485 VanDerWaalsContact CB-CE2 3.48Å; A456-F485 HydrophobicContact CB-CZ 3.14Å
457	C	80.1	Confident	84.5	Confident	28 Å²	28	69.4 Å²	69.4	19%	0.189	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-36.3	173.2	-76.5	0	0	0	0	111.7	H453 K454 R461	H453-C457 PolarHBondContact NE2-SG 2.95Å; H453-C457 WeakPolarHBondContact O-CB 3.26Å; H453-C457 PolarHBondContact O-N 3.41Å; H453-C457 PolarHBondContact O-SG 3.11Å; H453-C457 VanDerWaalsContact O-SG 3.32Å; K454-C457 PolarHBondContact O-N 3.21Å; C457-R461 WeakPolarHBondContact O-CB 3.22Å; C457-R461 VanDerWaalsContact O-CG 3.26Å; C457-R461 WeakPolarHBondContact O-CG 3.29Å; C457-R461 PolarHBondContact O-N 3.1Å
458	R	82.3	Confident	85.1	Confident	74 Å²	74	64.2 Å²	64.2	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-47.7	173.4	-178.9	-172.1	179.5	168.3	10.6	111.3	K454 H455 A456 Y460 R461 I462 I564	K454-R458 WeakPolarHBondContact O-CB 3.42Å; K454-R458 PolarHBondContact O-N 2.69Å; H455-R458 WeakPolarHBondContact O-CB 3.24Å; H455-R458 PolarHBondContact O-N 3.13Å; A456-R458 VanDerWaalsContact C-N 3.27Å; A456-R458 PolarHBondContact O-N 3.35Å; R458-Y460 VanDerWaalsContact C-N 3.3Å; R458-Y460 PolarHBondContact O-N 3.13Å; R458-R461 PolarHBondContact O-N 3.42Å; R458-I462 HydrophobicContact CG-CD1 3.86Å; R458-I462 HydrophobicContact CG-CG1 4.47Å; R458-I462 WeakPolarHBondContact O-CG1 3.29Å; R458-I462 PolarHBondContact O-N 2.81Å; R458-I564 VanDerWaalsContact NH2-N 3.14Å
459	E	84.1	Confident	85.9	Confident	20 Å²	20	64.2 Å²	64.2	9%	0.093	30%	0.297	C	S	.	.	H	α-helix	trans	-53.3	-49.8	174	178.3	-179.4	174.8	0	0	110.4	K436 H455 A456 R461 I462 H463 F559 G560	K436-E459 IonicContact NZ-OE1 2.86Å; K436-E459 PolarHBondContact NZ-OE1 2.94Å; H455-E459 PolarHBondContact O-N 2.84Å; A456-E459 WeakPolarHBondContact O-CB 3.5Å; A456-E459 PolarHBondContact O-N 2.75Å; E459-R461 PolarHBondContact O-N 2.88Å; E459-I462 PolarHBondContact O-N 3.47Å; E459-H463 VanDerWaalsContact O-CB 3.23Å; E459-H463 WeakPolarHBondContact O-CB 3.35Å; E459-H463 PolarHBondContact O-N 3.11Å; E459-F559 HydrophobicContact CG-CB 4.44Å; E459-G560 VanDerWaalsContact CD-CA 3.46Å; E459-G560 WeakPolarHBondContact OE2-CA 3.36Å
460	Y	86.1	Confident	86.7	Confident	62 Å²	62	65 Å²	65	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-56.2	-51.8	176.3	172	-101.3	0	0	0	112.4	A456 R458 I462 H463 K464 L474 Y477	A456-Y460 PolarHBondContact O-N 3.43Å; R458-Y460 VanDerWaalsContact C-N 3.3Å; R458-Y460 PolarHBondContact O-N 3.13Å; Y460-I462 VanDerWaalsContact C-N 3.35Å; Y460-I462 PolarHBondContact O-N 2.89Å; Y460-H463 PolarHBondContact O-N 2.85Å; Y460-K464 HydrophobicContact CE2-CB 4.3Å; Y460-K464 HydrophobicContact CE2-CD 4.17Å; Y460-K464 HydrophobicContact CE2-CG 4.36Å; Y460-K464 WeakPolarHBondContact O-CB 3.39Å; Y460-K464 PolarHBondContact O-N 3.45Å; Y460-L474 HydrophobicContact CD2-CD2 3.54Å; Y460-L474 HydrophobicContact CD2-CG 4.49Å; Y460-L474 HydrophobicContact CE2-CD2 3.96Å; Y460-L474 HydrophobicContact CG-CD2 4.41Å; Y460-Y477 HydrophobicContact CD2-CD2 4.12Å; Y460-Y477 AromaticContact CD2-CG 3.81Å; Y460-Y477 HydrophobicContact CD2-CG 3.81Å; Y460-Y477 HydrophobicContact CE2-CG 4.12Å; Y460-Y477 HydrophobicContact CG-CD2 4.31Å; Y460-Y477 HydrophobicContact CG-CG 4.15Å
461	R	85.3	Confident	87.4	Confident	184 Å²	184	60.4 Å²	60.4	69%	0.694	28%	0.279	S	S	*	.	H	α-helix	trans	-61.8	-41.8	-177.9	-74.5	172.5	-175.6	177.4	1.7	112.4	C457 R458 E459	C457-R461 WeakPolarHBondContact O-CB 3.22Å; C457-R461 VanDerWaalsContact O-CG 3.26Å; C457-R461 WeakPolarHBondContact O-CG 3.29Å; C457-R461 PolarHBondContact O-N 3.1Å; R458-R461 PolarHBondContact O-N 3.42Å; E459-R461 PolarHBondContact O-N 2.88Å
462	I	87.2	Confident	88.2	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-55	176	-72.4	169.7	0	0	0	109.3	R458 E459 Y460 K464 L466 I533 F559 I564	R458-I462 HydrophobicContact CG-CD1 3.86Å; R458-I462 HydrophobicContact CG-CG1 4.47Å; R458-I462 WeakPolarHBondContact O-CG1 3.29Å; R458-I462 PolarHBondContact O-N 2.81Å; E459-I462 PolarHBondContact O-N 3.47Å; Y460-I462 VanDerWaalsContact C-N 3.35Å; Y460-I462 PolarHBondContact O-N 2.89Å; I462-K464 PolarHBondContact O-N 3.37Å; I462-L466 HydrophobicContact CG2-CD1 4.46Å; I462-L466 WeakPolarHBondContact O-CG 3.48Å; I462-I533 HydrophobicContact CG2-CD1 3.7Å; I462-I533 HydrophobicContact CG2-CG1 4.4Å; I462-I533 HydrophobicContact CG2-CG2 4.23Å; I462-F559 HydrophobicContact CG2-CB 4.42Å; I462-F559 HydrophobicContact CG2-CD1 4.28Å; I462-I564 HydrophobicContact CD1-CD1 3.89Å; I462-I564 HydrophobicContact CD1-CG1 3.65Å; I462-I564 HydrophobicContact CG1-CD1 3.69Å; I462-I564 HydrophobicContact CG1-CG1 3.76Å
463	H	92.6	Very high	89	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-76.4	-26.2	-167	-170.1	-172.7	0	0	0	112.8	E459 Y460 E465 L466 V472 L474 F559	E459-H463 VanDerWaalsContact O-CB 3.23Å; E459-H463 WeakPolarHBondContact O-CB 3.35Å; E459-H463 PolarHBondContact O-N 3.11Å; Y460-H463 PolarHBondContact O-N 2.85Å; H463-E465 VanDerWaalsContact C-N 3.3Å; H463-E465 PolarHBondContact O-N 2.87Å; H463-L466 PolarHBondContact O-N 2.86Å; H463-V472 PolarHBondContact NE2-O 3.28Å; H463-L474 HydrophobicContact CB-CB 4.46Å; H463-L474 HydrophobicContact CB-CD2 3.94Å; H463-F559 HydrophobicContact CB-CB 4.36Å; H463-F559 HydrophobicContact CB-CD2 4.21Å; H463-F559 HydrophobicContact CB-CG 4.41Å; H463-F559 AromaticContact CD2-CD2 3.7Å; H463-F559 AromaticContact CD2-CE2 3.77Å; H463-F559 AromaticContact CE1-CD2 3.81Å; H463-F559 AromaticContact CG-CD2 3.66Å; H463-F559 AromaticContact ND1-CD2 3.73Å; H463-F559 AromaticContact NE2-CD2 3.79Å; H463-F559 AromaticContact NE2-CE2 3.69Å
464	K	90.8	Very high	89.9	Confident	81 Å²	81	55.2 Å²	55.2	35%	0.352	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-34.5	178.3	-175.1	59.6	177	174.2	0	113.3	Y460 I462 L466 L474 Y475	Y460-K464 HydrophobicContact CE2-CB 4.3Å; Y460-K464 HydrophobicContact CE2-CD 4.17Å; Y460-K464 HydrophobicContact CE2-CG 4.36Å; Y460-K464 WeakPolarHBondContact O-CB 3.39Å; Y460-K464 PolarHBondContact O-N 3.45Å; I462-K464 PolarHBondContact O-N 3.37Å; K464-L466 VanDerWaalsContact C-N 3.34Å; K464-L474 HydrophobicContact CB-CD2 4.22Å; K464-Y475 PolarHBondContact NZ-O 3.42Å
465	E	89.5	Confident	90.6	Very high	153 Å²	153	52.1 Å²	52.1	72%	0.715	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.5	-178.6	-59.7	-59.5	141	0	0	112.8	H463 D467	H463-E465 VanDerWaalsContact C-N 3.3Å; H463-E465 PolarHBondContact O-N 2.87Å; E465-D467 PolarHBondContact O-N 2.81Å
466	L	94.9	Very high	91.3	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	23%	0.226	C	C	.	.			trans	-81	121.3	-178.9	-54	-177.8	0	0	0	110.8	I462 H463 K464 I471 Y525 L526 I529 I533 F559	I462-L466 HydrophobicContact CG2-CD1 4.46Å; I462-L466 WeakPolarHBondContact O-CG 3.48Å; H463-L466 PolarHBondContact O-N 2.86Å; K464-L466 VanDerWaalsContact C-N 3.34Å; L466-I471 HydrophobicContact CB-CG2 4.29Å; L466-I471 HydrophobicContact CD1-CD1 4.43Å; L466-I471 HydrophobicContact CD1-CG2 4.22Å; L466-Y525 HydrophobicContact CB-CE1 4.38Å; L466-Y525 HydrophobicContact CD2-CE1 4.06Å; L466-L526 HydrophobicContact CD1-CD2 3.87Å; L466-L526 HydrophobicContact CD2-CD2 3.82Å; L466-L526 HydrophobicContact CG-CD2 4.49Å; L466-I529 HydrophobicContact CD2-CD1 3.43Å; L466-I529 VanDerWaalsContact CD2-CD1 3.43Å; L466-I533 HydrophobicContact CD2-CD1 4.13Å; L466-F559 HydrophobicContact CD1-CD1 3.91Å; L466-F559 HydrophobicContact CD1-CD2 4.32Å; L466-F559 HydrophobicContact CD1-CE1 3.44Å; L466-F559 VanDerWaalsContact CD1-CE1 3.44Å; L466-F559 HydrophobicContact CD1-CE2 3.91Å; L466-F559 HydrophobicContact CD1-CG 4.33Å; L466-F559 HydrophobicContact CD1-CZ 3.45Å; L466-F559 VanDerWaalsContact CD1-CZ 3.45Å
467	D	95.6	Very high	92	Very high	101 Å²	101	51 Å²	51	54%	0.54	23%	0.232	S	C	.	.			trans	-131.9	95.7	172.3	-168.7	16.4	0	0	0	110.4	E465 K473 Y525	E465-D467 PolarHBondContact O-N 2.81Å; D467-K473 WeakPolarHBondContact OD1-CE 3.26Å; D467-K473 IonicContact OD1-NZ 2.8Å; D467-K473 PolarHBondContact OD1-NZ 3.17Å; D467-K473 IonicContact OD2-NZ 3.32Å; D467-Y525 PolarHBondContact N-OH 2.92Å
468	H	97.9	Very high	92.6	Very high	19 Å²	19	50.5 Å²	50.5	9%	0.088	23%	0.227	C	C	.	.			trans	-148.9	139.7	178.4	-176.4	-94.9	0	0	0	110.2	R470 I471 Y525	H468-R470 PolarHBondContact ND1-N 3.29Å; H468-R470 VanDerWaalsContact ND1-N 3.11Å; H468-R470 PolarHBondContact O-N 2.9Å; H468-R470 VanDerWaalsContact O-N 3.08Å; H468-I471 HydrophobicContact CB-CB 4.32Å; H468-I471 HydrophobicContact CB-CD1 4.05Å; H468-I471 HydrophobicContact CB-CG1 4.17Å; H468-I471 PolarHBondContact O-N 2.78Å; H468-I471 VanDerWaalsContact O-O 3.06Å; H468-Y525 HydrophobicContact CB-CD1 3.67Å; H468-Y525 HydrophobicContact CB-CD2 4.28Å; H468-Y525 HydrophobicContact CB-CE1 3.8Å; H468-Y525 HydrophobicContact CB-CE2 4.39Å; H468-Y525 HydrophobicContact CB-CG 3.91Å; H468-Y525 AromaticContact CD2-CG 3.74Å; H468-Y525 AromaticContact CG-CG 3.92Å
469	P	97.6	Very high	93	Very high	75 Å²	75	50.9 Å²	50.9	49%	0.487	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.5	-176.1	22.4	-35.3	0	0	0	114.6	K555	P469-K555 WeakPolarHBondContact O-CE 3.39Å; P469-K555 WeakPolarHBondContact O-CG 3.31Å; P469-K555 PolarHBondContact O-NZ 3.47Å; P469-K555 VanDerWaalsContact O-NZ 3.16Å
470	R	98.2	Very high	93.3	Very high	38 Å²	38	53.1 Å²	53.1	14%	0.143	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	13.2	177.7	-50.8	-60.4	160.7	-130.4	7.6	114.1	H468 Q518 A522 E553 I554 K555 I556	H468-R470 PolarHBondContact ND1-N 3.29Å; H468-R470 VanDerWaalsContact ND1-N 3.11Å; H468-R470 PolarHBondContact O-N 2.9Å; H468-R470 VanDerWaalsContact O-N 3.08Å; R470-Q518 HydrophobicContact CG-CB 4.35Å; R470-A522 HydrophobicContact CB-CB 3.9Å; R470-E553 IonicContact CZ-OE1 3.11Å; R470-E553 IonicContact CZ-OE2 2.91Å; R470-E553 IonicContact NH1-OE1 2.84Å; R470-E553 PolarHBondContact NH1-OE1 2.81Å; R470-E553 IonicContact NH1-OE2 2.79Å; R470-E553 PolarHBondContact NH1-OE2 2.94Å; R470-E553 VanDerWaalsContact NH2-CD 3.32Å; R470-E553 IonicContact NH2-OE1 2.89Å; R470-E553 PolarHBondContact NH2-OE1 2.83Å; R470-E553 IonicContact NH2-OE2 3.24Å; R470-I554 WeakPolarHBondContact CD-O 3.32Å; R470-K555 CarbonylContact O-C 3.53Å; R470-K555 WeakPolarHBondContact O-CA 3.43Å; R470-I556 PolarHBondContact O-N 2.85Å
471	I	98.2	Very high	93.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-123.3	136.5	173.4	-62.2	178.2	0	0	0	107.6	L466 H468 K473 A522 Y525 L526 F559	L466-I471 HydrophobicContact CB-CG2 4.29Å; L466-I471 HydrophobicContact CD1-CD1 4.43Å; L466-I471 HydrophobicContact CD1-CG2 4.22Å; H468-I471 HydrophobicContact CB-CB 4.32Å; H468-I471 HydrophobicContact CB-CD1 4.05Å; H468-I471 HydrophobicContact CB-CG1 4.17Å; H468-I471 PolarHBondContact O-N 2.78Å; H468-I471 VanDerWaalsContact O-O 3.06Å; I471-K473 PolarHBondContact O-N 2.92Å; I471-A522 HydrophobicContact CG1-CB 4.11Å; I471-Y525 HydrophobicContact CD1-CD1 3.66Å; I471-Y525 HydrophobicContact CD1-CE1 3.91Å; I471-L526 HydrophobicContact CD1-CD1 4.49Å; I471-L526 HydrophobicContact CD1-CD2 3.79Å; I471-L526 HydrophobicContact CD1-CG 4.01Å; I471-F559 HydrophobicContact CD1-CZ 4.29Å; I471-F559 HydrophobicContact CG1-CZ 4.49Å; I471-F559 HydrophobicContact CG2-CE2 3.68Å; I471-F559 HydrophobicContact CG2-CZ 3.63Å
472	V	97.3	Very high	93.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.267	C	S	.	.			trans	-62.5	131	173.7	169.9	0	0	0	0	108.7	H463 M489 E490 L544 K555 I556	H463-V472 PolarHBondContact NE2-O 3.28Å; V472-M489 HydrophobicContact CG1-CB 3.88Å; V472-E490 HydrophobicContact CG1-CB 3.99Å; V472-L544 HydrophobicContact CG2-CD1 3.77Å; V472-K555 HydrophobicContact CG2-CB 3.79Å; V472-K555 HydrophobicContact CG2-CD 4.49Å; V472-I556 PolarHBondContact N-O 2.87Å
473	K	96.4	Very high	93.3	Very high	75 Å²	75	52 Å²	52	33%	0.326	27%	0.27	S	S	.	.			trans	-74.7	142	177.2	-63.2	-168.4	174.6	-152.1	0	112.3	D467 I471 Y475 M489 E490	D467-K473 WeakPolarHBondContact OD1-CE 3.26Å; D467-K473 IonicContact OD1-NZ 2.8Å; D467-K473 PolarHBondContact OD1-NZ 3.17Å; D467-K473 IonicContact OD2-NZ 3.32Å; I471-K473 PolarHBondContact O-N 2.92Å; K473-Y475 HydrophobicContact CB-CD1 4.22Å; K473-Y475 HydrophobicContact CB-CE1 3.71Å; K473-Y475 HydrophobicContact CD-CE1 4.34Å; K473-M489 CarbonylContact O-C 3.49Å; K473-M489 VanDerWaalsContact O-CA 3.29Å; K473-M489 WeakPolarHBondContact O-CA 3.36Å; K473-E490 HydrophobicContact CB-CB 4.17Å; K473-E490 PolarHBondContact N-OE2 2.92Å; K473-E490 VanDerWaalsContact N-OE2 3.13Å; K473-E490 PolarHBondContact O-N 3.4Å
474	L	95.8	Very high	93.1	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.8	168.7	-174.4	68.9	0	0	0	110.3	Y460 H463 K464 T487 V488 M489	Y460-L474 HydrophobicContact CD2-CD2 3.54Å; Y460-L474 HydrophobicContact CD2-CG 4.49Å; Y460-L474 HydrophobicContact CE2-CD2 3.96Å; Y460-L474 HydrophobicContact CG-CD2 4.41Å; H463-L474 HydrophobicContact CB-CB 4.46Å; H463-L474 HydrophobicContact CB-CD2 3.94Å; K464-L474 HydrophobicContact CB-CD2 4.22Å; L474-T487 HydrophobicContact CD1-CG2 4.41Å; L474-V488 WeakPolarHBondContact CD1-O 3.4Å; L474-M489 HydrophobicContact CD1-CG 3.84Å
475	Y	94.9	Very high	93.1	Very high	47 Å²	47	48.7 Å²	48.7	18%	0.184	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.4	-177.4	-61.6	-36	0	0	0	112.4	R431 K464 K473 V488 E490	R431-Y475 VanDerWaalsContact NH2-CD1 3.3Å; R431-Y475 VanDerWaalsContact NH2-CG 3.34Å; K464-Y475 PolarHBondContact NZ-O 3.42Å; K473-Y475 HydrophobicContact CB-CD1 4.22Å; K473-Y475 HydrophobicContact CB-CE1 3.71Å; K473-Y475 HydrophobicContact CD-CE1 4.34Å; Y475-V488 WeakPolarHBondContact CA-O 3.49Å; Y475-V488 HydrophobicContact CD2-CG1 4.43Å; Y475-V488 PolarHBondContact N-O 3.09Å; Y475-E490 HydrophobicContact CE2-CB 4.18Å
476	D	94.2	Very high	93.3	Very high	33 Å²	33	41.4 Å²	41.4	18%	0.176	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163	-167.8	-159.1	9.8	0	0	0	113.1	Y407 V488	Y407-D476 HydrophobicContact CE2-CB 4.47Å; Y407-D476 WeakPolarHBondContact CE2-OD2 3.23Å; Y407-D476 WeakPolarHBondContact OH-CB 3.44Å; Y407-D476 VanDerWaalsContact OH-CG 3.27Å; Y407-D476 PolarHBondContact OH-OD2 2.69Å; D476-V488 HydrophobicContact CB-CB 3.89Å; D476-V488 HydrophobicContact CB-CG2 3.94Å; D476-V488 PolarHBondContact N-O 3.03Å; D476-V488 PolarHBondContact O-N 2.93Å
477	Y	92.7	Very high	93.3	Very high	47 Å²	47	41.1 Å²	41.1	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.6	174.6	169.1	-88.3	0	0	0	110.5	H453 Y460 F485 C486 T487	H453-Y477 PolarHBondContact CE1-OH 3.35Å; H453-Y477 VanDerWaalsContact CE1-OH 3.31Å; Y460-Y477 HydrophobicContact CD2-CD2 4.12Å; Y460-Y477 AromaticContact CD2-CG 3.81Å; Y460-Y477 HydrophobicContact CD2-CG 3.81Å; Y460-Y477 HydrophobicContact CE2-CG 4.12Å; Y460-Y477 HydrophobicContact CG-CD2 4.31Å; Y460-Y477 HydrophobicContact CG-CG 4.15Å; Y477-F485 HydrophobicContact CD2-CD2 4.35Å; Y477-F485 HydrophobicContact CE2-CB 4.25Å; Y477-F485 AromaticContact CE2-CD2 3.54Å; Y477-F485 HydrophobicContact CE2-CD2 3.54Å; Y477-F485 HydrophobicContact CE2-CE2 4.25Å; Y477-F485 HydrophobicContact CE2-CG 4.13Å; Y477-C486 WeakPolarHBondContact CA-O 3.29Å; Y477-T487 HydrophobicContact CD2-CG2 3.95Å
478	F	92.9	Very high	93.3	Very high	17 Å²	17	36.3 Å²	36.3	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.6	175.8	58	-90.6	0	0	0	111.6	L403 N404 Y407 L480 C486 V488	L403-F478 HydrophobicContact CB-CE2 3.98Å; L403-F478 HydrophobicContact CB-CZ 3.85Å; L403-F478 HydrophobicContact CD1-CZ 4.4Å; N404-F478 HydrophobicContact CB-CD1 4.02Å; N404-F478 HydrophobicContact CB-CD2 3.94Å; N404-F478 HydrophobicContact CB-CE1 4.01Å; N404-F478 HydrophobicContact CB-CE2 3.94Å; N404-F478 HydrophobicContact CB-CG 3.99Å; N404-F478 HydrophobicContact CB-CZ 3.97Å; Y407-F478 HydrophobicContact CD2-CD1 4.45Å; Y407-F478 AromaticContact CD2-CE1 3.5Å; Y407-F478 HydrophobicContact CD2-CE1 3.5Å; Y407-F478 AromaticContact CD2-CZ 3.91Å; Y407-F478 HydrophobicContact CD2-CZ 3.91Å; Y407-F478 HydrophobicContact CE2-CD1 4.09Å; Y407-F478 AromaticContact CE2-CE1 3.51Å; Y407-F478 HydrophobicContact CE2-CE1 3.51Å; Y407-F478 HydrophobicContact CE2-CZ 4.36Å; F478-L480 HydrophobicContact CD2-CD2 4.12Å; F478-L480 HydrophobicContact CD2-CG 4.48Å; F478-L480 HydrophobicContact CE2-CD2 3.74Å; F478-L480 HydrophobicContact CE2-CG 4.17Å; F478-C486 HydrophobicContact CD1-CB 4.38Å; F478-C486 HydrophobicContact CD2-CB 4.06Å; F478-C486 HydrophobicContact CE1-CB 3.92Å; F478-C486 HydrophobicContact CE2-CB 3.56Å; F478-C486 HydrophobicContact CG-CB 4.44Å; F478-C486 HydrophobicContact CZ-CB 3.49Å; F478-C486 VanDerWaalsContact CZ-CB 3.49Å; F478-C486 PolarHBondContact N-O 3.34Å; F478-C486 VanDerWaalsContact N-O 3.14Å; F478-C486 PolarHBondContact O-N 3.32Å; F478-V488 HydrophobicContact CD1-CG2 4.39Å; F478-V488 HydrophobicContact CE1-CG2 3.65Å
479	S	91	Very high	93.2	Very high	82 Å²	82	36.1 Å²	36.1	57%	0.573	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.5	170.5	52.8	0	0	0	0	110.7
480	L	90.6	Very high	93.2	Very high	67 Å²	67	34.3 Å²	34.3	35%	0.351	18%	0.18	S	C	.	.	S	Bend	trans	-91	-41.1	169.2	-70.5	178.7	0	0	0	111.2	F397 L403 F478 T484	F397-L480 HydrophobicContact CE1-CD1 4.1Å; F397-L480 HydrophobicContact CZ-CD1 4.13Å; L403-L480 HydrophobicContact CD1-CD1 4.2Å; L403-L480 HydrophobicContact CD2-CD1 4.21Å; L403-L480 HydrophobicContact CD2-CD2 4.14Å; F478-L480 HydrophobicContact CD2-CD2 4.12Å; F478-L480 HydrophobicContact CD2-CG 4.48Å; F478-L480 HydrophobicContact CE2-CD2 3.74Å; F478-L480 HydrophobicContact CE2-CG 4.17Å; L480-T484 HydrophobicContact CB-CG2 4.23Å; L480-T484 HydrophobicContact CD1-CG2 4Å; L480-T484 PolarHBondContact N-O 2.83Å
481	D	87.9	Confident	93.1	Very high	84 Å²	84	34.5 Å²	34.5	45%	0.449	18%	0.181	S	C	.	.	S	Bend	trans	-152.3	-168.2	175.4	61.2	41.9	0	0	0	110	D483 T484	D481-D483 VanDerWaalsContact C-N 3.29Å; D481-D483 PolarHBondContact O-N 3.31Å; D481-D483 WeakPolarHBondContact OD1-CA 3.25Å; D481-D483 PolarHBondContact OD1-N 2.87Å; D481-T484 PolarHBondContact N-O 2.93Å; D481-T484 WeakPolarHBondContact OD1-CA 3.41Å; D481-T484 WeakPolarHBondContact OD1-CB 3.49Å; D481-T484 PolarHBondContact OD1-N 3.37Å; D481-T484 PolarHBondContact OD1-OG1 2.97Å; D481-T484 PolarHBondContact OD2-OG1 3.36Å
482	T	83.1	Confident	92.9	Very high	127 Å²	127	35 Å²	35	78%	0.779	18%	0.184	S	C	*	.	S	Bend	trans	-66.4	-28.6	-179.2	54	0	0	0	0	113.6
483	D	86.6	Confident	92.5	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.102	22%	0.215	C	C	.	.	S	Bend	trans	-108.4	-3.2	-174.3	-70.3	-30.6	0	0	0	112.5	L440 K449 D481	L440-D483 HydrophobicContact CB-CB 4.18Å; L440-D483 VanDerWaalsContact CB-O 3.24Å; L440-D483 WeakPolarHBondContact CB-O 3.42Å; L440-D483 WeakPolarHBondContact CG-O 3.48Å; L440-D483 PolarHBondContact N-O 3.44Å; K449-D483 WeakPolarHBondContact CD-OD1 3.43Å; K449-D483 WeakPolarHBondContact CE-OD1 3.41Å; K449-D483 IonicContact NZ-OD1 3.88Å; K449-D483 PolarHBondContact NZ-OD1 2.95Å; K449-D483 IonicContact NZ-OD2 2.9Å; K449-D483 PolarHBondContact NZ-OD2 2.88Å; D481-D483 VanDerWaalsContact C-N 3.29Å; D481-D483 PolarHBondContact O-N 3.31Å; D481-D483 WeakPolarHBondContact OD1-CA 3.25Å; D481-D483 PolarHBondContact OD1-N 2.87Å
484	T	89.8	Confident	92.3	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125	-171.1	-46.9	0	0	0	0	111.7	I437 H438 Q439 L480 D481	I437-T484 HydrophobicContact CG2-CG2 3.72Å; H438-T484 WeakPolarHBondContact O-CA 3.49Å; H438-T484 WeakPolarHBondContact O-CG2 3.4Å; Q439-T484 HydrophobicContact CG-CG2 4.14Å; L480-T484 HydrophobicContact CB-CG2 4.23Å; L480-T484 HydrophobicContact CD1-CG2 4Å; L480-T484 PolarHBondContact N-O 2.83Å; D481-T484 PolarHBondContact N-O 2.93Å; D481-T484 WeakPolarHBondContact OD1-CA 3.41Å; D481-T484 WeakPolarHBondContact OD1-CB 3.49Å; D481-T484 PolarHBondContact OD1-N 3.37Å; D481-T484 PolarHBondContact OD1-OG1 2.97Å; D481-T484 PolarHBondContact OD2-OG1 3.36Å
485	F	90.4	Very high	92.1	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.2	173.9	66.1	-89.7	0	0	0	111.3	H438 Y452 A456 Y477	H438-F485 HydrophobicContact CB-CD1 4.07Å; H438-F485 HydrophobicContact CB-CD2 4.01Å; H438-F485 HydrophobicContact CB-CE1 3.6Å; H438-F485 HydrophobicContact CB-CE2 3.52Å; H438-F485 HydrophobicContact CB-CG 4.26Å; H438-F485 HydrophobicContact CB-CZ 3.28Å; H438-F485 AromaticContact CD2-CD2 3.82Å; H438-F485 AromaticContact CD2-CE2 3.33Å; H438-F485 WeakPolarHBondContact CD2-CE2 3.41Å; H438-F485 AromaticContact CD2-CZ 3.97Å; H438-F485 AromaticContact CE1-CE2 3.94Å; H438-F485 AromaticContact CG-CE2 3.27Å; H438-F485 AromaticContact CG-CZ 3.39Å; H438-F485 PolarHBondContact N-O 2.94Å; H438-F485 AromaticContact ND1-CE2 3.69Å; H438-F485 AromaticContact ND1-CZ 3.63Å; H438-F485 AromaticContact NE2-CE2 3.79Å; H438-F485 PolarHBondContact O-N 3.48Å; Y452-F485 HydrophobicContact CD1-CE1 4.14Å; Y452-F485 HydrophobicContact CD1-CZ 4.34Å; Y452-F485 AromaticContact CE1-CE1 3.88Å; Y452-F485 HydrophobicContact CE1-CE1 3.88Å; Y452-F485 AromaticContact CE1-CZ 3.82Å; Y452-F485 HydrophobicContact CE1-CZ 3.82Å; A456-F485 HydrophobicContact CB-CE1 3.95Å; A456-F485 HydrophobicContact CB-CE2 3.48Å; A456-F485 VanDerWaalsContact CB-CE2 3.48Å; A456-F485 HydrophobicContact CB-CZ 3.14Å; Y477-F485 HydrophobicContact CD2-CD2 4.35Å; Y477-F485 HydrophobicContact CE2-CB 4.25Å; Y477-F485 AromaticContact CE2-CD2 3.54Å; Y477-F485 HydrophobicContact CE2-CD2 3.54Å; Y477-F485 HydrophobicContact CE2-CE2 4.25Å; Y477-F485 HydrophobicContact CE2-CG 4.13Å
486	C	93.8	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.6	-174.7	-59	0	0	0	0	111	V435 K436 Y477 F478	V435-C486 HydrophobicContact CG1-CB 4.16Å; K436-C486 WeakPolarHBondContact O-CA 3.37Å; Y477-C486 WeakPolarHBondContact CA-O 3.29Å; F478-C486 HydrophobicContact CD1-CB 4.38Å; F478-C486 HydrophobicContact CD2-CB 4.06Å; F478-C486 HydrophobicContact CE1-CB 3.92Å; F478-C486 HydrophobicContact CE2-CB 3.56Å; F478-C486 HydrophobicContact CG-CB 4.44Å; F478-C486 HydrophobicContact CZ-CB 3.49Å; F478-C486 VanDerWaalsContact CZ-CB 3.49Å; F478-C486 PolarHBondContact N-O 3.34Å; F478-C486 VanDerWaalsContact N-O 3.14Å; F478-C486 PolarHBondContact O-N 3.32Å
487	T	93.4	Very high	92.2	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.9	164.1	48.4	0	0	0	0	109.2	V435 K436 H438 L474 Y477	V435-T487 WeakPolarHBondContact CA-O 3.17Å; K436-T487 WeakPolarHBondContact CB-OG1 3.15Å; K436-T487 PolarHBondContact N-O 3.31Å; K436-T487 PolarHBondContact O-N 3.49Å; H438-T487 PolarHBondContact NE2-OG1 2.87Å; L474-T487 HydrophobicContact CD1-CG2 4.41Å; Y477-T487 HydrophobicContact CD2-CG2 3.95Å
488	V	96.3	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	-179.7	-173	0	0	0	0	108.9	Y407 A433 V435 L474 Y475 D476 F478	Y407-V488 HydrophobicContact CD1-CG1 4.15Å; Y407-V488 HydrophobicContact CD1-CG2 4.49Å; Y407-V488 HydrophobicContact CD2-CG2 4.14Å; Y407-V488 HydrophobicContact CE1-CG1 3.8Å; Y407-V488 HydrophobicContact CE1-CG2 4.23Å; Y407-V488 HydrophobicContact CE2-CG2 3.84Å; Y407-V488 HydrophobicContact CG-CG2 4.45Å; A433-V488 HydrophobicContact CB-CG1 3.75Å; V435-V488 HydrophobicContact CG2-CG1 4.33Å; V435-V488 HydrophobicContact CG2-CG2 4.26Å; L474-V488 WeakPolarHBondContact CD1-O 3.4Å; Y475-V488 WeakPolarHBondContact CA-O 3.49Å; Y475-V488 HydrophobicContact CD2-CG1 4.43Å; Y475-V488 PolarHBondContact N-O 3.09Å; D476-V488 HydrophobicContact CB-CB 3.89Å; D476-V488 HydrophobicContact CB-CG2 3.94Å; D476-V488 PolarHBondContact N-O 3.03Å; D476-V488 PolarHBondContact O-N 2.93Å; F478-V488 HydrophobicContact CD1-CG2 4.39Å; F478-V488 HydrophobicContact CE1-CG2 3.65Å
489	M	96.3	Very high	92.3	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	162.8	-173.1	-61.3	171.8	-68.4	0	0	111.6	A433 A434 K436 V472 K473 L474 Y491	A433-M489 WeakPolarHBondContact CA-O 3.48Å; A434-M489 HydrophobicContact CB-CB 4.47Å; A434-M489 HydrophobicContact CB-CE 4.49Å; A434-M489 PolarHBondContact N-O 3.26Å; A434-M489 PolarHBondContact O-N 3.02Å; K436-M489 HydrophobicContact CB-CE 3.59Å; K436-M489 HydrophobicContact CD-CE 4.13Å; K436-M489 HydrophobicContact CG-CE 4.49Å; V472-M489 HydrophobicContact CG1-CB 3.88Å; K473-M489 CarbonylContact O-C 3.49Å; K473-M489 VanDerWaalsContact O-CA 3.29Å; K473-M489 WeakPolarHBondContact O-CA 3.36Å; L474-M489 HydrophobicContact CD1-CG 3.84Å; M489-Y491 PolarHBondContact O-N 3.44Å
490	E	96.5	Very high	92.4	Very high	37 Å²	37	38.2 Å²	38.2	17%	0.173	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	127.6	165.8	178	-178.3	-163.6	0	0	110.7	V472 K473 Y475 K555	V472-E490 HydrophobicContact CG1-CB 3.99Å; K473-E490 HydrophobicContact CB-CB 4.17Å; K473-E490 PolarHBondContact N-OE2 2.92Å; K473-E490 VanDerWaalsContact N-OE2 3.13Å; K473-E490 PolarHBondContact O-N 3.4Å; Y475-E490 HydrophobicContact CE2-CB 4.18Å; E490-K555 WeakPolarHBondContact OE1-CE 3.11Å; E490-K555 IonicContact OE1-NZ 3.7Å; E490-K555 PolarHBondContact OE1-NZ 3.47Å; E490-K555 IonicContact OE2-NZ 3.86Å; E490-K555 PolarHBondContact OE2-NZ 3.46Å
491	Y	96.3	Very high	92.5	Very high	42 Å²	42	35.5 Å²	35.5	17%	0.165	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-82.6	121.7	174	175.1	-116.7	0	0	0	110	L413 K423 Y432 M489 E493	L413-Y491 HydrophobicContact CD1-CD2 4.1Å; L413-Y491 HydrophobicContact CD1-CE2 3.9Å; L413-Y491 HydrophobicContact CD2-CE2 4.15Å; K423-Y491 HydrophobicContact CD-CE1 4.12Å; K423-Y491 HydrophobicContact CD-CE2 4.14Å; K423-Y491 VanDerWaalsContact CE-CE1 3.42Å; K423-Y491 HydrophobicContact CG-CD2 4.34Å; K423-Y491 HydrophobicContact CG-CE1 4.46Å; K423-Y491 HydrophobicContact CG-CE2 4.07Å; K423-Y491 PolarHBondContact NZ-OH 3.34Å; Y432-Y491 HydrophobicContact CG-CD1 4.48Å; M489-Y491 PolarHBondContact O-N 3.44Å; Y491-E493 HydrophobicContact CD1-CG 4.4Å; Y491-E493 HydrophobicContact CE1-CG 3.85Å
492	C	94.6	Very high	92.6	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.081	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-99.8	131.4	169.2	-60.7	0	0	0	0	108.6	L544	C492-L544 HydrophobicContact CB-CB 4.23Å; C492-L544 HydrophobicContact CB-CD1 3.91Å
493	E	89.8	Confident	92.8	Very high	142 Å²	142	30.4 Å²	30.4	66%	0.664	15%	0.151	S	C	*	.	S	Bend	trans	-73.6	-39.9	-174.5	-61.7	-162.9	154.9	0	0	112.8	Y491	Y491-E493 HydrophobicContact CD1-CG 4.4Å; Y491-E493 HydrophobicContact CE1-CG 3.85Å
494	G	90.5	Very high	92.9	Very high	17 Å²	17	34.6 Å²	34.6	18%	0.175	17%	0.169	C	C	.	.	S	Bend	trans	-77.5	172	179.3	0	0	0	0	0	114.3	L545 V546	G494-L545 CarbonylContact C-O 3.57Å; G494-L545 WeakPolarHBondContact CA-O 3.44Å; G494-V546 PolarHBondContact N-O 3.36Å
495	N	91.7	Very high	92.8	Very high	84 Å²	84	39 Å²	39	45%	0.449	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-85.1	172.4	-177.8	-69.2	-62.7	0	0	0	112.3	F499 L545	N495-F499 HydrophobicContact CB-CB 3.86Å; N495-F499 HydrophobicContact CB-CD1 3.66Å; N495-F499 HydrophobicContact CB-CD2 4.26Å; N495-F499 HydrophobicContact CB-CE1 4.29Å; N495-F499 HydrophobicContact CB-CG 3.69Å; N495-F499 WeakPolarHBondContact ND2-CE1 3.33Å; N495-L545 WeakPolarHBondContact O-CB 3.33Å; N495-L545 PolarHBondContact O-N 3.47Å
496	D	95.1	Very high	93	Very high	34 Å²	34	42 Å²	42	18%	0.182	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-72.2	161.4	171.1	61.5	72.9	0	0	0	113.4	D498 F499 Y500 I543 L544	D496-D498 VanDerWaalsContact C-N 3.27Å; D496-D498 PolarHBondContact O-N 3.38Å; D496-D498 WeakPolarHBondContact OD1-CA 3.42Å; D496-D498 VanDerWaalsContact OD1-CB 3.28Å; D496-D498 WeakPolarHBondContact OD1-CB 3.37Å; D496-D498 PolarHBondContact OD1-N 3.37Å; D496-D498 VanDerWaalsContact OD1-N 3.14Å; D496-F499 WeakPolarHBondContact O-CB 3.15Å; D496-F499 PolarHBondContact O-N 2.86Å; D496-F499 WeakPolarHBondContact OD1-CB 3.41Å; D496-F499 PolarHBondContact OD1-N 2.96Å; D496-Y500 PolarHBondContact O-N 2.92Å; D496-Y500 VanDerWaalsContact O-N 3.09Å; D496-I543 CarbonylContact C-O 3.47Å; D496-I543 VanDerWaalsContact CA-O 3.29Å; D496-I543 WeakPolarHBondContact CA-O 3.5Å; D496-L544 HydrophobicContact CB-CD2 4.05Å
497	L	96.9	Very high	93	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-28.2	179.8	179	63.4	0	0	0	112.3	Y500 L501 M507 I515 P540 I543 L545 I614	L497-Y500 PolarHBondContact O-N 2.89Å; L497-L501 HydrophobicContact CD1-CD1 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.26Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 HydrophobicContact CG-CG 4.42Å; L497-L501 WeakPolarHBondContact O-CB 3.22Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.36Å; L497-L501 PolarHBondContact O-N 2.83Å; L497-M507 HydrophobicContact CD1-CE 3.49Å; L497-M507 VanDerWaalsContact CD1-CE 3.49Å; L497-I515 HydrophobicContact CD1-CD1 3.89Å; L497-I515 HydrophobicContact CD2-CG2 4.21Å; L497-P540 HydrophobicContact CB-CB 4.02Å; L497-P540 WeakPolarHBondContact CB-O 3.46Å; L497-P540 HydrophobicContact CD2-CB 4.2Å; L497-P540 HydrophobicContact CG-CB 3.98Å; L497-P540 PolarHBondContact N-O 2.79Å; L497-P540 VanDerWaalsContact N-O 3.16Å; L497-I543 HydrophobicContact CB-CB 4.04Å; L497-I543 HydrophobicContact CB-CG2 4.18Å; L497-I543 HydrophobicContact CD2-CB 4.34Å; L497-I543 HydrophobicContact CD2-CD1 3.91Å; L497-I543 HydrophobicContact CD2-CG2 4.24Å; L497-I543 PolarHBondContact N-O 3.32Å; L497-L545 HydrophobicContact CD1-CD2 4.47Å; L497-I614 HydrophobicContact CD2-CG2 4.06Å
498	D	94.7	Very high	93.2	Very high	38 Å²	38	45 Å²	45	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-44.4	173.7	-179	58.5	0	0	0	111	D496 Y500 L501 K502 P540	D496-D498 VanDerWaalsContact C-N 3.27Å; D496-D498 PolarHBondContact O-N 3.38Å; D496-D498 WeakPolarHBondContact OD1-CA 3.42Å; D496-D498 VanDerWaalsContact OD1-CB 3.28Å; D496-D498 WeakPolarHBondContact OD1-CB 3.37Å; D496-D498 PolarHBondContact OD1-N 3.37Å; D496-D498 VanDerWaalsContact OD1-N 3.14Å; D498-Y500 VanDerWaalsContact C-N 3.33Å; D498-Y500 PolarHBondContact O-N 3.44Å; D498-L501 PolarHBondContact O-N 2.95Å; D498-K502 WeakPolarHBondContact O-CG 3.49Å; D498-K502 PolarHBondContact O-N 2.84Å; D498-K502 IonicContact OD1-NZ 3.37Å; D498-K502 VanDerWaalsContact OD2-CE 3.25Å; D498-K502 WeakPolarHBondContact OD2-CE 3.31Å; D498-K502 IonicContact OD2-NZ 3.59Å; D498-K502 PolarHBondContact OD2-NZ 2.91Å; D498-P540 HydrophobicContact CB-CB 3.88Å; D498-P540 PolarHBondContact N-O 3Å
499	F	92.1	Very high	93.2	Very high	36 Å²	36	47.6 Å²	47.6	16%	0.158	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-48.2	172.3	-179.6	-74.5	0	0	0	110.5	L381 N495 D496 L501 K502 Q503	L381-F499 HydrophobicContact CD2-CE1 4.08Å; L381-F499 HydrophobicContact CD2-CE2 3.64Å; L381-F499 HydrophobicContact CD2-CZ 3.18Å; N495-F499 HydrophobicContact CB-CB 3.86Å; N495-F499 HydrophobicContact CB-CD1 3.66Å; N495-F499 HydrophobicContact CB-CD2 4.26Å; N495-F499 HydrophobicContact CB-CE1 4.29Å; N495-F499 HydrophobicContact CB-CG 3.69Å; N495-F499 WeakPolarHBondContact ND2-CE1 3.33Å; D496-F499 WeakPolarHBondContact O-CB 3.15Å; D496-F499 PolarHBondContact O-N 2.86Å; D496-F499 WeakPolarHBondContact OD1-CB 3.41Å; D496-F499 PolarHBondContact OD1-N 2.96Å; F499-L501 PolarHBondContact O-N 2.76Å; F499-K502 PolarHBondContact O-N 3.23Å; F499-Q503 HydrophobicContact CD1-CG 4.12Å; F499-Q503 HydrophobicContact CE1-CG 3.76Å; F499-Q503 HydrophobicContact CZ-CG 4.32Å; F499-Q503 WeakPolarHBondContact O-CG 3.47Å; F499-Q503 PolarHBondContact O-N 3.02Å
500	Y	93.9	Very high	93.2	Very high	31 Å²	31	55.5 Å²	55.5	12%	0.122	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-48.1	179.5	-173.6	-84.8	0	0	0	111.7	D496 L497 D498 K502 Q503 H504 M507 L545 A550	D496-Y500 PolarHBondContact O-N 2.92Å; D496-Y500 VanDerWaalsContact O-N 3.09Å; L497-Y500 PolarHBondContact O-N 2.89Å; D498-Y500 VanDerWaalsContact C-N 3.33Å; D498-Y500 PolarHBondContact O-N 3.44Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.06Å; Y500-Q503 PolarHBondContact O-N 2.96Å; Y500-Q503 VanDerWaalsContact O-N 3.07Å; Y500-H504 HydrophobicContact CD1-CB 4.35Å; Y500-H504 AromaticContact CD1-CD2 3.89Å; Y500-H504 AromaticContact CD2-CD2 3.63Å; Y500-H504 HydrophobicContact CE1-CB 3.92Å; Y500-H504 AromaticContact CE1-CD2 3.69Å; Y500-H504 AromaticContact CE1-CG 3.92Å; Y500-H504 AromaticContact CE2-CD2 3.42Å; Y500-H504 VanDerWaalsContact CE2-CD2 3.42Å; Y500-H504 WeakPolarHBondContact CE2-CD2 3.37Å; Y500-H504 AromaticContact CE2-NE2 3.63Å; Y500-H504 AromaticContact CG-CD2 3.85Å; Y500-H504 AromaticContact CZ-CD2 3.45Å; Y500-H504 VanDerWaalsContact CZ-CD2 3.45Å; Y500-H504 AromaticContact CZ-CG 3.83Å; Y500-H504 AromaticContact CZ-NE2 3.96Å; Y500-H504 PolarHBondContact O-CD2 2.76Å; Y500-H504 VanDerWaalsContact O-CD2 3.3Å; Y500-H504 PolarHBondContact O-N 2.65Å; Y500-M507 HydrophobicContact CD1-CE 3.76Å; Y500-M507 HydrophobicContact CE1-CB 4.4Å; Y500-M507 HydrophobicContact CE1-CE 3.77Å; Y500-L545 HydrophobicContact CD2-CD1 3.57Å; Y500-L545 HydrophobicContact CE2-CD1 4.42Å; Y500-L545 HydrophobicContact CG-CD1 3.69Å; Y500-A550 HydrophobicContact CE1-CB 3.96Å; Y500-A550 HydrophobicContact CE2-CB 4.17Å
501	L	93.3	Very high	93.2	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-33.7	179.6	-69.4	171.6	0	0	0	112.8	L497 D498 F499 Q503 K505 M507 P540 Q617	L497-L501 HydrophobicContact CD1-CD1 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.26Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 HydrophobicContact CG-CG 4.42Å; L497-L501 WeakPolarHBondContact O-CB 3.22Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.36Å; L497-L501 PolarHBondContact O-N 2.83Å; D498-L501 PolarHBondContact O-N 2.95Å; F499-L501 PolarHBondContact O-N 2.76Å; L501-Q503 VanDerWaalsContact C-N 3.25Å; L501-Q503 PolarHBondContact O-N 3.23Å; L501-K505 WeakPolarHBondContact O-CA 3.24Å; L501-K505 PolarHBondContact O-N 3.47Å; L501-M507 HydrophobicContact CD2-CE 3.95Å; L501-P540 HydrophobicContact CD1-CB 4.35Å; L501-P540 HydrophobicContact CD1-CG 4.33Å; L501-Q617 HydrophobicContact CD1-CG 4.1Å
502	K	89.1	Confident	93.3	Very high	81 Å²	81	54.4 Å²	54.4	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-29.8	172.4	-76.7	168.7	174.5	166.7	0	112.8	S50 D498 F499 Y500	S50-K502 PolarHBondContact O-NZ 3.1Å; S50-K502 VanDerWaalsContact O-NZ 3.15Å; D498-K502 WeakPolarHBondContact O-CG 3.49Å; D498-K502 PolarHBondContact O-N 2.84Å; D498-K502 IonicContact OD1-NZ 3.37Å; D498-K502 VanDerWaalsContact OD2-CE 3.25Å; D498-K502 WeakPolarHBondContact OD2-CE 3.31Å; D498-K502 IonicContact OD2-NZ 3.59Å; D498-K502 PolarHBondContact OD2-NZ 2.91Å; F499-K502 PolarHBondContact O-N 3.23Å; Y500-K502 VanDerWaalsContact C-N 3.33Å; Y500-K502 PolarHBondContact O-N 3.06Å
503	Q	87.8	Confident	93.4	Very high	23 Å²	23	56.3 Å²	56.3	11%	0.107	27%	0.272	C	S	.	.	H	α-helix	trans	-83.8	-46	177.4	-66.5	-54	-54.2	0	0	112.5	R377 L381 F499 Y500 L501	R377-Q503 WeakPolarHBondContact CD-O 3.28Å; R377-Q503 PolarHBondContact NE-O 2.98Å; L381-Q503 VanDerWaalsContact CD2-CD 3.44Å; L381-Q503 HydrophobicContact CD2-CG 4.15Å; F499-Q503 HydrophobicContact CD1-CG 4.12Å; F499-Q503 HydrophobicContact CE1-CG 3.76Å; F499-Q503 HydrophobicContact CZ-CG 4.32Å; F499-Q503 WeakPolarHBondContact O-CG 3.47Å; F499-Q503 PolarHBondContact O-N 3.02Å; Y500-Q503 PolarHBondContact O-N 2.96Å; Y500-Q503 VanDerWaalsContact O-N 3.07Å; L501-Q503 VanDerWaalsContact C-N 3.25Å; L501-Q503 PolarHBondContact O-N 3.23Å
504	H	89.1	Confident	93.7	Very high	106 Å²	106	51.5 Å²	51.5	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-97.5	-6.1	-170.7	-63.5	-79.1	0	0	0	114	Y500 L506	Y500-H504 HydrophobicContact CD1-CB 4.35Å; Y500-H504 AromaticContact CD1-CD2 3.89Å; Y500-H504 AromaticContact CD2-CD2 3.63Å; Y500-H504 HydrophobicContact CE1-CB 3.92Å; Y500-H504 AromaticContact CE1-CD2 3.69Å; Y500-H504 AromaticContact CE1-CG 3.92Å; Y500-H504 AromaticContact CE2-CD2 3.42Å; Y500-H504 VanDerWaalsContact CE2-CD2 3.42Å; Y500-H504 WeakPolarHBondContact CE2-CD2 3.37Å; Y500-H504 AromaticContact CE2-NE2 3.63Å; Y500-H504 AromaticContact CG-CD2 3.85Å; Y500-H504 AromaticContact CZ-CD2 3.45Å; Y500-H504 VanDerWaalsContact CZ-CD2 3.45Å; Y500-H504 AromaticContact CZ-CG 3.83Å; Y500-H504 AromaticContact CZ-NE2 3.96Å; Y500-H504 PolarHBondContact O-CD2 2.76Å; Y500-H504 VanDerWaalsContact O-CD2 3.3Å; Y500-H504 PolarHBondContact O-N 2.65Å; H504-L506 PolarHBondContact O-N 2.97Å
505	K	88.1	Confident	94	Very high	103 Å²	103	50.7 Å²	50.7	45%	0.448	25%	0.245	S	C	.	.	S	Bend	trans	64.3	-55	-170.5	-64.9	-178.2	172.9	173.1	0	113.4	E373 L501 G621	E373-K505 IonicContact OE1-NZ 3.67Å; E373-K505 PolarHBondContact OE1-NZ 2.69Å; E373-K505 IonicContact OE2-NZ 3.62Å; E373-K505 PolarHBondContact OE2-NZ 3.11Å; L501-K505 WeakPolarHBondContact O-CA 3.24Å; L501-K505 PolarHBondContact O-N 3.47Å; K505-G621 WeakPolarHBondContact O-CA 3.24Å
506	L	92.8	Very high	94.4	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.356	22%	0.224	S	C	.	.			trans	-148.4	174	-179.6	59.1	82.2	0	0	0	109.9	H504 C618 P652	H504-L506 PolarHBondContact O-N 2.97Å; L506-C618 WeakPolarHBondContact CA-O 3.45Å; L506-C618 WeakPolarHBondContact CB-O 3.4Å; L506-P652 HydrophobicContact CD2-CG 4.1Å
507	M	95.6	Very high	94.5	Very high	9 Å²	9	48 Å²	48	4%	0.044	23%	0.23	C	C	.	.			trans	-133.7	168.7	176	64.7	-179.9	70	0	0	111.6	L497 Y500 L501 E511 A512 I515 A550 C618	L497-M507 HydrophobicContact CD1-CE 3.49Å; L497-M507 VanDerWaalsContact CD1-CE 3.49Å; Y500-M507 HydrophobicContact CD1-CE 3.76Å; Y500-M507 HydrophobicContact CE1-CB 4.4Å; Y500-M507 HydrophobicContact CE1-CE 3.77Å; L501-M507 HydrophobicContact CD2-CE 3.95Å; M507-E511 HydrophobicContact CB-CB 4.29Å; M507-E511 HydrophobicContact CG-CB 4.31Å; M507-E511 HydrophobicContact SD-CB 3.99Å; M507-A512 HydrophobicContact CG-CB 3.9Å; M507-A512 HydrophobicContact SD-CB 3.96Å; M507-I515 HydrophobicContact CE-CD1 3.8Å; M507-I515 HydrophobicContact SD-CD1 3.68Å; M507-A550 HydrophobicContact CE-CB 4.23Å; M507-A550 HydrophobicContact SD-CB 4.22Å; M507-C618 HydrophobicContact CE-CB 4.3Å; M507-C618 HydrophobicContact CG-CB 3.93Å; M507-C618 PolarHBondContact N-O 3.48Å; M507-C618 HydrophobicContact SD-CB 4.01Å
508	S	96.6	Very high	94.5	Very high	57 Å²	57	49.3 Å²	49.3	40%	0.399	24%	0.236	S	C	.	.			trans	-66.3	154.4	178	70.3	0	0	0	0	111.7	K510 E511 A512	S508-K510 PolarHBondContact O-N 3.29Å; S508-E511 VanDerWaalsContact CB-OE2 3.28Å; S508-E511 WeakPolarHBondContact CB-OE2 3.21Å; S508-E511 PolarHBondContact N-OE2 3.11Å; S508-E511 PolarHBondContact O-N 3.01Å; S508-E511 VanDerWaalsContact O-N 3.16Å; S508-E511 VanDerWaalsContact OG-CD 3.23Å; S508-E511 VanDerWaalsContact OG-CG 3.26Å; S508-E511 WeakPolarHBondContact OG-CG 3.28Å; S508-E511 PolarHBondContact OG-N 3.06Å; S508-E511 PolarHBondContact OG-OE2 3.45Å; S508-A512 WeakPolarHBondContact O-CB 3.42Å; S508-A512 PolarHBondContact O-N 2.85Å
509	E	96.8	Very high	94.7	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-56.9	-35.7	177	-174.3	178.5	137	0	0	112.4	R513 L619 S655 A658 Y684	E509-R513 WeakPolarHBondContact O-CB 3.48Å; E509-R513 PolarHBondContact O-N 2.97Å; E509-L619 HydrophobicContact CB-CD2 3.94Å; E509-L619 HydrophobicContact CG-CD2 4.15Å; E509-S655 VanDerWaalsContact OE1-CB 3.26Å; E509-S655 WeakPolarHBondContact OE1-CB 3.37Å; E509-S655 PolarHBondContact OE1-OG 3.25Å; E509-S655 PolarHBondContact OE2-N 3.31Å; E509-S655 PolarHBondContact OE2-OG 2.75Å; E509-A658 HydrophobicContact CG-CB 4.37Å; E509-Y684 WeakPolarHBondContact CG-OH 3.44Å; E509-Y684 PolarHBondContact OE1-OH 3.24Å
510	K	95.7	Very high	95	Very high	180 Å²	180	46 Å²	46	78%	0.783	22%	0.22	S	C	*	.	H	α-helix	trans	-66.2	-44.2	178.3	-172.3	-179.6	177.8	-175.1	0	112.2	S508 S514	S508-K510 PolarHBondContact O-N 3.29Å; K510-S514 PolarHBondContact O-N 2.84Å
511	E	96.4	Very high	95.2	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-48.7	176.3	-70.7	162	138.1	0	0	110.7	M507 S508 R513 S514 I515 A550	M507-E511 HydrophobicContact CB-CB 4.29Å; M507-E511 HydrophobicContact CG-CB 4.31Å; M507-E511 HydrophobicContact SD-CB 3.99Å; S508-E511 VanDerWaalsContact CB-OE2 3.28Å; S508-E511 WeakPolarHBondContact CB-OE2 3.21Å; S508-E511 PolarHBondContact N-OE2 3.11Å; S508-E511 PolarHBondContact O-N 3.01Å; S508-E511 VanDerWaalsContact O-N 3.16Å; S508-E511 VanDerWaalsContact OG-CD 3.23Å; S508-E511 VanDerWaalsContact OG-CG 3.26Å; S508-E511 WeakPolarHBondContact OG-CG 3.28Å; S508-E511 PolarHBondContact OG-N 3.06Å; S508-E511 PolarHBondContact OG-OE2 3.45Å; E511-R513 VanDerWaalsContact C-N 3.29Å; E511-R513 PolarHBondContact O-N 3.38Å; E511-S514 VanDerWaalsContact O-CB 3.3Å; E511-S514 WeakPolarHBondContact O-CB 3.36Å; E511-S514 PolarHBondContact O-N 3.4Å; E511-I515 PolarHBondContact O-N 2.95Å; E511-A550 HydrophobicContact CB-CB 4.1Å; E511-A550 HydrophobicContact CG-CB 4.31Å
512	A	97.8	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-42.5	178.3	0	0	0	0	0	111.6	M507 S508 I515 V516 F615 C618 L619	M507-A512 HydrophobicContact CG-CB 3.9Å; M507-A512 HydrophobicContact SD-CB 3.96Å; S508-A512 WeakPolarHBondContact O-CB 3.42Å; S508-A512 PolarHBondContact O-N 2.85Å; A512-I515 PolarHBondContact O-N 3.06Å; A512-V516 VanDerWaalsContact O-CG2 3.32Å; A512-V516 WeakPolarHBondContact O-CG2 3.44Å; A512-V516 PolarHBondContact O-N 3.16Å; A512-F615 HydrophobicContact CB-CD2 3.85Å; A512-F615 HydrophobicContact CB-CE2 3.62Å; A512-C618 HydrophobicContact CB-CB 3.71Å; A512-L619 HydrophobicContact CB-CD2 3.77Å; A512-L619 HydrophobicContact CB-CG 4.33Å
513	R	97.3	Very high	95.9	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-42.7	174.5	-177.5	-178.6	178.9	-83	-0.6	112	E509 E511 I515 V516 M517 Y684 L685 L686	E509-R513 WeakPolarHBondContact O-CB 3.48Å; E509-R513 PolarHBondContact O-N 2.97Å; E511-R513 VanDerWaalsContact C-N 3.29Å; E511-R513 PolarHBondContact O-N 3.38Å; R513-I515 VanDerWaalsContact C-N 3.33Å; R513-I515 PolarHBondContact O-N 3.31Å; R513-V516 PolarHBondContact O-N 2.93Å; R513-M517 HydrophobicContact CG-CG 4.49Å; R513-M517 HydrophobicContact CG-SD 4.38Å; R513-M517 PolarHBondContact NH1-SD 3.43Å; R513-M517 VanDerWaalsContact O-CG 3.31Å; R513-M517 WeakPolarHBondContact O-CG 3.34Å; R513-M517 PolarHBondContact O-N 2.93Å; R513-Y684 HydrophobicContact CB-CE1 4.39Å; R513-Y684 HydrophobicContact CG-CE1 3.96Å; R513-Y684 PolarHBondContact NE-O 2.85Å; R513-Y684 PolarHBondContact NH2-O 3.46Å; R513-L685 PolarHBondContact NH2-O 2.87Å; R513-L685 VanDerWaalsContact NH2-O 3.11Å; R513-L686 PolarHBondContact NH2-O 3.01Å
514	S	96.3	Very high	96.4	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-57.7	-46.1	176.9	-174.2	0	0	0	0	111.7	K510 E511 M517 Q518	K510-S514 PolarHBondContact O-N 2.84Å; E511-S514 VanDerWaalsContact O-CB 3.3Å; E511-S514 WeakPolarHBondContact O-CB 3.36Å; E511-S514 PolarHBondContact O-N 3.4Å; S514-M517 PolarHBondContact O-N 3.29Å; S514-Q518 WeakPolarHBondContact O-CG 3.42Å; S514-Q518 PolarHBondContact O-N 3.43Å
515	I	97.9	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-48.5	177.4	-66.5	177.1	0	0	0	110.6	L497 M507 E511 A512 R513 M517 Q518 I519 I543 L545 A550 I554	L497-I515 HydrophobicContact CD1-CD1 3.89Å; L497-I515 HydrophobicContact CD2-CG2 4.21Å; M507-I515 HydrophobicContact CE-CD1 3.8Å; M507-I515 HydrophobicContact SD-CD1 3.68Å; E511-I515 PolarHBondContact O-N 2.95Å; A512-I515 PolarHBondContact O-N 3.06Å; R513-I515 VanDerWaalsContact C-N 3.33Å; R513-I515 PolarHBondContact O-N 3.31Å; I515-M517 VanDerWaalsContact C-N 3.34Å; I515-M517 PolarHBondContact O-N 3.25Å; I515-Q518 PolarHBondContact O-N 2.78Å; I515-Q518 VanDerWaalsContact O-N 3.15Å; I515-I519 HydrophobicContact CG2-CD1 3.68Å; I515-I519 HydrophobicContact CG2-CG1 4.35Å; I515-I519 WeakPolarHBondContact O-CG1 3.37Å; I515-I519 PolarHBondContact O-N 3.37Å; I515-I543 HydrophobicContact CG2-CG2 4.49Å; I515-L545 HydrophobicContact CD1-CD2 4.24Å; I515-A550 HydrophobicContact CD1-CB 4.23Å; I515-I554 HydrophobicContact CG1-CG2 4.15Å; I515-I554 HydrophobicContact CG2-CG2 4.41Å
516	V	98.3	Very high	97.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-42	-179.9	170.4	0	0	0	0	112	A512 R513 Q518 I519 V520 V611 F615 F661 L685	A512-V516 VanDerWaalsContact O-CG2 3.32Å; A512-V516 WeakPolarHBondContact O-CG2 3.44Å; A512-V516 PolarHBondContact O-N 3.16Å; R513-V516 PolarHBondContact O-N 2.93Å; V516-Q518 VanDerWaalsContact C-N 3.28Å; V516-Q518 PolarHBondContact O-N 2.77Å; V516-I519 PolarHBondContact O-N 3.25Å; V516-V520 HydrophobicContact CG1-CG2 4.11Å; V516-V520 WeakPolarHBondContact O-CB 3.44Å; V516-V520 VanDerWaalsContact O-CG2 3.29Å; V516-V520 WeakPolarHBondContact O-CG2 3.34Å; V516-V520 PolarHBondContact O-N 2.85Å; V516-V611 HydrophobicContact CG1-CG1 3.83Å; V516-F615 HydrophobicContact CG2-CB 3.69Å; V516-F615 HydrophobicContact CG2-CD2 3.58Å; V516-F615 HydrophobicContact CG2-CE2 4.44Å; V516-F615 HydrophobicContact CG2-CG 3.75Å; V516-F661 HydrophobicContact CG1-CE1 3.98Å; V516-F661 HydrophobicContact CG1-CZ 3.85Å; V516-L685 HydrophobicContact CG1-CD1 4.45Å; V516-L685 HydrophobicContact CG1-CD2 3.93Å
517	M	97.5	Very high	97.4	Very high	62 Å²	62	37 Å²	37	31%	0.305	18%	0.181	S	C	.	.	H	α-helix	trans	-57.1	-43.8	175.7	-75.1	178	65.1	0	0	111.9	R513 S514 I515 V520 N521 L685	R513-M517 HydrophobicContact CG-CG 4.49Å; R513-M517 HydrophobicContact CG-SD 4.38Å; R513-M517 PolarHBondContact NH1-SD 3.43Å; R513-M517 VanDerWaalsContact O-CG 3.31Å; R513-M517 WeakPolarHBondContact O-CG 3.34Å; R513-M517 PolarHBondContact O-N 2.93Å; S514-M517 PolarHBondContact O-N 3.29Å; I515-M517 VanDerWaalsContact C-N 3.34Å; I515-M517 PolarHBondContact O-N 3.25Å; M517-V520 PolarHBondContact O-N 3.26Å; M517-N521 WeakPolarHBondContact O-CB 3.18Å; M517-N521 PolarHBondContact O-N 3.1Å; M517-L685 VanDerWaalsContact CE-O 3.24Å; M517-L685 WeakPolarHBondContact CE-O 3.48Å; M517-L685 HydrophobicContact CG-CB 4.15Å; M517-L685 HydrophobicContact CG-CD2 3.89Å
518	Q	98.2	Very high	97.3	Very high	26 Å²	26	42 Å²	42	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-38.7	179	-68.4	-179	72.5	0	0	112.3	R470 S514 I515 V516 N521 A522 G552 I554	R470-Q518 HydrophobicContact CG-CB 4.35Å; S514-Q518 WeakPolarHBondContact O-CG 3.42Å; S514-Q518 PolarHBondContact O-N 3.43Å; I515-Q518 PolarHBondContact O-N 2.78Å; I515-Q518 VanDerWaalsContact O-N 3.15Å; V516-Q518 VanDerWaalsContact C-N 3.28Å; V516-Q518 PolarHBondContact O-N 2.77Å; Q518-N521 PolarHBondContact O-N 2.86Å; Q518-A522 PolarHBondContact O-N 2.85Å; Q518-G552 PolarHBondContact NE2-O 2.9Å; Q518-G552 VanDerWaalsContact NE2-O 3.08Å; Q518-I554 HydrophobicContact CB-CD1 3.77Å; Q518-I554 HydrophobicContact CB-CG1 3.44Å; Q518-I554 VanDerWaalsContact CB-CG1 3.44Å; Q518-I554 HydrophobicContact CG-CG1 4.28Å
519	I	98.6	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-48.9	174.8	-66.3	164.2	0	0	0	110.4	I515 V516 N521 A522 L523 L538 I543 I554 I556 V611 I614	I515-I519 HydrophobicContact CG2-CD1 3.68Å; I515-I519 HydrophobicContact CG2-CG1 4.35Å; I515-I519 WeakPolarHBondContact O-CG1 3.37Å; I515-I519 PolarHBondContact O-N 3.37Å; V516-I519 PolarHBondContact O-N 3.25Å; I519-N521 VanDerWaalsContact C-N 3.27Å; I519-N521 PolarHBondContact O-N 2.59Å; I519-A522 WeakPolarHBondContact O-CB 3.03Å; I519-A522 PolarHBondContact O-N 2.84Å; I519-A522 VanDerWaalsContact O-N 3.11Å; I519-L523 HydrophobicContact CG2-CD1 4.21Å; I519-L523 HydrophobicContact CG2-CG 4.4Å; I519-L523 WeakPolarHBondContact O-CG 3.5Å; I519-L523 PolarHBondContact O-N 2.76Å; I519-L538 HydrophobicContact CG2-CD1 4.17Å; I519-I543 HydrophobicContact CD1-CD1 3.49Å; I519-I543 VanDerWaalsContact CD1-CD1 3.49Å; I519-I543 HydrophobicContact CD1-CG1 4.23Å; I519-I543 HydrophobicContact CG1-CD1 4.26Å; I519-I554 HydrophobicContact CG1-CD1 3.92Å; I519-I556 HydrophobicContact CB-CD1 4.48Å; I519-I556 HydrophobicContact CG2-CD1 4.04Å; I519-V611 HydrophobicContact CG2-CG2 3.79Å; I519-I614 HydrophobicContact CD1-CG2 4.4Å
520	V	98.4	Very high	96.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-35.5	-179	173.4	0	0	0	0	111.1	V516 M517 L523 K524 V611 L679 L685	V516-V520 HydrophobicContact CG1-CG2 4.11Å; V516-V520 WeakPolarHBondContact O-CB 3.44Å; V516-V520 VanDerWaalsContact O-CG2 3.29Å; V516-V520 WeakPolarHBondContact O-CG2 3.34Å; V516-V520 PolarHBondContact O-N 2.85Å; M517-V520 PolarHBondContact O-N 3.26Å; V520-L523 PolarHBondContact O-N 3.28Å; V520-K524 WeakPolarHBondContact O-CB 3.37Å; V520-K524 PolarHBondContact O-N 2.75Å; V520-V611 HydrophobicContact CG2-CG1 4.2Å; V520-L679 HydrophobicContact CG1-CD2 4.38Å; V520-L679 HydrophobicContact CG1-CG 4.24Å; V520-L679 HydrophobicContact CG2-CD2 3.67Å; V520-L679 HydrophobicContact CG2-CG 4.07Å; V520-L685 HydrophobicContact CB-CD1 4.13Å; V520-L685 HydrophobicContact CG1-CD1 4.09Å; V520-L685 HydrophobicContact CG2-CD1 3.89Å
521	N	98.1	Very high	96.6	Very high	82 Å²	82	42.1 Å²	42.1	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-42.1	173.9	-165.5	23	0	0	0	112.2	M517 Q518 I519 K524 Y525	M517-N521 WeakPolarHBondContact O-CB 3.18Å; M517-N521 PolarHBondContact O-N 3.1Å; Q518-N521 PolarHBondContact O-N 2.86Å; I519-N521 VanDerWaalsContact C-N 3.27Å; I519-N521 PolarHBondContact O-N 2.59Å; N521-K524 PolarHBondContact O-N 2.88Å; N521-Y525 PolarHBondContact O-N 2.91Å; N521-Y525 VanDerWaalsContact O-N 3.12Å
522	A	98.4	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-42.4	173.7	0	0	0	0	0	112.3	R470 I471 Q518 I519 Y525 L526 I556	R470-A522 HydrophobicContact CB-CB 3.9Å; I471-A522 HydrophobicContact CG1-CB 4.11Å; Q518-A522 PolarHBondContact O-N 2.85Å; I519-A522 WeakPolarHBondContact O-CB 3.03Å; I519-A522 PolarHBondContact O-N 2.84Å; I519-A522 VanDerWaalsContact O-N 3.11Å; A522-Y525 WeakPolarHBondContact O-CB 3.3Å; A522-Y525 PolarHBondContact O-N 3.4Å; A522-L526 WeakPolarHBondContact O-CG 3.2Å; A522-L526 PolarHBondContact O-N 2.83Å; A522-I556 HydrophobicContact CB-CD1 3.55Å; A522-I556 HydrophobicContact CB-CG1 4.37Å
523	L	98.3	Very high	96.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-38.7	177.5	-71.4	-178.8	0	0	0	112.3	I519 V520 Y525 L526 N527 L538 D607 V611 V676	I519-L523 HydrophobicContact CG2-CD1 4.21Å; I519-L523 HydrophobicContact CG2-CG 4.4Å; I519-L523 WeakPolarHBondContact O-CG 3.5Å; I519-L523 PolarHBondContact O-N 2.76Å; V520-L523 PolarHBondContact O-N 3.28Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; L523-L526 HydrophobicContact CD2-CD1 4.18Å; L523-L526 PolarHBondContact O-N 2.93Å; L523-N527 PolarHBondContact O-N 2.79Å; L523-L538 HydrophobicContact CD1-CD1 3.83Å; L523-L538 HydrophobicContact CD2-CD1 3.81Å; L523-L538 HydrophobicContact CG-CD1 4.15Å; L523-D607 HydrophobicContact CD1-CB 3.94Å; L523-D607 HydrophobicContact CD2-CB 3.93Å; L523-V611 HydrophobicContact CD1-CG2 3.64Å; L523-V676 HydrophobicContact CB-CG1 3.75Å; L523-V676 WeakPolarHBondContact O-CG1 3.5Å
524	K	97.7	Very high	96.2	Very high	77 Å²	77	39.3 Å²	39.3	34%	0.335	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-48	174	-178.8	177.3	171.3	179.8	0	110.6	V520 N521 L526 N527 E528 L677	V520-K524 WeakPolarHBondContact O-CB 3.37Å; V520-K524 PolarHBondContact O-N 2.75Å; N521-K524 PolarHBondContact O-N 2.88Å; K524-L526 PolarHBondContact O-N 3.45Å; K524-N527 PolarHBondContact O-N 2.96Å; K524-N527 VanDerWaalsContact O-N 3.08Å; K524-E528 WeakPolarHBondContact CE-OE1 3.34Å; K524-E528 HydrophobicContact CG-CG 4.48Å; K524-E528 IonicContact NZ-OE1 3.71Å; K524-E528 WeakPolarHBondContact O-CG 3.3Å; K524-E528 PolarHBondContact O-N 3.42Å; K524-L677 HydrophobicContact CG-CD2 4.35Å
525	Y	98.1	Very high	96.2	Very high	43 Å²	43	37.4 Å²	37.4	17%	0.169	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-48.4	173.2	167.3	-97.5	0	0	0	112.2	L466 D467 H468 I471 N521 A522 L523 N527 E528 I529	L466-Y525 HydrophobicContact CB-CE1 4.38Å; L466-Y525 HydrophobicContact CD2-CE1 4.06Å; D467-Y525 PolarHBondContact N-OH 2.92Å; H468-Y525 HydrophobicContact CB-CD1 3.67Å; H468-Y525 HydrophobicContact CB-CD2 4.28Å; H468-Y525 HydrophobicContact CB-CE1 3.8Å; H468-Y525 HydrophobicContact CB-CE2 4.39Å; H468-Y525 HydrophobicContact CB-CG 3.91Å; H468-Y525 AromaticContact CD2-CG 3.74Å; H468-Y525 AromaticContact CG-CG 3.92Å; I471-Y525 HydrophobicContact CD1-CD1 3.66Å; I471-Y525 HydrophobicContact CD1-CE1 3.91Å; N521-Y525 PolarHBondContact O-N 2.91Å; N521-Y525 VanDerWaalsContact O-N 3.12Å; A522-Y525 WeakPolarHBondContact O-CB 3.3Å; A522-Y525 PolarHBondContact O-N 3.4Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; Y525-N527 PolarHBondContact O-N 2.86Å; Y525-E528 PolarHBondContact O-N 3.31Å; Y525-I529 HydrophobicContact CD2-CG2 4.16Å; Y525-I529 HydrophobicContact CE1-CD1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.1Å; Y525-I529 HydrophobicContact CE2-CG2 3.65Å; Y525-I529 WeakPolarHBondContact O-CG2 3.34Å; Y525-I529 PolarHBondContact O-N 2.89Å; Y525-I529 VanDerWaalsContact O-N 3.09Å
526	L	97.1	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-26.3	177.4	-68.7	177.6	0	0	0	113.5	L466 I471 A522 L523 K524 I529 I533 H535 F559	L466-L526 HydrophobicContact CD1-CD2 3.87Å; L466-L526 HydrophobicContact CD2-CD2 3.82Å; L466-L526 HydrophobicContact CG-CD2 4.49Å; I471-L526 HydrophobicContact CD1-CD1 4.49Å; I471-L526 HydrophobicContact CD1-CD2 3.79Å; I471-L526 HydrophobicContact CD1-CG 4.01Å; A522-L526 WeakPolarHBondContact O-CG 3.2Å; A522-L526 PolarHBondContact O-N 2.83Å; L523-L526 HydrophobicContact CD2-CD1 4.18Å; L523-L526 PolarHBondContact O-N 2.93Å; K524-L526 PolarHBondContact O-N 3.45Å; L526-I529 HydrophobicContact CD2-CD1 4Å; L526-I529 VanDerWaalsContact O-CG1 3.24Å; L526-I529 WeakPolarHBondContact O-CG1 3.47Å; L526-I533 HydrophobicContact CD2-CB 4.39Å; L526-I533 HydrophobicContact CD2-CG2 4.32Å; L526-I533 PolarHBondContact O-N 3.38Å; L526-H535 HydrophobicContact CD1-CB 4.44Å; L526-F559 HydrophobicContact CD1-CE1 3.96Å; L526-F559 HydrophobicContact CD2-CE1 4Å
527	N	95.4	Very high	95.9	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-84.3	-25.7	176.1	-166.4	-117.5	0	0	0	113.4	L523 K524 Y525 N604 V676 L677	L523-N527 PolarHBondContact O-N 2.79Å; K524-N527 PolarHBondContact O-N 2.96Å; K524-N527 VanDerWaalsContact O-N 3.08Å; Y525-N527 PolarHBondContact O-N 2.86Å; N527-N604 PolarHBondContact ND2-ND2 2.96Å; N527-V676 HydrophobicContact CB-CG1 4.22Å; N527-L677 HydrophobicContact CB-CD2 4.47Å; N527-L677 WeakPolarHBondContact OD1-CD2 3.39Å; N527-L677 VanDerWaalsContact OD1-CG 3.28Å; N527-L677 WeakPolarHBondContact OD1-CG 3.43Å
528	E	94.9	Very high	95.9	Very high	113 Å²	113	34.7 Å²	34.7	53%	0.528	17%	0.17	S	C	.	.	H	α-helix	trans	-85.2	-27.6	-179	-73.7	174.6	169.4	0	0	113.4	K524 Y525	K524-E528 WeakPolarHBondContact CE-OE1 3.34Å; K524-E528 HydrophobicContact CG-CG 4.48Å; K524-E528 IonicContact NZ-OE1 3.71Å; K524-E528 WeakPolarHBondContact O-CG 3.3Å; K524-E528 PolarHBondContact O-N 3.42Å; Y525-E528 PolarHBondContact O-N 3.31Å
529	I	93.4	Very high	95.9	Very high	35 Å²	35	34.6 Å²	34.6	18%	0.179	17%	0.169	C	C	.	.	S	Bend	trans	-64	153.4	173.2	60.1	-178	0	0	0	111.5	L466 Y525 L526 P531 P532 I533	L466-I529 HydrophobicContact CD2-CD1 3.43Å; L466-I529 VanDerWaalsContact CD2-CD1 3.43Å; Y525-I529 HydrophobicContact CD2-CG2 4.16Å; Y525-I529 HydrophobicContact CE1-CD1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.1Å; Y525-I529 HydrophobicContact CE2-CG2 3.65Å; Y525-I529 WeakPolarHBondContact O-CG2 3.34Å; Y525-I529 PolarHBondContact O-N 2.89Å; Y525-I529 VanDerWaalsContact O-N 3.09Å; L526-I529 HydrophobicContact CD2-CD1 4Å; L526-I529 VanDerWaalsContact O-CG1 3.24Å; L526-I529 WeakPolarHBondContact O-CG1 3.47Å; I529-P531 CarbonylContact O-C 3.58Å; I529-P532 VanDerWaalsContact O-CA 3.26Å; I529-P532 WeakPolarHBondContact O-CA 3.15Å; I529-I533 HydrophobicContact CD1-CB 4.33Å; I529-I533 HydrophobicContact CD1-CD1 3.46Å; I529-I533 VanDerWaalsContact CD1-CD1 3.46Å; I529-I533 HydrophobicContact CD1-CG1 4.2Å; I529-I533 HydrophobicContact CG1-CD1 4.38Å
530	K	90.2	Very high	95.9	Very high	199 Å²	199	34.7 Å²	34.7	87%	0.865	17%	0.169	S	C	*	.	S	Bend	trans	-118.6	123.9	-178.5	-67.8	-170.1	178.5	-173.2	0	111
531	P	90.9	Very high	95.7	Very high	60 Å²	60	35.7 Å²	35.7	39%	0.39	18%	0.181	S	C	.	.	S	Bend	cis	-67.2	150.1	-8.5	27.8	-35.3	0	0	0	112.9	I529 I564	I529-P531 CarbonylContact O-C 3.58Å; P531-I564 HydrophobicContact CB-CG2 3.69Å; P531-I564 HydrophobicContact CG-CG2 3.29Å
532	P	93	Very high	95.7	Very high	36 Å²	36	32.3 Å²	32.3	23%	0.234	16%	0.163	C	C	.	.			trans	-60.1	149.4	176.5	-27.4	36.7	0	0	0	113	I529 M565	I529-P532 VanDerWaalsContact O-CA 3.26Å; I529-P532 WeakPolarHBondContact O-CA 3.15Å; P532-M565 HydrophobicContact CB-CB 4.3Å; P532-M565 HydrophobicContact CB-CE 3.42Å; P532-M565 VanDerWaalsContact CB-CE 3.42Å; P532-M565 WeakPolarHBondContact CD-O 3.39Å; P532-M565 PolarHBondContact O-N 2.97Å
533	I	94.1	Very high	95.7	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.072	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.6	-176.3	-71.5	159.3	0	0	0	110.8	I462 L466 L526 I529 K563	I462-I533 HydrophobicContact CG2-CD1 3.7Å; I462-I533 HydrophobicContact CG2-CG1 4.4Å; I462-I533 HydrophobicContact CG2-CG2 4.23Å; L466-I533 HydrophobicContact CD2-CD1 4.13Å; L526-I533 HydrophobicContact CD2-CB 4.39Å; L526-I533 HydrophobicContact CD2-CG2 4.32Å; L526-I533 PolarHBondContact O-N 3.38Å; I529-I533 HydrophobicContact CD1-CB 4.33Å; I529-I533 HydrophobicContact CD1-CD1 3.46Å; I529-I533 VanDerWaalsContact CD1-CD1 3.46Å; I529-I533 HydrophobicContact CD1-CG1 4.2Å; I529-I533 HydrophobicContact CG1-CD1 4.38Å; I533-K563 WeakPolarHBondContact CA-O 3.49Å
534	I	94.9	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.5	167	-51.2	171.4	0	0	0	107.2	S562 K563 M565 M575 S603 V606 D607	I534-S562 CarbonylContact O-C 3.55Å; I534-S562 VanDerWaalsContact O-CA 3.22Å; I534-S562 WeakPolarHBondContact O-CA 3.46Å; I534-S562 VanDerWaalsContact O-CB 3.29Å; I534-S562 WeakPolarHBondContact O-CB 3.49Å; I534-K563 HydrophobicContact CB-CB 4.26Å; I534-K563 HydrophobicContact CD1-CB 4.49Å; I534-K563 PolarHBondContact N-O 2.79Å; I534-K563 PolarHBondContact O-N 2.86Å; I534-M565 HydrophobicContact CD1-CE 4.33Å; I534-M565 HydrophobicContact CD1-CG 3.9Å; I534-M565 HydrophobicContact CD1-SD 3.62Å; I534-M565 HydrophobicContact CG1-CE 3.58Å; I534-M565 HydrophobicContact CG1-CG 3.95Å; I534-M565 HydrophobicContact CG1-SD 3.57Å; I534-M565 VanDerWaalsContact CG1-SD 3.57Å; I534-M575 HydrophobicContact CD1-CG 4.48Å; I534-M575 HydrophobicContact CD1-SD 4.17Å; I534-S603 VanDerWaalsContact CD1-C 3.47Å; I534-V606 HydrophobicContact CG2-CB 4.47Å; I534-D607 WeakPolarHBondContact CG2-OD2 3.49Å
535	H	96.2	Very high	95.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.			trans	-67.6	-43.4	178.2	-172.8	-73.2	0	0	0	111.5	L526 D537 L538 I556 T557 D558 F559 S562 D607	L526-H535 HydrophobicContact CD1-CB 4.44Å; H535-D537 PolarHBondContact ND1-N 3.4Å; H535-D537 PolarHBondContact O-N 3.29Å; H535-L538 HydrophobicContact CB-CD2 4.48Å; H535-L538 HydrophobicContact CB-CG 4.08Å; H535-L538 PolarHBondContact ND1-N 2.77Å; H535-I556 WeakPolarHBondContact NE2-CG2 3.29Å; H535-T557 PolarHBondContact NE2-O 3.1Å; H535-T557 VanDerWaalsContact NE2-O 3.16Å; H535-D558 PolarHBondContact CE1-O 3.11Å; H535-D558 VanDerWaalsContact CE1-O 3.31Å; H535-D558 PolarHBondContact NE2-O 2.84Å; H535-F559 AromaticContact CD2-CD1 3.99Å; H535-F559 AromaticContact CD2-CE1 3.71Å; H535-S562 WeakPolarHBondContact O-CA 3.23Å; H535-S562 PolarHBondContact O-OG 3.29Å; H535-D607 PolarHBondContact N-OD2 2.86Å
536	Y	95.6	Very high	95.3	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.154	C	C	.	.			trans	70.3	-24.8	173.7	-167.2	-94.3	0	0	0	116.5	L561 L577 L588 I602 V606 D607	Y536-L561 HydrophobicContact CD1-CB 4.11Å; Y536-L577 HydrophobicContact CE1-CD1 4.46Å; Y536-L577 HydrophobicContact CE2-CD1 3.69Å; Y536-L577 VanDerWaalsContact OH-CD1 3.29Å; Y536-L577 WeakPolarHBondContact OH-CD1 3.47Å; Y536-L588 HydrophobicContact CE1-CD2 4.33Å; Y536-L588 HydrophobicContact CE2-CD2 4.44Å; Y536-L588 WeakPolarHBondContact O-CD2 3.48Å; Y536-I602 HydrophobicContact CD2-CD1 3.88Å; Y536-I602 HydrophobicContact CE2-CD1 3.76Å; Y536-V606 HydrophobicContact CD2-CG1 3.96Å; Y536-V606 HydrophobicContact CE2-CG1 4.27Å; Y536-D607 PolarHBondContact N-OD1 3.44Å
537	D	95.3	Very high	94.8	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	18%	0.181	C	C	.	.			trans	-122	44.9	175.1	-163.7	42.6	0	0	0	113	H535 K539 N542 L561 T584	H535-D537 PolarHBondContact ND1-N 3.4Å; H535-D537 PolarHBondContact O-N 3.29Å; D537-K539 PolarHBondContact O-N 3.07Å; D537-K539 IonicContact OD1-NZ 3.56Å; D537-K539 IonicContact OD2-NZ 3.7Å; D537-K539 PolarHBondContact OD2-NZ 3.35Å; D537-N542 PolarHBondContact O-ND2 3.36Å; D537-N542 PolarHBondContact OD2-ND2 3.38Å; D537-L561 HydrophobicContact CB-CB 4.23Å; D537-L561 HydrophobicContact CB-CD1 3.95Å; D537-T584 PolarHBondContact OD1-N 2.98Å; D537-T584 VanDerWaalsContact OD1-N 3.13Å; D537-T584 PolarHBondContact OD1-OG1 2.93Å
538	L	98	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.			trans	-69	123.8	172.6	-84	-172.5	0	0	0	111.1	I519 L523 H535 I556 Y587 D607 V611 I614	I519-L538 HydrophobicContact CG2-CD1 4.17Å; L523-L538 HydrophobicContact CD1-CD1 3.83Å; L523-L538 HydrophobicContact CD2-CD1 3.81Å; L523-L538 HydrophobicContact CG-CD1 4.15Å; H535-L538 HydrophobicContact CB-CD2 4.48Å; H535-L538 HydrophobicContact CB-CG 4.08Å; H535-L538 PolarHBondContact ND1-N 2.77Å; L538-I556 HydrophobicContact CD2-CD1 4.09Å; L538-I556 HydrophobicContact CD2-CG2 3.76Å; L538-Y587 WeakPolarHBondContact O-CB 3.33Å; L538-D607 HydrophobicContact CD1-CB 4.2Å; L538-V611 HydrophobicContact CD1-CG2 4.33Å; L538-I614 HydrophobicContact CB-CD1 4.24Å
539	K	97.6	Very high	94.1	Very high	25 Å²	25	32.2 Å²	32.2	11%	0.109	18%	0.183	C	C	.	.			trans	-157.1	163.2	177.6	66.1	-160.2	-178.2	-157.5	0	110.1	D537 G541 N542 T584 Y587	D537-K539 PolarHBondContact O-N 3.07Å; D537-K539 IonicContact OD1-NZ 3.56Å; D537-K539 IonicContact OD2-NZ 3.7Å; D537-K539 PolarHBondContact OD2-NZ 3.35Å; K539-G541 PolarHBondContact O-N 3.17Å; K539-G541 VanDerWaalsContact O-N 3.13Å; K539-N542 WeakPolarHBondContact CE-ND2 3.5Å; K539-N542 WeakPolarHBondContact CE-OD1 3.5Å; K539-N542 HydrophobicContact CG-CB 4.19Å; K539-N542 PolarHBondContact O-N 3.12Å; K539-T584 HydrophobicContact CD-CG2 4.22Å; K539-T584 WeakPolarHBondContact CD-OG1 3.15Å; K539-T584 PolarHBondContact NZ-OG1 3.36Å; K539-T584 VanDerWaalsContact NZ-OG1 3.11Å; K539-Y587 HydrophobicContact CB-CD1 4.46Å; K539-Y587 HydrophobicContact CB-CD2 3.71Å; K539-Y587 HydrophobicContact CB-CE1 4.46Å; K539-Y587 HydrophobicContact CB-CE2 3.69Å; K539-Y587 HydrophobicContact CB-CG 4.11Å
540	P	97.9	Very high	93.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-55.5	-31.6	178.3	-27.9	37.3	0	0	0	114.2	L497 D498 L501 N542 I543 Y587 I614	L497-P540 HydrophobicContact CB-CB 4.02Å; L497-P540 WeakPolarHBondContact CB-O 3.46Å; L497-P540 HydrophobicContact CD2-CB 4.2Å; L497-P540 HydrophobicContact CG-CB 3.98Å; L497-P540 PolarHBondContact N-O 2.79Å; L497-P540 VanDerWaalsContact N-O 3.16Å; D498-P540 HydrophobicContact CB-CB 3.88Å; D498-P540 PolarHBondContact N-O 3Å; L501-P540 HydrophobicContact CD1-CB 4.35Å; L501-P540 HydrophobicContact CD1-CG 4.33Å; P540-N542 PolarHBondContact O-N 3.4Å; P540-I543 PolarHBondContact O-N 3.01Å; P540-Y587 VanDerWaalsContact CD-CE1 3.43Å; P540-Y587 WeakPolarHBondContact CD-OH 3.49Å; P540-Y587 HydrophobicContact CG-CE1 4.16Å; P540-I614 HydrophobicContact CG-CG1 4.35Å
541	G	95.4	Very high	93.6	Very high	26 Å²	26	25.5 Å²	25.5	27%	0.268	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-67.1	-17.1	175.7	0	0	0	0	0	114.8	K539	K539-G541 PolarHBondContact O-N 3.17Å; K539-G541 VanDerWaalsContact O-N 3.13Å
542	N	96.8	Very high	93.6	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.059	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-105.5	11.5	-179.9	-69.1	-1.9	0	0	0	112.1	D537 K539 P540 I556 T557	D537-N542 PolarHBondContact O-ND2 3.36Å; D537-N542 PolarHBondContact OD2-ND2 3.38Å; K539-N542 WeakPolarHBondContact CE-ND2 3.5Å; K539-N542 WeakPolarHBondContact CE-OD1 3.5Å; K539-N542 HydrophobicContact CG-CB 4.19Å; K539-N542 PolarHBondContact O-N 3.12Å; P540-N542 PolarHBondContact O-N 3.4Å; N542-I556 WeakPolarHBondContact O-CA 3.31Å; N542-T557 PolarHBondContact O-N 3.09Å
543	I	98.3	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.6	176.2	-63.1	158.1	0	0	0	107.6	D496 L497 I515 I519 P540 I554 I614	D496-I543 CarbonylContact C-O 3.47Å; D496-I543 VanDerWaalsContact CA-O 3.29Å; D496-I543 WeakPolarHBondContact CA-O 3.5Å; L497-I543 HydrophobicContact CB-CB 4.04Å; L497-I543 HydrophobicContact CB-CG2 4.18Å; L497-I543 HydrophobicContact CD2-CB 4.34Å; L497-I543 HydrophobicContact CD2-CD1 3.91Å; L497-I543 HydrophobicContact CD2-CG2 4.24Å; L497-I543 PolarHBondContact N-O 3.32Å; I515-I543 HydrophobicContact CG2-CG2 4.49Å; I519-I543 HydrophobicContact CD1-CD1 3.49Å; I519-I543 VanDerWaalsContact CD1-CD1 3.49Å; I519-I543 HydrophobicContact CD1-CG1 4.23Å; I519-I543 HydrophobicContact CG1-CD1 4.26Å; P540-I543 PolarHBondContact O-N 3.01Å; I543-I554 HydrophobicContact CG2-CB 3.98Å; I543-I554 HydrophobicContact CG2-CD1 4.39Å; I543-I554 HydrophobicContact CG2-CG1 4.43Å; I543-I554 HydrophobicContact CG2-CG2 4.28Å; I543-I614 HydrophobicContact CD1-CD1 3.91Å; I543-I614 HydrophobicContact CD1-CG2 4.1Å
544	L	97.5	Very high	93.9	Very high	34 Å²	34	25.1 Å²	25.1	18%	0.178	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.4	179.6	-54.1	-176.3	0	0	0	109.8	V472 C492 D496 I554 K555 T557	V472-L544 HydrophobicContact CG2-CD1 3.77Å; C492-L544 HydrophobicContact CB-CB 4.23Å; C492-L544 HydrophobicContact CB-CD1 3.91Å; D496-L544 HydrophobicContact CB-CD2 4.05Å; L544-I554 CarbonylContact O-C 3.54Å; L544-I554 WeakPolarHBondContact O-CA 3.33Å; L544-K555 PolarHBondContact N-O 3.5Å; L544-K555 PolarHBondContact O-N 3.22Å; L544-T557 HydrophobicContact CD1-CG2 4.19Å; L544-T557 HydrophobicContact CD2-CG2 4.31Å; L544-T557 HydrophobicContact CG-CG2 4.08Å
545	L	96.6	Very high	94.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	103.8	170.3	-55.4	180	0	0	0	107.5	G494 N495 L497 Y500 I515 D547 G548 I554	G494-L545 CarbonylContact C-O 3.57Å; G494-L545 WeakPolarHBondContact CA-O 3.44Å; N495-L545 WeakPolarHBondContact O-CB 3.33Å; N495-L545 PolarHBondContact O-N 3.47Å; L497-L545 HydrophobicContact CD1-CD2 4.47Å; Y500-L545 HydrophobicContact CD2-CD1 3.57Å; Y500-L545 HydrophobicContact CE2-CD1 4.42Å; Y500-L545 HydrophobicContact CG-CD1 3.69Å; I515-L545 HydrophobicContact CD1-CD2 4.24Å; L545-D547 VanDerWaalsContact C-N 3.32Å; L545-D547 PolarHBondContact O-N 2.97Å; L545-G548 PolarHBondContact O-N 3.48Å; L545-I554 HydrophobicContact CD2-CG2 3.59Å
546	V	92.3	Very high	94.2	Very high	26 Å²	26	25.8 Å²	25.8	16%	0.158	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-45.6	-166.9	179.4	0	0	0	0	112.1	G494 E553 K555	G494-V546 PolarHBondContact N-O 3.36Å; V546-E553 HydrophobicContact CB-CB 4.3Å; V546-E553 HydrophobicContact CG2-CB 4.15Å; V546-E553 PolarHBondContact N-O 3.13Å; V546-K555 HydrophobicContact CG2-CB 4.45Å; V546-K555 HydrophobicContact CG2-CD 3.8Å; V546-K555 HydrophobicContact CG2-CG 3.91Å
547	D	87.4	Confident	94.1	Very high	108 Å²	108	26.6 Å²	26.6	58%	0.578	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	12.3	179.6	-53.2	-47.6	0	0	0	112.9	L545 T549	L545-D547 VanDerWaalsContact C-N 3.32Å; L545-D547 PolarHBondContact O-N 2.97Å; D547-T549 PolarHBondContact O-N 3.34Å
548	G	86.6	Confident	93.9	Very high	33 Å²	33	27.6 Å²	27.6	34%	0.34	17%	0.171	S	C	.	.	S	Bend	trans	71.4	9.9	179.6	0	0	0	0	0	115.7	L545	L545-G548 PolarHBondContact O-N 3.48Å
549	T	87.9	Confident	93.5	Very high	61 Å²	61	27.6 Å²	27.6	37%	0.374	17%	0.171	S	C	.	.			trans	-114.9	144.5	179.2	66.8	0	0	0	0	111.8	D547 C551 G552	D547-T549 PolarHBondContact O-N 3.34Å; T549-C551 PolarHBondContact O-N 2.94Å; T549-G552 PolarHBondContact O-N 2.87Å; T549-G552 PolarHBondContact OG1-N 3.49Å
550	A	84.9	Confident	92.9	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.017	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.4	177.6	0	0	0	0	0	113.5	Y500 M507 E511 I515	Y500-A550 HydrophobicContact CE1-CB 3.96Å; Y500-A550 HydrophobicContact CE2-CB 4.17Å; M507-A550 HydrophobicContact CE-CB 4.23Å; M507-A550 HydrophobicContact SD-CB 4.22Å; E511-A550 HydrophobicContact CB-CB 4.1Å; E511-A550 HydrophobicContact CG-CB 4.31Å; I515-A550 HydrophobicContact CD1-CB 4.23Å
551	C	87.8	Confident	92.3	Very high	91 Å²	91	29.6 Å²	29.6	62%	0.615	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.2	174	59.5	0	0	0	0	113.6	T549	T549-C551 PolarHBondContact O-N 2.94Å
552	G	91.4	Very high	92.1	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	18%	0.177	C	C	.	.	S	Bend	trans	-85.6	-163.9	-178.6	0	0	0	0	0	114	Q518 T549	Q518-G552 PolarHBondContact NE2-O 2.9Å; Q518-G552 VanDerWaalsContact NE2-O 3.08Å; T549-G552 PolarHBondContact O-N 2.87Å; T549-G552 PolarHBondContact OG1-N 3.49Å
553	E	95.7	Very high	91.7	Very high	85 Å²	85	28.3 Å²	28.3	40%	0.397	18%	0.175	S	C	.	.			trans	-78.3	144.6	178.2	-56.8	-153.9	143.8	0	0	112.1	R470 V546	R470-E553 IonicContact CZ-OE1 3.11Å; R470-E553 IonicContact CZ-OE2 2.91Å; R470-E553 IonicContact NH1-OE1 2.84Å; R470-E553 PolarHBondContact NH1-OE1 2.81Å; R470-E553 IonicContact NH1-OE2 2.79Å; R470-E553 PolarHBondContact NH1-OE2 2.94Å; R470-E553 VanDerWaalsContact NH2-CD 3.32Å; R470-E553 IonicContact NH2-OE1 2.89Å; R470-E553 PolarHBondContact NH2-OE1 2.83Å; R470-E553 IonicContact NH2-OE2 3.24Å; V546-E553 HydrophobicContact CB-CB 4.3Å; V546-E553 HydrophobicContact CG2-CB 4.15Å; V546-E553 PolarHBondContact N-O 3.13Å
554	I	98.1	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.4	170.6	70.1	83.9	0	0	0	111.6	R470 I515 Q518 I519 I543 L544 L545 I556	R470-I554 WeakPolarHBondContact CD-O 3.32Å; I515-I554 HydrophobicContact CG1-CG2 4.15Å; I515-I554 HydrophobicContact CG2-CG2 4.41Å; Q518-I554 HydrophobicContact CB-CD1 3.77Å; Q518-I554 HydrophobicContact CB-CG1 3.44Å; Q518-I554 VanDerWaalsContact CB-CG1 3.44Å; Q518-I554 HydrophobicContact CG-CG1 4.28Å; I519-I554 HydrophobicContact CG1-CD1 3.92Å; I543-I554 HydrophobicContact CG2-CB 3.98Å; I543-I554 HydrophobicContact CG2-CD1 4.39Å; I543-I554 HydrophobicContact CG2-CG1 4.43Å; I543-I554 HydrophobicContact CG2-CG2 4.28Å; L544-I554 CarbonylContact O-C 3.54Å; L544-I554 WeakPolarHBondContact O-CA 3.33Å; L545-I554 HydrophobicContact CD2-CG2 3.59Å; I554-I556 HydrophobicContact CD1-CG1 4.36Å
555	K	98.5	Very high	90.6	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135	170.1	-73	172.4	175.4	-90.6	0	110.7	P469 R470 V472 E490 L544 V546	P469-K555 WeakPolarHBondContact O-CE 3.39Å; P469-K555 WeakPolarHBondContact O-CG 3.31Å; P469-K555 PolarHBondContact O-NZ 3.47Å; P469-K555 VanDerWaalsContact O-NZ 3.16Å; R470-K555 CarbonylContact O-C 3.53Å; R470-K555 WeakPolarHBondContact O-CA 3.43Å; V472-K555 HydrophobicContact CG2-CB 3.79Å; V472-K555 HydrophobicContact CG2-CD 4.49Å; E490-K555 WeakPolarHBondContact OE1-CE 3.11Å; E490-K555 IonicContact OE1-NZ 3.7Å; E490-K555 PolarHBondContact OE1-NZ 3.47Å; E490-K555 IonicContact OE2-NZ 3.86Å; E490-K555 PolarHBondContact OE2-NZ 3.46Å; L544-K555 PolarHBondContact N-O 3.5Å; L544-K555 PolarHBondContact O-N 3.22Å; V546-K555 HydrophobicContact CG2-CB 4.45Å; V546-K555 HydrophobicContact CG2-CD 3.8Å; V546-K555 HydrophobicContact CG2-CG 3.91Å
556	I	98.3	Very high	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.4	173.8	-57.7	178.5	0	0	0	109.3	R470 V472 I519 A522 H535 L538 N542 I554	R470-I556 PolarHBondContact O-N 2.85Å; V472-I556 PolarHBondContact N-O 2.87Å; I519-I556 HydrophobicContact CB-CD1 4.48Å; I519-I556 HydrophobicContact CG2-CD1 4.04Å; A522-I556 HydrophobicContact CB-CD1 3.55Å; A522-I556 HydrophobicContact CB-CG1 4.37Å; H535-I556 WeakPolarHBondContact NE2-CG2 3.29Å; L538-I556 HydrophobicContact CD2-CD1 4.09Å; L538-I556 HydrophobicContact CD2-CG2 3.76Å; N542-I556 WeakPolarHBondContact O-CA 3.31Å; I554-I556 HydrophobicContact CD1-CG1 4.36Å
557	T	94.8	Very high	88.9	Confident	19 Å²	19	37.9 Å²	37.9	12%	0.117	23%	0.225	C	C	.	.			trans	-140	175.2	178.9	-165.7	0	0	0	0	111.6	H535 N542 L544	H535-T557 PolarHBondContact NE2-O 3.1Å; H535-T557 VanDerWaalsContact NE2-O 3.16Å; N542-T557 PolarHBondContact O-N 3.09Å; L544-T557 HydrophobicContact CD1-CG2 4.19Å; L544-T557 HydrophobicContact CD2-CG2 4.31Å; L544-T557 HydrophobicContact CG-CG2 4.08Å
558	D	89.6	Confident	88	Confident	25 Å²	25	40.1 Å²	40.1	13%	0.134	24%	0.237	C	C	.	.			trans	68.7	77.3	174.3	-157.9	28.2	0	0	0	115.1	K436 H535 G560	K436-D558 IonicContact NZ-OD1 3.1Å; K436-D558 PolarHBondContact NZ-OD1 3.08Å; H535-D558 PolarHBondContact CE1-O 3.11Å; H535-D558 VanDerWaalsContact CE1-O 3.31Å; H535-D558 PolarHBondContact NE2-O 2.84Å; D558-G560 VanDerWaalsContact C-N 3.28Å; D558-G560 PolarHBondContact O-N 3.25Å
559	F	90.8	Very high	86.8	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	25%	0.246	C	C	.	.			trans	-88	15	178.6	-67	-94.2	0	0	0	113.7	E459 I462 H463 L466 I471 L526 H535 L561 S562	E459-F559 HydrophobicContact CG-CB 4.44Å; I462-F559 HydrophobicContact CG2-CB 4.42Å; I462-F559 HydrophobicContact CG2-CD1 4.28Å; H463-F559 HydrophobicContact CB-CB 4.36Å; H463-F559 HydrophobicContact CB-CD2 4.21Å; H463-F559 HydrophobicContact CB-CG 4.41Å; H463-F559 AromaticContact CD2-CD2 3.7Å; H463-F559 AromaticContact CD2-CE2 3.77Å; H463-F559 AromaticContact CE1-CD2 3.81Å; H463-F559 AromaticContact CG-CD2 3.66Å; H463-F559 AromaticContact ND1-CD2 3.73Å; H463-F559 AromaticContact NE2-CD2 3.79Å; H463-F559 AromaticContact NE2-CE2 3.69Å; L466-F559 HydrophobicContact CD1-CD1 3.91Å; L466-F559 HydrophobicContact CD1-CD2 4.32Å; L466-F559 HydrophobicContact CD1-CE1 3.44Å; L466-F559 VanDerWaalsContact CD1-CE1 3.44Å; L466-F559 HydrophobicContact CD1-CE2 3.91Å; L466-F559 HydrophobicContact CD1-CG 4.33Å; L466-F559 HydrophobicContact CD1-CZ 3.45Å; L466-F559 VanDerWaalsContact CD1-CZ 3.45Å; I471-F559 HydrophobicContact CD1-CZ 4.29Å; I471-F559 HydrophobicContact CG1-CZ 4.49Å; I471-F559 HydrophobicContact CG2-CE2 3.68Å; I471-F559 HydrophobicContact CG2-CZ 3.63Å; L526-F559 HydrophobicContact CD1-CE1 3.96Å; L526-F559 HydrophobicContact CD2-CE1 4Å; H535-F559 AromaticContact CD2-CD1 3.99Å; H535-F559 AromaticContact CD2-CE1 3.71Å; F559-L561 PolarHBondContact O-N 2.76Å; F559-L561 VanDerWaalsContact O-N 3.16Å; F559-S562 VanDerWaalsContact CA-OG 3.26Å; F559-S562 WeakPolarHBondContact CA-OG 3.38Å; F559-S562 WeakPolarHBondContact CB-OG 3.41Å; F559-S562 WeakPolarHBondContact CD1-OG 3.39Å; F559-S562 VanDerWaalsContact O-CB 3.31Å; F559-S562 WeakPolarHBondContact O-CB 3.35Å; F559-S562 PolarHBondContact O-N 3.48Å; F559-S562 PolarHBondContact O-OG 3.06Å
560	G	85.2	Confident	85.8	Confident	24 Å²	24	44.7 Å²	44.7	25%	0.247	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.1	-173.5	0	0	0	0	0	115.2	E459 D558	E459-G560 VanDerWaalsContact CD-CA 3.46Å; E459-G560 WeakPolarHBondContact OE2-CA 3.36Å; D558-G560 VanDerWaalsContact C-N 3.28Å; D558-G560 PolarHBondContact O-N 3.25Å
561	L	85.3	Confident	84.9	Confident	43 Å²	43	46.6 Å²	46.6	23%	0.225	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	3.7	176.6	-61.8	-178.4	0	0	0	113.4	Y536 D537 F559 K563 A582	Y536-L561 HydrophobicContact CD1-CB 4.11Å; D537-L561 HydrophobicContact CB-CB 4.23Å; D537-L561 HydrophobicContact CB-CD1 3.95Å; F559-L561 PolarHBondContact O-N 2.76Å; F559-L561 VanDerWaalsContact O-N 3.16Å; L561-K563 WeakPolarHBondContact O-CE 3.18Å; L561-A582 HydrophobicContact CD1-CB 4.45Å; L561-A582 HydrophobicContact CD2-CB 4.27Å
562	S	91.1	Very high	83.9	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	28%	0.28	C	S	.	.			trans	-65.1	150.1	-174.3	-59.5	0	0	0	0	112.6	I534 H535 F559	I534-S562 CarbonylContact O-C 3.55Å; I534-S562 VanDerWaalsContact O-CA 3.22Å; I534-S562 WeakPolarHBondContact O-CA 3.46Å; I534-S562 VanDerWaalsContact O-CB 3.29Å; I534-S562 WeakPolarHBondContact O-CB 3.49Å; H535-S562 WeakPolarHBondContact O-CA 3.23Å; H535-S562 PolarHBondContact O-OG 3.29Å; F559-S562 VanDerWaalsContact CA-OG 3.26Å; F559-S562 WeakPolarHBondContact CA-OG 3.38Å; F559-S562 WeakPolarHBondContact CB-OG 3.41Å; F559-S562 WeakPolarHBondContact CD1-OG 3.39Å; F559-S562 VanDerWaalsContact O-CB 3.31Å; F559-S562 WeakPolarHBondContact O-CB 3.35Å; F559-S562 PolarHBondContact O-N 3.48Å; F559-S562 PolarHBondContact O-OG 3.06Å
563	K	88.6	Confident	82.8	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.9	-176.2	-53.6	-63	-179.3	177.5	0	109.6	I533 I534 L561 M575 T578 S579	I533-K563 WeakPolarHBondContact CA-O 3.49Å; I534-K563 HydrophobicContact CB-CB 4.26Å; I534-K563 HydrophobicContact CD1-CB 4.49Å; I534-K563 PolarHBondContact N-O 2.79Å; I534-K563 PolarHBondContact O-N 2.86Å; L561-K563 WeakPolarHBondContact O-CE 3.18Å; K563-M575 HydrophobicContact CB-CE 3.39Å; K563-M575 HydrophobicContact CB-SD 3.87Å; K563-M575 HydrophobicContact CD-CE 3.99Å; K563-M575 HydrophobicContact CG-CE 3.53Å; K563-T578 PolarHBondContact NZ-OG1 3.34Å; K563-S579 PolarHBondContact NZ-OG 3.17Å
564	I	88.3	Confident	82	Confident	42 Å²	42	50.8 Å²	50.8	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.9	175.1	-61.4	171.4	0	0	0	105.6	R458 I462 P531 D566	R458-I564 VanDerWaalsContact NH2-N 3.14Å; I462-I564 HydrophobicContact CD1-CD1 3.89Å; I462-I564 HydrophobicContact CD1-CG1 3.65Å; I462-I564 HydrophobicContact CG1-CD1 3.69Å; I462-I564 HydrophobicContact CG1-CG1 3.76Å; P531-I564 HydrophobicContact CB-CG2 3.69Å; P531-I564 HydrophobicContact CG-CG2 3.29Å; I564-D566 HydrophobicContact CG2-CB 4.35Å; I564-D566 PolarHBondContact O-N 3.45Å
565	M	83.9	Confident	81.5	Confident	9 Å²	9	51.2 Å²	51.2	4%	0.044	29%	0.288	C	S	.	.			trans	-95	78.1	173.5	-64	-178.3	-75.5	0	0	107.9	P532 I534 Y570 M575 N604	P532-M565 HydrophobicContact CB-CB 4.3Å; P532-M565 HydrophobicContact CB-CE 3.42Å; P532-M565 VanDerWaalsContact CB-CE 3.42Å; P532-M565 WeakPolarHBondContact CD-O 3.39Å; P532-M565 PolarHBondContact O-N 2.97Å; I534-M565 HydrophobicContact CD1-CE 4.33Å; I534-M565 HydrophobicContact CD1-CG 3.9Å; I534-M565 HydrophobicContact CD1-SD 3.62Å; I534-M565 HydrophobicContact CG1-CE 3.58Å; I534-M565 HydrophobicContact CG1-CG 3.95Å; I534-M565 HydrophobicContact CG1-SD 3.57Å; I534-M565 VanDerWaalsContact CG1-SD 3.57Å; M565-Y570 HydrophobicContact CB-CD2 3.82Å; M565-Y570 HydrophobicContact CB-CE2 4.4Å; M565-Y570 HydrophobicContact CB-CG 4.34Å; M565-Y570 HydrophobicContact CG-CD2 3.79Å; M565-Y570 HydrophobicContact CG-CE2 4.04Å; M565-Y570 HydrophobicContact SD-CD2 3.84Å; M565-Y570 HydrophobicContact SD-CE2 3.44Å; M565-Y570 WeakPolarHBondContact SD-CE2 3.35Å; M565-M575 HydrophobicContact CG-CG 4.44Å; M565-M575 HydrophobicContact CG-SD 3.99Å; M565-N604 HydrophobicContact CE-CB 4.3Å
566	D	81.9	Confident	80.9	Confident	54 Å²	54	53.4 Å²	53.4	29%	0.289	30%	0.3	S	S	.	.			trans	-80.8	153.9	171.4	50.1	-2.4	0	0	0	111.1	I564 D568 N569 Y570	I564-D566 HydrophobicContact CG2-CB 4.35Å; I564-D566 PolarHBondContact O-N 3.45Å; D566-D568 PolarHBondContact O-N 3.24Å; D566-D568 VanDerWaalsContact O-N 3.1Å; D566-N569 PolarHBondContact O-N 2.96Å; D566-N569 WeakPolarHBondContact OD1-CB 3.38Å; D566-N569 PolarHBondContact OD1-ND2 3.48Å; D566-N569 PolarHBondContact OD2-ND2 3.43Å; D566-Y570 WeakPolarHBondContact O-CB 3.37Å; D566-Y570 PolarHBondContact O-N 2.95Å
567	D	71	Confident	80.3	Confident	158 Å²	158	53.7 Å²	53.7	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26	-175.9	-65.9	-24.8	0	0	0	112.5
568	D	67.9	Low	79.4	Confident	155 Å²	155	57.5 Å²	57.5	83%	0.829	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.3	178.3	-67.4	-31.4	0	0	0	113.4	D566	D566-D568 PolarHBondContact O-N 3.24Å; D566-D568 VanDerWaalsContact O-N 3.1Å
569	N	61.6	Low	79	Confident	97 Å²	97	57.9 Å²	57.9	52%	0.519	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-12.6	-179.2	-62.3	-37.5	0	0	0	113.7	D566 M575	D566-N569 PolarHBondContact O-N 2.96Å; D566-N569 WeakPolarHBondContact OD1-CB 3.38Å; D566-N569 PolarHBondContact OD1-ND2 3.48Å; D566-N569 PolarHBondContact OD2-ND2 3.43Å; N569-M575 WeakPolarHBondContact O-CA 3.41Å; N569-M575 WeakPolarHBondContact O-CB 3.43Å
570	Y	68.3	Low	78.7	Confident	94 Å²	94	61.5 Å²	61.5	37%	0.369	35%	0.347	S	S	.	.			trans	-100.3	94.1	-176.1	-159.7	-93.5	0	0	0	111.3	M565 D566 M575	M565-Y570 HydrophobicContact CB-CD2 3.82Å; M565-Y570 HydrophobicContact CB-CE2 4.4Å; M565-Y570 HydrophobicContact CB-CG 4.34Å; M565-Y570 HydrophobicContact CG-CD2 3.79Å; M565-Y570 HydrophobicContact CG-CE2 4.04Å; M565-Y570 HydrophobicContact SD-CD2 3.84Å; M565-Y570 HydrophobicContact SD-CE2 3.44Å; M565-Y570 WeakPolarHBondContact SD-CE2 3.35Å; D566-Y570 WeakPolarHBondContact O-CB 3.37Å; D566-Y570 PolarHBondContact O-N 2.95Å; Y570-M575 HydrophobicContact CD2-CB 4.14Å; Y570-M575 HydrophobicContact CD2-CG 4.32Å
571	G	65.4	Low	78.6	Confident	41 Å²	41	62.3 Å²	62.3	42%	0.423	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-81.6	-179.2	172.8	0	0	0	0	0	113	D573 G574	G571-D573 PolarHBondContact O-N 3Å; G571-D573 VanDerWaalsContact O-N 3.09Å; G571-G574 PolarHBondContact N-O 3.49Å; G571-G574 PolarHBondContact O-N 3Å
572	V	66.1	Low	78.6	Confident	153 Å²	153	61.7 Å²	61.7	93%	0.927	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.7	177.1	-176.2	0	0	0	0	112.3
573	D	67.8	Low	78.5	Confident	126 Å²	126	62.2 Å²	62.2	67%	0.674	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3	-176.9	-61.2	-41.9	0	0	0	114.4	G571	G571-D573 PolarHBondContact O-N 3Å; G571-D573 VanDerWaalsContact O-N 3.09Å
574	G	80.5	Confident	78.8	Confident	3 Å²	3	63 Å²	63	3%	0.031	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	103.7	-166.3	-174.7	0	0	0	0	0	113.9	G571	G571-G574 PolarHBondContact N-O 3.49Å; G571-G574 PolarHBondContact O-N 3Å
575	M	86.7	Confident	79.2	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.039	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.7	-177.8	59.5	158.3	-111.9	0	0	113	I534 K563 M565 N569 Y570 K601 I602	I534-M575 HydrophobicContact CD1-CG 4.48Å; I534-M575 HydrophobicContact CD1-SD 4.17Å; K563-M575 HydrophobicContact CB-CE 3.39Å; K563-M575 HydrophobicContact CB-SD 3.87Å; K563-M575 HydrophobicContact CD-CE 3.99Å; K563-M575 HydrophobicContact CG-CE 3.53Å; M565-M575 HydrophobicContact CG-CG 4.44Å; M565-M575 HydrophobicContact CG-SD 3.99Å; N569-M575 WeakPolarHBondContact O-CA 3.41Å; N569-M575 WeakPolarHBondContact O-CB 3.43Å; Y570-M575 HydrophobicContact CD2-CB 4.14Å; Y570-M575 HydrophobicContact CD2-CG 4.32Å; M575-K601 CarbonylContact O-C 3.52Å; M575-K601 WeakPolarHBondContact O-CA 3.3Å; M575-I602 HydrophobicContact CE-CD1 3.57Å; M575-I602 HydrophobicContact CE-CG1 3.76Å; M575-I602 HydrophobicContact CG-CG1 4.08Å; M575-I602 WeakPolarHBondContact CG-O 3.45Å; M575-I602 PolarHBondContact N-O 3.17Å; M575-I602 PolarHBondContact O-N 3.33Å
576	D	85.9	Confident	79.9	Confident	59 Å²	59	63.2 Å²	63.2	32%	0.316	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.6	178.1	-72	-41.4	0	0	0	113.1	T578 P599 K601	D576-T578 PolarHBondContact O-N 2.85Å; D576-P599 HydrophobicContact CB-CB 4.45Å; D576-P599 HydrophobicContact CB-CG 3.94Å; D576-P599 WeakPolarHBondContact OD1-CG 3.31Å; D576-K601 WeakPolarHBondContact OD1-CD 3.38Å; D576-K601 WeakPolarHBondContact OD1-CE 3.33Å; D576-K601 IonicContact OD1-NZ 3.63Å; D576-K601 PolarHBondContact OD1-NZ 2.97Å; D576-K601 IonicContact OD2-NZ 2.72Å; D576-K601 PolarHBondContact OD2-NZ 3.41Å
577	L	85.1	Confident	80.7	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	35%	0.354	C	S	.	.			trans	-73.3	93.6	172	178.6	53.8	0	0	0	110.5	Y536 S579 Q580 C592 P600 I602	Y536-L577 HydrophobicContact CE1-CD1 4.46Å; Y536-L577 HydrophobicContact CE2-CD1 3.69Å; Y536-L577 VanDerWaalsContact OH-CD1 3.29Å; Y536-L577 WeakPolarHBondContact OH-CD1 3.47Å; L577-S579 PolarHBondContact O-N 3.5Å; L577-Q580 HydrophobicContact CD2-CB 4.04Å; L577-Q580 HydrophobicContact CD2-CG 4.06Å; L577-Q580 HydrophobicContact CG-CB 4.2Å; L577-C592 HydrophobicContact CD2-CB 4.15Å; L577-P600 HydrophobicContact CB-CB 4.3Å; L577-P600 WeakPolarHBondContact CB-O 3.34Å; L577-P600 HydrophobicContact CD2-CB 4.5Å; L577-P600 HydrophobicContact CD2-CG 4.44Å; L577-P600 PolarHBondContact N-O 2.59Å; L577-I602 HydrophobicContact CB-CD1 4.37Å; L577-I602 HydrophobicContact CB-CG1 4.43Å; L577-I602 HydrophobicContact CB-CG2 4.32Å; L577-I602 HydrophobicContact CD1-CD1 3.91Å
578	T	77.6	Confident	81.9	Confident	100 Å²	100	54 Å²	54	61%	0.613	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11.1	-178.9	45.8	0	0	0	0	115.8	K563 D576	K563-T578 PolarHBondContact NZ-OG1 3.34Å; D576-T578 PolarHBondContact O-N 2.85Å
579	S	80.4	Confident	83.4	Confident	33 Å²	33	46.6 Å²	46.6	23%	0.231	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	53.8	-173.7	-43.3	0	0	0	0	110.8	K563 L577 G581 A582	K563-S579 PolarHBondContact NZ-OG 3.17Å; L577-S579 PolarHBondContact O-N 3.5Å; S579-G581 PolarHBondContact O-N 2.91Å; S579-A582 VanDerWaalsContact O-CB 3.3Å; S579-A582 WeakPolarHBondContact O-CB 3.07Å; S579-A582 PolarHBondContact O-N 3.39Å; S579-A582 VanDerWaalsContact O-N 3.11Å
580	Q	83.4	Confident	85.1	Confident	77 Å²	77	42.2 Å²	42.2	36%	0.36	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.4	178.9	-168	171.2	11.3	0	0	110.6	L577 C592 V594	L577-Q580 HydrophobicContact CD2-CB 4.04Å; L577-Q580 HydrophobicContact CD2-CG 4.06Å; L577-Q580 HydrophobicContact CG-CB 4.2Å; Q580-C592 PolarHBondContact NE2-O 3.01Å; Q580-V594 PolarHBondContact NE2-O 3.05Å
581	G	83.8	Confident	86.3	Confident	41 Å²	41	38.7 Å²	38.7	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-7.6	-174.2	0	0	0	0	0	115	S579 Y585	S579-G581 PolarHBondContact O-N 2.91Å; G581-Y585 VanDerWaalsContact O-CE1 3.32Å; G581-Y585 WeakPolarHBondContact O-CE1 3.33Å; G581-Y585 PolarHBondContact O-OH 3.16Å
582	A	86.2	Confident	87.8	Confident	29 Å²	29	36.9 Å²	36.9	24%	0.24	22%	0.22	C	C	.	.			trans	-84.4	157.4	167.8	0	0	0	0	0	112.2	L561 S579 L588	L561-A582 HydrophobicContact CD1-CB 4.45Å; L561-A582 HydrophobicContact CD2-CB 4.27Å; S579-A582 VanDerWaalsContact O-CB 3.3Å; S579-A582 WeakPolarHBondContact O-CB 3.07Å; S579-A582 PolarHBondContact O-N 3.39Å; S579-A582 VanDerWaalsContact O-N 3.11Å; A582-L588 WeakPolarHBondContact O-CD1 3.26Å
583	G	89.1	Confident	89.1	Confident	15 Å²	15	30.7 Å²	30.7	16%	0.155	18%	0.18	C	C	.	.	S	Bend	trans	97.7	178.4	-179.7	0	0	0	0	0	113.4	Q631	G583-Q631 PolarHBondContact O-OE1 3.24Å
584	T	94	Very high	90.2	Very high	22 Å²	22	28.3 Å²	28.3	14%	0.135	17%	0.17	C	C	.	.			trans	-98.2	103.4	-176.3	-49.9	0	0	0	0	110.7	D537 K539 W586 Y587	D537-T584 PolarHBondContact OD1-N 2.98Å; D537-T584 VanDerWaalsContact OD1-N 3.13Å; D537-T584 PolarHBondContact OD1-OG1 2.93Å; K539-T584 HydrophobicContact CD-CG2 4.22Å; K539-T584 WeakPolarHBondContact CD-OG1 3.15Å; K539-T584 PolarHBondContact NZ-OG1 3.36Å; K539-T584 VanDerWaalsContact NZ-OG1 3.11Å; T584-W586 VanDerWaalsContact C-N 3.29Å; T584-W586 HydrophobicContact CG2-CE3 3.72Å; T584-W586 HydrophobicContact CG2-CZ3 4.03Å; T584-W586 PolarHBondContact O-N 3.14Å; T584-Y587 HydrophobicContact CG2-CD2 3.68Å; T584-Y587 HydrophobicContact CG2-CE2 3.75Å; T584-Y587 PolarHBondContact O-N 2.79Å
585	Y	97	Very high	90.5	Very high	25 Å²	25	34.4 Å²	34.4	10%	0.098	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.1	-159.6	-65.9	-10.7	0	0	0	116.5	G581 Y587 L588 F593 Q631 I634 L635	G581-Y585 VanDerWaalsContact O-CE1 3.32Å; G581-Y585 WeakPolarHBondContact O-CE1 3.33Å; G581-Y585 PolarHBondContact O-OH 3.16Å; Y585-Y587 PolarHBondContact O-N 2.81Å; Y585-L588 HydrophobicContact CD1-CD1 3.97Å; Y585-L588 PolarHBondContact O-N 3.19Å; Y585-F593 AromaticContact CD1-CE1 3.98Å; Y585-F593 HydrophobicContact CD1-CE1 3.98Å; Y585-F593 HydrophobicContact CD1-CZ 4.07Å; Y585-F593 HydrophobicContact CD2-CE1 4.13Å; Y585-F593 HydrophobicContact CE1-CE1 4.49Å; Y585-F593 AromaticContact CG-CE1 3.78Å; Y585-F593 HydrophobicContact CG-CE1 3.78Å; Y585-F593 AromaticContact CG-CZ 3.93Å; Y585-F593 HydrophobicContact CG-CZ 3.93Å; Y585-Q631 HydrophobicContact CD2-CB 3.59Å; Y585-Q631 HydrophobicContact CD2-CG 4.03Å; Y585-Q631 WeakPolarHBondContact CD2-O 3.36Å; Y585-Q631 HydrophobicContact CE2-CB 3.81Å; Y585-Q631 HydrophobicContact CG-CB 4.36Å; Y585-Q631 HydrophobicContact CG-CG 4.32Å; Y585-I634 HydrophobicContact CD2-CG2 4.32Å; Y585-L635 HydrophobicContact CD2-CD1 4.43Å; Y585-L635 HydrophobicContact CD2-CD2 4.19Å; Y585-L635 HydrophobicContact CD2-CG 3.93Å; Y585-L635 HydrophobicContact CE2-CD1 3.42Å; Y585-L635 VanDerWaalsContact CE2-CD1 3.42Å; Y585-L635 HydrophobicContact CE2-CD2 3.72Å; Y585-L635 HydrophobicContact CE2-CG 3.36Å
586	W	97.9	Very high	90.4	Very high	31 Å²	31	36.5 Å²	36.5	12%	0.117	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62	-24.7	177.4	-60.3	-86.8	0	0	0	114.1	T584 K623 G626 Q629 Q631 I634	T584-W586 VanDerWaalsContact C-N 3.29Å; T584-W586 HydrophobicContact CG2-CE3 3.72Å; T584-W586 HydrophobicContact CG2-CZ3 4.03Å; T584-W586 PolarHBondContact O-N 3.14Å; W586-K623 HydrophobicContact CB-CD 3.76Å; W586-K623 HydrophobicContact CD2-CD 4.15Å; W586-K623 VanDerWaalsContact CE2-CE 3.45Å; W586-K623 HydrophobicContact CG-CD 3.58Å; W586-G626 PolarHBondContact NE1-O 2.74Å; W586-Q629 WeakPolarHBondContact CZ2-O 3.28Å; W586-Q631 HydrophobicContact CE3-CG 4.34Å; W586-Q631 HydrophobicContact CH2-CG 3.87Å; W586-Q631 HydrophobicContact CZ3-CG 3.63Å; W586-I634 HydrophobicContact CD2-CD1 3.99Å; W586-I634 HydrophobicContact CG-CD1 3.95Å; W586-I634 HydrophobicContact CZ2-CD1 4.48Å
587	Y	98.4	Very high	90.3	Very high	15 Å²	15	44 Å²	44	6%	0.059	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-105.2	1.9	-177.3	-50	-86	0	0	0	112.6	L538 K539 P540 T584 Y585 S610 V613 I614 Q617	L538-Y587 WeakPolarHBondContact O-CB 3.33Å; K539-Y587 HydrophobicContact CB-CD1 4.46Å; K539-Y587 HydrophobicContact CB-CD2 3.71Å; K539-Y587 HydrophobicContact CB-CE1 4.46Å; K539-Y587 HydrophobicContact CB-CE2 3.69Å; K539-Y587 HydrophobicContact CB-CG 4.11Å; P540-Y587 VanDerWaalsContact CD-CE1 3.43Å; P540-Y587 WeakPolarHBondContact CD-OH 3.49Å; P540-Y587 HydrophobicContact CG-CE1 4.16Å; T584-Y587 HydrophobicContact CG2-CD2 3.68Å; T584-Y587 HydrophobicContact CG2-CE2 3.75Å; T584-Y587 PolarHBondContact O-N 2.79Å; Y585-Y587 PolarHBondContact O-N 2.81Å; Y587-S610 PolarHBondContact O-OG 2.76Å; Y587-V613 HydrophobicContact CD1-CB 3.92Å; Y587-V613 HydrophobicContact CD1-CG1 3.37Å; Y587-V613 HydrophobicContact CE1-CG1 3.63Å; Y587-V613 HydrophobicContact CG-CG1 4.26Å; Y587-I614 HydrophobicContact CD1-CG1 3.98Å; Y587-I614 HydrophobicContact CE1-CG1 4.05Å; Y587-Q617 PolarHBondContact OH-OE1 2.83Å
588	L	97.8	Very high	90.3	Very high	4 Å²	4	51 Å²	51	2%	0.021	29%	0.293	C	S	.	.	S	Bend	trans	-92.9	144.8	175.4	-64.7	-178.8	0	0	0	110.5	Y536 A582 Y585 C592 F593 V606 W609 I640	Y536-L588 HydrophobicContact CE1-CD2 4.33Å; Y536-L588 HydrophobicContact CE2-CD2 4.44Å; Y536-L588 WeakPolarHBondContact O-CD2 3.48Å; A582-L588 WeakPolarHBondContact O-CD1 3.26Å; Y585-L588 HydrophobicContact CD1-CD1 3.97Å; Y585-L588 PolarHBondContact O-N 3.19Å; L588-C592 HydrophobicContact CB-CB 4.43Å; L588-F593 HydrophobicContact CB-CE2 3.73Å; L588-F593 HydrophobicContact CB-CZ 3.97Å; L588-F593 HydrophobicContact CD1-CZ 4.39Å; L588-V606 HydrophobicContact CD2-CG1 4.45Å; L588-W609 VanDerWaalsContact C-CD1 3.48Å; L588-W609 PolarHBondContact O-NE1 3.11Å; L588-I640 WeakPolarHBondContact O-CG2 3.43Å
589	P	97.7	Very high	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.			trans	-82.8	166.1	-179.4	37.4	-41.2	0	0	0	112.9	E591 C592 F593 V606 W609	P589-E591 VanDerWaalsContact C-N 3.31Å; P589-E591 VanDerWaalsContact CB-CD 3.48Å; P589-E591 WeakPolarHBondContact CB-OE1 3.38Å; P589-E591 WeakPolarHBondContact CB-OE2 3.35Å; P589-E591 HydrophobicContact CG-CG 4.06Å; P589-E591 WeakPolarHBondContact CG-OE1 3.33Å; P589-E591 PolarHBondContact O-N 2.88Å; P589-C592 PolarHBondContact O-N 2.86Å; P589-C592 VanDerWaalsContact O-N 3.17Å; P589-F593 VanDerWaalsContact O-CD2 3.28Å; P589-F593 WeakPolarHBondContact O-CD2 3.39Å; P589-F593 WeakPolarHBondContact O-CE2 3.41Å; P589-V606 HydrophobicContact CG-CB 4.28Å; P589-V606 HydrophobicContact CG-CG1 4.17Å; P589-V606 HydrophobicContact CG-CG2 3.96Å; P589-W609 HydrophobicContact CB-CB 3.78Å; P589-W609 HydrophobicContact CB-CD2 3.8Å; P589-W609 HydrophobicContact CB-CE3 4.21Å; P589-W609 HydrophobicContact CB-CG 3.6Å; P589-W609 HydrophobicContact CG-CB 4.46Å
590	P	97.2	Very high	91.1	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.026	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-54.7	-38.7	-176.4	-25.8	34.3	0	0	0	114.8	C592 F593 W609 I640 L641 Y668	P590-C592 PolarHBondContact O-N 2.91Å; P590-F593 PolarHBondContact O-N 3.31Å; P590-W609 HydrophobicContact CG-CH2 3.99Å; P590-W609 HydrophobicContact CG-CZ2 4.46Å; P590-W609 HydrophobicContact CG-CZ3 4.26Å; P590-I640 HydrophobicContact CG-CG2 4.17Å; P590-L641 HydrophobicContact CB-CD2 4.42Å; P590-L641 VanDerWaalsContact O-CD2 3.28Å; P590-L641 WeakPolarHBondContact O-CD2 3.47Å; P590-Y668 HydrophobicContact CB-CD2 4.04Å; P590-Y668 HydrophobicContact CB-CE2 3.65Å; P590-Y668 HydrophobicContact CG-CD2 3.52Å; P590-Y668 HydrophobicContact CG-CE2 3.63Å; P590-Y668 HydrophobicContact CG-CG 4.39Å
591	E	95.4	Very high	91.5	Very high	20 Å²	20	47.8 Å²	47.8	9%	0.093	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.6	-178.8	60.3	-87.7	-159.1	0	0	113.4	P589 F593 V594 P600 I602 K670 R673	P589-E591 VanDerWaalsContact C-N 3.31Å; P589-E591 VanDerWaalsContact CB-CD 3.48Å; P589-E591 WeakPolarHBondContact CB-OE1 3.38Å; P589-E591 WeakPolarHBondContact CB-OE2 3.35Å; P589-E591 HydrophobicContact CG-CG 4.06Å; P589-E591 WeakPolarHBondContact CG-OE1 3.33Å; P589-E591 PolarHBondContact O-N 2.88Å; E591-F593 PolarHBondContact O-N 3.28Å; E591-V594 PolarHBondContact O-N 2.92Å; E591-P600 VanDerWaalsContact O-CB 3.24Å; E591-P600 WeakPolarHBondContact O-CB 3.48Å; E591-P600 WeakPolarHBondContact O-CG 3.46Å; E591-I602 HydrophobicContact CG-CG2 4.49Å; E591-K670 HydrophobicContact CG-CD 4.43Å; E591-R673 IonicContact OE1-CZ 3.16Å; E591-R673 IonicContact OE1-NH1 3.28Å; E591-R673 PolarHBondContact OE1-NH1 2.98Å; E591-R673 IonicContact OE1-NH2 3.88Å; E591-R673 IonicContact OE2-CZ 2.65Å; E591-R673 IonicContact OE2-NH1 3.78Å; E591-R673 IonicContact OE2-NH2 2.75Å; E591-R673 PolarHBondContact OE2-NH2 3.36Å
592	C	95.1	Very high	91.9	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.027	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.2	-16.5	178	-65.6	0	0	0	0	113.6	L577 Q580 L588 P589 P590	L577-C592 HydrophobicContact CD2-CB 4.15Å; Q580-C592 PolarHBondContact NE2-O 3.01Å; L588-C592 HydrophobicContact CB-CB 4.43Å; P589-C592 PolarHBondContact O-N 2.86Å; P589-C592 VanDerWaalsContact O-N 3.17Å; P590-C592 PolarHBondContact O-N 2.91Å
593	F	94.6	Very high	92.3	Very high	23 Å²	23	45.1 Å²	45.1	10%	0.101	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-102	-2.8	-176.7	-62.5	-87.3	0	0	0	113.3	Y585 L588 P589 P590 E591 V595 I634 L635 I640 L641	Y585-F593 AromaticContact CD1-CE1 3.98Å; Y585-F593 HydrophobicContact CD1-CE1 3.98Å; Y585-F593 HydrophobicContact CD1-CZ 4.07Å; Y585-F593 HydrophobicContact CD2-CE1 4.13Å; Y585-F593 HydrophobicContact CE1-CE1 4.49Å; Y585-F593 AromaticContact CG-CE1 3.78Å; Y585-F593 HydrophobicContact CG-CE1 3.78Å; Y585-F593 AromaticContact CG-CZ 3.93Å; Y585-F593 HydrophobicContact CG-CZ 3.93Å; L588-F593 HydrophobicContact CB-CE2 3.73Å; L588-F593 HydrophobicContact CB-CZ 3.97Å; L588-F593 HydrophobicContact CD1-CZ 4.39Å; P589-F593 VanDerWaalsContact O-CD2 3.28Å; P589-F593 WeakPolarHBondContact O-CD2 3.39Å; P589-F593 WeakPolarHBondContact O-CE2 3.41Å; P590-F593 PolarHBondContact O-N 3.31Å; E591-F593 PolarHBondContact O-N 3.28Å; F593-V595 PolarHBondContact O-N 2.87Å; F593-I634 HydrophobicContact CE1-CG2 4.41Å; F593-L635 HydrophobicContact CD1-CD2 3.81Å; F593-L635 HydrophobicContact CE1-CD2 3.95Å; F593-I640 HydrophobicContact CD2-CB 3.84Å; F593-I640 HydrophobicContact CD2-CG1 4.4Å; F593-I640 HydrophobicContact CD2-CG2 3.82Å; F593-I640 HydrophobicContact CE2-CB 3.74Å; F593-I640 HydrophobicContact CE2-CG1 3.82Å; F593-I640 HydrophobicContact CE2-CG2 3.67Å; F593-I640 HydrophobicContact CG-CB 4.49Å; F593-I640 HydrophobicContact CZ-CB 4.29Å; F593-I640 HydrophobicContact CZ-CG1 3.94Å; F593-L641 HydrophobicContact CB-CD1 4.19Å; F593-L641 HydrophobicContact CB-CD2 3.92Å; F593-L641 HydrophobicContact CB-CG 3.82Å
594	V	90.4	Very high	92.6	Very high	76 Å²	76	45 Å²	45	46%	0.461	24%	0.24	S	C	.	.			trans	-70.9	119.9	177.4	179.8	0	0	0	0	108.9	Q580 E591 P600 L641	Q580-V594 PolarHBondContact NE2-O 3.05Å; E591-V594 PolarHBondContact O-N 2.92Å; V594-P600 VanDerWaalsContact O-CG 3.3Å; V594-P600 WeakPolarHBondContact O-CG 3.42Å; V594-L641 HydrophobicContact CG2-CD2 4.02Å
595	V	86.9	Confident	92.8	Very high	130 Å²	130	45.8 Å²	45.8	79%	0.788	24%	0.242	S	C	*	.			trans	-102.6	121.3	175.4	-176.8	0	0	0	0	108.1	F593	F593-V595 PolarHBondContact O-N 2.87Å
596	G	84.7	Confident	92.8	Very high	53 Å²	53	44.6 Å²	44.6	55%	0.546	24%	0.237	S	C	.	.	S	Bend	trans	-148.2	-174.8	-177.6	0	0	0	0	0	112	E598	G596-E598 VanDerWaalsContact C-N 3.31Å
597	K	83.8	Confident	92.8	Very high	215 Å²	215	43.2 Å²	43.2	94%	0.935	23%	0.232	S	C	*	.	S	Bend	trans	-65.9	-37.5	173.8	-70.5	-174.5	178.4	-177.3	0	111.9
598	E	85.7	Confident	92.8	Very high	154 Å²	154	42.5 Å²	42.5	72%	0.72	23%	0.229	S	C	*	.	S	Bend	trans	-101.2	145	176.8	-60.8	-58.7	148.8	0	0	109.9	G596	G596-E598 VanDerWaalsContact C-N 3.31Å
599	P	85.9	Confident	92.9	Very high	50 Å²	50	42.3 Å²	42.3	33%	0.325	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.3	152.1	175.4	27.3	-33.7	0	0	0	111.5	D576	D576-P599 HydrophobicContact CB-CB 4.45Å; D576-P599 HydrophobicContact CB-CG 3.94Å; D576-P599 WeakPolarHBondContact OD1-CG 3.31Å
600	P	88.4	Confident	92.9	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.084	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61	139.1	175.2	-25.2	34.5	0	0	0	112.9	L577 E591 V594	L577-P600 HydrophobicContact CB-CB 4.3Å; L577-P600 WeakPolarHBondContact CB-O 3.34Å; L577-P600 HydrophobicContact CD2-CB 4.5Å; L577-P600 HydrophobicContact CD2-CG 4.44Å; L577-P600 PolarHBondContact N-O 2.59Å; E591-P600 VanDerWaalsContact O-CB 3.24Å; E591-P600 WeakPolarHBondContact O-CB 3.48Å; E591-P600 WeakPolarHBondContact O-CG 3.46Å; V594-P600 VanDerWaalsContact O-CG 3.3Å; V594-P600 WeakPolarHBondContact O-CG 3.42Å
601	K	90.9	Very high	93	Very high	80 Å²	80	42.2 Å²	42.2	35%	0.348	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127	169.6	-61.4	-67.4	-176.6	-176.8	0	110.6	M575 D576	M575-K601 CarbonylContact O-C 3.52Å; M575-K601 WeakPolarHBondContact O-CA 3.3Å; D576-K601 WeakPolarHBondContact OD1-CD 3.38Å; D576-K601 WeakPolarHBondContact OD1-CE 3.33Å; D576-K601 IonicContact OD1-NZ 3.63Å; D576-K601 PolarHBondContact OD1-NZ 2.97Å; D576-K601 IonicContact OD2-NZ 2.72Å; D576-K601 PolarHBondContact OD2-NZ 3.41Å
602	I	93.1	Very high	93.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.8	-179.3	61.3	164.1	0	0	0	112	Y536 M575 L577 E591 V606	Y536-I602 HydrophobicContact CD2-CD1 3.88Å; Y536-I602 HydrophobicContact CE2-CD1 3.76Å; M575-I602 HydrophobicContact CE-CD1 3.57Å; M575-I602 HydrophobicContact CE-CG1 3.76Å; M575-I602 HydrophobicContact CG-CG1 4.08Å; M575-I602 WeakPolarHBondContact CG-O 3.45Å; M575-I602 PolarHBondContact N-O 3.17Å; M575-I602 PolarHBondContact O-N 3.33Å; L577-I602 HydrophobicContact CB-CD1 4.37Å; L577-I602 HydrophobicContact CB-CG1 4.43Å; L577-I602 HydrophobicContact CB-CG2 4.32Å; L577-I602 HydrophobicContact CD1-CD1 3.91Å; E591-I602 HydrophobicContact CG-CG2 4.49Å; I602-V606 HydrophobicContact CB-CG2 3.83Å; I602-V606 HydrophobicContact CG2-CG2 4Å
603	S	94.4	Very high	93.3	Very high	13 Å²	13	41 Å²	41	9%	0.091	22%	0.222	C	C	.	.			trans	-145	-174.5	176.2	69	0	0	0	0	110.4	I534 K605 V606	I534-S603 VanDerWaalsContact CD1-C 3.47Å; S603-K605 PolarHBondContact O-N 3.31Å; S603-K605 WeakPolarHBondContact OG-CG 3.5Å; S603-K605 PolarHBondContact OG-N 3.03Å; S603-V606 WeakPolarHBondContact O-CG2 3.47Å; S603-V606 PolarHBondContact O-N 3.25Å
604	N	95.2	Very high	93.5	Very high	13 Å²	13	40 Å²	40	7%	0.07	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.1	175.3	70	9	0	0	0	114.1	N527 M565 V606 D607 D675 V676	N527-N604 PolarHBondContact ND2-ND2 2.96Å; M565-N604 HydrophobicContact CE-CB 4.3Å; N604-V606 PolarHBondContact O-N 3.19Å; N604-D607 PolarHBondContact O-N 3.4Å; N604-D607 VanDerWaalsContact O-N 3.15Å; N604-D675 WeakPolarHBondContact OD1-CB 3.38Å; N604-V676 HydrophobicContact CB-CB 4.39Å; N604-V676 HydrophobicContact CB-CG2 3.73Å; N604-V676 WeakPolarHBondContact O-CG2 3.35Å
605	K	97.4	Very high	93.9	Very high	38 Å²	38	36.3 Å²	36.3	17%	0.165	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-14.9	174.1	-61.8	-167.9	-178.2	-161.5	0	113.9	S603 W609 K670 R673 D675	S603-K605 PolarHBondContact O-N 3.31Å; S603-K605 WeakPolarHBondContact OG-CG 3.5Å; S603-K605 PolarHBondContact OG-N 3.03Å; K605-W609 PolarHBondContact O-N 2.92Å; K605-K670 WeakPolarHBondContact CD-O 3.44Å; K605-K670 WeakPolarHBondContact CE-O 3.48Å; K605-K670 PolarHBondContact NZ-O 2.79Å; K605-R673 HydrophobicContact CD-CB 4.41Å; K605-R673 WeakPolarHBondContact CD-O 3.5Å; K605-R673 VanDerWaalsContact CE-O 3.26Å; K605-R673 WeakPolarHBondContact CE-O 3.27Å; K605-R673 PolarHBondContact NZ-O 2.76Å; K605-R673 WeakPolarHBondContact O-CD 3.26Å; K605-R673 PolarHBondContact O-NH1 2.89Å; K605-R673 VanDerWaalsContact O-NH1 3.07Å; K605-D675 HydrophobicContact CG-CB 4.17Å
606	V	97.5	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-48.2	170.3	173.7	0	0	0	0	110.5	I534 Y536 L588 P589 I602 S603 N604 V608 W609 S610	I534-V606 HydrophobicContact CG2-CB 4.47Å; Y536-V606 HydrophobicContact CD2-CG1 3.96Å; Y536-V606 HydrophobicContact CE2-CG1 4.27Å; L588-V606 HydrophobicContact CD2-CG1 4.45Å; P589-V606 HydrophobicContact CG-CB 4.28Å; P589-V606 HydrophobicContact CG-CG1 4.17Å; P589-V606 HydrophobicContact CG-CG2 3.96Å; I602-V606 HydrophobicContact CB-CG2 3.83Å; I602-V606 HydrophobicContact CG2-CG2 4Å; S603-V606 WeakPolarHBondContact O-CG2 3.47Å; S603-V606 PolarHBondContact O-N 3.25Å; N604-V606 PolarHBondContact O-N 3.19Å; V606-V608 VanDerWaalsContact C-N 3.28Å; V606-V608 PolarHBondContact O-N 3.43Å; V606-W609 WeakPolarHBondContact O-CB 3.49Å; V606-W609 PolarHBondContact O-N 3.27Å; V606-S610 PolarHBondContact O-N 3.05Å; V606-S610 PolarHBondContact O-OG 3.2Å
607	D	98.4	Very high	95.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-31.6	-179.6	-68.2	-25	0	0	0	111.6	L523 I534 H535 Y536 L538 N604 W609 S610 V611	L523-D607 HydrophobicContact CD1-CB 3.94Å; L523-D607 HydrophobicContact CD2-CB 3.93Å; I534-D607 WeakPolarHBondContact CG2-OD2 3.49Å; H535-D607 PolarHBondContact N-OD2 2.86Å; Y536-D607 PolarHBondContact N-OD1 3.44Å; L538-D607 HydrophobicContact CD1-CB 4.2Å; N604-D607 PolarHBondContact O-N 3.4Å; N604-D607 VanDerWaalsContact O-N 3.15Å; D607-W609 VanDerWaalsContact C-N 3.34Å; D607-W609 PolarHBondContact O-N 2.93Å; D607-S610 WeakPolarHBondContact O-CB 3.45Å; D607-S610 PolarHBondContact O-N 3.37Å; D607-V611 WeakPolarHBondContact O-CG2 3.43Å; D607-V611 PolarHBondContact O-N 3.19Å
608	V	98.7	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-42.8	173.6	173.7	0	0	0	0	111.7	V606 V611 G612 C665 R673 V674 V676 L679	V606-V608 VanDerWaalsContact C-N 3.28Å; V606-V608 PolarHBondContact O-N 3.43Å; V608-V611 PolarHBondContact O-N 3.45Å; V608-G612 PolarHBondContact O-N 3.36Å; V608-G612 VanDerWaalsContact O-N 3.09Å; V608-C665 HydrophobicContact CG1-CB 4.22Å; V608-R673 HydrophobicContact CG1-CG 4.13Å; V608-V674 HydrophobicContact CG1-CG2 3.89Å; V608-V674 WeakPolarHBondContact CG1-O 3.45Å; V608-V676 HydrophobicContact CG2-CG2 3.77Å; V608-L679 HydrophobicContact CB-CD2 4.47Å; V608-L679 HydrophobicContact CG1-CD2 4.19Å; V608-L679 HydrophobicContact CG2-CD2 4.11Å
609	W	98.8	Very high	96.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-45.9	175	177.2	-84.7	0	0	0	111.1	L588 P589 P590 K605 V606 D607 V611 G612 V613 F625 I640 A643 L666	L588-W609 VanDerWaalsContact C-CD1 3.48Å; L588-W609 PolarHBondContact O-NE1 3.11Å; P589-W609 HydrophobicContact CB-CB 3.78Å; P589-W609 HydrophobicContact CB-CD2 3.8Å; P589-W609 HydrophobicContact CB-CE3 4.21Å; P589-W609 HydrophobicContact CB-CG 3.6Å; P589-W609 HydrophobicContact CG-CB 4.46Å; P590-W609 HydrophobicContact CG-CH2 3.99Å; P590-W609 HydrophobicContact CG-CZ2 4.46Å; P590-W609 HydrophobicContact CG-CZ3 4.26Å; K605-W609 PolarHBondContact O-N 2.92Å; V606-W609 WeakPolarHBondContact O-CB 3.49Å; V606-W609 PolarHBondContact O-N 3.27Å; D607-W609 VanDerWaalsContact C-N 3.34Å; D607-W609 PolarHBondContact O-N 2.93Å; W609-V611 VanDerWaalsContact C-N 3.29Å; W609-V611 PolarHBondContact O-N 3.19Å; W609-G612 PolarHBondContact O-N 3.09Å; W609-V613 WeakPolarHBondContact O-CG2 3.4Å; W609-V613 PolarHBondContact O-N 2.83Å; W609-F625 HydrophobicContact CH2-CD2 4.41Å; W609-F625 AromaticContact CH2-CE2 3.71Å; W609-F625 HydrophobicContact CH2-CE2 3.71Å; W609-F625 HydrophobicContact CH2-CZ 4.32Å; W609-F625 AromaticContact CZ2-CD2 3.82Å; W609-F625 HydrophobicContact CZ2-CD2 3.82Å; W609-F625 AromaticContact CZ2-CE2 3.49Å; W609-F625 HydrophobicContact CZ2-CE2 3.49Å; W609-F625 VanDerWaalsContact CZ2-CE2 3.49Å; W609-F625 HydrophobicContact CZ2-CZ 4.5Å; W609-I640 HydrophobicContact CZ2-CG2 4.4Å; W609-A643 HydrophobicContact CH2-CB 4.3Å; W609-L666 HydrophobicContact CD2-CD2 3.66Å; W609-L666 HydrophobicContact CE3-CB 4.29Å; W609-L666 HydrophobicContact CE3-CD2 3.83Å; W609-L666 HydrophobicContact CG-CD2 4.08Å; W609-L666 HydrophobicContact CH2-CD2 4.47Å; W609-L666 HydrophobicContact CZ2-CD2 4.33Å; W609-L666 HydrophobicContact CZ3-CB 4.08Å; W609-L666 HydrophobicContact CZ3-CD2 4.24Å; W609-L666 WeakPolarHBondContact CZ3-O 3.27Å; W609-L666 WeakPolarHBondContact O-CD2 3.32Å
610	S	98.8	Very high	97	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	5%	0.045	C	C	.	.	H	α-helix	trans	-56.8	-43	177	-49.3	0	0	0	0	111.7	Y587 V606 D607 G612 V613 I614	Y587-S610 PolarHBondContact O-OG 2.76Å; V606-S610 PolarHBondContact O-N 3.05Å; V606-S610 PolarHBondContact O-OG 3.2Å; D607-S610 WeakPolarHBondContact O-CB 3.45Å; D607-S610 PolarHBondContact O-N 3.37Å; S610-G612 PolarHBondContact O-N 3.11Å; S610-V613 PolarHBondContact O-N 3.48Å; S610-I614 WeakPolarHBondContact O-CB 3.19Å; S610-I614 WeakPolarHBondContact O-CD1 3.36Å; S610-I614 WeakPolarHBondContact O-CG1 3.49Å; S610-I614 PolarHBondContact O-N 3.49Å
611	V	98.8	Very high	97.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.5	-45.1	173.9	170.9	0	0	0	0	111.7	V516 I519 V520 L523 L538 D607 V608 W609 V613 I614 F615 L679	V516-V611 HydrophobicContact CG1-CG1 3.83Å; I519-V611 HydrophobicContact CG2-CG2 3.79Å; V520-V611 HydrophobicContact CG2-CG1 4.2Å; L523-V611 HydrophobicContact CD1-CG2 3.64Å; L538-V611 HydrophobicContact CD1-CG2 4.33Å; D607-V611 WeakPolarHBondContact O-CG2 3.43Å; D607-V611 PolarHBondContact O-N 3.19Å; V608-V611 PolarHBondContact O-N 3.45Å; W609-V611 VanDerWaalsContact C-N 3.29Å; W609-V611 PolarHBondContact O-N 3.19Å; V611-V613 VanDerWaalsContact C-N 3.35Å; V611-V613 PolarHBondContact O-N 2.88Å; V611-I614 PolarHBondContact O-N 3.3Å; V611-F615 WeakPolarHBondContact O-CB 3.39Å; V611-F615 PolarHBondContact O-N 3.47Å; V611-L679 HydrophobicContact CG1-CD2 4.29Å
612	G	98.8	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.9	-42.8	176.8	0	0	0	0	0	113	V608 W609 S610 F616	V608-G612 PolarHBondContact O-N 3.36Å; V608-G612 VanDerWaalsContact O-N 3.09Å; W609-G612 PolarHBondContact O-N 3.09Å; S610-G612 PolarHBondContact O-N 3.11Å; G612-F616 WeakPolarHBondContact O-CB 3.41Å; G612-F616 PolarHBondContact O-N 2.85Å
613	V	98.8	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-46.9	176.7	175.3	0	0	0	0	111	Y587 W609 S610 V611 F615 F616 Q617 P624 L666	Y587-V613 HydrophobicContact CD1-CB 3.92Å; Y587-V613 HydrophobicContact CD1-CG1 3.37Å; Y587-V613 HydrophobicContact CE1-CG1 3.63Å; Y587-V613 HydrophobicContact CG-CG1 4.26Å; W609-V613 WeakPolarHBondContact O-CG2 3.4Å; W609-V613 PolarHBondContact O-N 2.83Å; S610-V613 PolarHBondContact O-N 3.48Å; V611-V613 VanDerWaalsContact C-N 3.35Å; V611-V613 PolarHBondContact O-N 2.88Å; V613-F615 VanDerWaalsContact C-N 3.34Å; V613-F615 PolarHBondContact O-N 3.32Å; V613-F616 PolarHBondContact O-N 3.31Å; V613-Q617 WeakPolarHBondContact O-CB 3.34Å; V613-Q617 PolarHBondContact O-N 3.24Å; V613-P624 HydrophobicContact CB-CG 4.42Å; V613-P624 HydrophobicContact CG1-CG 4.18Å; V613-P624 HydrophobicContact CG2-CG 4.1Å; V613-L666 HydrophobicContact CG2-CD2 3.77Å
614	I	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-46.1	178.4	-70	159.7	0	0	0	110.3	L497 I519 L538 P540 I543 Y587 S610 V611 Q617 C618	L497-I614 HydrophobicContact CD2-CG2 4.06Å; I519-I614 HydrophobicContact CD1-CG2 4.4Å; L538-I614 HydrophobicContact CB-CD1 4.24Å; P540-I614 HydrophobicContact CG-CG1 4.35Å; I543-I614 HydrophobicContact CD1-CD1 3.91Å; I543-I614 HydrophobicContact CD1-CG2 4.1Å; Y587-I614 HydrophobicContact CD1-CG1 3.98Å; Y587-I614 HydrophobicContact CE1-CG1 4.05Å; S610-I614 WeakPolarHBondContact O-CB 3.19Å; S610-I614 WeakPolarHBondContact O-CD1 3.36Å; S610-I614 WeakPolarHBondContact O-CG1 3.49Å; S610-I614 PolarHBondContact O-N 3.49Å; V611-I614 PolarHBondContact O-N 3.3Å; I614-Q617 PolarHBondContact O-N 3.44Å; I614-C618 PolarHBondContact O-N 3.47Å; I614-C618 PolarHBondContact O-SG 2.9Å
615	F	98.8	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.1	-45.3	-179.8	-173.7	-141	0	0	0	111.6	A512 V516 V611 V613 Q617 C618 L619 A658 F661 I662 Y684	A512-F615 HydrophobicContact CB-CD2 3.85Å; A512-F615 HydrophobicContact CB-CE2 3.62Å; V516-F615 HydrophobicContact CG2-CB 3.69Å; V516-F615 HydrophobicContact CG2-CD2 3.58Å; V516-F615 HydrophobicContact CG2-CE2 4.44Å; V516-F615 HydrophobicContact CG2-CG 3.75Å; V611-F615 WeakPolarHBondContact O-CB 3.39Å; V611-F615 PolarHBondContact O-N 3.47Å; V613-F615 VanDerWaalsContact C-N 3.34Å; V613-F615 PolarHBondContact O-N 3.32Å; F615-Q617 VanDerWaalsContact C-N 3.3Å; F615-Q617 PolarHBondContact O-N 3.46Å; F615-C618 PolarHBondContact O-N 3.24Å; F615-L619 HydrophobicContact CD1-CD1 4.47Å; F615-L619 HydrophobicContact CD2-CD1 4.23Å; F615-L619 HydrophobicContact CD2-CG 4.27Å; F615-L619 HydrophobicContact CE1-CD1 4.08Å; F615-L619 HydrophobicContact CE2-CD1 3.82Å; F615-L619 HydrophobicContact CE2-CD2 4.05Å; F615-L619 HydrophobicContact CE2-CG 3.99Å; F615-L619 HydrophobicContact CZ-CD1 3.71Å; F615-L619 HydrophobicContact CZ-CD2 4.47Å; F615-L619 HydrophobicContact CZ-CG 4.37Å; F615-L619 WeakPolarHBondContact O-CG 3.44Å; F615-L619 PolarHBondContact O-N 3.47Å; F615-A658 HydrophobicContact CE1-CB 4.06Å; F615-A658 HydrophobicContact CZ-CB 4.03Å; F615-F661 AromaticContact CD1-CD1 3.55Å; F615-F661 HydrophobicContact CD1-CD1 3.55Å; F615-F661 AromaticContact CD1-CE1 3.77Å; F615-F661 HydrophobicContact CD1-CE1 3.77Å; F615-F661 AromaticContact CE1-CD1 3.69Å; F615-F661 HydrophobicContact CE1-CD1 3.69Å; F615-F661 HydrophobicContact CE1-CE1 4.22Å; F615-I662 HydrophobicContact CD1-CD1 3.79Å; F615-I662 HydrophobicContact CD1-CG1 3.42Å; F615-I662 VanDerWaalsContact CD1-CG1 3.42Å; F615-I662 HydrophobicContact CE1-CD1 4.04Å; F615-I662 HydrophobicContact CE1-CG1 3.89Å; F615-I662 HydrophobicContact CG-CG1 4.37Å; F615-Y684 AromaticContact CE1-CE1 3.75Å; F615-Y684 HydrophobicContact CE1-CE1 3.75Å; F615-Y684 AromaticContact CZ-CE1 3.6Å; F615-Y684 HydrophobicContact CZ-CE1 3.6Å; F615-Y684 AromaticContact CZ-CZ 3.84Å; F615-Y684 WeakPolarHBondContact CZ-OH 3.33Å
616	F	98.8	Very high	98	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-56.8	-45.7	173.3	-176.7	-78.5	0	0	0	111.5	G612 V613 C618 L619 Y620 R622 P624 V646 Q647 F648 I662	G612-F616 WeakPolarHBondContact O-CB 3.41Å; G612-F616 PolarHBondContact O-N 2.85Å; V613-F616 PolarHBondContact O-N 3.31Å; F616-C618 VanDerWaalsContact C-N 3.34Å; F616-C618 PolarHBondContact O-N 3.02Å; F616-L619 PolarHBondContact O-N 3.31Å; F616-Y620 AromaticContact CD1-CD2 3.98Å; F616-Y620 HydrophobicContact CD1-CD2 3.98Å; F616-Y620 AromaticContact CD2-CD2 3.7Å; F616-Y620 HydrophobicContact CD2-CD2 3.7Å; F616-Y620 AromaticContact CD2-CE2 3.91Å; F616-Y620 HydrophobicContact CD2-CE2 3.91Å; F616-Y620 AromaticContact CE1-CD2 3.91Å; F616-Y620 HydrophobicContact CE1-CD2 3.91Å; F616-Y620 HydrophobicContact CE1-CG 4.22Å; F616-Y620 AromaticContact CE2-CD2 3.63Å; F616-Y620 HydrophobicContact CE2-CD2 3.63Å; F616-Y620 AromaticContact CE2-CE2 3.85Å; F616-Y620 HydrophobicContact CE2-CE2 3.85Å; F616-Y620 HydrophobicContact CE2-CG 4.45Å; F616-Y620 AromaticContact CG-CD2 3.88Å; F616-Y620 HydrophobicContact CG-CD2 3.88Å; F616-Y620 HydrophobicContact CG-CE2 4.48Å; F616-Y620 AromaticContact CZ-CD2 3.74Å; F616-Y620 HydrophobicContact CZ-CD2 3.74Å; F616-Y620 HydrophobicContact CZ-CE2 4.36Å; F616-Y620 HydrophobicContact CZ-CG 4.15Å; F616-Y620 WeakPolarHBondContact O-CD2 3.37Å; F616-Y620 PolarHBondContact O-N 2.93Å; F616-R622 WeakPolarHBondContact CD1-O 3.47Å; F616-R622 HydrophobicContact CE1-CG 4.03Å; F616-R622 WeakPolarHBondContact CE1-O 3.42Å; F616-P624 HydrophobicContact CB-CG 4.4Å; F616-P624 HydrophobicContact CD1-CB 3.79Å; F616-P624 HydrophobicContact CD1-CG 4.1Å; F616-P624 HydrophobicContact CD2-CB 4.11Å; F616-P624 HydrophobicContact CE1-CB 3.91Å; F616-P624 HydrophobicContact CE2-CB 4.21Å; F616-P624 HydrophobicContact CG-CB 3.9Å; F616-P624 HydrophobicContact CG-CG 4.2Å; F616-P624 HydrophobicContact CZ-CB 4.11Å; F616-V646 HydrophobicContact CD2-CG2 3.95Å; F616-V646 HydrophobicContact CE2-CG2 3.83Å; F616-Q647 WeakPolarHBondContact CE2-O 3.4Å; F616-F648 HydrophobicContact CD2-CD1 4.15Å; F616-F648 AromaticContact CD2-CE1 3.96Å; F616-F648 HydrophobicContact CD2-CE1 3.96Å; F616-F648 AromaticContact CE2-CD1 3.85Å; F616-F648 HydrophobicContact CE2-CD1 3.85Å; F616-F648 HydrophobicContact CE2-CE1 4.07Å; F616-I662 HydrophobicContact CB-CD1 4.31Å; F616-I662 HydrophobicContact CD2-CD1 4.44Å; F616-I662 HydrophobicContact CD2-CG2 4.37Å
617	Q	98.4	Very high	97.9	Very high	16 Å²	16	16.5 Å²	16.5	8%	0.075	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-38.2	-179.6	-171.6	-176.9	-5.2	0	0	112.4	L501 Y587 V613 I614 F615 L619 G621 R622 K623	L501-Q617 HydrophobicContact CD1-CG 4.1Å; Y587-Q617 PolarHBondContact OH-OE1 2.83Å; V613-Q617 WeakPolarHBondContact O-CB 3.34Å; V613-Q617 PolarHBondContact O-N 3.24Å; I614-Q617 PolarHBondContact O-N 3.44Å; F615-Q617 VanDerWaalsContact C-N 3.3Å; F615-Q617 PolarHBondContact O-N 3.46Å; Q617-L619 VanDerWaalsContact C-N 3.3Å; Q617-L619 PolarHBondContact O-N 3.5Å; Q617-G621 VanDerWaalsContact O-CA 3.25Å; Q617-G621 WeakPolarHBondContact O-CA 3.35Å; Q617-G621 PolarHBondContact O-N 2.86Å; Q617-R622 WeakPolarHBondContact CA-O 3.33Å; Q617-K623 HydrophobicContact CG-CG 4.46Å
618	C	98.4	Very high	97.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-39.8	175.6	-67.4	0	0	0	0	112.1	L506 M507 A512 I614 F615 F616	L506-C618 WeakPolarHBondContact CA-O 3.45Å; L506-C618 WeakPolarHBondContact CB-O 3.4Å; M507-C618 HydrophobicContact CE-CB 4.3Å; M507-C618 HydrophobicContact CG-CB 3.93Å; M507-C618 PolarHBondContact N-O 3.48Å; M507-C618 HydrophobicContact SD-CB 4.01Å; A512-C618 HydrophobicContact CB-CB 3.71Å; I614-C618 PolarHBondContact O-N 3.47Å; I614-C618 PolarHBondContact O-SG 2.9Å; F615-C618 PolarHBondContact O-N 3.24Å; F616-C618 VanDerWaalsContact C-N 3.34Å; F616-C618 PolarHBondContact O-N 3.02Å
619	L	98.3	Very high	97.6	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-79	-39.1	-177.1	-63	175.3	0	0	0	113.4	E509 A512 F615 F616 Q617 P652 V654 I662	E509-L619 HydrophobicContact CB-CD2 3.94Å; E509-L619 HydrophobicContact CG-CD2 4.15Å; A512-L619 HydrophobicContact CB-CD2 3.77Å; A512-L619 HydrophobicContact CB-CG 4.33Å; F615-L619 HydrophobicContact CD1-CD1 4.47Å; F615-L619 HydrophobicContact CD2-CD1 4.23Å; F615-L619 HydrophobicContact CD2-CG 4.27Å; F615-L619 HydrophobicContact CE1-CD1 4.08Å; F615-L619 HydrophobicContact CE2-CD1 3.82Å; F615-L619 HydrophobicContact CE2-CD2 4.05Å; F615-L619 HydrophobicContact CE2-CG 3.99Å; F615-L619 HydrophobicContact CZ-CD1 3.71Å; F615-L619 HydrophobicContact CZ-CD2 4.47Å; F615-L619 HydrophobicContact CZ-CG 4.37Å; F615-L619 WeakPolarHBondContact O-CG 3.44Å; F615-L619 PolarHBondContact O-N 3.47Å; F616-L619 PolarHBondContact O-N 3.31Å; Q617-L619 VanDerWaalsContact C-N 3.3Å; Q617-L619 PolarHBondContact O-N 3.5Å; L619-P652 WeakPolarHBondContact O-CG 3.35Å; L619-V654 HydrophobicContact CB-CG2 4.17Å; L619-V654 HydrophobicContact CD1-CG1 3.81Å; L619-V654 HydrophobicContact CD1-CG2 4.2Å; L619-V654 HydrophobicContact CD2-CG2 4.49Å; L619-I662 HydrophobicContact CD1-CD1 3.93Å
620	Y	97.6	Very high	97.4	Very high	16 Å²	16	27.1 Å²	27.1	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-109.5	-4.9	-170.1	-64.3	-72.5	0	0	0	114	F616 R622 F648 P649 P652 V654	F616-Y620 AromaticContact CD1-CD2 3.98Å; F616-Y620 HydrophobicContact CD1-CD2 3.98Å; F616-Y620 AromaticContact CD2-CD2 3.7Å; F616-Y620 HydrophobicContact CD2-CD2 3.7Å; F616-Y620 AromaticContact CD2-CE2 3.91Å; F616-Y620 HydrophobicContact CD2-CE2 3.91Å; F616-Y620 AromaticContact CE1-CD2 3.91Å; F616-Y620 HydrophobicContact CE1-CD2 3.91Å; F616-Y620 HydrophobicContact CE1-CG 4.22Å; F616-Y620 AromaticContact CE2-CD2 3.63Å; F616-Y620 HydrophobicContact CE2-CD2 3.63Å; F616-Y620 AromaticContact CE2-CE2 3.85Å; F616-Y620 HydrophobicContact CE2-CE2 3.85Å; F616-Y620 HydrophobicContact CE2-CG 4.45Å; F616-Y620 AromaticContact CG-CD2 3.88Å; F616-Y620 HydrophobicContact CG-CD2 3.88Å; F616-Y620 HydrophobicContact CG-CE2 4.48Å; F616-Y620 AromaticContact CZ-CD2 3.74Å; F616-Y620 HydrophobicContact CZ-CD2 3.74Å; F616-Y620 HydrophobicContact CZ-CE2 4.36Å; F616-Y620 HydrophobicContact CZ-CG 4.15Å; F616-Y620 WeakPolarHBondContact O-CD2 3.37Å; F616-Y620 PolarHBondContact O-N 2.93Å; Y620-R622 PolarHBondContact O-N 3.31Å; Y620-R622 VanDerWaalsContact O-N 3.09Å; Y620-F648 AromaticContact CE2-CD1 3.75Å; Y620-F648 HydrophobicContact CE2-CD1 3.75Å; Y620-F648 HydrophobicContact CE2-CE1 4.38Å; Y620-F648 AromaticContact CZ-CD1 3.93Å; Y620-P649 HydrophobicContact CD1-CB 3.91Å; Y620-P649 HydrophobicContact CD1-CG 3.61Å; Y620-P649 HydrophobicContact CE1-CB 4.03Å; Y620-P649 HydrophobicContact CE1-CG 4.03Å; Y620-P649 HydrophobicContact CG-CG 4.17Å; Y620-P652 HydrophobicContact CD1-CG 4.38Å; Y620-V654 HydrophobicContact CE1-CG2 4.01Å; Y620-V654 HydrophobicContact CE2-CG2 4.32Å; Y620-V654 WeakPolarHBondContact OH-CB 3.33Å; Y620-V654 WeakPolarHBondContact OH-CG2 3.45Å
621	G	96	Very high	97.2	Very high	30 Å²	30	29.6 Å²	29.6	31%	0.309	16%	0.155	S	C	.	.	S	Bend	trans	63.7	11.8	-177.9	0	0	0	0	0	114.5	K505 Q617	K505-G621 WeakPolarHBondContact O-CA 3.24Å; Q617-G621 VanDerWaalsContact O-CA 3.25Å; Q617-G621 WeakPolarHBondContact O-CA 3.35Å; Q617-G621 PolarHBondContact O-N 2.86Å
622	R	95.7	Very high	96.9	Very high	108 Å²	108	36.1 Å²	36.1	41%	0.408	19%	0.186	S	C	.	.	S	Bend	trans	-141.7	156.8	-178.7	74.2	-174.2	-162.2	169.9	10.4	110.5	F616 Q617 Y620 H627	F616-R622 WeakPolarHBondContact CD1-O 3.47Å; F616-R622 HydrophobicContact CE1-CG 4.03Å; F616-R622 WeakPolarHBondContact CE1-O 3.42Å; Q617-R622 WeakPolarHBondContact CA-O 3.33Å; Y620-R622 PolarHBondContact O-N 3.31Å; Y620-R622 VanDerWaalsContact O-N 3.09Å; R622-H627 VanDerWaalsContact CA-CE1 3.47Å; R622-H627 WeakPolarHBondContact CA-CE1 3.16Å
623	K	97.3	Very high	96.8	Very high	35 Å²	35	38.8 Å²	38.8	15%	0.152	20%	0.2	C	C	.	.			trans	-81	142.1	178.5	-58.6	-178.5	-66.5	-80.5	0	108.5	W586 Q617 F625 H627	W586-K623 HydrophobicContact CB-CD 3.76Å; W586-K623 HydrophobicContact CD2-CD 4.15Å; W586-K623 VanDerWaalsContact CE2-CE 3.45Å; W586-K623 HydrophobicContact CG-CD 3.58Å; Q617-K623 HydrophobicContact CG-CG 4.46Å; K623-F625 PolarHBondContact O-N 3.3Å; K623-H627 HydrophobicContact CB-CB 4.35Å; K623-H627 PolarHBondContact N-ND1 2.94Å; K623-H627 VanDerWaalsContact N-ND1 3.14Å; K623-H627 PolarHBondContact NZ-O 2.87Å; K623-H627 VanDerWaalsContact NZ-O 3.09Å
624	P	97.8	Very high	96.6	Very high	26 Å²	26	38.8 Å²	38.8	17%	0.169	20%	0.2	C	C	.	.	S	Bend	trans	-64.9	-31.7	-177.6	25.4	-31.8	0	0	0	112.1	V613 F616 V646 L666	V613-P624 HydrophobicContact CB-CG 4.42Å; V613-P624 HydrophobicContact CG1-CG 4.18Å; V613-P624 HydrophobicContact CG2-CG 4.1Å; F616-P624 HydrophobicContact CB-CG 4.4Å; F616-P624 HydrophobicContact CD1-CB 3.79Å; F616-P624 HydrophobicContact CD1-CG 4.1Å; F616-P624 HydrophobicContact CD2-CB 4.11Å; F616-P624 HydrophobicContact CE1-CB 3.91Å; F616-P624 HydrophobicContact CE2-CB 4.21Å; F616-P624 HydrophobicContact CG-CB 3.9Å; F616-P624 HydrophobicContact CG-CG 4.2Å; F616-P624 HydrophobicContact CZ-CB 4.11Å; P624-V646 HydrophobicContact CB-CG2 4.01Å; P624-L666 HydrophobicContact CB-CD1 4.45Å; P624-L666 HydrophobicContact CG-CD1 4.26Å
625	F	98.1	Very high	96.4	Very high	21 Å²	21	42.5 Å²	42.5	9%	0.092	22%	0.219	C	C	.	.	S	Bend	trans	-128.1	144.4	180	-46	-63	0	0	0	109.9	W609 K623 H627 I640 A643 V646 L666	W609-F625 HydrophobicContact CH2-CD2 4.41Å; W609-F625 AromaticContact CH2-CE2 3.71Å; W609-F625 HydrophobicContact CH2-CE2 3.71Å; W609-F625 HydrophobicContact CH2-CZ 4.32Å; W609-F625 AromaticContact CZ2-CD2 3.82Å; W609-F625 HydrophobicContact CZ2-CD2 3.82Å; W609-F625 AromaticContact CZ2-CE2 3.49Å; W609-F625 HydrophobicContact CZ2-CE2 3.49Å; W609-F625 VanDerWaalsContact CZ2-CE2 3.49Å; W609-F625 HydrophobicContact CZ2-CZ 4.5Å; K623-F625 PolarHBondContact O-N 3.3Å; F625-H627 VanDerWaalsContact C-N 3.28Å; F625-H627 PolarHBondContact O-N 3.22Å; F625-H627 VanDerWaalsContact O-N 3.13Å; F625-I640 HydrophobicContact CB-CD1 3.92Å; F625-A643 HydrophobicContact CD1-CB 3.6Å; F625-A643 HydrophobicContact CD2-CB 3.91Å; F625-A643 HydrophobicContact CE1-CB 3.63Å; F625-A643 HydrophobicContact CE2-CB 3.93Å; F625-A643 HydrophobicContact CG-CB 3.74Å; F625-A643 HydrophobicContact CZ-CB 3.8Å; F625-V646 HydrophobicContact CZ-CB 4.09Å; F625-L666 HydrophobicContact CE2-CD1 4.2Å
626	G	95.9	Very high	96.2	Very high	11 Å²	11	49.3 Å²	49.3	11%	0.113	25%	0.251	C	S	.	.			trans	57.7	27.3	173	0	0	0	0	0	116.3	W586 N628 Q629	W586-G626 PolarHBondContact NE1-O 2.74Å; G626-N628 VanDerWaalsContact C-N 3.27Å; G626-N628 PolarHBondContact O-N 2.85Å; G626-N628 VanDerWaalsContact O-N 3.09Å; G626-Q629 PolarHBondContact O-N 3.27Å
627	H	94.6	Very high	96.1	Very high	75 Å²	75	53.9 Å²	53.9	35%	0.347	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-42.4	-169	-179.6	55.3	0	0	0	115.2	R622 K623 F625	R622-H627 VanDerWaalsContact CA-CE1 3.47Å; R622-H627 WeakPolarHBondContact CA-CE1 3.16Å; K623-H627 HydrophobicContact CB-CB 4.35Å; K623-H627 PolarHBondContact N-ND1 2.94Å; K623-H627 VanDerWaalsContact N-ND1 3.14Å; K623-H627 PolarHBondContact NZ-O 2.87Å; K623-H627 VanDerWaalsContact NZ-O 3.09Å; F625-H627 VanDerWaalsContact C-N 3.28Å; F625-H627 PolarHBondContact O-N 3.22Å; F625-H627 VanDerWaalsContact O-N 3.13Å
628	N	94.6	Very high	95.9	Very high	134 Å²	134	56.9 Å²	56.9	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	13.4	-177.5	-63.6	-22.6	0	0	0	113.3	G626	G626-N628 VanDerWaalsContact C-N 3.27Å; G626-N628 PolarHBondContact O-N 2.85Å; G626-N628 VanDerWaalsContact O-N 3.09Å
629	Q	95.9	Very high	95.9	Very high	43 Å²	43	58 Å²	58	20%	0.201	30%	0.296	C	S	.	.			trans	-97.6	147	180	-74.5	179.9	-24.3	0	0	109.9	W586 G626 D633 I634 E637 T639	W586-Q629 WeakPolarHBondContact CZ2-O 3.28Å; G626-Q629 PolarHBondContact O-N 3.27Å; Q629-D633 HydrophobicContact CB-CB 3.98Å; Q629-D633 HydrophobicContact CG-CB 4.25Å; Q629-I634 HydrophobicContact CB-CG1 4.01Å; Q629-E637 PolarHBondContact NE2-OE2 2.82Å; Q629-T639 PolarHBondContact NE2-OG1 3.26Å; Q629-T639 VanDerWaalsContact OE1-CG2 3.3Å; Q629-T639 PolarHBondContact OE1-OG1 2.69Å
630	S	95.7	Very high	95.8	Very high	49 Å²	49	57.9 Å²	57.9	34%	0.343	30%	0.295	S	S	.	.			trans	-73.4	167.3	166.1	73.1	0	0	0	0	111	Q632 D633 I634	S630-Q632 PolarHBondContact O-N 3.25Å; S630-Q632 PolarHBondContact OG-N 3.31Å; S630-D633 VanDerWaalsContact CB-OD2 3.3Å; S630-D633 WeakPolarHBondContact CB-OD2 3.3Å; S630-D633 PolarHBondContact N-OD2 2.86Å; S630-D633 PolarHBondContact O-N 2.93Å; S630-D633 PolarHBondContact OG-N 3.5Å; S630-D633 VanDerWaalsContact OG-N 3.13Å; S630-D633 PolarHBondContact OG-OD2 3.5Å; S630-I634 WeakPolarHBondContact O-CG1 3.47Å; S630-I634 PolarHBondContact O-N 3.49Å
631	Q	93.3	Very high	95.7	Very high	52 Å²	52	59.1 Å²	59.1	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-33.8	172.7	-68.1	-157.9	124.3	0	0	112	G583 Y585 W586 I634 L635	G583-Q631 PolarHBondContact O-OE1 3.24Å; Y585-Q631 HydrophobicContact CD2-CB 3.59Å; Y585-Q631 HydrophobicContact CD2-CG 4.03Å; Y585-Q631 WeakPolarHBondContact CD2-O 3.36Å; Y585-Q631 HydrophobicContact CE2-CB 3.81Å; Y585-Q631 HydrophobicContact CG-CB 4.36Å; Y585-Q631 HydrophobicContact CG-CG 4.32Å; W586-Q631 HydrophobicContact CE3-CG 4.34Å; W586-Q631 HydrophobicContact CH2-CG 3.87Å; W586-Q631 HydrophobicContact CZ3-CG 3.63Å; Q631-I634 PolarHBondContact O-N 3.43Å; Q631-L635 PolarHBondContact O-N 3.01Å
632	Q	94.1	Very high	95.7	Very high	138 Å²	138	64.4 Å²	64.4	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-44.7	176	-177.5	177	-4.8	0	0	111.2	S630 I634 L635 Q636	S630-Q632 PolarHBondContact O-N 3.25Å; S630-Q632 PolarHBondContact OG-N 3.31Å; Q632-I634 VanDerWaalsContact C-N 3.32Å; Q632-I634 PolarHBondContact O-N 2.96Å; Q632-L635 PolarHBondContact O-N 3.42Å; Q632-Q636 WeakPolarHBondContact O-CB 3.33Å; Q632-Q636 PolarHBondContact O-N 3.29Å
633	D	96.2	Very high	95.7	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-39.8	177.7	-54.6	-39.2	0	0	0	111.1	Q629 S630 L635 Q636 E637	Q629-D633 HydrophobicContact CB-CB 3.98Å; Q629-D633 HydrophobicContact CG-CB 4.25Å; S630-D633 VanDerWaalsContact CB-OD2 3.3Å; S630-D633 WeakPolarHBondContact CB-OD2 3.3Å; S630-D633 PolarHBondContact N-OD2 2.86Å; S630-D633 PolarHBondContact O-N 2.93Å; S630-D633 PolarHBondContact OG-N 3.5Å; S630-D633 VanDerWaalsContact OG-N 3.13Å; S630-D633 PolarHBondContact OG-OD2 3.5Å; D633-L635 VanDerWaalsContact C-N 3.3Å; D633-L635 PolarHBondContact O-N 3.44Å; D633-Q636 PolarHBondContact O-N 2.96Å; D633-E637 VanDerWaalsContact O-CB 3.29Å; D633-E637 WeakPolarHBondContact O-CB 3.46Å; D633-E637 WeakPolarHBondContact O-CG 3.39Å; D633-E637 PolarHBondContact O-N 3.33Å
634	I	95.3	Very high	95.6	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-43.9	176.2	-75	172.9	0	0	0	111.8	Y585 W586 F593 Q629 S630 Q631 Q632 N638 T639 I640	Y585-I634 HydrophobicContact CD2-CG2 4.32Å; W586-I634 HydrophobicContact CD2-CD1 3.99Å; W586-I634 HydrophobicContact CG-CD1 3.95Å; W586-I634 HydrophobicContact CZ2-CD1 4.48Å; F593-I634 HydrophobicContact CE1-CG2 4.41Å; Q629-I634 HydrophobicContact CB-CG1 4.01Å; S630-I634 WeakPolarHBondContact O-CG1 3.47Å; S630-I634 PolarHBondContact O-N 3.49Å; Q631-I634 PolarHBondContact O-N 3.43Å; Q632-I634 VanDerWaalsContact C-N 3.32Å; Q632-I634 PolarHBondContact O-N 2.96Å; I634-N638 WeakPolarHBondContact O-CA 3.1Å; I634-N638 PolarHBondContact O-N 3.06Å; I634-N638 VanDerWaalsContact O-N 3.1Å; I634-T639 PolarHBondContact O-N 2.94Å; I634-I640 HydrophobicContact CG2-CD1 4.43Å; I634-I640 HydrophobicContact CG2-CG1 3.74Å
635	L	93.6	Very high	95.4	Very high	77 Å²	77	68 Å²	68	40%	0.403	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-49.7	176.6	-71.3	176.5	0	0	0	111.1	Y585 F593 Q631 Q632 D633 E637 N638	Y585-L635 HydrophobicContact CD2-CD1 4.43Å; Y585-L635 HydrophobicContact CD2-CD2 4.19Å; Y585-L635 HydrophobicContact CD2-CG 3.93Å; Y585-L635 HydrophobicContact CE2-CD1 3.42Å; Y585-L635 VanDerWaalsContact CE2-CD1 3.42Å; Y585-L635 HydrophobicContact CE2-CD2 3.72Å; Y585-L635 HydrophobicContact CE2-CG 3.36Å; F593-L635 HydrophobicContact CD1-CD2 3.81Å; F593-L635 HydrophobicContact CE1-CD2 3.95Å; Q631-L635 PolarHBondContact O-N 3.01Å; Q632-L635 PolarHBondContact O-N 3.42Å; D633-L635 VanDerWaalsContact C-N 3.3Å; D633-L635 PolarHBondContact O-N 3.44Å; L635-E637 VanDerWaalsContact C-N 3.33Å; L635-E637 PolarHBondContact O-N 2.72Å; L635-N638 PolarHBondContact O-N 3.23Å; L635-N638 PolarHBondContact O-OD1 3.14Å
636	Q	94.5	Very high	95.3	Very high	144 Å²	144	67.4 Å²	67.4	67%	0.673	34%	0.343	S	S	*	.	H	α-helix	trans	-64.3	-38.9	-175.2	-174.3	173.5	-6.6	0	0	112.2	Q632 D633	Q632-Q636 WeakPolarHBondContact O-CB 3.33Å; Q632-Q636 PolarHBondContact O-N 3.29Å; D633-Q636 PolarHBondContact O-N 2.96Å
637	E	96	Very high	95.4	Very high	96 Å²	96	74.1 Å²	74.1	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-89	-4.2	-179.4	-63.9	-174	-161.1	0	0	113.4	Q629 D633 L635 T639 K642	Q629-E637 PolarHBondContact NE2-OE2 2.82Å; D633-E637 VanDerWaalsContact O-CB 3.29Å; D633-E637 WeakPolarHBondContact O-CB 3.46Å; D633-E637 WeakPolarHBondContact O-CG 3.39Å; D633-E637 PolarHBondContact O-N 3.33Å; L635-E637 VanDerWaalsContact C-N 3.33Å; L635-E637 PolarHBondContact O-N 2.72Å; E637-T639 PolarHBondContact O-N 2.94Å; E637-K642 WeakPolarHBondContact O-CE 3.47Å; E637-K642 PolarHBondContact O-NZ 2.83Å
638	N	96	Very high	95.5	Very high	80 Å²	80	72.5 Å²	72.5	43%	0.428	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.2	-174.9	-67.7	-55.1	0	0	0	112.2	I634 L635 I640 L641 K642	I634-N638 WeakPolarHBondContact O-CA 3.1Å; I634-N638 PolarHBondContact O-N 3.06Å; I634-N638 VanDerWaalsContact O-N 3.1Å; L635-N638 PolarHBondContact O-N 3.23Å; L635-N638 PolarHBondContact O-OD1 3.14Å; N638-I640 VanDerWaalsContact C-N 3.33Å; N638-I640 PolarHBondContact O-N 3Å; N638-L641 HydrophobicContact CB-CB 4.22Å; N638-L641 HydrophobicContact CB-CD1 4.21Å; N638-L641 PolarHBondContact O-N 3.31Å; N638-L641 VanDerWaalsContact O-N 3.16Å; N638-K642 WeakPolarHBondContact O-CG 3.26Å; N638-K642 PolarHBondContact O-N 3.36Å; N638-K642 VanDerWaalsContact O-N 3.12Å
639	T	96.8	Very high	95.6	Very high	24 Å²	24	67.3 Å²	67.3	15%	0.147	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-44.5	-170.4	-57.4	0	0	0	0	112.2	Q629 I634 E637 K642 A643	Q629-T639 PolarHBondContact NE2-OG1 3.26Å; Q629-T639 VanDerWaalsContact OE1-CG2 3.3Å; Q629-T639 PolarHBondContact OE1-OG1 2.69Å; I634-T639 PolarHBondContact O-N 2.94Å; E637-T639 PolarHBondContact O-N 2.94Å; T639-K642 PolarHBondContact O-N 3.47Å; T639-A643 PolarHBondContact O-N 3.33Å
640	I	96.8	Very high	95.5	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.005	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.2	-179.2	-52.4	-55.8	0	0	0	111.3	L588 P590 F593 W609 F625 I634 N638 K642 A643	L588-I640 WeakPolarHBondContact O-CG2 3.43Å; P590-I640 HydrophobicContact CG-CG2 4.17Å; F593-I640 HydrophobicContact CD2-CB 3.84Å; F593-I640 HydrophobicContact CD2-CG1 4.4Å; F593-I640 HydrophobicContact CD2-CG2 3.82Å; F593-I640 HydrophobicContact CE2-CB 3.74Å; F593-I640 HydrophobicContact CE2-CG1 3.82Å; F593-I640 HydrophobicContact CE2-CG2 3.67Å; F593-I640 HydrophobicContact CG-CB 4.49Å; F593-I640 HydrophobicContact CZ-CB 4.29Å; F593-I640 HydrophobicContact CZ-CG1 3.94Å; W609-I640 HydrophobicContact CZ2-CG2 4.4Å; F625-I640 HydrophobicContact CB-CD1 3.92Å; I634-I640 HydrophobicContact CG2-CD1 4.43Å; I634-I640 HydrophobicContact CG2-CG1 3.74Å; N638-I640 VanDerWaalsContact C-N 3.33Å; N638-I640 PolarHBondContact O-N 3Å; I640-K642 PolarHBondContact O-N 3.47Å; I640-A643 WeakPolarHBondContact O-CB 3.44Å; I640-A643 PolarHBondContact O-N 3.02Å
641	L	95.6	Very high	95.4	Very high	41 Å²	41	77.4 Å²	77.4	22%	0.215	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.9	174	-69.7	174.7	0	0	0	112.9	P590 F593 V594 N638 Y668	P590-L641 HydrophobicContact CB-CD2 4.42Å; P590-L641 VanDerWaalsContact O-CD2 3.28Å; P590-L641 WeakPolarHBondContact O-CD2 3.47Å; F593-L641 HydrophobicContact CB-CD1 4.19Å; F593-L641 HydrophobicContact CB-CD2 3.92Å; F593-L641 HydrophobicContact CB-CG 3.82Å; V594-L641 HydrophobicContact CG2-CD2 4.02Å; N638-L641 HydrophobicContact CB-CB 4.22Å; N638-L641 HydrophobicContact CB-CD1 4.21Å; N638-L641 PolarHBondContact O-N 3.31Å; N638-L641 VanDerWaalsContact O-N 3.16Å; L641-Y668 WeakPolarHBondContact O-CE2 3.26Å; L641-Y668 PolarHBondContact O-OH 3.43Å
642	K	95.9	Very high	95.5	Very high	141 Å²	141	77.3 Å²	77.3	61%	0.613	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	0.2	174.6	-66.2	169.1	-178.8	166.3	0	113.5	E637 N638 T639 I640 T644	E637-K642 WeakPolarHBondContact O-CE 3.47Å; E637-K642 PolarHBondContact O-NZ 2.83Å; N638-K642 WeakPolarHBondContact O-CG 3.26Å; N638-K642 PolarHBondContact O-N 3.36Å; N638-K642 VanDerWaalsContact O-N 3.12Å; T639-K642 PolarHBondContact O-N 3.47Å; I640-K642 PolarHBondContact O-N 3.47Å; K642-T644 PolarHBondContact O-N 3.47Å
643	A	94.8	Very high	95.6	Very high	6 Å²	6	77 Å²	77	5%	0.05	40%	0.396	C	S	.	.			trans	-78.2	54.4	-176.8	0	0	0	0	0	112.7	W609 F625 T639 I640 E645 Y668	W609-A643 HydrophobicContact CH2-CB 4.3Å; F625-A643 HydrophobicContact CD1-CB 3.6Å; F625-A643 HydrophobicContact CD2-CB 3.91Å; F625-A643 HydrophobicContact CE1-CB 3.63Å; F625-A643 HydrophobicContact CE2-CB 3.93Å; F625-A643 HydrophobicContact CG-CB 3.74Å; F625-A643 HydrophobicContact CZ-CB 3.8Å; T639-A643 PolarHBondContact O-N 3.33Å; I640-A643 WeakPolarHBondContact O-CB 3.44Å; I640-A643 PolarHBondContact O-N 3.02Å; A643-E645 VanDerWaalsContact C-N 3.35Å; A643-E645 PolarHBondContact O-N 2.86Å; A643-Y668 WeakPolarHBondContact O-CD2 3.48Å
644	T	95.3	Very high	95.7	Very high	100 Å²	100	74.7 Å²	74.7	61%	0.613	38%	0.384	S	S	*	.			trans	-72	-26.8	-174.5	53.9	0	0	0	0	113.5	K642 Y668	K642-T644 PolarHBondContact O-N 3.47Å; T644-Y668 HydrophobicContact CG2-CD2 4.12Å; T644-Y668 HydrophobicContact CG2-CE2 4.12Å; T644-Y668 HydrophobicContact CG2-CG 4.32Å
645	E	93.8	Very high	95.8	Very high	140 Å²	140	76.1 Å²	76.1	65%	0.654	39%	0.394	S	S	*	.	S	Bend	trans	-142.8	141.1	177.4	-171.6	178.2	-164	0	0	111.3	A643	A643-E645 VanDerWaalsContact C-N 3.35Å; A643-E645 PolarHBondContact O-N 2.86Å
646	V	97.1	Very high	96	Very high	8 Å²	8	78.1 Å²	78.1	5%	0.048	41%	0.405	C	S	.	.			trans	-88.9	130.5	173.9	59.1	0	0	0	0	111.4	F616 P624 F625 F648 I662 R663 L666	F616-V646 HydrophobicContact CD2-CG2 3.95Å; F616-V646 HydrophobicContact CE2-CG2 3.83Å; P624-V646 HydrophobicContact CB-CG2 4.01Å; F625-V646 HydrophobicContact CZ-CB 4.09Å; V646-F648 HydrophobicContact CG1-CE2 3.8Å; V646-F648 HydrophobicContact CG1-CZ 3.7Å; V646-F648 HydrophobicContact CG2-CE1 4.34Å; V646-F648 HydrophobicContact CG2-CZ 4.17Å; V646-I662 HydrophobicContact CG1-CG2 4.37Å; V646-I662 HydrophobicContact CG2-CG2 4.43Å; V646-R663 HydrophobicContact CG1-CG 3.91Å; V646-L666 HydrophobicContact CB-CD1 4.11Å; V646-L666 HydrophobicContact CG1-CD1 4.44Å; V646-L666 HydrophobicContact CG2-CD1 3.99Å
647	Q	97.1	Very high	96.2	Very high	152 Å²	152	77 Å²	77	71%	0.71	40%	0.4	S	S	*	.			trans	-102.3	135.1	176.6	-63.4	-176	7.2	0	0	112	F616	F616-Q647 WeakPolarHBondContact CE2-O 3.4Å
648	F	97.8	Very high	96.3	Very high	40 Å²	40	72.4 Å²	72.4	18%	0.175	38%	0.378	C	S	.	.			trans	-106	124.2	-178.1	-61.3	-80.1	0	0	0	111.4	F616 Y620 V646 K659 I662 R663	F616-F648 HydrophobicContact CD2-CD1 4.15Å; F616-F648 AromaticContact CD2-CE1 3.96Å; F616-F648 HydrophobicContact CD2-CE1 3.96Å; F616-F648 AromaticContact CE2-CD1 3.85Å; F616-F648 HydrophobicContact CE2-CD1 3.85Å; F616-F648 HydrophobicContact CE2-CE1 4.07Å; Y620-F648 AromaticContact CE2-CD1 3.75Å; Y620-F648 HydrophobicContact CE2-CD1 3.75Å; Y620-F648 HydrophobicContact CE2-CE1 4.38Å; Y620-F648 AromaticContact CZ-CD1 3.93Å; V646-F648 HydrophobicContact CG1-CE2 3.8Å; V646-F648 HydrophobicContact CG1-CZ 3.7Å; V646-F648 HydrophobicContact CG2-CE1 4.34Å; V646-F648 HydrophobicContact CG2-CZ 4.17Å; F648-K659 HydrophobicContact CB-CD 4.4Å; F648-K659 HydrophobicContact CD1-CD 4.45Å; F648-K659 HydrophobicContact CD1-CG 3.84Å; F648-K659 HydrophobicContact CD2-CB 4.41Å; F648-K659 HydrophobicContact CD2-CD 4.32Å; F648-K659 HydrophobicContact CD2-CG 4.23Å; F648-K659 HydrophobicContact CE1-CB 4.18Å; F648-K659 HydrophobicContact CE1-CG 3.94Å; F648-K659 HydrophobicContact CE2-CB 4.09Å; F648-K659 HydrophobicContact CE2-CG 4.33Å; F648-K659 HydrophobicContact CG-CD 4.13Å; F648-K659 HydrophobicContact CG-CG 3.98Å; F648-K659 HydrophobicContact CZ-CB 3.95Å; F648-K659 HydrophobicContact CZ-CG 4.18Å; F648-I662 HydrophobicContact CE1-CB 4.08Å; F648-I662 HydrophobicContact CE1-CD1 3.87Å; F648-I662 HydrophobicContact CE1-CG2 3.88Å; F648-I662 HydrophobicContact CZ-CB 4.02Å; F648-I662 HydrophobicContact CZ-CG2 3.85Å; F648-R663 HydrophobicContact CE2-CG 4.1Å; F648-R663 HydrophobicContact CZ-CG 4.25Å
649	P	96.5	Very high	96.4	Very high	26 Å²	26	70.5 Å²	70.5	17%	0.169	37%	0.366	C	S	.	.			trans	-54.1	150.1	167.6	-26.8	35	0	0	0	113.1	Y620 K651	Y620-P649 HydrophobicContact CD1-CB 3.91Å; Y620-P649 HydrophobicContact CD1-CG 3.61Å; Y620-P649 HydrophobicContact CE1-CB 4.03Å; Y620-P649 HydrophobicContact CE1-CG 4.03Å; Y620-P649 HydrophobicContact CG-CG 4.17Å; P649-K651 VanDerWaalsContact C-N 3.28Å; P649-K651 VanDerWaalsContact CB-O 3.31Å; P649-K651 WeakPolarHBondContact CB-O 3.42Å; P649-K651 PolarHBondContact O-N 3.24Å
650	V	94.4	Very high	96.4	Very high	129 Å²	129	70.9 Å²	70.9	78%	0.782	37%	0.372	S	S	*	.	S	Bend	trans	-67.7	-31.4	172.8	-177.1	0	0	0	0	111.4
651	K	93.6	Very high	96.5	Very high	175 Å²	175	70.9 Å²	70.9	76%	0.761	37%	0.372	S	S	*	.	S	Bend	trans	-128.5	141.6	178.6	-67.6	-173.4	178.4	-178.9	0	111.1	P649	P649-K651 VanDerWaalsContact C-N 3.28Å; P649-K651 VanDerWaalsContact CB-O 3.31Å; P649-K651 WeakPolarHBondContact CB-O 3.42Å; P649-K651 PolarHBondContact O-N 3.24Å
652	P	94.9	Very high	96.7	Very high	49 Å²	49	68.9 Å²	68.9	32%	0.318	36%	0.361	S	S	.	.	S	Bend	cis	-64.4	158.8	-8.9	29.4	-36.5	0	0	0	112.4	L506 L619 Y620 V654	L506-P652 HydrophobicContact CD2-CG 4.1Å; L619-P652 WeakPolarHBondContact O-CG 3.35Å; Y620-P652 HydrophobicContact CD1-CG 4.38Å; P652-V654 PolarHBondContact O-N 2.98Å
653	V	96.1	Very high	96.8	Very high	131 Å²	131	67.7 Å²	67.7	79%	0.794	35%	0.353	S	S	*	.			trans	-73.1	128.4	175.9	-179.1	0	0	0	0	108.3
654	V	97.4	Very high	97	Very high	8 Å²	8	71.5 Å²	71.5	5%	0.048	37%	0.366	C	S	.	.			trans	-127.9	142.5	179.8	170	0	0	0	0	107.7	L619 Y620 P652 A658 K659	L619-V654 HydrophobicContact CB-CG2 4.17Å; L619-V654 HydrophobicContact CD1-CG1 3.81Å; L619-V654 HydrophobicContact CD1-CG2 4.2Å; L619-V654 HydrophobicContact CD2-CG2 4.49Å; Y620-V654 HydrophobicContact CE1-CG2 4.01Å; Y620-V654 HydrophobicContact CE2-CG2 4.32Å; Y620-V654 WeakPolarHBondContact OH-CB 3.33Å; Y620-V654 WeakPolarHBondContact OH-CG2 3.45Å; P652-V654 PolarHBondContact O-N 2.98Å; V654-A658 HydrophobicContact CG1-CB 3.57Å; V654-K659 HydrophobicContact CG1-CG 4.25Å; V654-K659 WeakPolarHBondContact O-CE 3.35Å; V654-K659 PolarHBondContact O-NZ 3.3Å
655	S	97.9	Very high	97.1	Very high	31 Å²	31	66.8 Å²	66.8	22%	0.217	34%	0.337	C	S	.	.			trans	-58.1	154.5	-178.4	73.8	0	0	0	0	112.7	E509 E657 A658 K659	E509-S655 VanDerWaalsContact OE1-CB 3.26Å; E509-S655 WeakPolarHBondContact OE1-CB 3.37Å; E509-S655 PolarHBondContact OE1-OG 3.25Å; E509-S655 PolarHBondContact OE2-N 3.31Å; E509-S655 PolarHBondContact OE2-OG 2.75Å; S655-E657 WeakPolarHBondContact CB-OE2 3.42Å; S655-E657 PolarHBondContact O-N 3.48Å; S655-A658 PolarHBondContact O-N 2.94Å; S655-A658 VanDerWaalsContact OG-CB 3.23Å; S655-A658 WeakPolarHBondContact OG-CB 3.34Å; S655-A658 PolarHBondContact OG-N 2.98Å; S655-K659 WeakPolarHBondContact O-CG 3.42Å; S655-K659 PolarHBondContact O-N 3.38Å; S655-K659 VanDerWaalsContact O-N 3.15Å
656	N	97.8	Very high	97.4	Very high	119 Å²	119	60.4 Å²	60.4	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-69.1	-29.9	177.2	-75.5	-27.6	0	0	0	111	K659 A660	N656-K659 PolarHBondContact O-N 2.96Å; N656-A660 VanDerWaalsContact O-CB 3.28Å; N656-A660 WeakPolarHBondContact O-CB 3.45Å; N656-A660 PolarHBondContact O-N 3.45Å
657	E	97.6	Very high	97.4	Very high	120 Å²	120	61 Å²	61	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-63.6	-47.6	175.7	-62.7	74.6	-169.1	0	0	110.7	S655 A660 F661 Y684	S655-E657 WeakPolarHBondContact CB-OE2 3.42Å; S655-E657 PolarHBondContact O-N 3.48Å; E657-A660 PolarHBondContact O-N 3.01Å; E657-F661 WeakPolarHBondContact O-CB 3.5Å; E657-F661 PolarHBondContact O-N 2.95Å; E657-Y684 HydrophobicContact CB-CD2 3.83Å; E657-Y684 HydrophobicContact CB-CE2 4.17Å
658	A	98.1	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-42.5	175	0	0	0	0	0	111.9	E509 F615 V654 S655 A660 F661 I662 Y684	E509-A658 HydrophobicContact CG-CB 4.37Å; F615-A658 HydrophobicContact CE1-CB 4.06Å; F615-A658 HydrophobicContact CZ-CB 4.03Å; V654-A658 HydrophobicContact CG1-CB 3.57Å; S655-A658 PolarHBondContact O-N 2.94Å; S655-A658 VanDerWaalsContact OG-CB 3.23Å; S655-A658 WeakPolarHBondContact OG-CB 3.34Å; S655-A658 PolarHBondContact OG-N 2.98Å; A658-A660 VanDerWaalsContact C-N 3.35Å; A658-A660 PolarHBondContact O-N 3.18Å; A658-F661 WeakPolarHBondContact O-CB 3.26Å; A658-F661 PolarHBondContact O-N 3.38Å; A658-I662 WeakPolarHBondContact O-CG1 3.46Å; A658-I662 PolarHBondContact O-N 3.38Å; A658-Y684 HydrophobicContact CB-CE1 4.48Å; A658-Y684 HydrophobicContact CB-CE2 3.83Å
659	K	98.5	Very high	97.4	Very high	40 Å²	40	62.4 Å²	62.4	17%	0.174	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-40.6	174.7	-68	172.8	-176.1	166.5	0	111.9	F648 V654 S655 N656 I662 R663	F648-K659 HydrophobicContact CB-CD 4.4Å; F648-K659 HydrophobicContact CD1-CD 4.45Å; F648-K659 HydrophobicContact CD1-CG 3.84Å; F648-K659 HydrophobicContact CD2-CB 4.41Å; F648-K659 HydrophobicContact CD2-CD 4.32Å; F648-K659 HydrophobicContact CD2-CG 4.23Å; F648-K659 HydrophobicContact CE1-CB 4.18Å; F648-K659 HydrophobicContact CE1-CG 3.94Å; F648-K659 HydrophobicContact CE2-CB 4.09Å; F648-K659 HydrophobicContact CE2-CG 4.33Å; F648-K659 HydrophobicContact CG-CD 4.13Å; F648-K659 HydrophobicContact CG-CG 3.98Å; F648-K659 HydrophobicContact CZ-CB 3.95Å; F648-K659 HydrophobicContact CZ-CG 4.18Å; V654-K659 HydrophobicContact CG1-CG 4.25Å; V654-K659 WeakPolarHBondContact O-CE 3.35Å; V654-K659 PolarHBondContact O-NZ 3.3Å; S655-K659 WeakPolarHBondContact O-CG 3.42Å; S655-K659 PolarHBondContact O-N 3.38Å; S655-K659 VanDerWaalsContact O-N 3.15Å; N656-K659 PolarHBondContact O-N 2.96Å; K659-I662 PolarHBondContact O-N 3.42Å; K659-R663 WeakPolarHBondContact O-CG 3.43Å; K659-R663 PolarHBondContact O-N 3.12Å
660	A	98.3	Very high	97.4	Very high	32 Å²	32	63.9 Å²	63.9	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-41.2	176.7	0	0	0	0	0	111.6	N656 E657 A658 R663 R664	N656-A660 VanDerWaalsContact O-CB 3.28Å; N656-A660 WeakPolarHBondContact O-CB 3.45Å; N656-A660 PolarHBondContact O-N 3.45Å; E657-A660 PolarHBondContact O-N 3.01Å; A658-A660 VanDerWaalsContact C-N 3.35Å; A658-A660 PolarHBondContact O-N 3.18Å; A660-R663 PolarHBondContact O-N 2.87Å; A660-R664 PolarHBondContact O-N 3.3Å; A660-R664 VanDerWaalsContact O-N 3.08Å; A660-R664 PolarHBondContact O-NH1 2.67Å
661	F	98.6	Very high	97.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-47.7	172.4	176	-92.1	0	0	0	111.9	V516 F615 E657 A658 R663 R664 C665 L679 D682 Y684 L685	V516-F661 HydrophobicContact CG1-CE1 3.98Å; V516-F661 HydrophobicContact CG1-CZ 3.85Å; F615-F661 AromaticContact CD1-CD1 3.55Å; F615-F661 HydrophobicContact CD1-CD1 3.55Å; F615-F661 AromaticContact CD1-CE1 3.77Å; F615-F661 HydrophobicContact CD1-CE1 3.77Å; F615-F661 AromaticContact CE1-CD1 3.69Å; F615-F661 HydrophobicContact CE1-CD1 3.69Å; F615-F661 HydrophobicContact CE1-CE1 4.22Å; E657-F661 WeakPolarHBondContact O-CB 3.5Å; E657-F661 PolarHBondContact O-N 2.95Å; A658-F661 WeakPolarHBondContact O-CB 3.26Å; A658-F661 PolarHBondContact O-N 3.38Å; F661-R663 VanDerWaalsContact C-N 3.33Å; F661-R663 PolarHBondContact O-N 3.47Å; F661-R664 PolarHBondContact O-N 3.01Å; F661-C665 PolarHBondContact O-N 3.04Å; F661-C665 VanDerWaalsContact O-N 3.08Å; F661-C665 PolarHBondContact O-SG 2.84Å; F661-L679 HydrophobicContact CD2-CD1 4.41Å; F661-L679 HydrophobicContact CE2-CD1 3.45Å; F661-L679 VanDerWaalsContact CE2-CD1 3.45Å; F661-L679 HydrophobicContact CE2-CG 4.42Å; F661-L679 HydrophobicContact CZ-CD1 3.63Å; F661-L679 HydrophobicContact CZ-CG 4.45Å; F661-D682 HydrophobicContact CD2-CB 4.26Å; F661-D682 HydrophobicContact CE2-CB 4.14Å; F661-Y684 HydrophobicContact CB-CD1 3.83Å; F661-Y684 HydrophobicContact CB-CG 3.93Å; F661-Y684 HydrophobicContact CD1-CD1 4.04Å; F661-Y684 HydrophobicContact CD1-CE1 4.43Å; F661-Y684 AromaticContact CD2-CD1 3.82Å; F661-Y684 HydrophobicContact CD2-CD1 3.82Å; F661-Y684 HydrophobicContact CD2-CG 4.23Å; F661-Y684 HydrophobicContact CE2-CD1 4.39Å; F661-Y684 AromaticContact CG-CD1 3.62Å; F661-Y684 HydrophobicContact CG-CD1 3.62Å; F661-Y684 HydrophobicContact CG-CE1 4.39Å; F661-Y684 HydrophobicContact CG-CG 4.13Å; F661-L685 HydrophobicContact CD2-CG 4.48Å; F661-L685 HydrophobicContact CE2-CD1 3.77Å; F661-L685 HydrophobicContact CE2-CD2 4.01Å; F661-L685 HydrophobicContact CE2-CG 3.73Å; F661-L685 HydrophobicContact CZ-CD1 3.95Å; F661-L685 HydrophobicContact CZ-CD2 4.03Å; F661-L685 HydrophobicContact CZ-CG 4.15Å
662	I	98.7	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-43.2	176.4	-68.8	167.2	0	0	0	111.1	F615 F616 L619 V646 F648 A658 K659 R664 C665 L666	F615-I662 HydrophobicContact CD1-CD1 3.79Å; F615-I662 HydrophobicContact CD1-CG1 3.42Å; F615-I662 VanDerWaalsContact CD1-CG1 3.42Å; F615-I662 HydrophobicContact CE1-CD1 4.04Å; F615-I662 HydrophobicContact CE1-CG1 3.89Å; F615-I662 HydrophobicContact CG-CG1 4.37Å; F616-I662 HydrophobicContact CB-CD1 4.31Å; F616-I662 HydrophobicContact CD2-CD1 4.44Å; F616-I662 HydrophobicContact CD2-CG2 4.37Å; L619-I662 HydrophobicContact CD1-CD1 3.93Å; V646-I662 HydrophobicContact CG1-CG2 4.37Å; V646-I662 HydrophobicContact CG2-CG2 4.43Å; F648-I662 HydrophobicContact CE1-CB 4.08Å; F648-I662 HydrophobicContact CE1-CD1 3.87Å; F648-I662 HydrophobicContact CE1-CG2 3.88Å; F648-I662 HydrophobicContact CZ-CB 4.02Å; F648-I662 HydrophobicContact CZ-CG2 3.85Å; A658-I662 WeakPolarHBondContact O-CG1 3.46Å; A658-I662 PolarHBondContact O-N 3.38Å; K659-I662 PolarHBondContact O-N 3.42Å; I662-R664 VanDerWaalsContact C-N 3.34Å; I662-R664 PolarHBondContact O-N 3.49Å; I662-C665 PolarHBondContact O-N 3.06Å; I662-L666 HydrophobicContact CG2-CD1 3.6Å; I662-L666 HydrophobicContact CG2-CG 4.11Å; I662-L666 WeakPolarHBondContact O-CB 3.33Å; I662-L666 WeakPolarHBondContact O-CG 3.25Å; I662-L666 PolarHBondContact O-N 2.9Å
663	R	98.6	Very high	97.7	Very high	116 Å²	116	57.3 Å²	57.3	44%	0.438	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-38.6	177.4	-72	-174.7	-165.6	98.5	-5.9	112.9	V646 F648 K659 A660 F661 L666 A667	V646-R663 HydrophobicContact CG1-CG 3.91Å; F648-R663 HydrophobicContact CE2-CG 4.1Å; F648-R663 HydrophobicContact CZ-CG 4.25Å; K659-R663 WeakPolarHBondContact O-CG 3.43Å; K659-R663 PolarHBondContact O-N 3.12Å; A660-R663 PolarHBondContact O-N 2.87Å; F661-R663 VanDerWaalsContact C-N 3.33Å; F661-R663 PolarHBondContact O-N 3.47Å; R663-L666 CarbonylContact O-C 3.57Å; R663-L666 PolarHBondContact O-N 3.02Å; R663-A667 PolarHBondContact O-N 3.37Å; R663-A667 VanDerWaalsContact O-N 3.14Å
664	R	98.3	Very high	97.8	Very high	86 Å²	86	52.2 Å²	52.2	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-39.5	175	-71.7	-171	-65.8	-82.2	5.4	112.1	A660 F661 I662 V674 D682	A660-R664 PolarHBondContact O-N 3.3Å; A660-R664 VanDerWaalsContact O-N 3.08Å; A660-R664 PolarHBondContact O-NH1 2.67Å; F661-R664 PolarHBondContact O-N 3.01Å; I662-R664 VanDerWaalsContact C-N 3.34Å; I662-R664 PolarHBondContact O-N 3.49Å; R664-V674 HydrophobicContact CB-CG1 4.39Å; R664-D682 IonicContact CZ-OD1 2.97Å; R664-D682 IonicContact CZ-OD2 3.5Å; R664-D682 IonicContact NE-OD2 2.65Å; R664-D682 PolarHBondContact NE-OD2 3.42Å; R664-D682 IonicContact NH2-OD1 2.58Å; R664-D682 PolarHBondContact NH2-OD1 3Å; R664-D682 IonicContact NH2-OD2 2.79Å; R664-D682 PolarHBondContact NH2-OD2 3.08Å
665	C	98.6	Very high	97.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-40.2	175.6	-60.4	0	0	0	0	112.3	V608 F661 I662 R673	V608-C665 HydrophobicContact CG1-CB 4.22Å; F661-C665 PolarHBondContact O-N 3.04Å; F661-C665 VanDerWaalsContact O-N 3.08Å; F661-C665 PolarHBondContact O-SG 2.84Å; I662-C665 PolarHBondContact O-N 3.06Å; C665-R673 WeakPolarHBondContact O-CD 3.38Å; C665-R673 WeakPolarHBondContact O-CG 3.46Å
666	L	98.6	Very high	97.7	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	28.6	-175.7	-58	-176.5	0	0	0	113.2	W609 V613 P624 F625 V646 I662 R663 Y668	W609-L666 HydrophobicContact CD2-CD2 3.66Å; W609-L666 HydrophobicContact CE3-CB 4.29Å; W609-L666 HydrophobicContact CE3-CD2 3.83Å; W609-L666 HydrophobicContact CG-CD2 4.08Å; W609-L666 HydrophobicContact CH2-CD2 4.47Å; W609-L666 HydrophobicContact CZ2-CD2 4.33Å; W609-L666 HydrophobicContact CZ3-CB 4.08Å; W609-L666 HydrophobicContact CZ3-CD2 4.24Å; W609-L666 WeakPolarHBondContact CZ3-O 3.27Å; W609-L666 WeakPolarHBondContact O-CD2 3.32Å; V613-L666 HydrophobicContact CG2-CD2 3.77Å; P624-L666 HydrophobicContact CB-CD1 4.45Å; P624-L666 HydrophobicContact CG-CD1 4.26Å; F625-L666 HydrophobicContact CE2-CD1 4.2Å; V646-L666 HydrophobicContact CB-CD1 4.11Å; V646-L666 HydrophobicContact CG1-CD1 4.44Å; V646-L666 HydrophobicContact CG2-CD1 3.99Å; I662-L666 HydrophobicContact CG2-CD1 3.6Å; I662-L666 HydrophobicContact CG2-CG 4.11Å; I662-L666 WeakPolarHBondContact O-CB 3.33Å; I662-L666 WeakPolarHBondContact O-CG 3.25Å; I662-L666 PolarHBondContact O-N 2.9Å; R663-L666 CarbonylContact O-C 3.57Å; R663-L666 PolarHBondContact O-N 3.02Å; L666-Y668 PolarHBondContact O-N 2.92Å
667	A	98.4	Very high	97.5	Very high	19 Å²	19	50.2 Å²	50.2	16%	0.157	23%	0.233	C	C	.	.			trans	-63.3	124.2	171.1	0	0	0	0	0	109.2	R663 D672 R673	R663-A667 PolarHBondContact O-N 3.37Å; R663-A667 VanDerWaalsContact O-N 3.14Å; A667-D672 HydrophobicContact CB-CB 4.3Å; A667-R673 HydrophobicContact CB-CB 3.91Å; A667-R673 HydrophobicContact CB-CG 4.22Å; A667-R673 PolarHBondContact O-NE 3.26Å; A667-R673 PolarHBondContact O-NH2 3.44Å
668	Y	97.9	Very high	97.5	Very high	79 Å²	79	49.6 Å²	49.6	31%	0.31	23%	0.23	S	C	.	.	S	Bend	trans	-60	-50.5	-173.9	176.7	-97.6	0	0	0	111.9	P590 L641 A643 T644 L666 R673	P590-Y668 HydrophobicContact CB-CD2 4.04Å; P590-Y668 HydrophobicContact CB-CE2 3.65Å; P590-Y668 HydrophobicContact CG-CD2 3.52Å; P590-Y668 HydrophobicContact CG-CE2 3.63Å; P590-Y668 HydrophobicContact CG-CG 4.39Å; L641-Y668 WeakPolarHBondContact O-CE2 3.26Å; L641-Y668 PolarHBondContact O-OH 3.43Å; A643-Y668 WeakPolarHBondContact O-CD2 3.48Å; T644-Y668 HydrophobicContact CG2-CD2 4.12Å; T644-Y668 HydrophobicContact CG2-CE2 4.12Å; T644-Y668 HydrophobicContact CG2-CG 4.32Å; L666-Y668 PolarHBondContact O-N 2.92Å; Y668-R673 PolarHBondContact O-NH2 3Å
669	R	96.6	Very high	97.4	Very high	144 Å²	144	49.6 Å²	49.6	54%	0.543	23%	0.23	S	C	.	.	S	Bend	trans	-77.3	126.5	175	-62.7	-175.9	65.2	178.5	-0.3	109.5	E671 D672 R673	R669-E671 IonicContact NE-OE2 3.7Å; R669-E671 PolarHBondContact O-N 2.89Å; R669-D672 HydrophobicContact CB-CB 4.44Å; R669-D672 WeakPolarHBondContact CB-OD2 3.41Å; R669-D672 PolarHBondContact O-N 3.3Å; R669-D672 VanDerWaalsContact O-N 3.13Å; R669-R673 PolarHBondContact O-N 2.92Å
670	K	95.6	Very high	97.2	Very high	57 Å²	57	48.9 Å²	48.9	25%	0.248	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	179.5	68.9	175.6	-171.6	-57.7	0	112.6	E591 K605 D672 R673	E591-K670 HydrophobicContact CG-CD 4.43Å; K605-K670 WeakPolarHBondContact CD-O 3.44Å; K605-K670 WeakPolarHBondContact CE-O 3.48Å; K605-K670 PolarHBondContact NZ-O 2.79Å; K670-D672 VanDerWaalsContact C-N 3.34Å; K670-R673 PolarHBondContact O-N 3.05Å
671	E	95.3	Very high	97	Very high	100 Å²	100	51.2 Å²	51.2	47%	0.467	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-36.1	177.8	-59.2	74.6	-149.7	0	0	111.3	R669	R669-E671 IonicContact NE-OE2 3.7Å; R669-E671 PolarHBondContact O-N 2.89Å
672	D	96.8	Very high	96.9	Very high	112 Å²	112	51.6 Å²	51.6	60%	0.599	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-17	178.4	-57.4	-35.5	0	0	0	112.6	A667 R669 K670	A667-D672 HydrophobicContact CB-CB 4.3Å; R669-D672 HydrophobicContact CB-CB 4.44Å; R669-D672 WeakPolarHBondContact CB-OD2 3.41Å; R669-D672 PolarHBondContact O-N 3.3Å; R669-D672 VanDerWaalsContact O-N 3.13Å; K670-D672 VanDerWaalsContact C-N 3.34Å
673	R	97.9	Very high	96.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	28%	0.283	C	S	.	.	S	Bend	trans	-74.9	134.7	178.8	-160.5	-177.5	-57.4	144.8	10.1	110.3	E591 K605 V608 C665 A667 Y668 R669 K670	E591-R673 IonicContact OE1-CZ 3.16Å; E591-R673 IonicContact OE1-NH1 3.28Å; E591-R673 PolarHBondContact OE1-NH1 2.98Å; E591-R673 IonicContact OE1-NH2 3.88Å; E591-R673 IonicContact OE2-CZ 2.65Å; E591-R673 IonicContact OE2-NH1 3.78Å; E591-R673 IonicContact OE2-NH2 2.75Å; E591-R673 PolarHBondContact OE2-NH2 3.36Å; K605-R673 HydrophobicContact CD-CB 4.41Å; K605-R673 WeakPolarHBondContact CD-O 3.5Å; K605-R673 VanDerWaalsContact CE-O 3.26Å; K605-R673 WeakPolarHBondContact CE-O 3.27Å; K605-R673 PolarHBondContact NZ-O 2.76Å; K605-R673 WeakPolarHBondContact O-CD 3.26Å; K605-R673 PolarHBondContact O-NH1 2.89Å; K605-R673 VanDerWaalsContact O-NH1 3.07Å; V608-R673 HydrophobicContact CG1-CG 4.13Å; C665-R673 WeakPolarHBondContact O-CD 3.38Å; C665-R673 WeakPolarHBondContact O-CG 3.46Å; A667-R673 HydrophobicContact CB-CB 3.91Å; A667-R673 HydrophobicContact CB-CG 4.22Å; A667-R673 PolarHBondContact O-NE 3.26Å; A667-R673 PolarHBondContact O-NH2 3.44Å; Y668-R673 PolarHBondContact O-NH2 3Å; R669-R673 PolarHBondContact O-N 2.92Å; K670-R673 PolarHBondContact O-N 3.05Å
674	V	97.3	Very high	96.6	Very high	24 Å²	24	52.2 Å²	52.2	15%	0.145	27%	0.266	C	S	.	.			trans	-62.2	147.8	173.2	-62.2	0	0	0	0	110.5	V608 R664 Q678 L679	V608-V674 HydrophobicContact CG1-CG2 3.89Å; V608-V674 WeakPolarHBondContact CG1-O 3.45Å; R664-V674 HydrophobicContact CB-CG1 4.39Å; V674-Q678 HydrophobicContact CB-CB 4.05Å; V674-L679 HydrophobicContact CG2-CB 4.28Å; V674-L679 HydrophobicContact CG2-CD1 4.07Å
675	D	96.7	Very high	96.4	Very high	41 Å²	41	48.6 Å²	48.6	22%	0.219	25%	0.253	C	S	.	.			trans	-84.1	176.9	169	69.6	32.2	0	0	0	112	N604 K605 L677 Q678 L679	N604-D675 WeakPolarHBondContact OD1-CB 3.38Å; K605-D675 HydrophobicContact CG-CB 4.17Å; D675-L677 VanDerWaalsContact C-N 3.33Å; D675-L677 PolarHBondContact O-N 3.38Å; D675-L677 PolarHBondContact OD1-N 3.48Å; D675-Q678 VanDerWaalsContact N-OE1 3.1Å; D675-Q678 WeakPolarHBondContact OD1-CB 3.35Å; D675-Q678 VanDerWaalsContact OD1-CG 3.31Å; D675-Q678 WeakPolarHBondContact OD1-CG 3.49Å; D675-Q678 PolarHBondContact OD1-N 3.45Å; D675-L679 VanDerWaalsContact O-CB 3.25Å; D675-L679 WeakPolarHBondContact O-CB 3.43Å; D675-L679 PolarHBondContact O-N 2.88Å
676	V	96.6	Very high	95.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-36.6	-178.3	170.6	0	0	0	0	112.6	L523 N527 N604 V608 L679 G680	L523-V676 HydrophobicContact CB-CG1 3.75Å; L523-V676 WeakPolarHBondContact O-CG1 3.5Å; N527-V676 HydrophobicContact CB-CG1 4.22Å; N604-V676 HydrophobicContact CB-CB 4.39Å; N604-V676 HydrophobicContact CB-CG2 3.73Å; N604-V676 WeakPolarHBondContact O-CG2 3.35Å; V608-V676 HydrophobicContact CG2-CG2 3.77Å; V676-L679 PolarHBondContact O-N 2.85Å; V676-G680 PolarHBondContact O-N 3.22Å
677	L	95.6	Very high	94.9	Very high	74 Å²	74	57.1 Å²	57.1	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-41.8	-178	-61.5	178.7	0	0	0	111.2	K524 N527 D675 G680 S681	K524-L677 HydrophobicContact CG-CD2 4.35Å; N527-L677 HydrophobicContact CB-CD2 4.47Å; N527-L677 WeakPolarHBondContact OD1-CD2 3.39Å; N527-L677 VanDerWaalsContact OD1-CG 3.28Å; N527-L677 WeakPolarHBondContact OD1-CG 3.43Å; D675-L677 VanDerWaalsContact C-N 3.33Å; D675-L677 PolarHBondContact O-N 3.38Å; D675-L677 PolarHBondContact OD1-N 3.48Å; L677-G680 PolarHBondContact O-N 3.47Å; L677-S681 PolarHBondContact O-N 2.91Å; L677-S681 PolarHBondContact O-OG 3.03Å
678	Q	96.8	Very high	93.5	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-44.1	171.7	-69.8	174.9	-21.3	0	0	110.9	V674 D675 G680 S681 D682	V674-Q678 HydrophobicContact CB-CB 4.05Å; D675-Q678 VanDerWaalsContact N-OE1 3.1Å; D675-Q678 WeakPolarHBondContact OD1-CB 3.35Å; D675-Q678 VanDerWaalsContact OD1-CG 3.31Å; D675-Q678 WeakPolarHBondContact OD1-CG 3.49Å; D675-Q678 PolarHBondContact OD1-N 3.45Å; Q678-G680 VanDerWaalsContact C-N 3.32Å; Q678-G680 PolarHBondContact O-N 3.29Å; Q678-S681 CarbonylContact O-C 3.58Å; Q678-S681 PolarHBondContact O-N 3.23Å; Q678-S681 VanDerWaalsContact O-N 3.1Å; Q678-D682 PolarHBondContact O-N 3.13Å
679	L	96.4	Very high	91.4	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-40.9	176.1	-171.7	69.8	0	0	0	111.8	V520 V608 V611 F661 V674 D675 V676 S681 D682	V520-L679 HydrophobicContact CG1-CD2 4.38Å; V520-L679 HydrophobicContact CG1-CG 4.24Å; V520-L679 HydrophobicContact CG2-CD2 3.67Å; V520-L679 HydrophobicContact CG2-CG 4.07Å; V608-L679 HydrophobicContact CB-CD2 4.47Å; V608-L679 HydrophobicContact CG1-CD2 4.19Å; V608-L679 HydrophobicContact CG2-CD2 4.11Å; V611-L679 HydrophobicContact CG1-CD2 4.29Å; F661-L679 HydrophobicContact CD2-CD1 4.41Å; F661-L679 HydrophobicContact CE2-CD1 3.45Å; F661-L679 VanDerWaalsContact CE2-CD1 3.45Å; F661-L679 HydrophobicContact CE2-CG 4.42Å; F661-L679 HydrophobicContact CZ-CD1 3.63Å; F661-L679 HydrophobicContact CZ-CG 4.45Å; V674-L679 HydrophobicContact CG2-CB 4.28Å; V674-L679 HydrophobicContact CG2-CD1 4.07Å; D675-L679 VanDerWaalsContact O-CB 3.25Å; D675-L679 WeakPolarHBondContact O-CB 3.43Å; D675-L679 PolarHBondContact O-N 2.88Å; V676-L679 PolarHBondContact O-N 2.85Å; L679-S681 PolarHBondContact O-N 3.44Å; L679-D682 VanDerWaalsContact O-CB 3.24Å; L679-D682 WeakPolarHBondContact O-CB 3.41Å; L679-D682 PolarHBondContact O-N 3.2Å; L679-D682 VanDerWaalsContact O-N 3.1Å
680	G	93.8	Very high	89	Confident	24 Å²	24	73.6 Å²	73.6	25%	0.247	38%	0.379	C	S	.	.	H	α-helix	trans	-63	-19.4	175.7	0	0	0	0	0	114.5	V676 L677 Q678	V676-G680 PolarHBondContact O-N 3.22Å; L677-G680 PolarHBondContact O-N 3.47Å; Q678-G680 VanDerWaalsContact C-N 3.32Å; Q678-G680 PolarHBondContact O-N 3.29Å
681	S	94.9	Very high	86.6	Confident	81 Å²	81	82.1 Å²	82.1	57%	0.566	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	9.4	177.3	-51.4	0	0	0	0	112.8	L677 Q678 L679	L677-S681 PolarHBondContact O-N 2.91Å; L677-S681 PolarHBondContact O-OG 3.03Å; Q678-S681 CarbonylContact O-C 3.58Å; Q678-S681 PolarHBondContact O-N 3.23Å; Q678-S681 VanDerWaalsContact O-N 3.1Å; L679-S681 PolarHBondContact O-N 3.44Å
682	D	96.4	Very high	84.1	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.043	42%	0.422	C	S	.	.			trans	-65.3	131	-175.9	-169.7	-67.9	0	0	0	111.4	F661 R664 Q678 L679 Y684 L685 L686	F661-D682 HydrophobicContact CD2-CB 4.26Å; F661-D682 HydrophobicContact CE2-CB 4.14Å; R664-D682 IonicContact CZ-OD1 2.97Å; R664-D682 IonicContact CZ-OD2 3.5Å; R664-D682 IonicContact NE-OD2 2.65Å; R664-D682 PolarHBondContact NE-OD2 3.42Å; R664-D682 IonicContact NH2-OD1 2.58Å; R664-D682 PolarHBondContact NH2-OD1 3Å; R664-D682 IonicContact NH2-OD2 2.79Å; R664-D682 PolarHBondContact NH2-OD2 3.08Å; Q678-D682 PolarHBondContact O-N 3.13Å; L679-D682 VanDerWaalsContact O-CB 3.24Å; L679-D682 WeakPolarHBondContact O-CB 3.41Å; L679-D682 PolarHBondContact O-N 3.2Å; L679-D682 VanDerWaalsContact O-N 3.1Å; D682-Y684 PolarHBondContact O-N 3Å; D682-Y684 WeakPolarHBondContact OD1-CB 3.38Å; D682-Y684 PolarHBondContact OD1-N 2.95Å; D682-L685 PolarHBondContact O-N 2.96Å; D682-L686 PolarHBondContact O-N 3.44Å
683	P	94.6	Very high	81.4	Confident	105 Å²	105	82.2 Å²	82.2	68%	0.682	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	-179.1	-26.6	34	0	0	0	114.4	L685	P683-L685 VanDerWaalsContact C-N 3.27Å; P683-L685 PolarHBondContact O-N 2.91Å
684	Y	96.2	Very high	78.7	Confident	25 Å²	25	87.3 Å²	87.3	10%	0.098	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.5	177.9	-177.4	-108.3	0	0	0	112.2	E509 R513 F615 E657 A658 F661 D682	E509-Y684 WeakPolarHBondContact CG-OH 3.44Å; E509-Y684 PolarHBondContact OE1-OH 3.24Å; R513-Y684 HydrophobicContact CB-CE1 4.39Å; R513-Y684 HydrophobicContact CG-CE1 3.96Å; R513-Y684 PolarHBondContact NE-O 2.85Å; R513-Y684 PolarHBondContact NH2-O 3.46Å; F615-Y684 AromaticContact CE1-CE1 3.75Å; F615-Y684 HydrophobicContact CE1-CE1 3.75Å; F615-Y684 AromaticContact CZ-CE1 3.6Å; F615-Y684 HydrophobicContact CZ-CE1 3.6Å; F615-Y684 AromaticContact CZ-CZ 3.84Å; F615-Y684 WeakPolarHBondContact CZ-OH 3.33Å; E657-Y684 HydrophobicContact CB-CD2 3.83Å; E657-Y684 HydrophobicContact CB-CE2 4.17Å; A658-Y684 HydrophobicContact CB-CE1 4.48Å; A658-Y684 HydrophobicContact CB-CE2 3.83Å; F661-Y684 HydrophobicContact CB-CD1 3.83Å; F661-Y684 HydrophobicContact CB-CG 3.93Å; F661-Y684 HydrophobicContact CD1-CD1 4.04Å; F661-Y684 HydrophobicContact CD1-CE1 4.43Å; F661-Y684 AromaticContact CD2-CD1 3.82Å; F661-Y684 HydrophobicContact CD2-CD1 3.82Å; F661-Y684 HydrophobicContact CD2-CG 4.23Å; F661-Y684 HydrophobicContact CE2-CD1 4.39Å; F661-Y684 AromaticContact CG-CD1 3.62Å; F661-Y684 HydrophobicContact CG-CD1 3.62Å; F661-Y684 HydrophobicContact CG-CE1 4.39Å; F661-Y684 HydrophobicContact CG-CG 4.13Å; D682-Y684 PolarHBondContact O-N 3Å; D682-Y684 WeakPolarHBondContact OD1-CB 3.38Å; D682-Y684 PolarHBondContact OD1-N 2.95Å
685	L	93.9	Very high	76.1	Confident	10 Å²	10	91.6 Å²	91.6	5%	0.052	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.3	-177.5	-59.1	-175	0	0	0	113.2	R513 V516 M517 V520 F661 D682 P683	R513-L685 PolarHBondContact NH2-O 2.87Å; R513-L685 VanDerWaalsContact NH2-O 3.11Å; V516-L685 HydrophobicContact CG1-CD1 4.45Å; V516-L685 HydrophobicContact CG1-CD2 3.93Å; M517-L685 VanDerWaalsContact CE-O 3.24Å; M517-L685 WeakPolarHBondContact CE-O 3.48Å; M517-L685 HydrophobicContact CG-CB 4.15Å; M517-L685 HydrophobicContact CG-CD2 3.89Å; V520-L685 HydrophobicContact CB-CD1 4.13Å; V520-L685 HydrophobicContact CG1-CD1 4.09Å; V520-L685 HydrophobicContact CG2-CD1 3.89Å; F661-L685 HydrophobicContact CD2-CG 4.48Å; F661-L685 HydrophobicContact CE2-CD1 3.77Å; F661-L685 HydrophobicContact CE2-CD2 4.01Å; F661-L685 HydrophobicContact CE2-CG 3.73Å; F661-L685 HydrophobicContact CZ-CD1 3.95Å; F661-L685 HydrophobicContact CZ-CD2 4.03Å; F661-L685 HydrophobicContact CZ-CG 4.15Å; D682-L685 PolarHBondContact O-N 2.96Å; P683-L685 VanDerWaalsContact C-N 3.27Å; P683-L685 PolarHBondContact O-N 2.91Å
686	L	88.1	Confident	73.3	Confident	87 Å²	87	92.3 Å²	92.3	46%	0.455	51%	0.514	S	S	.	.	S	Bend	trans	-64.3	143	178	-64.6	179.3	0	0	0	111.7	R513 D682 Q688	R513-L686 PolarHBondContact NH2-O 3.01Å; D682-L686 PolarHBondContact O-N 3.44Å; L686-Q688 PolarHBondContact O-N 2.61Å
687	P	77.7	Confident	70.5	Confident	98 Å²	98	100.4 Å²	100.4	64%	0.636	56%	0.557	S	S	*	*			trans	-54.9	133.5	172.9	-22.3	32.4	0	0	0	109.9	M689	P687-M689 VanDerWaalsContact C-N 3.32Å; P687-M689 PolarHBondContact O-N 3.28Å
688	Q	68.9	Low	67.5	Low	181 Å²	181	104 Å²	104	85%	0.846	58%	0.576	S	S	*	*			trans	-63.8	99	169.7	-80.2	159.8	-24.2	0	0	107.6	L686 R690	L686-Q688 PolarHBondContact O-N 2.61Å; Q688-R690 PolarHBondContact O-N 3.07Å
689	M	52.5	Low	64.4	Low	175 Å²	175	107.8 Å²	107.8	86%	0.862	59%	0.593	S	S	*	*			trans	-57.5	110.8	167.3	-68.7	-168.9	73.9	0	0	106.1	P687 R691	P687-M689 VanDerWaalsContact C-N 3.32Å; P687-M689 PolarHBondContact O-N 3.28Å; M689-R691 PolarHBondContact O-N 3.28Å
690	R	46.8	Very low	61.4	Low	232 Å²	232	115.5 Å²	115.5	88%	0.875	63%	0.631	S	S	*	*			trans	-55.7	112	170.4	-71.7	-173.4	-178.1	175.9	1.6	105.5	Q688 S692	Q688-R690 PolarHBondContact O-N 3.07Å; R690-S692 VanDerWaalsContact C-N 3.29Å; R690-S692 PolarHBondContact O-N 3.42Å
691	R	45.8	Very low	58.4	Low	237 Å²	237	119.4 Å²	119.4	89%	0.894	66%	0.655	S	S	*	*			trans	-59.4	106.3	160.1	-79.7	-176.4	176.6	177.5	-0.9	104.5	M689 S693	M689-R691 PolarHBondContact O-N 3.28Å; R691-S693 VanDerWaalsContact C-N 3.27Å; R691-S693 PolarHBondContact O-N 3.36Å
692	S	41.5	Very low	55.5	Low	105 Å²	105	120.5 Å²	120.5	73%	0.734	67%	0.669	S	S	*	*			trans	-53	102.2	165.7	-37	0	0	0	0	105.4	R690 S694	R690-S692 VanDerWaalsContact C-N 3.29Å; R690-S692 PolarHBondContact O-N 3.42Å; S692-S694 PolarHBondContact O-N 2.84Å
693	S	41.2	Very low	52.4	Low	108 Å²	108	124.4 Å²	124.4	76%	0.755	70%	0.702	S	S	*	*			trans	-69.8	77	165.7	39.4	0	0	0	0	106.6	R691 S695	R691-S693 VanDerWaalsContact C-N 3.27Å; R691-S693 PolarHBondContact O-N 3.36Å; S693-S695 PolarHBondContact O-N 3.02Å
694	S	41.4	Very low	49.4	Very low	110 Å²	110	124.8 Å²	124.8	77%	0.769	71%	0.707	S	S	*	*			trans	-72.7	64.1	155.7	58.8	0	0	0	0	107.6	S692 G696	S692-S694 PolarHBondContact O-N 2.84Å; S694-G696 PolarHBondContact O-N 3.3Å
695	S	43.3	Very low	46.4	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	75%	0.746	S	S	*	*			trans	-79.3	65.5	156.3	-58	0	0	0	0	106.7	S693 N697	S693-S695 PolarHBondContact O-N 3.02Å; S695-N697 PolarHBondContact O-N 3.15Å
696	G	36.4	Very low	43.3	Very low	57 Å²	57	132.4 Å²	132.4	59%	0.588	79%	0.785	S	S	*	*			trans	-70.9	113.4	162.8	0	0	0	0	0	107	S694 L698	S694-G696 PolarHBondContact O-N 3.3Å; G696-L698 VanDerWaalsContact C-N 3.34Å; G696-L698 PolarHBondContact O-N 3.12Å
697	N	38.3	Very low	40.6	Very low	171 Å²	171	133.8 Å²	133.8	91%	0.914	80%	0.802	S	S	*	*			trans	-51.7	99.5	162.1	-105.7	-7.1	0	0	0	108.4	S695	S695-N697 PolarHBondContact O-N 3.15Å
698	L	33	Very low	38.4	Very low	149 Å²	149	133.4 Å²	133.4	78%	0.78	81%	0.808	S	S	*	*			trans	-97.5	91.1	165.2	-93.5	158.1	0	0	0	107.4	G696 M700	G696-L698 VanDerWaalsContact C-N 3.34Å; G696-L698 PolarHBondContact O-N 3.12Å; L698-M700 PolarHBondContact O-N 3.14Å; L698-M700 VanDerWaalsContact O-N 3.14Å
699	Q	31.9	Very low	36.7	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	81%	0.805	S	S	*	*			trans	-65.4	103	159.5	-157.7	169.1	9.6	0	0	106.6	S701	Q699-S701 PolarHBondContact O-N 3.26Å; Q699-S701 VanDerWaalsContact O-N 3.11Å
700	M	32.1	Very low	35.7	Very low	162 Å²	162	126.8 Å²	126.8	80%	0.798	80%	0.798	S	S	*	*			trans	-65.9	106.8	173.6	-78.9	-94.2	88.1	0	0	109.2	L698	L698-M700 PolarHBondContact O-N 3.14Å; L698-M700 VanDerWaalsContact O-N 3.14Å
701	S	31.4	Very low	34.9	Very low	107 Å²	107	121.1 Å²	121.1	75%	0.748	79%	0.794	S	S	*	*			trans	-91	133.9	148	51.5	0	0	0	0	107.5	Q699	Q699-S701 PolarHBondContact O-N 3.26Å; Q699-S701 VanDerWaalsContact O-N 3.11Å
702	A	33.8	Very low	34.4	Very low	103 Å²	103	117.8 Å²	117.8	85%	0.851	79%	0.793	S	S	*	*			trans	-78.6	130.2	-177.2	0	0	0	0	0	111.2
703	A	31	Very low	34	Very low	90 Å²	90	120.2 Å²	120.2	74%	0.744	80%	0.796	S	S	*	*			trans	-172	119.1	143	0	0	0	0	0	112.3
704	S	31.6	Very low	33.4	Very low	113 Å²	113	119.4 Å²	119.4	79%	0.79	79%	0.791	S	S	*	*			trans	50.5	111.3	142.1	61.2	0	0	0	0	122.7
705	A	33.5	Very low	33.3	Very low	111 Å²	111	128.6 Å²	128.6	92%	0.917	81%	0.811	S	S	*	*				50.5	121.4	125	0	0	0	0	0	121.3
706	G	29.3	Very low	32.8	Very low	84 Å²	84	129.4 Å²	129.4	87%	0.866	81%	0.812	S	S	*	*			trans	167.4	150.7	162.3	0	0	0	0	0	112.6
707	S	31.2	Very low	32.6	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	82%	0.824	S	S	*	*			trans	-97.6	152.4	-151.8	62	0	0	0	0	117.1
708	A	32.3	Very low	32.3	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	82%	0.819	S	S	*	*			trans	42	133.5	135.5	0	0	0	0	0	123.4
709	S	32	Very low	32.3	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	82%	0.821	S	S	*	*			trans	101.6	118.5	134.8	79.3	0	0	0	0	120.3
710	S	32.2	Very low	32.3	Very low	102 Å²	102	126.5 Å²	126.5	71%	0.713	82%	0.818	S	S	*	*			trans	52.9	115.4	133.1	173.4	0	0	0	0	119.9
711	S	30.8	Very low	32.3	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	82%	0.819	S	S	*	*				-157.7	128.4	128.9	-43.7	0	0	0	0	112
712	L	33.9	Very low	32.4	Very low	167 Å²	167	125.4 Å²	125.4	87%	0.874	82%	0.824	S	S	*	*			trans	-61.3	140.1	156.7	-71.1	101.7	0	0	0	110.3
713	I	33.1	Very low	32.3	Very low	156 Å²	156	127.1 Å²	127.1	80%	0.8	82%	0.822	S	S	*	*			trans	-140.2	114.5	151.5	-61.2	-175.9	0	0	0	109.5
714	S	29.8	Very low	32.4	Very low	92 Å²	92	130.2 Å²	130.2	64%	0.643	83%	0.829	S	S	*	*			trans	-72.9	139.7	158.7	53.5	0	0	0	0	110.8
715	Y	39.2	Very low	32.5	Very low	303 Å²	303	131.7 Å²	131.7	100%	1.188	83%	0.832	S	S	*	*				-158.7	0	124.6	-93.7	-69	0	0	0	109.1

Retrieved 715 of 715 residues in 787.4 ms (Link to these results)

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