A0A087YPJ6_POEFO Loading...

ATP-dependent RNA helicase DDX54

Has RNA-dependent ATPase activity. Represses the transcriptional activity of nuclear receptors.

AlphaFold DB , UniProt , Accession A0A087YPJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 857 aa.

						>A0A087YPJ6_POEFO|A0A087YPJ6
MAQRKKKLTKKKRHTPNREQEVDSDSGDFQLAAEIKDDDTPGRKLPRFPATSDCTSDVEPDTRELVRAQNKKKKKSGGFQSMGLSFPVYKGVMKKGYKVPTPIQRKTIPVILDGKDVVAMARTGSGKTAAFLVPMFEKLKAPQAQTGARALILTPTRELALQTMKFTKELGKFTRLKIALILGGDSMEDQFAALHENPDIIIGTPGRLMHVITDMNLKLHSVEYVVFDEADRLFEMGFADQLQEIIRRLPDTRQTLLFSATLPKLLVEFARAGLTEPVLIRLDVDTKLSDQIKLSFFHLRVDDKPALLLHLLRNVAKPQEQTVVFAATKHHVEYLNELLSSEGIECAYIYSALDQTARKINIGKFVHRKAMVLIVTDVAARGIDIPLLDNVINYNFPSKAKLFLHRVGRVGRAGRSGTAYSMVCPDEMPYVYDLHLFLGRPVQFATADRTQDSDGVFGRVPQSILDDEGSHLITAHENSLDLQNLHRVSENAYKQYLKSRPNPSAESIRRVKSTDVSIMAVHPLLGSGLEKNELERLQLVDAIKSYKSKSTIFEINSNSKTPASEVMRKKRSKDKQVVDKFNRQREDVAAGSRLQLSAPPRATAGENEGQGKGNEEEDLQGVFSEVLGFKRRNLQEDGEHPKSKKSRETGKDEEYYIPYKPKDFNSERGLSLGGEGSHFEQQASSAVLDLMGDEGDQLNQHKKIMRWDRKRKRFVKESGKEEQNKKIRTESGQIVHNKKRKNFYEEWKKKYRVEDAGPGSDGETGGRKRSAGGRGRRGASSHRPAAPQVTAGGRRIRSELKSSSQILKNRKLKQKQQFLQGGGMKRIRSKNKQWLGEMKKSGFGRGGQKKGKMRKRL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	31.7	Very low	244 Å²	244	171.9 Å²	171.9	100%	1.202	82%	0.819	S	S	*	*				0	-174.5	0	-60.4	-168.7	-162.6	0	0	109.7
2	A	37.4	Very low	31.4	Very low	106 Å²	106	173.5 Å²	173.5	88%	0.876	82%	0.82	S	S	*	*			trans	-48.3	149.7	-160.4	0	0	0	0	0	117.8
3	Q	33.7	Very low	31	Very low	156 Å²	156	177.8 Å²	177.8	73%	0.729	82%	0.823	S	S	*	*			trans	-114.8	168.3	-179.8	-41.7	-176.7	8.5	0	0	109.5
4	R	33.3	Very low	30.7	Very low	217 Å²	217	177.2 Å²	177.2	82%	0.819	82%	0.821	S	S	*	*			cis	-158	169.2	-1	-141.1	168	178.2	171.5	-8.7	112.4
5	K	35.4	Very low	30.8	Very low	184 Å²	184	173.6 Å²	173.6	80%	0.8	82%	0.816	S	S	*	*			trans	-43.3	143.7	166	-67.1	163.8	-174.1	176.7	0	113.2
6	K	33	Very low	31.8	Very low	188 Å²	188	169.3 Å²	169.3	82%	0.817	81%	0.808	S	S	*	*				75.2	129.4	56.1	-156.7	-173.8	-166.2	171.2	0	113.2
7	K	29.4	Very low	31.6	Very low	173 Å²	173	167.9 Å²	167.9	75%	0.752	81%	0.806	S	S	*	*			trans	107.9	121.4	154.8	-67.4	-161.6	155.8	-172.5	0	122.4
8	L	27.8	Very low	31.4	Very low	131 Å²	131	169 Å²	169	69%	0.686	80%	0.801	S	S	*	*				77.5	123.4	123.6	-88.6	71.4	0	0	0	125.9
9	T	27.2	Very low	31.3	Very low	106 Å²	106	166.6 Å²	166.6	65%	0.65	79%	0.789	S	S	*	*				89.4	134.6	121.1	55.4	0	0	0	0	127.3
10	K	26.9	Very low	31	Very low	186 Å²	186	166 Å²	166	81%	0.809	79%	0.786	S	S	*	*				76.8	107.3	129.7	-77	172.6	178.9	179.6	0	122.7
11	K	29	Very low	30.8	Very low	200 Å²	200	165.2 Å²	165.2	87%	0.87	78%	0.781	S	S	*	*				54.5	113.4	99.8	-147.5	-172.5	-160.9	-173.8	0	119.7
12	K	27.9	Very low	30.5	Very low	191 Å²	191	159.2 Å²	159.2	83%	0.83	76%	0.758	S	S	*	*			trans	-173.9	149.7	148.7	-102.4	175.9	179.9	179.1	0	108.5
13	R	27.2	Very low	30	Very low	229 Å²	229	161 Å²	161	86%	0.864	75%	0.753	S	S	*	*			cis	-162.8	164	-20.4	-144.4	-178	-176.9	176.5	-1	109.6
14	H	26.6	Very low	29.8	Very low	170 Å²	170	158.5 Å²	158.5	79%	0.787	75%	0.753	S	S	*	*			trans	-69.3	178.8	166.1	-67.3	-85.1	0	0	0	112.2
15	T	31.3	Very low	29.5	Very low	123 Å²	123	155.5 Å²	155.5	76%	0.755	75%	0.753	S	S	*	*			cis	-167.8	-163.6	25.8	-7	0	0	0	0	109.1
16	P	47.7	Very low	29.2	Very low	104 Å²	104	152.2 Å²	152.2	68%	0.675	75%	0.753	S	S	*	*				-127.9	-152.5	-84.4	41.5	-18.8	0	0	0	114.5
17	N	28.4	Very low	28.9	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	75%	0.745	S	S	*	*			trans	80.7	145.4	166.2	-71.8	3.4	0	0	0	118.7
18	R	28.2	Very low	28.9	Very low	188 Å²	188	145.2 Å²	145.2	71%	0.709	75%	0.747	S	S	*	*			cis	-168.5	140.1	-10.3	163.8	176.5	175.6	150.5	18.1	111.5
19	E	28.4	Very low	28.8	Very low	124 Å²	124	148.2 Å²	148.2	58%	0.579	76%	0.755	S	S	*	*			trans	62.1	124	161.8	-73.2	159.5	-167	0	0	119.8
20	Q	26.7	Very low	28.8	Very low	154 Å²	154	151.7 Å²	151.7	72%	0.72	76%	0.764	S	S	*	*				70.1	138.7	99	-71.1	-179.5	-74.5	0	0	114.9
21	E	26.7	Very low	28.8	Very low	149 Å²	149	150.2 Å²	150.2	70%	0.696	77%	0.765	S	S	*	*			cis	-159.3	164.1	10.1	-135	174.1	-141.2	0	0	112.3
22	V	28.4	Very low	28.8	Very low	119 Å²	119	145.3 Å²	145.3	72%	0.721	76%	0.761	S	S	*	*			trans	42	126.1	161.6	-155.2	0	0	0	0	118.5
23	D	27.1	Very low	28.8	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	76%	0.756	S	S	*	*				-168	169.6	54	-153.2	-12.1	0	0	0	113.3
24	S	29.8	Very low	28.8	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	76%	0.76	S	S	*	*			trans	46.2	104.3	157.3	69	0	0	0	0	120
25	D	26.7	Very low	29.1	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	76%	0.758	S	S	*	*			trans	-101.2	124.9	163	-175.5	7.2	0	0	0	111.5	G27	D25-G27 PolarHBondContact OD1-N 3.48Å
26	S	28.8	Very low	28.9	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	76%	0.763	S	S	*	*			trans	-127	66.5	169.6	52.8	0	0	0	0	110.2	D28	S26-D28 PolarHBondContact O-N 2.98Å
27	G	27.4	Very low	28.1	Very low	62 Å²	62	144.1 Å²	144.1	64%	0.639	77%	0.771	S	S	*	*			trans	-53.5	99.6	-174	0	0	0	0	0	115.7	D25 F29	D25-G27 PolarHBondContact OD1-N 3.48Å; G27-F29 PolarHBondContact O-N 3.24Å
28	D	28.8	Very low	28.1	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	77%	0.773	S	S	*	*			trans	-81.1	109.9	173.2	-138.8	-5.1	0	0	0	109.5	S26 Q30	S26-D28 PolarHBondContact O-N 2.98Å; D28-Q30 PolarHBondContact O-N 3.38Å
29	F	25.8	Very low	28.6	Very low	195 Å²	195	142.8 Å²	142.8	86%	0.855	78%	0.778	S	S	*	*			trans	-81.6	84.6	-170.6	-134.2	-84.8	0	0	0	111.6	G27 L31	G27-F29 PolarHBondContact O-N 3.24Å; F29-L31 PolarHBondContact O-N 3.29Å
30	Q	27.5	Very low	28.8	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	78%	0.783	S	S	*	*			trans	-69.3	117.5	175.6	-69	-172.8	-0.8	0	0	111.3	D28	D28-Q30 PolarHBondContact O-N 3.38Å
31	L	27.3	Very low	29.5	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	79%	0.793	S	S	*	*			trans	-113.3	102.8	172.2	-129.4	169.8	0	0	0	108.4	F29	F29-L31 PolarHBondContact O-N 3.29Å
32	A	27.4	Very low	29.9	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	79%	0.792	S	S	*	*			trans	-66.1	133.3	178.2	0	0	0	0	0	110.6
33	A	28.4	Very low	30.1	Very low	88 Å²	88	143.4 Å²	143.4	73%	0.727	80%	0.801	S	S	*	*			trans	-128.7	105.6	169.2	0	0	0	0	0	107.6	I35	A33-I35 PolarHBondContact O-N 3.33Å
34	E	27.9	Very low	30.4	Very low	201 Å²	201	147 Å²	147	94%	0.939	81%	0.81	S	S	*	*			trans	-61.9	125.5	176.4	-62.8	-179.6	147.9	0	0	109.7
35	I	31.4	Very low	30.8	Very low	144 Å²	144	149.2 Å²	149.2	74%	0.738	81%	0.813	S	S	*	*			trans	-106	120.5	168.5	-63.1	176.8	0	0	0	105.8	A33 D37	A33-I35 PolarHBondContact O-N 3.33Å; I35-D37 PolarHBondContact O-N 3.34Å
36	K	28	Very low	31.4	Very low	201 Å²	201	146.4 Å²	146.4	87%	0.874	80%	0.803	S	S	*	*			trans	-70.3	120.3	165.7	-74.5	-175.1	172.6	-175.2	0	108.2
37	D	30.4	Very low	32	Very low	158 Å²	158	151.9 Å²	151.9	85%	0.845	81%	0.806	S	S	*	*			trans	-66.3	142.8	164.4	-70.7	-56.6	0	0	0	109.9	I35	I35-D37 PolarHBondContact O-N 3.34Å
38	D	29.7	Very low	32.8	Very low	151 Å²	151	152.4 Å²	152.4	81%	0.807	79%	0.791	S	S	*	*			trans	-127.6	107.5	177.3	-174.4	23.8	0	0	0	107	T40	D38-T40 PolarHBondContact O-N 3.07Å
39	D	37.2	Very low	33.6	Very low	155 Å²	155	148.4 Å²	148.4	83%	0.829	77%	0.773	S	S	*	*			trans	-95.9	103.9	-156.6	-166.6	10.7	0	0	0	112
40	T	32.7	Very low	34.4	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	75%	0.75	S	S	*	*			trans	-138.3	130.6	173.7	42.8	0	0	0	0	112.1	D38 G42	D38-T40 PolarHBondContact O-N 3.07Å; T40-G42 PolarHBondContact O-N 3.32Å
41	P	43	Very low	35.2	Very low	142 Å²	142	139.9 Å²	139.9	92%	0.922	75%	0.754	S	S	*	*			trans	-80.4	87.3	-170.9	31.2	-35.8	0	0	0	112.6
42	G	33.2	Very low	35.9	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	74%	0.744	S	S	*	*			trans	-141.6	86.1	-175.2	0	0	0	0	0	116	T40	T40-G42 PolarHBondContact O-N 3.32Å
43	R	33.6	Very low	36.6	Very low	239 Å²	239	136.3 Å²	136.3	90%	0.902	73%	0.729	S	S	*	*			trans	44.8	94.6	159.5	-153.7	178.9	-161.6	-176.4	5.8	116.3	L45	R43-L45 PolarHBondContact O-N 3.08Å
44	K	32.9	Very low	37.3	Very low	218 Å²	218	136.4 Å²	136.4	95%	0.948	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-47.4	123.7	175.3	-71.4	-178.7	177.6	176.8	0	111.9
45	L	38	Very low	37.9	Very low	150 Å²	150	133.4 Å²	133.4	79%	0.785	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-81.4	155.8	-178	-71	170.2	0	0	0	112.4	R43 R47	R43-L45 PolarHBondContact O-N 3.08Å; L45-R47 PolarHBondContact O-N 3.29Å
46	P	40.1	Very low	38.2	Very low	96 Å²	96	130.6 Å²	130.6	62%	0.623	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.6	123.5	175.4	-20.4	32.7	0	0	0	112.1	L65	P46-L65 HydrophobicContact CB-CD2 4.1Å; P46-L65 HydrophobicContact CG-CD2 4.49Å
47	R	41.6	Very low	38.8	Very low	229 Å²	229	129.6 Å²	129.6	86%	0.864	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-80.3	144.8	167.7	-164.4	-178.4	-178.5	169.4	0.7	108.5	L45	L45-R47 PolarHBondContact O-N 3.29Å
48	F	44	Very low	39.3	Very low	74 Å²	74	127.6 Å²	127.6	33%	0.325	71%	0.71	S	S	.	*	P	Polyproline II helix	trans	-61.4	135.6	164	-85.2	-84.2	0	0	0	108.8	A50 T62 L65 V66	F48-A50 PolarHBondContact O-N 3.3Å; F48-T62 HydrophobicContact CE1-CG2 4.3Å; F48-L65 HydrophobicContact CE1-CD1 4.45Å; F48-L65 HydrophobicContact CE2-CB 4.48Å; F48-L65 HydrophobicContact CZ-CB 4Å; F48-V66 HydrophobicContact CZ-CG2 4.38Å
49	P	44.8	Very low	39.9	Very low	68 Å²	68	128.7 Å²	128.7	44%	0.442	71%	0.71	S	S	.	*	P	Polyproline II helix	trans	-59.5	138.3	178	23.9	-33.1	0	0	0	110.6	D53	P49-D53 HydrophobicContact CB-CB 3.9Å
50	A	43.9	Very low	40.4	Very low	44 Å²	44	125 Å²	125	36%	0.364	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-70.7	168.3	170.4	0	0	0	0	0	110.3	F48 S52 D53	F48-A50 PolarHBondContact O-N 3.3Å; A50-S52 PolarHBondContact O-N 2.93Å; A50-D53 WeakPolarHBondContact CB-OD2 3.41Å; A50-D53 PolarHBondContact N-OD2 3.43Å; A50-D53 PolarHBondContact O-N 3.13Å
51	T	43	Very low	41.1	Very low	150 Å²	150	125 Å²	125	92%	0.92	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-12.2	179	42.4	0	0	0	0	114.3
52	S	42.1	Very low	41.7	Very low	86 Å²	86	119.5 Å²	119.5	60%	0.601	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-25.3	170.9	39.7	0	0	0	0	114.2	A50	A50-S52 PolarHBondContact O-N 2.93Å
53	D	42.8	Very low	42.6	Very low	91 Å²	91	122.2 Å²	122.2	49%	0.487	64%	0.644	S	S	.	*	S	Bend	trans	-98.3	-3	-158.1	-45.5	-18.2	0	0	0	113	P49 A50 T55	P49-D53 HydrophobicContact CB-CB 3.9Å; A50-D53 WeakPolarHBondContact CB-OD2 3.41Å; A50-D53 PolarHBondContact N-OD2 3.43Å; A50-D53 PolarHBondContact O-N 3.13Å; D53-T55 PolarHBondContact O-N 3.46Å
54	C	43.5	Very low	43.6	Very low	91 Å²	91	117 Å²	117	62%	0.615	63%	0.629	S	S	*	*			trans	-96.2	66.9	-173.8	-62.8	0	0	0	0	112.6
55	T	39.1	Very low	44.7	Very low	137 Å²	137	109 Å²	109	84%	0.84	60%	0.597	S	S	*	*			trans	-100.2	-0.4	176.3	51.3	0	0	0	0	114.5	D53	D53-T55 PolarHBondContact O-N 3.46Å
56	S	38	Very low	45.5	Very low	85 Å²	85	103.4 Å²	103.4	59%	0.594	57%	0.569	S	S	*	*	S	Bend	trans	-117.7	136.1	-177.6	56.9	0	0	0	0	113.2	V58	S56-V58 PolarHBondContact O-N 3.44Å
57	D	40.3	Very low	46.2	Very low	181 Å²	181	106.9 Å²	106.9	97%	0.968	57%	0.569	S	S	*	*	S	Bend	trans	-75.1	29.2	-176	-79.1	-48.7	0	0	0	115.6
58	V	41.5	Very low	46.9	Very low	116 Å²	116	98.9 Å²	98.9	70%	0.703	55%	0.553	S	S	*	*			trans	-104.4	110.9	177	-176.6	0	0	0	0	109.3	S56 P60	S56-V58 PolarHBondContact O-N 3.44Å; V58-P60 VanDerWaalsContact O-CD 3.29Å; V58-P60 WeakPolarHBondContact O-CD 3.4Å
59	E	42.6	Very low	47.3	Very low	174 Å²	174	100.8 Å²	100.8	81%	0.813	56%	0.562	S	S	*	*			trans	-69.5	118.2	171.1	-68.8	-159.3	144.1	0	0	109.8
60	P	46.7	Very low	47.5	Very low	78 Å²	78	99.4 Å²	99.4	51%	0.506	55%	0.551	S	S	.	*			trans	-73.7	147.1	174.6	30.7	-33.8	0	0	0	110.2	V58 T62	V58-P60 VanDerWaalsContact O-CD 3.29Å; V58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-T62 VanDerWaalsContact C-N 3.29Å; P60-T62 HydrophobicContact CG-CG2 4.31Å; P60-T62 PolarHBondContact O-N 3.45Å
61	D	49.3	Very low	48	Very low	108 Å²	108	105.8 Å²	105.8	58%	0.578	57%	0.571	S	S	*	*			trans	-70.3	89.2	174.8	-167.4	-13.9	0	0	0	111.2	R63 E64	D61-R63 PolarHBondContact O-N 2.85Å; D61-R63 VanDerWaalsContact OD1-CB 3.32Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 PolarHBondContact OD1-N 3.22Å; D61-E64 PolarHBondContact O-N 2.96Å
62	T	54.7	Low	48	Very low	27 Å²	27	107.8 Å²	107.8	17%	0.166	57%	0.567	C	S	.	*	H	α-helix	trans	-68.2	-14.7	179.4	50.7	0	0	0	0	113.4	F48 P60 V66 F86	F48-T62 HydrophobicContact CE1-CG2 4.3Å; P60-T62 VanDerWaalsContact C-N 3.29Å; P60-T62 HydrophobicContact CG-CG2 4.31Å; P60-T62 PolarHBondContact O-N 3.45Å; T62-V66 WeakPolarHBondContact O-CB 3.31Å; T62-V66 VanDerWaalsContact O-CG2 3.22Å; T62-V66 WeakPolarHBondContact O-CG2 3.16Å; T62-V66 PolarHBondContact O-N 3.42Å; T62-F86 HydrophobicContact CG2-CB 4.22Å
63	R	52.1	Low	48.2	Very low	125 Å²	125	110.6 Å²	110.6	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-68.2	-36.8	178.2	-71.7	-176.5	160.1	-166.6	-6.2	111.5	D61 R67 E137	D61-R63 PolarHBondContact O-N 2.85Å; D61-R63 VanDerWaalsContact OD1-CB 3.32Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 PolarHBondContact OD1-N 3.22Å; R63-R67 VanDerWaalsContact O-CB 3.31Å; R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 WeakPolarHBondContact O-CD 3.32Å; R63-R67 WeakPolarHBondContact O-CG 3.32Å; R63-R67 PolarHBondContact O-N 2.97Å; R63-E137 IonicContact CZ-OE1 2.85Å; R63-E137 IonicContact NH2-OE1 3.89Å; R63-E137 PolarHBondContact NH2-OE1 3.5Å
64	E	54.5	Low	48.2	Very low	129 Å²	129	115.7 Å²	115.7	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-69.7	-45.9	176.7	-63.7	-120.2	115.1	0	0	111.7	D61 V66 R67 A68	D61-E64 PolarHBondContact O-N 2.96Å; E64-V66 VanDerWaalsContact C-N 3.35Å; E64-V66 PolarHBondContact O-N 3.35Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 3.27Å; E64-A68 WeakPolarHBondContact O-CB 3.22Å; E64-A68 PolarHBondContact O-N 3.3Å
65	L	56.6	Low	48.2	Very low	50 Å²	50	121.6 Å²	121.6	26%	0.262	60%	0.601	S	S	.	*	H	α-helix	trans	-61.1	-41.4	177.2	-68.8	169.1	0	0	0	112.2	P46 F48 A68 Q69	P46-L65 HydrophobicContact CB-CD2 4.1Å; P46-L65 HydrophobicContact CG-CD2 4.49Å; F48-L65 HydrophobicContact CE1-CD1 4.45Å; F48-L65 HydrophobicContact CE2-CB 4.48Å; F48-L65 HydrophobicContact CZ-CB 4Å; L65-A68 PolarHBondContact O-N 3.48Å; L65-Q69 PolarHBondContact O-N 2.98Å; L65-Q69 VanDerWaalsContact O-N 3.13Å
66	V	54	Low	48.7	Very low	33 Å²	33	117.7 Å²	117.7	20%	0.2	58%	0.579	C	S	.	*	H	α-helix	trans	-67.7	-42.6	175	169.6	0	0	0	0	111.2	F48 T62 E64 A68 Q69 N70	F48-V66 HydrophobicContact CZ-CG2 4.38Å; T62-V66 WeakPolarHBondContact O-CB 3.31Å; T62-V66 VanDerWaalsContact O-CG2 3.22Å; T62-V66 WeakPolarHBondContact O-CG2 3.16Å; T62-V66 PolarHBondContact O-N 3.42Å; E64-V66 VanDerWaalsContact C-N 3.35Å; E64-V66 PolarHBondContact O-N 3.35Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 2.79Å; V66-Q69 PolarHBondContact O-N 3.07Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.29Å; V66-N70 VanDerWaalsContact O-CB 3.24Å; V66-N70 WeakPolarHBondContact O-CB 3.24Å; V66-N70 PolarHBondContact O-N 3.34Å; V66-N70 PolarHBondContact O-ND2 3.49Å
67	R	55.1	Low	49.8	Very low	168 Å²	168	115.4 Å²	115.4	63%	0.634	57%	0.57	S	S	*	*	H	α-helix	trans	-59.3	-42.1	173.4	-78.4	167.4	171.8	-176.2	-3.6	112.1	R63 E64 N70 K71	R63-R67 VanDerWaalsContact O-CB 3.31Å; R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 WeakPolarHBondContact O-CD 3.32Å; R63-R67 WeakPolarHBondContact O-CG 3.32Å; R63-R67 PolarHBondContact O-N 2.97Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 3.27Å; R67-N70 PolarHBondContact O-N 3.3Å; R67-K71 PolarHBondContact O-N 3.45Å; R67-K71 VanDerWaalsContact O-N 3.08Å
68	A	55.8	Low	51.6	Low	62 Å²	62	107.2 Å²	107.2	51%	0.512	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-45.9	179.7	0	0	0	0	0	112.4	E64 L65 V66	E64-A68 WeakPolarHBondContact O-CB 3.22Å; E64-A68 PolarHBondContact O-N 3.3Å; L65-A68 PolarHBondContact O-N 3.48Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 2.79Å
69	Q	52.1	Low	53.5	Low	114 Å²	114	101.8 Å²	101.8	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-40.4	174.8	-70.3	-164.5	-3.7	0	0	112.4	L65 V66 K71 K72 K73	L65-Q69 PolarHBondContact O-N 2.98Å; L65-Q69 VanDerWaalsContact O-N 3.13Å; V66-Q69 PolarHBondContact O-N 3.07Å; Q69-K71 VanDerWaalsContact C-N 3.28Å; Q69-K71 PolarHBondContact O-N 2.87Å; Q69-K72 PolarHBondContact O-N 2.9Å; Q69-K73 PolarHBondContact O-N 2.96Å
70	N	50.3	Low	55.3	Low	39 Å²	39	96.3 Å²	96.3	21%	0.209	47%	0.469	C	S	.	.	H	α-helix	trans	-63.6	-31	180	-76.5	-18.1	0	0	0	112.9	V66 R67 K72 K73 Q80	V66-N70 WeakPolarHBondContact CG1-ND2 3.29Å; V66-N70 VanDerWaalsContact O-CB 3.24Å; V66-N70 WeakPolarHBondContact O-CB 3.24Å; V66-N70 PolarHBondContact O-N 3.34Å; V66-N70 PolarHBondContact O-ND2 3.49Å; R67-N70 PolarHBondContact O-N 3.3Å; N70-K72 VanDerWaalsContact C-N 3.29Å; N70-K72 PolarHBondContact O-N 2.78Å; N70-K73 PolarHBondContact O-N 3.03Å; N70-Q80 PolarHBondContact ND2-O 2.84Å; N70-Q80 PolarHBondContact OD1-O 3.16Å
71	K	52.8	Low	56.8	Low	177 Å²	177	95.8 Å²	95.8	77%	0.77	47%	0.467	S	S	*	.	H	α-helix	trans	-57.7	-36.7	171.6	-92.7	-172.9	174.3	-179.5	0	113	R67 Q69	R67-K71 PolarHBondContact O-N 3.45Å; R67-K71 VanDerWaalsContact O-N 3.08Å; Q69-K71 VanDerWaalsContact C-N 3.28Å; Q69-K71 PolarHBondContact O-N 2.87Å
72	K	44.2	Very low	58.4	Low	193 Å²	193	92 Å²	92	84%	0.839	45%	0.447	S	S	*	.	H	α-helix	trans	-85.9	-15.5	178.9	-79.2	-166.8	173.3	-171.6	0	114.6	Q69 N70	Q69-K72 PolarHBondContact O-N 2.9Å; N70-K72 VanDerWaalsContact C-N 3.29Å; N70-K72 PolarHBondContact O-N 2.78Å
73	K	46.3	Very low	59.7	Low	145 Å²	145	92.6 Å²	92.6	63%	0.63	46%	0.457	S	S	*	.			trans	-118.7	39.1	-176.5	-68.5	-167.7	175.3	-177.3	0	114.8	Q69 N70 K75 S76	Q69-K73 PolarHBondContact O-N 2.96Å; N70-K73 PolarHBondContact O-N 3.03Å; K73-K75 PolarHBondContact O-N 3.47Å; K73-S76 PolarHBondContact O-N 2.84Å; K73-S76 PolarHBondContact O-OG 2.99Å
74	K	43.2	Very low	61.4	Low	198 Å²	198	87.2 Å²	87.2	86%	0.861	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-11	-179.1	-99.6	-172.6	173.3	-174.5	0	117.6
75	K	43.4	Very low	63	Low	214 Å²	214	82.2 Å²	82.2	93%	0.93	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-12.1	176.6	-67.7	-170.8	178	-177.2	0	115.1	K73 G77	K73-K75 PolarHBondContact O-N 3.47Å; K75-G77 PolarHBondContact O-N 3.06Å
76	S	48.9	Very low	64.5	Low	55 Å²	55	84.3 Å²	84.3	39%	0.385	42%	0.424	S	S	.	.			trans	-89.7	93.1	-178.5	61.6	0	0	0	0	112	K73 G78	K73-S76 PolarHBondContact O-N 2.84Å; K73-S76 PolarHBondContact O-OG 2.99Å; S76-G78 PolarHBondContact O-N 3.29Å
77	G	61.6	Low	66.2	Low	38 Å²	38	84.4 Å²	84.4	39%	0.392	43%	0.426	S	S	.	.			trans	-72.6	48.4	176.9	0	0	0	0	0	114.9	K75 P100	K75-G77 PolarHBondContact O-N 3.06Å; G77-P100 VanDerWaalsContact O-CD 3.26Å; G77-P100 WeakPolarHBondContact O-CD 3.26Å; G77-P100 VanDerWaalsContact O-CG 3.26Å; G77-P100 WeakPolarHBondContact O-CG 3.26Å
78	G	77.8	Confident	67.9	Low	8 Å²	8	76.5 Å²	76.5	8%	0.082	40%	0.396	C	S	.	.	S	Bend	trans	-88.7	179.1	173.8	0	0	0	0	0	112.7	S76 Q80 S81	S76-G78 PolarHBondContact O-N 3.29Å; G78-Q80 PolarHBondContact O-N 3.26Å; G78-S81 PolarHBondContact O-N 3.28Å; G78-S81 PolarHBondContact O-OG 3.31Å; G78-S81 VanDerWaalsContact O-OG 3.06Å
79	F	82.1	Confident	69.5	Low	2 Å²	2	76.6 Å²	76.6	1%	0.009	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.3	-18.9	177.5	-74.2	-84.5	0	0	0	113.6	S81 M82 L84 Y89 V92 Y97 P100 I108	F79-S81 VanDerWaalsContact C-N 3.31Å; F79-S81 PolarHBondContact O-N 3.17Å; F79-M82 HydrophobicContact CD1-SD 3.76Å; F79-M82 HydrophobicContact CE1-SD 4.26Å; F79-M82 WeakPolarHBondContact O-CB 3.48Å; F79-M82 PolarHBondContact O-N 2.91Å; F79-L84 HydrophobicContact CB-CD1 4.42Å; F79-L84 HydrophobicContact CD1-CD1 4.22Å; F79-Y89 HydrophobicContact CB-CD2 4.48Å; F79-V92 HydrophobicContact CB-CG1 4.17Å; F79-V92 HydrophobicContact CD1-CG1 3.91Å; F79-V92 HydrophobicContact CD2-CG1 3.67Å; F79-V92 HydrophobicContact CE1-CG1 4.15Å; F79-V92 HydrophobicContact CE2-CG1 3.94Å; F79-V92 HydrophobicContact CG-CG1 3.65Å; F79-V92 HydrophobicContact CZ-CG1 4.16Å; F79-Y97 WeakPolarHBondContact CD2-O 3.32Å; F79-P100 HydrophobicContact CD1-CB 4.47Å; F79-P100 HydrophobicContact CD2-CB 4.34Å; F79-P100 HydrophobicContact CE1-CB 4.02Å; F79-P100 HydrophobicContact CE2-CB 3.84Å; F79-P100 HydrophobicContact CE2-CG 4.47Å; F79-P100 HydrophobicContact CZ-CB 3.68Å; F79-I108 HydrophobicContact CE1-CD1 4Å
80	Q	79.3	Confident	71.3	Confident	60 Å²	60	75.2 Å²	75.2	28%	0.28	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-62.4	-37.3	177.1	-58.8	76.6	12.2	0	0	111.9	N70 G78 M82 Y89	N70-Q80 PolarHBondContact ND2-O 2.84Å; N70-Q80 PolarHBondContact OD1-O 3.16Å; G78-Q80 PolarHBondContact O-N 3.26Å; Q80-M82 PolarHBondContact O-N 2.92Å; Q80-Y89 HydrophobicContact CG-CE2 3.79Å; Q80-Y89 WeakPolarHBondContact CG-OH 3.38Å; Q80-Y89 PolarHBondContact NE2-OH 3.44Å
81	S	78.7	Confident	73.2	Confident	66 Å²	66	73.4 Å²	73.4	46%	0.462	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-77.4	-3.5	-179	69.4	0	0	0	0	113.6	G78 F79	G78-S81 PolarHBondContact O-N 3.28Å; G78-S81 PolarHBondContact O-OG 3.31Å; G78-S81 VanDerWaalsContact O-OG 3.06Å; F79-S81 VanDerWaalsContact C-N 3.31Å; F79-S81 PolarHBondContact O-N 3.17Å
82	M	82.3	Confident	75	Confident	30 Å²	30	65 Å²	65	15%	0.148	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-88.9	-2.1	178.9	-64.5	176.6	165.1	0	0	113.6	F79 Q80 L84 P100 I108	F79-M82 HydrophobicContact CD1-SD 3.76Å; F79-M82 HydrophobicContact CE1-SD 4.26Å; F79-M82 WeakPolarHBondContact O-CB 3.48Å; F79-M82 PolarHBondContact O-N 2.91Å; Q80-M82 PolarHBondContact O-N 2.92Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD2 4.35Å; M82-L84 HydrophobicContact CB-CG 4.06Å; M82-L84 PolarHBondContact O-N 3.16Å; M82-P100 HydrophobicContact CE-CB 3.84Å; M82-P100 HydrophobicContact CE-CG 3.85Å; M82-I108 HydrophobicContact CE-CB 4.3Å; M82-I108 HydrophobicContact CE-CD1 4.34Å; M82-I108 HydrophobicContact SD-CB 4.24Å; M82-I108 HydrophobicContact SD-CD1 4.09Å; M82-I108 HydrophobicContact SD-CG2 3.93Å
83	G	82.1	Confident	77.1	Confident	38 Å²	38	59.5 Å²	59.5	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	18.2	173.2	0	0	0	0	0	115.9
84	L	87.8	Confident	79.2	Confident	12 Å²	12	60.1 Å²	60.1	6%	0.063	31%	0.311	C	S	.	.			trans	-62.8	144.5	-177.6	-54.3	175.2	0	0	0	112.5	F79 M82 L112 V133	F79-L84 HydrophobicContact CB-CD1 4.42Å; F79-L84 HydrophobicContact CD1-CD1 4.22Å; M82-L84 VanDerWaalsContact C-N 3.29Å; M82-L84 HydrophobicContact CB-CD2 4.35Å; M82-L84 HydrophobicContact CB-CG 4.06Å; M82-L84 PolarHBondContact O-N 3.16Å; L84-L112 HydrophobicContact CD2-CD1 4.24Å; L84-V133 HydrophobicContact CD1-CG1 3.6Å; L84-V133 HydrophobicContact CD2-CG1 3.56Å; L84-V133 HydrophobicContact CG-CG1 4.24Å
85	S	88.8	Confident	81.3	Confident	25 Å²	25	54.5 Å²	54.5	18%	0.175	29%	0.286	C	S	.	.			trans	-62	152.8	172	59.7	0	0	0	0	112.9	V88 Y89 E137	S85-V88 PolarHBondContact O-N 2.81Å; S85-V88 VanDerWaalsContact O-N 3.16Å; S85-V88 WeakPolarHBondContact OG-CG2 3.09Å; S85-Y89 PolarHBondContact O-N 2.89Å; S85-E137 WeakPolarHBondContact CB-OE2 3.45Å; S85-E137 PolarHBondContact N-OE2 2.93Å; S85-E137 PolarHBondContact OG-OE2 3.18Å
86	F	87.6	Confident	83.3	Confident	93 Å²	93	46.8 Å²	46.8	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-55.1	-43.1	-175.7	-179.7	-108.2	0	0	0	114.7	T62 V88 K90	T62-F86 HydrophobicContact CG2-CB 4.22Å; F86-V88 PolarHBondContact O-N 3.42Å; F86-K90 HydrophobicContact CE1-CD 3.96Å; F86-K90 HydrophobicContact CZ-CD 3.95Å; F86-K90 WeakPolarHBondContact O-CB 3.49Å; F86-K90 PolarHBondContact O-N 2.95Å
87	P	89.9	Confident	85	Confident	35 Å²	35	47.3 Å²	47.3	23%	0.227	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-41	177.6	-23.1	35	0	0	0	113	G91 F173	P87-G91 PolarHBondContact O-N 3.29Å; P87-G91 VanDerWaalsContact O-N 3.09Å; P87-F173 HydrophobicContact CB-CB 3.98Å
88	V	90.1	Very high	85.9	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-49.1	-179.9	-178.4	0	0	0	0	110.4	S85 F86 K90 G91 V92 V133 F136 T174	S85-V88 PolarHBondContact O-N 2.81Å; S85-V88 VanDerWaalsContact O-N 3.16Å; S85-V88 WeakPolarHBondContact OG-CG2 3.09Å; F86-V88 PolarHBondContact O-N 3.42Å; V88-K90 PolarHBondContact O-N 2.97Å; V88-G91 WeakPolarHBondContact O-CA 3.49Å; V88-G91 PolarHBondContact O-N 3.29Å; V88-G91 VanDerWaalsContact O-N 3.09Å; V88-V92 WeakPolarHBondContact O-CG2 3.18Å; V88-V92 PolarHBondContact O-N 2.92Å; V88-V133 HydrophobicContact CG1-CG1 4.11Å; V88-F136 HydrophobicContact CG1-CB 4.29Å; V88-F136 HydrophobicContact CG2-CB 3.64Å; V88-T174 HydrophobicContact CG2-CG2 4.36Å
89	Y	90.4	Very high	86.3	Confident	64 Å²	64	57.3 Å²	57.3	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-42	177.2	175.6	-108.7	0	0	0	112.4	F79 Q80 S85 G91 V92 M93	F79-Y89 HydrophobicContact CB-CD2 4.48Å; Q80-Y89 HydrophobicContact CG-CE2 3.79Å; Q80-Y89 WeakPolarHBondContact CG-OH 3.38Å; Q80-Y89 PolarHBondContact NE2-OH 3.44Å; S85-Y89 PolarHBondContact O-N 2.89Å; Y89-G91 VanDerWaalsContact C-N 3.27Å; Y89-G91 PolarHBondContact O-N 3.43Å; Y89-V92 PolarHBondContact O-N 3.41Å; Y89-M93 HydrophobicContact CD1-CG 4.42Å; Y89-M93 HydrophobicContact CD2-CG 4.09Å; Y89-M93 HydrophobicContact CE1-CG 3.95Å; Y89-M93 HydrophobicContact CE2-CG 3.56Å; Y89-M93 HydrophobicContact CE2-SD 3.9Å; Y89-M93 HydrophobicContact CG-CG 4.48Å; Y89-M93 VanDerWaalsContact CZ-CG 3.49Å; Y89-M93 WeakPolarHBondContact O-CB 3.49Å; Y89-M93 WeakPolarHBondContact O-CG 3.41Å; Y89-M93 PolarHBondContact O-N 3.02Å
90	K	89.5	Confident	86.6	Confident	86 Å²	86	57.3 Å²	57.3	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-34.2	174.8	-167.8	176.6	-174.4	168.6	0	112	F86 V88 K94 F173	F86-K90 HydrophobicContact CE1-CD 3.96Å; F86-K90 HydrophobicContact CZ-CD 3.95Å; F86-K90 WeakPolarHBondContact O-CB 3.49Å; F86-K90 PolarHBondContact O-N 2.95Å; V88-K90 PolarHBondContact O-N 2.97Å; K90-K94 WeakPolarHBondContact O-CB 3.12Å; K90-K94 PolarHBondContact O-N 3.22Å; K90-F173 HydrophobicContact CB-CD2 4.02Å; K90-F173 HydrophobicContact CB-CE2 4.18Å; K90-F173 HydrophobicContact CD-CD1 4.19Å; K90-F173 HydrophobicContact CD-CD2 4.28Å; K90-F173 HydrophobicContact CD-CE1 4.11Å; K90-F173 HydrophobicContact CD-CE2 4.21Å; K90-F173 HydrophobicContact CD-CG 4.26Å; K90-F173 HydrophobicContact CD-CZ 4.12Å; K90-F173 HydrophobicContact CG-CD2 3.95Å; K90-F173 HydrophobicContact CG-CE1 4.45Å; K90-F173 HydrophobicContact CG-CE2 3.69Å; K90-F173 HydrophobicContact CG-CG 4.43Å; K90-F173 HydrophobicContact CG-CZ 3.96Å
91	G	91.2	Very high	87	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-52.3	171.3	0	0	0	0	0	113	P87 V88 Y89 M93 K94 K95 L170	P87-G91 PolarHBondContact O-N 3.29Å; P87-G91 VanDerWaalsContact O-N 3.09Å; V88-G91 WeakPolarHBondContact O-CA 3.49Å; V88-G91 PolarHBondContact O-N 3.29Å; V88-G91 VanDerWaalsContact O-N 3.09Å; Y89-G91 VanDerWaalsContact C-N 3.27Å; Y89-G91 PolarHBondContact O-N 3.43Å; G91-M93 PolarHBondContact O-N 2.61Å; G91-K94 PolarHBondContact O-N 2.98Å; G91-K95 WeakPolarHBondContact O-CB 3.31Å; G91-K95 PolarHBondContact O-N 3.06Å; G91-L170 WeakPolarHBondContact CA-O 3.5Å
92	V	90.3	Very high	87.5	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-54.2	-50.7	176.7	173	0	0	0	0	111.2	F79 V88 Y89 K95 G96 Y97 V133 L170	F79-V92 HydrophobicContact CB-CG1 4.17Å; F79-V92 HydrophobicContact CD1-CG1 3.91Å; F79-V92 HydrophobicContact CD2-CG1 3.67Å; F79-V92 HydrophobicContact CE1-CG1 4.15Å; F79-V92 HydrophobicContact CE2-CG1 3.94Å; F79-V92 HydrophobicContact CG-CG1 3.65Å; F79-V92 HydrophobicContact CZ-CG1 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.18Å; V88-V92 PolarHBondContact O-N 2.92Å; Y89-V92 PolarHBondContact O-N 3.41Å; V92-K95 PolarHBondContact O-N 3.47Å; V92-G96 PolarHBondContact O-N 3.4Å; V92-Y97 PolarHBondContact O-N 3.29Å; V92-V133 HydrophobicContact CG2-CG2 3.78Å; V92-L170 HydrophobicContact CB-CD1 4.4Å; V92-L170 HydrophobicContact CG2-CD1 3.94Å
93	M	88.8	Confident	87.8	Confident	77 Å²	77	55.9 Å²	55.9	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-42.9	179.7	-68.6	-62.5	-67.9	0	0	112.2	Y89 G91 K95 G96	Y89-M93 HydrophobicContact CD1-CG 4.42Å; Y89-M93 HydrophobicContact CD2-CG 4.09Å; Y89-M93 HydrophobicContact CE1-CG 3.95Å; Y89-M93 HydrophobicContact CE2-CG 3.56Å; Y89-M93 HydrophobicContact CE2-SD 3.9Å; Y89-M93 HydrophobicContact CG-CG 4.48Å; Y89-M93 VanDerWaalsContact CZ-CG 3.49Å; Y89-M93 WeakPolarHBondContact O-CB 3.49Å; Y89-M93 WeakPolarHBondContact O-CG 3.41Å; Y89-M93 PolarHBondContact O-N 3.02Å; G91-M93 PolarHBondContact O-N 2.61Å; M93-K95 PolarHBondContact O-N 2.82Å; M93-G96 PolarHBondContact O-N 3.32Å
94	K	89.6	Confident	88.3	Confident	158 Å²	158	54.1 Å²	54.1	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-66.4	-25.3	177.4	-175.7	159.3	-174.3	138.3	0	113.1	K90 G91 G96 F173	K90-K94 WeakPolarHBondContact O-CB 3.12Å; K90-K94 PolarHBondContact O-N 3.22Å; G91-K94 PolarHBondContact O-N 2.98Å; K94-G96 VanDerWaalsContact C-N 3.25Å; K94-F173 HydrophobicContact CB-CE2 4.3Å; K94-F173 HydrophobicContact CD-CE2 4.15Å; K94-F173 HydrophobicContact CD-CZ 3.84Å
95	K	86.9	Confident	88.4	Confident	81 Å²	81	60 Å²	60	35%	0.352	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.4	172.5	-173.8	54.2	-174	175.1	0	113.3	G91 V92 M93 Y97 F166 E169 L170	G91-K95 WeakPolarHBondContact O-CB 3.31Å; G91-K95 PolarHBondContact O-N 3.06Å; V92-K95 PolarHBondContact O-N 3.47Å; M93-K95 PolarHBondContact O-N 2.82Å; K95-Y97 HydrophobicContact CB-CD2 4.05Å; K95-Y97 HydrophobicContact CB-CE2 4.29Å; K95-Y97 HydrophobicContact CG-CD2 3.81Å; K95-Y97 HydrophobicContact CG-CE2 3.54Å; K95-F166 HydrophobicContact CG-CE2 4.25Å; K95-E169 HydrophobicContact CD-CB 4.46Å; K95-E169 WeakPolarHBondContact CE-OE2 3.41Å; K95-E169 IonicContact NZ-OE2 2.62Å; K95-E169 PolarHBondContact NZ-OE2 3.02Å; K95-L170 HydrophobicContact CB-CD1 4.26Å
96	G	85.1	Confident	88.5	Confident	52 Å²	52	63.8 Å²	63.8	54%	0.536	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	3.9	174.7	0	0	0	0	0	115.4	V92 M93 K94 K98	V92-G96 PolarHBondContact O-N 3.4Å; M93-G96 PolarHBondContact O-N 3.32Å; K94-G96 VanDerWaalsContact C-N 3.25Å; G96-K98 PolarHBondContact O-N 3.01Å
97	Y	84.4	Confident	88.8	Confident	65 Å²	65	59.4 Å²	59.4	26%	0.255	29%	0.292	S	S	.	.			trans	-78.4	89.3	-176.7	-73.5	-68.6	0	0	0	112.3	F79 V92 K95 F166	F79-Y97 WeakPolarHBondContact CD2-O 3.32Å; V92-Y97 PolarHBondContact O-N 3.29Å; K95-Y97 HydrophobicContact CB-CD2 4.05Å; K95-Y97 HydrophobicContact CB-CE2 4.29Å; K95-Y97 HydrophobicContact CG-CD2 3.81Å; K95-Y97 HydrophobicContact CG-CE2 3.54Å; Y97-F166 AromaticContact CE2-CE2 3.83Å; Y97-F166 HydrophobicContact CE2-CE2 3.83Å; Y97-F166 AromaticContact CE2-CZ 3.62Å; Y97-F166 HydrophobicContact CE2-CZ 3.62Å; Y97-F166 AromaticContact CZ-CZ 3.9Å; Y97-F166 VanDerWaalsContact OH-CE2 3.32Å; Y97-F166 WeakPolarHBondContact OH-CE2 3.46Å; Y97-F166 WeakPolarHBondContact OH-CZ 3.44Å
98	K	81.8	Confident	89	Confident	166 Å²	166	57.7 Å²	57.7	72%	0.722	28%	0.282	S	S	*	.			trans	-72.3	-39	176.9	-63.8	-178.3	-179.7	-180	0	113.4	G96	G96-K98 PolarHBondContact O-N 3.01Å
99	V	85.5	Confident	89.1	Confident	91 Å²	91	60.1 Å²	60.1	55%	0.552	30%	0.297	S	S	*	.	S	Bend	trans	-134.4	134.4	-173.7	-178.4	0	0	0	0	109.9
100	P	89.2	Confident	89.2	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.013	29%	0.294	C	S	.	.			trans	-71.7	136.6	176.4	28.2	-33.8	0	0	0	111.6	G77 F79 M82 Q104	G77-P100 VanDerWaalsContact O-CD 3.26Å; G77-P100 WeakPolarHBondContact O-CD 3.26Å; G77-P100 VanDerWaalsContact O-CG 3.26Å; G77-P100 WeakPolarHBondContact O-CG 3.26Å; F79-P100 HydrophobicContact CD1-CB 4.47Å; F79-P100 HydrophobicContact CD2-CB 4.34Å; F79-P100 HydrophobicContact CE1-CB 4.02Å; F79-P100 HydrophobicContact CE2-CB 3.84Å; F79-P100 HydrophobicContact CE2-CG 4.47Å; F79-P100 HydrophobicContact CZ-CB 3.68Å; M82-P100 HydrophobicContact CE-CB 3.84Å; M82-P100 HydrophobicContact CE-CG 3.85Å; P100-Q104 HydrophobicContact CB-CB 3.94Å
101	T	87.9	Confident	89.5	Confident	40 Å²	40	54.6 Å²	54.6	25%	0.245	28%	0.277	C	S	.	.			trans	-66.5	164.5	175.3	72.4	0	0	0	0	111.4	I103 Q104 R105 S125	T101-I103 VanDerWaalsContact C-N 3.26Å; T101-I103 PolarHBondContact O-N 3.3Å; T101-Q104 WeakPolarHBondContact O-CB 3.2Å; T101-Q104 PolarHBondContact O-N 3.29Å; T101-Q104 VanDerWaalsContact O-N 3.09Å; T101-Q104 VanDerWaalsContact OG1-CD 3.24Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.5Å; T101-Q104 PolarHBondContact OG1-OE1 2.97Å; T101-R105 PolarHBondContact O-N 3.38Å; T101-S125 WeakPolarHBondContact CB-O 3.36Å; T101-S125 PolarHBondContact OG1-O 3.43Å
102	P	87.5	Confident	89.6	Confident	86 Å²	86	57.6 Å²	57.6	56%	0.558	29%	0.293	S	S	*	.	H	α-helix	trans	-55.9	-34.7	-178.8	-29.2	37.1	0	0	0	114.6	K106 L282	P102-K106 PolarHBondContact O-N 2.93Å; P102-L282 HydrophobicContact CB-CD1 4.15Å; P102-L282 HydrophobicContact CB-CD2 3.82Å
103	I	89.1	Confident	89.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-71	-46.4	176	-166.4	64.5	0	0	0	110.3	T101 R105 K106 T107 A119 A121 S125 A130 F258 I280 L282	T101-I103 VanDerWaalsContact C-N 3.26Å; T101-I103 PolarHBondContact O-N 3.3Å; I103-R105 VanDerWaalsContact C-N 3.29Å; I103-R105 PolarHBondContact O-N 3.09Å; I103-K106 PolarHBondContact O-N 3.09Å; I103-K106 VanDerWaalsContact O-N 3.13Å; I103-T107 HydrophobicContact CD1-CG2 3.62Å; I103-T107 HydrophobicContact CG1-CG2 3.82Å; I103-T107 WeakPolarHBondContact O-CG2 3.46Å; I103-T107 PolarHBondContact O-N 3.07Å; I103-T107 PolarHBondContact O-OG1 3.48Å; I103-T107 VanDerWaalsContact O-OG1 3.13Å; I103-A119 HydrophobicContact CD1-CB 4.32Å; I103-A121 HydrophobicContact CB-CB 4.37Å; I103-A121 HydrophobicContact CD1-CB 4.06Å; I103-A121 HydrophobicContact CG1-CB 4.06Å; I103-S125 WeakPolarHBondContact CG2-O 3.25Å; I103-A130 HydrophobicContact CG2-CB 4.36Å; I103-F258 HydrophobicContact CG1-CE1 4.49Å; I103-I280 HydrophobicContact CD1-CG2 4.1Å; I103-L282 HydrophobicContact CB-CD1 3.72Å; I103-L282 HydrophobicContact CB-CG 4.35Å; I103-L282 HydrophobicContact CD1-CD1 4.16Å; I103-L282 HydrophobicContact CD1-CG 3.96Å; I103-L282 HydrophobicContact CG1-CD1 4.49Å
104	Q	92.3	Very high	89.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-40.8	179	-67.7	163.3	1.1	0	0	111.6	P100 T101 I108 G126 A130	P100-Q104 HydrophobicContact CB-CB 3.94Å; T101-Q104 WeakPolarHBondContact O-CB 3.2Å; T101-Q104 PolarHBondContact O-N 3.29Å; T101-Q104 VanDerWaalsContact O-N 3.09Å; T101-Q104 VanDerWaalsContact OG1-CD 3.24Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.5Å; T101-Q104 PolarHBondContact OG1-OE1 2.97Å; Q104-I108 HydrophobicContact CB-CD1 3.81Å; Q104-I108 HydrophobicContact CB-CG1 4.43Å; Q104-I108 HydrophobicContact CG-CD1 4.29Å; Q104-I108 VanDerWaalsContact O-CB 3.26Å; Q104-I108 WeakPolarHBondContact O-CB 3.26Å; Q104-I108 VanDerWaalsContact O-CG1 3.25Å; Q104-I108 WeakPolarHBondContact O-CG1 3.43Å; Q104-I108 PolarHBondContact O-N 3.17Å; Q104-G126 PolarHBondContact NE2-O 2.94Å; Q104-A130 HydrophobicContact CB-CB 4.42Å; Q104-A130 HydrophobicContact CG-CB 3.7Å
105	R	90.4	Very high	90	Very high	137 Å²	137	59 Å²	59	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-36.3	177.5	-165.4	-177.4	-57.6	169.2	6.5	113	T101 I103 P109	T101-R105 PolarHBondContact O-N 3.38Å; I103-R105 VanDerWaalsContact C-N 3.29Å; I103-R105 PolarHBondContact O-N 3.09Å; R105-P109 WeakPolarHBondContact O-CD 3.38Å
106	K	90.3	Very high	90.4	Very high	104 Å²	104	55.5 Å²	55.5	45%	0.452	30%	0.3	S	S	.	.	H	α-helix	trans	-78.7	-43.4	175.7	-72.5	-165.9	-177.9	-170.9	0	112.6	P102 I103 I280 R281 L282	P102-K106 PolarHBondContact O-N 2.93Å; I103-K106 PolarHBondContact O-N 3.09Å; I103-K106 VanDerWaalsContact O-N 3.13Å; K106-I280 HydrophobicContact CB-CG2 3.75Å; K106-I280 HydrophobicContact CD-CG2 3.98Å; K106-R281 PolarHBondContact NZ-O 2.89Å; K106-R281 VanDerWaalsContact NZ-O 3.07Å; K106-L282 HydrophobicContact CD-CD2 4.07Å
107	T	94.1	Very high	90.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-86.9	-40.5	-170.3	66.9	0	0	0	0	114.1	I103 V110 I111 V117 A119 A130 F258 I280	I103-T107 HydrophobicContact CD1-CG2 3.62Å; I103-T107 HydrophobicContact CG1-CG2 3.82Å; I103-T107 WeakPolarHBondContact O-CG2 3.46Å; I103-T107 PolarHBondContact O-N 3.07Å; I103-T107 PolarHBondContact O-OG1 3.48Å; I103-T107 VanDerWaalsContact O-OG1 3.13Å; T107-V110 PolarHBondContact O-N 2.89Å; T107-V110 VanDerWaalsContact O-N 3.17Å; T107-I111 WeakPolarHBondContact O-CD1 3.24Å; T107-I111 VanDerWaalsContact O-CG1 3.24Å; T107-I111 WeakPolarHBondContact O-CG1 3.45Å; T107-I111 PolarHBondContact O-N 3.09Å; T107-V117 HydrophobicContact CG2-CG1 4.44Å; T107-A119 HydrophobicContact CG2-CB 4.04Å; T107-A130 WeakPolarHBondContact OG1-CB 3.48Å; T107-F258 HydrophobicContact CG2-CE1 4.4Å; T107-F258 HydrophobicContact CG2-CZ 4.46Å; T107-I280 HydrophobicContact CG2-CB 4.3Å; T107-I280 HydrophobicContact CG2-CD1 3.84Å; T107-I280 HydrophobicContact CG2-CG2 3.94Å
108	I	94.3	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-45.9	-171.4	-66.8	173.1	0	0	0	112	F79 M82 Q104 V110 I111 L112 V133	F79-I108 HydrophobicContact CE1-CD1 4Å; M82-I108 HydrophobicContact CE-CB 4.3Å; M82-I108 HydrophobicContact CE-CD1 4.34Å; M82-I108 HydrophobicContact SD-CB 4.24Å; M82-I108 HydrophobicContact SD-CD1 4.09Å; M82-I108 HydrophobicContact SD-CG2 3.93Å; Q104-I108 HydrophobicContact CB-CD1 3.81Å; Q104-I108 HydrophobicContact CB-CG1 4.43Å; Q104-I108 HydrophobicContact CG-CD1 4.29Å; Q104-I108 VanDerWaalsContact O-CB 3.26Å; Q104-I108 WeakPolarHBondContact O-CB 3.26Å; Q104-I108 VanDerWaalsContact O-CG1 3.25Å; Q104-I108 WeakPolarHBondContact O-CG1 3.43Å; Q104-I108 PolarHBondContact O-N 3.17Å; I108-V110 PolarHBondContact O-N 3.32Å; I108-I111 PolarHBondContact O-N 3.18Å; I108-L112 HydrophobicContact CG2-CD1 3.83Å; I108-L112 HydrophobicContact CG2-CG 4.25Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.29Å; I108-L112 PolarHBondContact O-N 3.41Å; I108-V133 HydrophobicContact CD1-CB 4.24Å; I108-V133 HydrophobicContact CD1-CG1 4.33Å; I108-V133 HydrophobicContact CG2-CG1 4.41Å
109	P	92.3	Very high	91.8	Very high	53 Å²	53	42.4 Å²	42.4	34%	0.344	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-46.8	176.9	-23.7	35.2	0	0	0	112.8	R105 I111 L112 D113	R105-P109 WeakPolarHBondContact O-CD 3.38Å; P109-I111 VanDerWaalsContact C-N 3.27Å; P109-I111 PolarHBondContact O-N 3.03Å; P109-L112 WeakPolarHBondContact O-CB 3.47Å; P109-L112 PolarHBondContact O-N 3.15Å; P109-D113 PolarHBondContact O-N 3.42Å
110	V	93.8	Very high	92	Very high	30 Å²	30	39.1 Å²	39.1	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-32.8	-178.8	-179.1	0	0	0	0	112.3	T107 I108 K115 V117 V278 I280	T107-V110 PolarHBondContact O-N 2.89Å; T107-V110 VanDerWaalsContact O-N 3.17Å; I108-V110 PolarHBondContact O-N 3.32Å; V110-K115 HydrophobicContact CG1-CB 4.14Å; V110-K115 HydrophobicContact CG1-CD 4.33Å; V110-K115 PolarHBondContact O-N 3.34Å; V110-V117 HydrophobicContact CB-CG2 4.37Å; V110-V117 HydrophobicContact CG1-CG2 3.74Å; V110-V278 HydrophobicContact CG1-CB 3.88Å; V110-V278 HydrophobicContact CG1-CG1 4.11Å; V110-V278 HydrophobicContact CG1-CG2 3.74Å; V110-I280 HydrophobicContact CB-CD1 4.23Å; V110-I280 HydrophobicContact CG1-CD1 4.46Å; V110-I280 HydrophobicContact CG2-CD1 4.09Å
111	I	95.6	Very high	91.6	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-36.6	174.7	-58.3	161.3	0	0	0	110.8	T107 I108 P109 D113 G114 V117 A130 P134 Y224 Q254 L256 F258	T107-I111 WeakPolarHBondContact O-CD1 3.24Å; T107-I111 VanDerWaalsContact O-CG1 3.24Å; T107-I111 WeakPolarHBondContact O-CG1 3.45Å; T107-I111 PolarHBondContact O-N 3.09Å; I108-I111 PolarHBondContact O-N 3.18Å; P109-I111 VanDerWaalsContact C-N 3.27Å; P109-I111 PolarHBondContact O-N 3.03Å; I111-D113 VanDerWaalsContact C-N 3.28Å; I111-D113 PolarHBondContact O-N 3.25Å; I111-G114 PolarHBondContact O-N 3.13Å; I111-V117 HydrophobicContact CG1-CB 4.5Å; I111-V117 HydrophobicContact CG1-CG2 3.8Å; I111-A130 WeakPolarHBondContact CD1-O 3.36Å; I111-P134 HydrophobicContact CB-CB 3.99Å; I111-P134 HydrophobicContact CB-CG 3.87Å; I111-P134 HydrophobicContact CD1-CG 4.05Å; I111-P134 HydrophobicContact CG2-CB 3.56Å; I111-P134 HydrophobicContact CG2-CG 3.54Å; I111-Y224 HydrophobicContact CG2-CE2 3.86Å; I111-Y224 WeakPolarHBondContact CG2-OH 3.48Å; I111-Q254 PolarHBondContact O-NE2 3.36Å; I111-L256 HydrophobicContact CD1-CD1 3.81Å; I111-L256 HydrophobicContact CG1-CD1 4Å; I111-L256 HydrophobicContact CG1-CD2 4Å; I111-L256 HydrophobicContact CG2-CD1 3.74Å; I111-L256 HydrophobicContact CG2-CD2 4.23Å; I111-F258 HydrophobicContact CD1-CZ 4.28Å
112	L	93.1	Very high	90.9	Very high	63 Å²	63	43.9 Å²	43.9	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-30.1	174	-70.9	172.6	0	0	0	112.3	L84 I108 P109 G114 P134 E137	L84-L112 HydrophobicContact CD2-CD1 4.24Å; I108-L112 HydrophobicContact CG2-CD1 3.83Å; I108-L112 HydrophobicContact CG2-CG 4.25Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.29Å; I108-L112 PolarHBondContact O-N 3.41Å; P109-L112 WeakPolarHBondContact O-CB 3.47Å; P109-L112 PolarHBondContact O-N 3.15Å; L112-G114 PolarHBondContact O-N 2.81Å; L112-G114 VanDerWaalsContact O-N 3.15Å; L112-P134 HydrophobicContact CD2-CB 3.79Å; L112-P134 HydrophobicContact CG-CB 4.06Å; L112-E137 HydrophobicContact CD2-CB 3.89Å; L112-E137 HydrophobicContact CD2-CG 3.85Å
113	D	92.3	Very high	90.1	Very high	110 Å²	110	42.4 Å²	42.4	59%	0.588	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	0.5	169.4	-66.5	-14.7	0	0	0	113.3	P109 I111 K115	P109-D113 PolarHBondContact O-N 3.42Å; I111-D113 VanDerWaalsContact C-N 3.28Å; I111-D113 PolarHBondContact O-N 3.25Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 HydrophobicContact CB-CD 4.48Å; D113-K115 HydrophobicContact CB-CG 4.43Å; D113-K115 PolarHBondContact O-N 3.03Å
114	G	91.7	Very high	89.1	Confident	44 Å²	44	45.7 Å²	45.7	45%	0.454	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	1.6	176.5	0	0	0	0	0	115.6	I111 L112 Q254	I111-G114 PolarHBondContact O-N 3.13Å; L112-G114 PolarHBondContact O-N 2.81Å; L112-G114 VanDerWaalsContact O-N 3.15Å; G114-Q254 PolarHBondContact O-NE2 3.13Å
115	K	93.4	Very high	88.3	Confident	110 Å²	110	46.9 Å²	46.9	48%	0.478	25%	0.254	S	S	.	.			trans	-78.2	153.5	-175.1	-61.4	175.9	-179.2	170.7	0	112.8	V110 D113 Q254 V278	V110-K115 HydrophobicContact CG1-CB 4.14Å; V110-K115 HydrophobicContact CG1-CD 4.33Å; V110-K115 PolarHBondContact O-N 3.34Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 HydrophobicContact CB-CD 4.48Å; D113-K115 HydrophobicContact CB-CG 4.43Å; D113-K115 PolarHBondContact O-N 3.03Å; K115-Q254 PolarHBondContact O-NE2 2.98Å; K115-V278 HydrophobicContact CB-CG2 4.29Å; K115-V278 HydrophobicContact CD-CG2 4.07Å
116	D	95.1	Very high	88.1	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.048	24%	0.237	C	C	.	.			trans	-72.7	148.1	167.2	-77.8	8.7	0	0	0	110.4	Q254 T255 L274 T275 P277 V278	D116-Q254 WeakPolarHBondContact OD1-CA 3.48Å; D116-T255 WeakPolarHBondContact CA-O 3.29Å; D116-T255 WeakPolarHBondContact CB-O 3.39Å; D116-T255 VanDerWaalsContact CG-O 3.28Å; D116-T255 PolarHBondContact OD1-N 2.96Å; D116-L274 HydrophobicContact CB-CB 4.16Å; D116-L274 HydrophobicContact CB-CD2 4.4Å; D116-L274 HydrophobicContact CB-CG 4.38Å; D116-L274 WeakPolarHBondContact OD2-CA 3.42Å; D116-L274 VanDerWaalsContact OD2-CB 3.31Å; D116-L274 WeakPolarHBondContact OD2-CB 3.35Å; D116-T275 PolarHBondContact OD2-N 3.2Å; D116-P277 HydrophobicContact CB-CB 4.07Å; D116-P277 WeakPolarHBondContact O-CA 3.48Å; D116-V278 PolarHBondContact O-N 2.74Å
117	V	94.6	Very high	88.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.6	-174.3	-178.9	0	0	0	0	111.7	T107 V110 I111 A119 T255 L256 L257 V278 I280	T107-V117 HydrophobicContact CG2-CG1 4.44Å; V110-V117 HydrophobicContact CB-CG2 4.37Å; V110-V117 HydrophobicContact CG1-CG2 3.74Å; I111-V117 HydrophobicContact CG1-CB 4.5Å; I111-V117 HydrophobicContact CG1-CG2 3.8Å; V117-A119 HydrophobicContact CG1-CB 4.09Å; V117-T255 PolarHBondContact N-O 2.84Å; V117-L256 HydrophobicContact CB-CD2 3.97Å; V117-L256 HydrophobicContact CG2-CD2 4.12Å; V117-L257 PolarHBondContact O-N 2.85Å; V117-V278 WeakPolarHBondContact CA-O 3.43Å; V117-I280 HydrophobicContact CG1-CB 4.36Å; V117-I280 HydrophobicContact CG1-CD1 3.83Å; V117-I280 HydrophobicContact CG1-CG1 4.1Å
118	V	94.3	Very high	88	Confident	8 Å²	8	38.1 Å²	38.1	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.3	165.2	175.7	0	0	0	0	108.1	L257 L262 A270 L274 P277 V278 L279 I280	V118-L257 CarbonylContact C-O 3.58Å; V118-L257 WeakPolarHBondContact CA-O 3.48Å; V118-L257 HydrophobicContact CG1-CD2 4.39Å; V118-L257 HydrophobicContact CG2-CB 4.32Å; V118-L257 HydrophobicContact CG2-CD1 4.36Å; V118-L262 HydrophobicContact CG1-CD1 3.98Å; V118-L262 HydrophobicContact CG1-CD2 3.86Å; V118-A270 HydrophobicContact CG2-CB 4.07Å; V118-L274 HydrophobicContact CG2-CD2 3.72Å; V118-P277 HydrophobicContact CG2-CB 4.02Å; V118-P277 HydrophobicContact CG2-CG 4.44Å; V118-V278 PolarHBondContact N-O 3.14Å; V118-L279 HydrophobicContact CB-CD1 3.91Å; V118-L279 HydrophobicContact CG1-CD1 3.58Å; V118-I280 PolarHBondContact O-N 3.3Å
119	A	92	Very high	87.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.8	-173.5	0	0	0	0	0	111.7	I103 T107 V117 L257 F258 S259	I103-A119 HydrophobicContact CD1-CB 4.32Å; T107-A119 HydrophobicContact CG2-CB 4.04Å; V117-A119 HydrophobicContact CG1-CB 4.09Å; A119-L257 PolarHBondContact N-O 3.47Å; A119-F258 HydrophobicContact CB-CD1 3.53Å; A119-F258 HydrophobicContact CB-CD2 4.45Å; A119-F258 HydrophobicContact CB-CE1 3.48Å; A119-F258 VanDerWaalsContact CB-CE1 3.48Å; A119-F258 HydrophobicContact CB-CE2 4.39Å; A119-F258 HydrophobicContact CB-CG 4.06Å; A119-F258 HydrophobicContact CB-CZ 3.93Å; A119-S259 PolarHBondContact O-N 2.91Å
120	M	88	Confident	88.1	Confident	21 Å²	21	35.7 Å²	35.7	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.5	172.5	-74.9	-170.3	-76.3	0	0	111	S259 L262 L279 I280 R281 L282	M120-S259 WeakPolarHBondContact CA-O 3.46Å; M120-L262 HydrophobicContact CE-CD1 3.83Å; M120-L262 HydrophobicContact CG-CD1 4Å; M120-L262 HydrophobicContact CG-CG 3.93Å; M120-L262 HydrophobicContact SD-CB 4.33Å; M120-L262 HydrophobicContact SD-CD1 3.61Å; M120-L262 HydrophobicContact SD-CG 3.67Å; M120-L279 HydrophobicContact CE-CD1 4.18Å; M120-I280 PolarHBondContact N-O 3.04Å; M120-R281 HydrophobicContact CE-CB 3.93Å; M120-R281 HydrophobicContact CE-CG 3.82Å; M120-L282 PolarHBondContact O-N 3.44Å
121	A	81.7	Confident	88.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.203	C	C	.	.			trans	-158.3	143	170.9	0	0	0	0	0	113	I103 K127 S259 L282	I103-A121 HydrophobicContact CB-CB 4.37Å; I103-A121 HydrophobicContact CD1-CB 4.06Å; I103-A121 HydrophobicContact CG1-CB 4.06Å; A121-K127 HydrophobicContact CB-CD 4.12Å; A121-K127 HydrophobicContact CB-CG 4.09Å; A121-K127 WeakPolarHBondContact O-CD 3.47Å; A121-K127 PolarHBondContact O-NZ 3.45Å; A121-S259 PolarHBondContact N-O 2.78Å; A121-L282 HydrophobicContact CB-CD1 4.31Å
122	R	72.9	Confident	88.2	Confident	142 Å²	142	34.1 Å²	34.1	54%	0.536	20%	0.202	S	C	.	.			trans	-60.8	147.3	174.3	59.3	-175.4	171.3	-161.2	-2.4	112.3	S125	R122-S125 WeakPolarHBondContact CG-OG 3.19Å; R122-S125 VanDerWaalsContact O-CB 3.26Å; R122-S125 WeakPolarHBondContact O-CB 3.31Å; R122-S125 PolarHBondContact O-N 3.04Å; R122-S125 VanDerWaalsContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 2.95Å
123	T	71	Confident	88.2	Confident	54 Å²	54	31.1 Å²	31.1	33%	0.331	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	139.1	173.8	-42.7	0	0	0	0	110	E229	T123-E229 VanDerWaalsContact CG2-OE1 3.29Å; T123-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T123-E229 PolarHBondContact OG1-OE1 2.93Å
124	G	67.6	Low	88.4	Confident	69 Å²	69	26 Å²	26	71%	0.711	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-13.6	-170.7	0	0	0	0	0	115.4	G126	G124-G126 PolarHBondContact O-N 3.36Å
125	S	75.9	Confident	88.6	Confident	25 Å²	25	24 Å²	24	18%	0.175	14%	0.138	C	C	.	.	S	Bend	trans	-67.1	-0.3	178.2	-53	0	0	0	0	115.2	T101 I103 R122	T101-S125 WeakPolarHBondContact CB-O 3.36Å; T101-S125 PolarHBondContact OG1-O 3.43Å; I103-S125 WeakPolarHBondContact CG2-O 3.25Å; R122-S125 WeakPolarHBondContact CG-OG 3.19Å; R122-S125 VanDerWaalsContact O-CB 3.26Å; R122-S125 WeakPolarHBondContact O-CB 3.31Å; R122-S125 PolarHBondContact O-N 3.04Å; R122-S125 VanDerWaalsContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 2.95Å
126	G	85.6	Confident	88.6	Confident	16 Å²	16	18.8 Å²	18.8	17%	0.165	12%	0.115	C	C	.	.	S	Bend	trans	87.4	18.5	-175.7	0	0	0	0	0	115.2	Q104 G124 T128 A129 A130	Q104-G126 PolarHBondContact NE2-O 2.94Å; G124-G126 PolarHBondContact O-N 3.36Å; G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.31Å; G126-A129 PolarHBondContact O-N 3.4Å; G126-A130 PolarHBondContact O-N 3.23Å
127	K	90.3	Very high	88.5	Confident	8 Å²	8	19.1 Å²	19.1	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-47.8	-44.5	-179.4	-66.8	-168.3	-70	175.3	0	113.6	A121 A129 A130 F131 D228 F258	A121-K127 HydrophobicContact CB-CD 4.12Å; A121-K127 HydrophobicContact CB-CG 4.09Å; A121-K127 WeakPolarHBondContact O-CD 3.47Å; A121-K127 PolarHBondContact O-NZ 3.45Å; K127-A129 PolarHBondContact O-N 3.45Å; K127-A130 WeakPolarHBondContact O-CA 3.39Å; K127-A130 WeakPolarHBondContact O-CB 3.26Å; K127-A130 PolarHBondContact O-N 3.35Å; K127-F131 VanDerWaalsContact O-CD1 3.22Å; K127-F131 WeakPolarHBondContact O-CD1 3.22Å; K127-F131 PolarHBondContact O-N 3.32Å; K127-D228 IonicContact NZ-OD1 2.61Å; K127-F258 HydrophobicContact CB-CD1 3.96Å; K127-F258 HydrophobicContact CB-CE1 4.46Å; K127-F258 HydrophobicContact CD-CB 4.3Å; K127-F258 HydrophobicContact CD-CD1 4Å; K127-F258 HydrophobicContact CG-CD1 4.02Å
128	T	92.8	Very high	88.3	Confident	34 Å²	34	22.5 Å²	22.5	21%	0.209	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-45.9	-174.8	-34.7	0	0	0	0	112.7	G126 A130 F131 L132 T163 F166	G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.31Å; T128-A130 VanDerWaalsContact C-N 3.27Å; T128-A130 PolarHBondContact O-N 3.44Å; T128-F131 HydrophobicContact CG2-CE2 4.11Å; T128-F131 HydrophobicContact CG2-CZ 3.86Å; T128-F131 PolarHBondContact O-N 2.88Å; T128-L132 HydrophobicContact CG2-CD1 3.88Å; T128-L132 HydrophobicContact CG2-CG 4.49Å; T128-L132 WeakPolarHBondContact O-CB 3.47Å; T128-L132 WeakPolarHBondContact O-CG 3.5Å; T128-L132 PolarHBondContact O-N 3.49Å; T128-T163 HydrophobicContact CG2-CG2 4.04Å; T128-F166 HydrophobicContact CG2-CD1 3.71Å; T128-F166 HydrophobicContact CG2-CE1 4.22Å; T128-F166 HydrophobicContact CG2-CG 4.48Å
129	A	92.9	Very high	88.2	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-28.3	173	0	0	0	0	0	112.6	G126 K127 F131 L132 V133 F166 L170	G126-A129 PolarHBondContact O-N 3.4Å; K127-A129 PolarHBondContact O-N 3.45Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 3.23Å; A129-L132 PolarHBondContact O-N 3.4Å; A129-V133 HydrophobicContact CB-CG2 4.5Å; A129-V133 WeakPolarHBondContact O-CB 3.33Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.45Å; A129-V133 PolarHBondContact O-N 2.92Å; A129-F166 HydrophobicContact CB-CE1 3.93Å; A129-F166 HydrophobicContact CB-CZ 3.97Å; A129-L170 HydrophobicContact CB-CD2 4.42Å
130	A	94.5	Very high	87.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-26.4	-178.9	0	0	0	0	0	113.3	I103 Q104 T107 I111 G126 K127 T128 P134 F258	I103-A130 HydrophobicContact CG2-CB 4.36Å; Q104-A130 HydrophobicContact CB-CB 4.42Å; Q104-A130 HydrophobicContact CG-CB 3.7Å; T107-A130 WeakPolarHBondContact OG1-CB 3.48Å; I111-A130 WeakPolarHBondContact CD1-O 3.36Å; G126-A130 PolarHBondContact O-N 3.23Å; K127-A130 WeakPolarHBondContact O-CA 3.39Å; K127-A130 WeakPolarHBondContact O-CB 3.26Å; K127-A130 PolarHBondContact O-N 3.35Å; T128-A130 VanDerWaalsContact C-N 3.27Å; T128-A130 PolarHBondContact O-N 3.44Å; A130-P134 WeakPolarHBondContact O-CG 3.21Å; A130-F258 HydrophobicContact CB-CE1 4.17Å; A130-F258 HydrophobicContact CB-CZ 4.36Å
131	F	95.7	Very high	87.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-102.3	-27.1	169.7	58.5	-109.4	0	0	0	114.5	K127 T128 A129 M135 I152 T163 Y224 V226 D228 L256 F258	K127-F131 VanDerWaalsContact O-CD1 3.22Å; K127-F131 WeakPolarHBondContact O-CD1 3.22Å; K127-F131 PolarHBondContact O-N 3.32Å; T128-F131 HydrophobicContact CG2-CE2 4.11Å; T128-F131 HydrophobicContact CG2-CZ 3.86Å; T128-F131 PolarHBondContact O-N 2.88Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 3.23Å; F131-M135 VanDerWaalsContact O-CB 3.32Å; F131-M135 WeakPolarHBondContact O-CB 3.45Å; F131-M135 PolarHBondContact O-N 2.89Å; F131-I152 HydrophobicContact CE2-CD1 4.17Å; F131-I152 HydrophobicContact CE2-CG2 4.29Å; F131-T163 HydrophobicContact CE2-CG2 4.44Å; F131-Y224 PolarHBondContact O-OH 2.99Å; F131-V226 HydrophobicContact CB-CG1 4.3Å; F131-V226 HydrophobicContact CB-CG2 4.19Å; F131-V226 HydrophobicContact CD1-CG1 3.84Å; F131-V226 HydrophobicContact CD2-CG1 3.93Å; F131-V226 HydrophobicContact CD2-CG2 4.14Å; F131-V226 HydrophobicContact CE1-CG1 4Å; F131-V226 HydrophobicContact CE2-CG1 4.11Å; F131-V226 HydrophobicContact CG-CG1 3.79Å; F131-V226 HydrophobicContact CG-CG2 4.28Å; F131-V226 HydrophobicContact CZ-CG1 4.13Å; F131-D228 HydrophobicContact CE1-CB 3.98Å; F131-D228 HydrophobicContact CZ-CB 4.07Å; F131-L256 HydrophobicContact CB-CD1 4.09Å; F131-F258 HydrophobicContact CB-CD2 4.38Å; F131-F258 HydrophobicContact CB-CE2 3.7Å; F131-F258 HydrophobicContact CB-CZ 4.07Å; F131-F258 HydrophobicContact CD1-CD1 4.36Å; F131-F258 AromaticContact CD1-CD2 3.71Å; F131-F258 HydrophobicContact CD1-CD2 3.71Å; F131-F258 HydrophobicContact CD1-CE1 4.41Å; F131-F258 AromaticContact CD1-CE2 3.78Å; F131-F258 HydrophobicContact CD1-CE2 3.78Å; F131-F258 HydrophobicContact CD1-CG 4.02Å; F131-F258 HydrophobicContact CD1-CZ 4.13Å; F131-F258 HydrophobicContact CE1-CD2 4.45Å; F131-F258 HydrophobicContact CE1-CG 4.47Å; F131-F258 HydrophobicContact CG-CD2 4.46Å; F131-F258 HydrophobicContact CG-CE2 4.22Å
132	L	96	Very high	87.1	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76	-37.4	-180	-70.6	176.5	0	0	0	113.9	T128 A129 M135 F136 I152 F166 T167 L170	T128-L132 HydrophobicContact CG2-CD1 3.88Å; T128-L132 HydrophobicContact CG2-CG 4.49Å; T128-L132 WeakPolarHBondContact O-CB 3.47Å; T128-L132 WeakPolarHBondContact O-CG 3.5Å; T128-L132 PolarHBondContact O-N 3.49Å; A129-L132 PolarHBondContact O-N 3.4Å; L132-M135 HydrophobicContact CD2-CE 3.43Å; L132-M135 VanDerWaalsContact CD2-CE 3.43Å; L132-M135 HydrophobicContact CD2-SD 4.21Å; L132-M135 WeakPolarHBondContact O-CB 3.33Å; L132-M135 PolarHBondContact O-N 2.72Å; L132-F136 HydrophobicContact CB-CE2 4.15Å; L132-F136 WeakPolarHBondContact O-CD2 3.13Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.26Å; L132-F136 PolarHBondContact O-N 3.39Å; L132-I152 HydrophobicContact CD2-CD1 3.6Å; L132-F166 HydrophobicContact CD1-CD1 3.59Å; L132-F166 HydrophobicContact CD1-CE1 4.03Å; L132-T167 WeakPolarHBondContact CD1-OG1 3.42Å; L132-T167 HydrophobicContact CD2-CG2 4.05Å; L132-L170 HydrophobicContact CB-CD2 4Å; L132-L170 HydrophobicContact CD1-CD2 4.43Å
133	V	94.9	Very high	87.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-53.5	178.5	169.5	0	0	0	0	111.9	L84 V88 V92 I108 A129 F136 E137 L170	L84-V133 HydrophobicContact CD1-CG1 3.6Å; L84-V133 HydrophobicContact CD2-CG1 3.56Å; L84-V133 HydrophobicContact CG-CG1 4.24Å; V88-V133 HydrophobicContact CG1-CG1 4.11Å; V92-V133 HydrophobicContact CG2-CG2 3.78Å; I108-V133 HydrophobicContact CD1-CB 4.24Å; I108-V133 HydrophobicContact CD1-CG1 4.33Å; I108-V133 HydrophobicContact CG2-CG1 4.41Å; A129-V133 HydrophobicContact CB-CG2 4.5Å; A129-V133 WeakPolarHBondContact O-CB 3.33Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.45Å; A129-V133 PolarHBondContact O-N 2.92Å; V133-F136 PolarHBondContact O-N 2.97Å; V133-E137 PolarHBondContact O-N 2.71Å; V133-L170 HydrophobicContact CG2-CD2 4.08Å
134	P	95.2	Very high	87	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-32.3	176.2	24	-32.6	0	0	0	113.5	I111 L112 A130 F136 E137 K138	I111-P134 HydrophobicContact CB-CB 3.99Å; I111-P134 HydrophobicContact CB-CG 3.87Å; I111-P134 HydrophobicContact CD1-CG 4.05Å; I111-P134 HydrophobicContact CG2-CB 3.56Å; I111-P134 HydrophobicContact CG2-CG 3.54Å; L112-P134 HydrophobicContact CD2-CB 3.79Å; L112-P134 HydrophobicContact CG-CB 4.06Å; A130-P134 WeakPolarHBondContact O-CG 3.21Å; P134-F136 VanDerWaalsContact C-N 3.31Å; P134-F136 PolarHBondContact O-N 2.77Å; P134-E137 PolarHBondContact O-N 2.84Å; P134-K138 WeakPolarHBondContact O-CB 3.41Å; P134-K138 PolarHBondContact O-N 3.32Å
135	M	95.9	Very high	87	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-43.5	173.3	-171.5	-173.8	72.8	0	0	111.8	F131 L132 K138 L139 A150 I152 T167 I200 Y224	F131-M135 VanDerWaalsContact O-CB 3.32Å; F131-M135 WeakPolarHBondContact O-CB 3.45Å; F131-M135 PolarHBondContact O-N 2.89Å; L132-M135 HydrophobicContact CD2-CE 3.43Å; L132-M135 VanDerWaalsContact CD2-CE 3.43Å; L132-M135 HydrophobicContact CD2-SD 4.21Å; L132-M135 WeakPolarHBondContact O-CB 3.33Å; L132-M135 PolarHBondContact O-N 2.72Å; M135-K138 PolarHBondContact O-N 2.91Å; M135-L139 HydrophobicContact CE-CD1 4.46Å; M135-L139 HydrophobicContact CG-CD1 3.81Å; M135-L139 HydrophobicContact CG-CG 4.37Å; M135-L139 WeakPolarHBondContact O-CB 3.21Å; M135-L139 VanDerWaalsContact O-CG 3.29Å; M135-L139 WeakPolarHBondContact O-CG 3.41Å; M135-L139 PolarHBondContact O-N 3.09Å; M135-L139 HydrophobicContact SD-CD1 4.43Å; M135-A150 HydrophobicContact CG-CB 4.02Å; M135-A150 HydrophobicContact SD-CB 3.68Å; M135-I152 HydrophobicContact CE-CD1 4.37Å; M135-I152 HydrophobicContact SD-CD1 4.02Å; M135-I152 HydrophobicContact SD-CG1 4.44Å; M135-T167 HydrophobicContact CE-CG2 4.44Å; M135-I200 HydrophobicContact CE-CD1 3.56Å; M135-I200 HydrophobicContact CE-CG1 4.04Å; M135-I200 HydrophobicContact CE-CG2 4.26Å; M135-I200 HydrophobicContact SD-CG1 4.48Å; M135-I200 HydrophobicContact SD-CG2 4.42Å; M135-Y224 HydrophobicContact CB-CD1 4Å; M135-Y224 HydrophobicContact CB-CE1 3.44Å; M135-Y224 VanDerWaalsContact CB-CE1 3.44Å; M135-Y224 HydrophobicContact CG-CD1 3.58Å; M135-Y224 HydrophobicContact CG-CE1 3.56Å; M135-Y224 HydrophobicContact CG-CG 4.27Å; M135-Y224 PolarHBondContact N-OH 3.35Å; M135-Y224 HydrophobicContact SD-CD1 4.08Å; M135-Y224 HydrophobicContact SD-CE1 4.09Å
136	F	94.5	Very high	86.9	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-35.6	177.6	-62.4	-40.4	0	0	0	112.8	V88 L132 V133 P134 K138 K140 T167 L170 G171 T174 L176 I200	V88-F136 HydrophobicContact CG1-CB 4.29Å; V88-F136 HydrophobicContact CG2-CB 3.64Å; L132-F136 HydrophobicContact CB-CE2 4.15Å; L132-F136 WeakPolarHBondContact O-CD2 3.13Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.26Å; L132-F136 PolarHBondContact O-N 3.39Å; V133-F136 PolarHBondContact O-N 2.97Å; P134-F136 VanDerWaalsContact C-N 3.31Å; P134-F136 PolarHBondContact O-N 2.77Å; F136-K138 VanDerWaalsContact C-N 3.32Å; F136-K140 VanDerWaalsContact O-CA 3.32Å; F136-K140 WeakPolarHBondContact O-CA 3.22Å; F136-K140 PolarHBondContact O-N 3.35Å; F136-T167 HydrophobicContact CE1-CG2 3.89Å; F136-T167 HydrophobicContact CZ-CG2 3.62Å; F136-L170 HydrophobicContact CE2-CB 4.07Å; F136-L170 HydrophobicContact CE2-CD2 3.97Å; F136-L170 HydrophobicContact CE2-CG 3.92Å; F136-G171 VanDerWaalsContact CZ-CA 3.48Å; F136-T174 HydrophobicContact CB-CG2 4.16Å; F136-T174 HydrophobicContact CD1-CG2 4.38Å; F136-T174 HydrophobicContact CG-CG2 4.21Å; F136-L176 HydrophobicContact CD1-CD1 3.75Å; F136-L176 HydrophobicContact CE1-CD1 4.35Å; F136-I200 HydrophobicContact CE1-CD1 4.04Å
137	E	92	Very high	86.7	Confident	17 Å²	17	39 Å²	39	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-31.3	174.5	-173.8	64	-159.8	0	0	112.3	R63 S85 L112 V133 P134 K140	R63-E137 IonicContact CZ-OE1 2.85Å; R63-E137 IonicContact NH2-OE1 3.89Å; R63-E137 PolarHBondContact NH2-OE1 3.5Å; S85-E137 WeakPolarHBondContact CB-OE2 3.45Å; S85-E137 PolarHBondContact N-OE2 2.93Å; S85-E137 PolarHBondContact OG-OE2 3.18Å; L112-E137 HydrophobicContact CD2-CB 3.89Å; L112-E137 HydrophobicContact CD2-CG 3.85Å; V133-E137 PolarHBondContact O-N 2.71Å; P134-E137 PolarHBondContact O-N 2.84Å; E137-K140 WeakPolarHBondContact O-CG 3.35Å
138	K	91.4	Very high	86.8	Confident	71 Å²	71	39.1 Å²	39.1	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-71.2	-55.4	173.8	-164	-178.1	-173.9	169.1	0	111.6	P134 M135 F136 K140 E223 Y224	P134-K138 WeakPolarHBondContact O-CB 3.41Å; P134-K138 PolarHBondContact O-N 3.32Å; M135-K138 PolarHBondContact O-N 2.91Å; F136-K138 VanDerWaalsContact C-N 3.32Å; K138-K140 PolarHBondContact O-N 3.34Å; K138-E223 WeakPolarHBondContact CG-OE1 3.4Å; K138-E223 PolarHBondContact NZ-O 3.46Å; K138-Y224 HydrophobicContact CD-CD2 3.78Å; K138-Y224 HydrophobicContact CD-CE2 4.49Å; K138-Y224 HydrophobicContact CD-CG 4.5Å
139	L	90.6	Very high	86.9	Confident	4 Å²	4	38 Å²	38	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-32.2	-177.6	-67.9	174.2	0	0	0	113.6	M135 A141 R149 A150 L176 I200 E223	M135-L139 HydrophobicContact CE-CD1 4.46Å; M135-L139 HydrophobicContact CG-CD1 3.81Å; M135-L139 HydrophobicContact CG-CG 4.37Å; M135-L139 WeakPolarHBondContact O-CB 3.21Å; M135-L139 VanDerWaalsContact O-CG 3.29Å; M135-L139 WeakPolarHBondContact O-CG 3.41Å; M135-L139 PolarHBondContact O-N 3.09Å; M135-L139 HydrophobicContact SD-CD1 4.43Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.39Å; L139-A141 VanDerWaalsContact O-O 3.05Å; L139-R149 HydrophobicContact CD2-CB 3.4Å; L139-R149 VanDerWaalsContact CD2-CB 3.4Å; L139-R149 HydrophobicContact CD2-CG 4.48Å; L139-R149 PolarHBondContact O-NH1 3.1Å; L139-R149 PolarHBondContact O-NH2 3.37Å; L139-A150 HydrophobicContact CD1-CB 3.98Å; L139-A150 HydrophobicContact CD2-CB 4.48Å; L139-L176 HydrophobicContact CB-CD1 3.87Å; L139-L176 HydrophobicContact CB-CD2 4.11Å; L139-L176 HydrophobicContact CD1-CD1 4.04Å; L139-I200 HydrophobicContact CD1-CD1 3.93Å; L139-I200 HydrophobicContact CD1-CG1 3.64Å; L139-E223 WeakPolarHBondContact CD2-OE1 3.32Å
140	K	83.2	Confident	87	Confident	135 Å²	135	37.9 Å²	37.9	59%	0.587	22%	0.219	S	C	*	.			trans	58.5	-70	-178	-58.7	173.5	-171.3	168.9	0	115.5	F136 E137 K138	F136-K140 VanDerWaalsContact O-CA 3.32Å; F136-K140 WeakPolarHBondContact O-CA 3.22Å; F136-K140 PolarHBondContact O-N 3.35Å; E137-K140 WeakPolarHBondContact O-CG 3.35Å; K138-K140 PolarHBondContact O-N 3.34Å
141	A	79.4	Confident	87.1	Confident	50 Å²	50	38 Å²	38	41%	0.413	22%	0.22	S	C	.	.	S	Bend	trans	-147.6	162.5	-173.7	0	0	0	0	0	109.9	L139 Q143 R149	L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.39Å; L139-A141 VanDerWaalsContact O-O 3.05Å; A141-Q143 PolarHBondContact O-N 2.81Å; A141-R149 PolarHBondContact O-NH2 3.29Å
142	P	76	Confident	87.2	Confident	60 Å²	60	38 Å²	38	39%	0.39	22%	0.22	S	C	.	.			trans	-57.7	132.1	176.8	-24.2	33.6	0	0	0	112.1	R175 L176	P142-R175 HydrophobicContact CG-CB 4.06Å; P142-R175 VanDerWaalsContact CG-O 3.26Å; P142-R175 WeakPolarHBondContact CG-O 3.32Å; P142-L176 HydrophobicContact CG-CD2 4.49Å
143	Q	77.3	Confident	87.2	Confident	110 Å²	110	38 Å²	38	51%	0.514	22%	0.22	S	C	.	.			trans	-96.9	156.8	172.7	-76.2	176.4	-43.8	0	0	110.6	A141 Q145 R149	A141-Q143 PolarHBondContact O-N 2.81Å; Q143-Q145 VanDerWaalsContact C-N 3.26Å; Q143-R149 VanDerWaalsContact CD-NH1 3.32Å
144	A	65.4	Low	87.1	Confident	110 Å²	110	38 Å²	38	91%	0.909	22%	0.219	S	C	*	.	S	Bend	trans	-78	-11.9	177	0	0	0	0	0	113.4
145	Q	67.3	Low	86.8	Confident	126 Å²	126	37.9 Å²	37.9	59%	0.589	22%	0.219	S	C	*	.	S	Bend	trans	-65.9	137.4	177	-174.5	174.8	-2.9	0	0	110.9	Q143	Q143-Q145 VanDerWaalsContact C-N 3.26Å
146	T	74.7	Confident	86.2	Confident	62 Å²	62	38.5 Å²	38.5	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-79.1	146.4	179.2	39.5	0	0	0	0	112.5	S221	T146-S221 PolarHBondContact O-OG 3.21Å
147	G	81.6	Confident	85.8	Confident	26 Å²	26	40 Å²	40	27%	0.268	23%	0.228	S	C	.	.	S	Bend	trans	96.9	156.2	-177.6	0	0	0	0	0	114.2
148	A	91.4	Very high	85.3	Confident	9 Å²	9	40.1 Å²	40.1	7%	0.074	23%	0.229	C	C	.	.			trans	-73.2	145.7	178.7	0	0	0	0	0	111.8	P198 I201 S221 V222	A148-P198 VanDerWaalsContact CA-O 3.27Å; A148-P198 WeakPolarHBondContact CA-O 3.47Å; A148-P198 WeakPolarHBondContact CB-O 3.37Å; A148-I201 HydrophobicContact CB-CD1 3.55Å; A148-I201 HydrophobicContact CB-CG1 3.7Å; A148-S221 CarbonylContact O-C 3.57Å; A148-S221 WeakPolarHBondContact O-CB 3.41Å; A148-V222 WeakPolarHBondContact O-CG2 3.32Å; A148-V222 PolarHBondContact O-N 2.78Å
149	R	94.4	Very high	85	Confident	11 Å²	11	37.2 Å²	37.2	4%	0.042	22%	0.217	C	C	.	.	S	Bend	trans	-104.9	-24.3	-178.2	-64.4	-174.7	-67.4	144.4	-1.5	113.2	L139 A141 Q143 D199 S221 V222 E223 Y224	L139-R149 HydrophobicContact CD2-CB 3.4Å; L139-R149 VanDerWaalsContact CD2-CB 3.4Å; L139-R149 HydrophobicContact CD2-CG 4.48Å; L139-R149 PolarHBondContact O-NH1 3.1Å; L139-R149 PolarHBondContact O-NH2 3.37Å; A141-R149 PolarHBondContact O-NH2 3.29Å; Q143-R149 VanDerWaalsContact CD-NH1 3.32Å; R149-D199 IonicContact CZ-OD1 3.99Å; R149-D199 PolarHBondContact N-O 3.09Å; R149-D199 IonicContact NE-OD1 3.37Å; R149-D199 PolarHBondContact NE-OD1 3.24Å; R149-D199 IonicContact NH2-OD1 2.91Å; R149-D199 PolarHBondContact NH2-OD1 2.98Å; R149-S221 WeakPolarHBondContact CA-O 3.46Å; R149-V222 CarbonylContact O-C 3.34Å; R149-V222 WeakPolarHBondContact O-CA 3.42Å; R149-E223 HydrophobicContact CB-CG 4.4Å; R149-E223 WeakPolarHBondContact O-CG 3.27Å; R149-E223 PolarHBondContact O-N 3.35Å; R149-Y224 PolarHBondContact O-N 3.24Å
150	A	96	Very high	85	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.1	172.2	0	0	0	0	0	113	M135 L139 D199 I200 I201 Y224	M135-A150 HydrophobicContact CG-CB 4.02Å; M135-A150 HydrophobicContact SD-CB 3.68Å; L139-A150 HydrophobicContact CD1-CB 3.98Å; L139-A150 HydrophobicContact CD2-CB 4.48Å; A150-D199 PolarHBondContact N-O 2.91Å; A150-D199 VanDerWaalsContact N-O 3.08Å; A150-I200 HydrophobicContact CB-CG1 4.23Å; A150-I200 WeakPolarHBondContact O-CA 3.49Å; A150-I201 PolarHBondContact O-N 3.44Å; A150-Y224 CarbonylContact C-O 3.55Å; A150-Y224 VanDerWaalsContact CA-O 3.25Å; A150-Y224 WeakPolarHBondContact CA-O 3.33Å; A150-Y224 HydrophobicContact CB-CD1 4.36Å
151	L	96.8	Very high	85.3	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.6	178.8	174.4	59.9	0	0	0	111	L153 I201 L208 V222 Y224 V225 V226 I245 L249	L151-L153 HydrophobicContact CD1-CD2 4.13Å; L151-L153 HydrophobicContact CD1-CG 4.29Å; L151-L153 HydrophobicContact CD2-CD1 4.18Å; L151-L153 HydrophobicContact CD2-CD2 4.47Å; L151-L153 HydrophobicContact CD2-CG 4.27Å; L151-L153 HydrophobicContact CG-CD1 4.46Å; L151-L153 HydrophobicContact CG-CD2 4.4Å; L151-L153 HydrophobicContact CG-CG 4.08Å; L151-I201 WeakPolarHBondContact CA-O 3.4Å; L151-I201 HydrophobicContact CD1-CB 4.04Å; L151-I201 HydrophobicContact CD1-CG2 3.82Å; L151-L208 HydrophobicContact CD1-CD2 3.55Å; L151-L208 HydrophobicContact CD2-CD2 4.18Å; L151-V222 HydrophobicContact CB-CG1 4.01Å; L151-Y224 PolarHBondContact N-O 2.93Å; L151-V225 CarbonylContact O-C 3.59Å; L151-V225 WeakPolarHBondContact O-CA 3.32Å; L151-V226 PolarHBondContact O-N 2.98Å; L151-I245 HydrophobicContact CD2-CG2 3.95Å; L151-L249 HydrophobicContact CD2-CD1 4.36Å; L151-L249 HydrophobicContact CD2-CD2 4.27Å
152	I	97.5	Very high	85.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.1	176	-51.2	-178.9	0	0	0	109.1	F131 L132 M135 T154 T163 I200 I201 I202 G203 V226	F131-I152 HydrophobicContact CE2-CD1 4.17Å; F131-I152 HydrophobicContact CE2-CG2 4.29Å; L132-I152 HydrophobicContact CD2-CD1 3.6Å; M135-I152 HydrophobicContact CE-CD1 4.37Å; M135-I152 HydrophobicContact SD-CD1 4.02Å; M135-I152 HydrophobicContact SD-CG1 4.44Å; I152-T154 HydrophobicContact CG2-CG2 4.36Å; I152-T163 HydrophobicContact CD1-CG2 4.44Å; I152-T163 HydrophobicContact CG2-CG2 4.25Å; I152-I200 HydrophobicContact CD1-CG2 4.4Å; I152-I201 PolarHBondContact N-O 2.88Å; I152-I202 HydrophobicContact CB-CG1 4.26Å; I152-I202 HydrophobicContact CB-CG2 4.47Å; I152-I202 HydrophobicContact CD1-CD1 4.5Å; I152-I202 HydrophobicContact CD1-CG1 4.24Å; I152-I202 WeakPolarHBondContact O-CA 3.21Å; I152-G203 PolarHBondContact O-N 2.82Å; I152-V226 HydrophobicContact CG1-CB 4.31Å; I152-V226 HydrophobicContact CG1-CG2 4.43Å; I152-V226 HydrophobicContact CG2-CB 4.23Å; I152-V226 HydrophobicContact CG2-CG1 4.43Å
153	L	96.3	Very high	86.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.5	-179.9	-66.9	168.4	0	0	0	109.9	L151 P205 L208 V226 F227 D228 L242 I245	L151-L153 HydrophobicContact CD1-CD2 4.13Å; L151-L153 HydrophobicContact CD1-CG 4.29Å; L151-L153 HydrophobicContact CD2-CD1 4.18Å; L151-L153 HydrophobicContact CD2-CD2 4.47Å; L151-L153 HydrophobicContact CD2-CG 4.27Å; L151-L153 HydrophobicContact CG-CD1 4.46Å; L151-L153 HydrophobicContact CG-CD2 4.4Å; L151-L153 HydrophobicContact CG-CG 4.08Å; L153-P205 HydrophobicContact CD2-CG 4.38Å; L153-L208 HydrophobicContact CD2-CD2 3.69Å; L153-V226 PolarHBondContact N-O 3.43Å; L153-F227 HydrophobicContact CB-CD1 4.14Å; L153-F227 HydrophobicContact CD1-CD1 3.8Å; L153-F227 HydrophobicContact CD1-CE1 3.41Å; L153-F227 VanDerWaalsContact CD1-CE1 3.41Å; L153-F227 HydrophobicContact CD1-CZ 4.29Å; L153-D228 PolarHBondContact O-N 3.09Å; L153-L242 HydrophobicContact CD1-CD2 4.05Å; L153-I245 HydrophobicContact CD1-CG2 4.35Å; L153-I245 HydrophobicContact CD2-CD1 4.33Å
154	T	93.3	Very high	87.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.			trans	-129.1	143.3	-178.2	55.1	0	0	0	0	110.7	I152 T156 L159 A160 G203	I152-T154 HydrophobicContact CG2-CG2 4.36Å; T154-T156 VanDerWaalsContact C-N 3.31Å; T154-T156 PolarHBondContact O-N 3.4Å; T154-L159 HydrophobicContact CG2-CD2 4.35Å; T154-L159 HydrophobicContact CG2-CG 4.23Å; T154-A160 WeakPolarHBondContact OG1-CB 3.32Å; T154-G203 PolarHBondContact N-O 3.44Å; T154-G203 PolarHBondContact OG1-O 2.69Å
155	P	87.8	Confident	88.6	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.013	15%	0.146	C	C	.	.	S	Bend	trans	-69.1	-21	-175.6	28	-38.9	0	0	0	115.1	L159 D228 E229 R232 L233 M236	P155-L159 HydrophobicContact CG-CD2 4.36Å; P155-D228 WeakPolarHBondContact CD-O 3.07Å; P155-E229 HydrophobicContact CG-CB 4.05Å; P155-R232 HydrophobicContact CB-CB 3.94Å; P155-R232 HydrophobicContact CG-CB 3.84Å; P155-L233 HydrophobicContact CB-CD2 3.97Å; P155-L233 HydrophobicContact CB-CG 4.13Å; P155-M236 HydrophobicContact CB-SD 4.33Å
156	T	84.2	Confident	89.8	Confident	12 Å²	12	23.9 Å²	23.9	7%	0.074	12%	0.124	C	C	.	.	S	Bend	trans	-137.2	148.5	-170.8	54.9	0	0	0	0	112.5	T154 E158 L159 A160 M236 G382	T154-T156 VanDerWaalsContact C-N 3.31Å; T154-T156 PolarHBondContact O-N 3.4Å; T156-E158 VanDerWaalsContact C-N 3.26Å; T156-E158 PolarHBondContact O-N 2.95Å; T156-L159 PolarHBondContact O-N 3.4Å; T156-L159 VanDerWaalsContact OG1-CB 3.27Å; T156-L159 WeakPolarHBondContact OG1-CB 3.34Å; T156-L159 PolarHBondContact OG1-N 2.73Å; T156-A160 PolarHBondContact O-N 3.41Å; T156-A160 VanDerWaalsContact O-N 3.1Å; T156-M236 HydrophobicContact CG2-CE 4.22Å; T156-M236 HydrophobicContact CG2-SD 4.07Å; T156-G382 WeakPolarHBondContact OG1-CA 3.46Å
157	R	84.7	Confident	90.8	Very high	32 Å²	32	21 Å²	21	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-56.3	-42.2	177.8	-175.9	-179.9	163.6	68.1	3.4	111.8	A160 L161 L182 G183 D185	R157-A160 PolarHBondContact O-N 3.22Å; R157-L161 HydrophobicContact CG-CD1 4.32Å; R157-L161 WeakPolarHBondContact O-CG 3.4Å; R157-L161 PolarHBondContact O-N 3.4Å; R157-L161 VanDerWaalsContact O-N 3.13Å; R157-L182 HydrophobicContact CG-CB 4.31Å; R157-L182 HydrophobicContact CG-CD1 3.94Å; R157-L182 HydrophobicContact CG-CD2 4.43Å; R157-L182 HydrophobicContact CG-CG 4.46Å; R157-L182 VanDerWaalsContact NH1-CB 3.28Å; R157-G183 PolarHBondContact NH1-O 3.02Å; R157-D185 IonicContact CZ-OD1 3.21Å; R157-D185 IonicContact CZ-OD2 3.03Å; R157-D185 IonicContact NH1-OD1 3.58Å; R157-D185 PolarHBondContact NH1-OD1 2.81Å; R157-D185 IonicContact NH1-OD2 2.77Å; R157-D185 PolarHBondContact NH1-OD2 2.87Å; R157-D185 IonicContact NH2-OD1 3.83Å; R157-D185 PolarHBondContact NH2-OD1 2.91Å; R157-D185 IonicContact NH2-OD2 2.57Å; R157-D185 PolarHBondContact NH2-OD2 2.96Å
158	E	82.1	Confident	91.3	Very high	20 Å²	20	25.5 Å²	25.5	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-40.2	-178	-66.5	77.3	-171.7	0	0	112.1	T156 L161 Q162 Q355 R358 I383	T156-E158 VanDerWaalsContact C-N 3.26Å; T156-E158 PolarHBondContact O-N 2.95Å; E158-L161 PolarHBondContact O-N 2.85Å; E158-Q162 WeakPolarHBondContact O-CG 3.32Å; E158-Q162 PolarHBondContact O-N 3.26Å; E158-Q162 VanDerWaalsContact O-N 3.08Å; E158-Q162 PolarHBondContact O-NE2 3.5Å; E158-Q355 PolarHBondContact OE1-NE2 2.99Å; E158-R358 WeakPolarHBondContact OE1-CD 3.46Å; E158-R358 IonicContact OE1-CZ 2.66Å; E158-R358 IonicContact OE1-NE 3.39Å; E158-R358 IonicContact OE1-NH1 3.56Å; E158-R358 PolarHBondContact OE1-NH1 3.49Å; E158-R358 IonicContact OE2-NH1 3.31Å; E158-I383 HydrophobicContact CG-CG1 4.26Å
159	L	84.8	Confident	91.3	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-69.8	-37.9	176	-176.2	60.7	0	0	0	111.6	T154 P155 T156 L161 Q162 T163 E229	T154-L159 HydrophobicContact CG2-CD2 4.35Å; T154-L159 HydrophobicContact CG2-CG 4.23Å; P155-L159 HydrophobicContact CG-CD2 4.36Å; T156-L159 PolarHBondContact O-N 3.4Å; T156-L159 VanDerWaalsContact OG1-CB 3.27Å; T156-L159 WeakPolarHBondContact OG1-CB 3.34Å; T156-L159 PolarHBondContact OG1-N 2.73Å; L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 2.97Å; L159-Q162 WeakPolarHBondContact O-CB 3.2Å; L159-Q162 PolarHBondContact O-N 2.91Å; L159-T163 WeakPolarHBondContact O-CB 3.41Å; L159-T163 PolarHBondContact O-N 3.33Å; L159-T163 PolarHBondContact O-OG1 3.29Å; L159-T163 VanDerWaalsContact O-OG1 3.14Å; L159-E229 HydrophobicContact CD2-CB 4.3Å; L159-E229 HydrophobicContact CD2-CG 3.97Å
160	A	91.3	Very high	91.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-41.5	173.4	0	0	0	0	0	112.1	T154 T156 R157 T163 M164 L180 L182 I202	T154-A160 WeakPolarHBondContact OG1-CB 3.32Å; T156-A160 PolarHBondContact O-N 3.41Å; T156-A160 VanDerWaalsContact O-N 3.1Å; R157-A160 PolarHBondContact O-N 3.22Å; A160-T163 PolarHBondContact O-N 3.37Å; A160-M164 VanDerWaalsContact O-CB 3.26Å; A160-M164 WeakPolarHBondContact O-CB 3.28Å; A160-M164 PolarHBondContact O-N 2.9Å; A160-L180 HydrophobicContact CB-CD1 4.03Å; A160-L182 HydrophobicContact CB-CD1 4.1Å; A160-L182 HydrophobicContact CB-CD2 3.46Å; A160-L182 VanDerWaalsContact CB-CD2 3.46Å; A160-L182 HydrophobicContact CB-CG 4.27Å; A160-I202 HydrophobicContact CB-CG2 4.29Å
161	L	89.7	Confident	90.9	Very high	75 Å²	75	28.3 Å²	28.3	39%	0.393	13%	0.132	S	C	.	.	H	α-helix	trans	-65	-42.3	176.4	-78.6	161.5	0	0	0	112.1	R157 E158 L159 K165 L180 L182	R157-L161 HydrophobicContact CG-CD1 4.32Å; R157-L161 WeakPolarHBondContact O-CG 3.4Å; R157-L161 PolarHBondContact O-N 3.4Å; R157-L161 VanDerWaalsContact O-N 3.13Å; E158-L161 PolarHBondContact O-N 2.85Å; L159-L161 VanDerWaalsContact C-N 3.3Å; L159-L161 PolarHBondContact O-N 2.97Å; L161-K165 WeakPolarHBondContact O-CB 3.34Å; L161-K165 PolarHBondContact O-N 3.11Å; L161-L180 HydrophobicContact CD2-CD2 3.6Å; L161-L180 HydrophobicContact CG-CD2 4.27Å; L161-L182 HydrophobicContact CD2-CD1 4.49Å; L161-L182 HydrophobicContact CG-CD1 4.04Å
162	Q	87.3	Confident	90.6	Very high	60 Å²	60	35.1 Å²	35.1	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-59.6	-51.4	173	-70	154.8	54.1	0	0	111	E158 L159 M164 K165 F166 G382 D384	E158-Q162 WeakPolarHBondContact O-CG 3.32Å; E158-Q162 PolarHBondContact O-N 3.26Å; E158-Q162 VanDerWaalsContact O-N 3.08Å; E158-Q162 PolarHBondContact O-NE2 3.5Å; L159-Q162 WeakPolarHBondContact O-CB 3.2Å; L159-Q162 PolarHBondContact O-N 2.91Å; Q162-M164 PolarHBondContact O-N 3.33Å; Q162-K165 PolarHBondContact O-N 3Å; Q162-F166 WeakPolarHBondContact O-CB 2.89Å; Q162-F166 PolarHBondContact O-N 2.69Å; Q162-G382 PolarHBondContact NE2-O 2.74Å; Q162-D384 HydrophobicContact CG-CB 4.24Å
163	T	93.2	Very high	90.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-42	179.8	-62.6	0	0	0	0	111.4	T128 F131 I152 L159 A160 F166 T167 I202	T128-T163 HydrophobicContact CG2-CG2 4.04Å; F131-T163 HydrophobicContact CE2-CG2 4.44Å; I152-T163 HydrophobicContact CD1-CG2 4.44Å; I152-T163 HydrophobicContact CG2-CG2 4.25Å; L159-T163 WeakPolarHBondContact O-CB 3.41Å; L159-T163 PolarHBondContact O-N 3.33Å; L159-T163 PolarHBondContact O-OG1 3.29Å; L159-T163 VanDerWaalsContact O-OG1 3.14Å; A160-T163 PolarHBondContact O-N 3.37Å; T163-F166 PolarHBondContact O-N 3.08Å; T163-T167 VanDerWaalsContact O-CB 3.28Å; T163-T167 WeakPolarHBondContact O-CB 3.41Å; T163-T167 PolarHBondContact O-N 2.96Å; T163-T167 PolarHBondContact O-OG1 2.65Å; T163-I202 HydrophobicContact CG2-CD1 4.35Å; T163-I202 HydrophobicContact CG2-CG2 4.39Å
164	M	94.1	Very high	89.8	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-49.4	173.7	165.7	56.8	90.8	0	0	112.3	A160 Q162 F166 T167 K168 I178 L180 I202	A160-M164 VanDerWaalsContact O-CB 3.26Å; A160-M164 WeakPolarHBondContact O-CB 3.28Å; A160-M164 PolarHBondContact O-N 2.9Å; Q162-M164 PolarHBondContact O-N 3.33Å; M164-F166 VanDerWaalsContact C-N 3.33Å; M164-F166 PolarHBondContact O-N 2.8Å; M164-T167 PolarHBondContact O-N 3.3Å; M164-K168 HydrophobicContact CG-CD 4.47Å; M164-K168 PolarHBondContact O-N 3.34Å; M164-K168 HydrophobicContact SD-CD 3.6Å; M164-K168 WeakPolarHBondContact SD-CE 3.39Å; M164-K168 HydrophobicContact SD-CG 3.85Å; M164-I178 HydrophobicContact CE-CB 3.83Å; M164-I178 HydrophobicContact CE-CG2 3.4Å; M164-I178 VanDerWaalsContact CE-CG2 3.4Å; M164-I178 WeakPolarHBondContact CE-O 3.2Å; M164-I178 HydrophobicContact SD-CB 4.1Å; M164-I178 HydrophobicContact SD-CD1 4.46Å; M164-I178 HydrophobicContact SD-CG2 3.78Å; M164-L180 HydrophobicContact CB-CD1 4.06Å; M164-L180 HydrophobicContact CB-CD2 4.37Å; M164-L180 HydrophobicContact CE-CB 3.71Å; M164-L180 HydrophobicContact CG-CD2 4.22Å; M164-I202 HydrophobicContact CB-CD1 4.09Å
165	K	92.7	Very high	89.6	Confident	136 Å²	136	49.2 Å²	49.2	59%	0.591	22%	0.217	S	C	*	.	H	α-helix	trans	-58.1	-47.7	176.9	178	177.1	174.2	-179.6	0	110.7	L161 Q162 K168 E169	L161-K165 WeakPolarHBondContact O-CB 3.34Å; L161-K165 PolarHBondContact O-N 3.11Å; Q162-K165 PolarHBondContact O-N 3Å; K165-K168 PolarHBondContact O-N 2.79Å; K165-E169 WeakPolarHBondContact CE-OE1 3.21Å; K165-E169 WeakPolarHBondContact CG-OE1 3.22Å; K165-E169 WeakPolarHBondContact O-CG 3.34Å; K165-E169 PolarHBondContact O-N 3.37Å
166	F	92.4	Very high	89.8	Confident	30 Å²	30	49.9 Å²	49.9	13%	0.132	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-37.6	-179.1	-171.2	-98.2	0	0	0	112.7	K95 Y97 T128 A129 L132 Q162 T163 M164 E169 L170	K95-F166 HydrophobicContact CG-CE2 4.25Å; Y97-F166 AromaticContact CE2-CE2 3.83Å; Y97-F166 HydrophobicContact CE2-CE2 3.83Å; Y97-F166 AromaticContact CE2-CZ 3.62Å; Y97-F166 HydrophobicContact CE2-CZ 3.62Å; Y97-F166 AromaticContact CZ-CZ 3.9Å; Y97-F166 VanDerWaalsContact OH-CE2 3.32Å; Y97-F166 WeakPolarHBondContact OH-CE2 3.46Å; Y97-F166 WeakPolarHBondContact OH-CZ 3.44Å; T128-F166 HydrophobicContact CG2-CD1 3.71Å; T128-F166 HydrophobicContact CG2-CE1 4.22Å; T128-F166 HydrophobicContact CG2-CG 4.48Å; A129-F166 HydrophobicContact CB-CE1 3.93Å; A129-F166 HydrophobicContact CB-CZ 3.97Å; L132-F166 HydrophobicContact CD1-CD1 3.59Å; L132-F166 HydrophobicContact CD1-CE1 4.03Å; Q162-F166 WeakPolarHBondContact O-CB 2.89Å; Q162-F166 PolarHBondContact O-N 2.69Å; T163-F166 PolarHBondContact O-N 3.08Å; M164-F166 VanDerWaalsContact C-N 3.33Å; M164-F166 PolarHBondContact O-N 2.8Å; F166-E169 PolarHBondContact O-N 3.38Å; F166-L170 HydrophobicContact CE1-CD2 3.89Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 VanDerWaalsContact O-CB 3.22Å; F166-L170 WeakPolarHBondContact O-CB 3.38Å; F166-L170 PolarHBondContact O-N 3.03Å
167	T	94.8	Very high	90.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-43.3	173.5	-54.5	0	0	0	0	111.1	L132 M135 F136 T163 M164 G171 I178 I200 I202	L132-T167 WeakPolarHBondContact CD1-OG1 3.42Å; L132-T167 HydrophobicContact CD2-CG2 4.05Å; M135-T167 HydrophobicContact CE-CG2 4.44Å; F136-T167 HydrophobicContact CE1-CG2 3.89Å; F136-T167 HydrophobicContact CZ-CG2 3.62Å; T163-T167 VanDerWaalsContact O-CB 3.28Å; T163-T167 WeakPolarHBondContact O-CB 3.41Å; T163-T167 PolarHBondContact O-N 2.96Å; T163-T167 PolarHBondContact O-OG1 2.65Å; M164-T167 PolarHBondContact O-N 3.3Å; T167-G171 WeakPolarHBondContact O-CA 3.43Å; T167-G171 PolarHBondContact O-N 2.66Å; T167-I178 HydrophobicContact CG2-CD1 3.53Å; T167-I178 HydrophobicContact CG2-CG1 4.24Å; T167-I200 HydrophobicContact CG2-CD1 4.46Å; T167-I202 HydrophobicContact CG2-CD1 4.44Å
168	K	93	Very high	90.6	Very high	121 Å²	121	54 Å²	54	53%	0.526	24%	0.24	S	C	.	.	H	α-helix	trans	-65.3	-37.2	175.5	-79.7	179.1	169.5	170.1	0	113.3	M164 K165 K172 I178	M164-K168 HydrophobicContact CG-CD 4.47Å; M164-K168 PolarHBondContact O-N 3.34Å; M164-K168 HydrophobicContact SD-CD 3.6Å; M164-K168 WeakPolarHBondContact SD-CE 3.39Å; M164-K168 HydrophobicContact SD-CG 3.85Å; K165-K168 PolarHBondContact O-N 2.79Å; K168-K172 PolarHBondContact O-N 2.7Å; K168-I178 HydrophobicContact CG-CD1 3.66Å
169	E	91.6	Very high	91.2	Very high	71 Å²	71	53.2 Å²	53.2	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-72.7	-46.7	177.9	-73.2	173.6	-170.8	0	0	112.3	K95 K165 F166 K172	K95-E169 HydrophobicContact CD-CB 4.46Å; K95-E169 WeakPolarHBondContact CE-OE2 3.41Å; K95-E169 IonicContact NZ-OE2 2.62Å; K95-E169 PolarHBondContact NZ-OE2 3.02Å; K165-E169 WeakPolarHBondContact CE-OE1 3.21Å; K165-E169 WeakPolarHBondContact CG-OE1 3.22Å; K165-E169 WeakPolarHBondContact O-CG 3.34Å; K165-E169 PolarHBondContact O-N 3.37Å; F166-E169 PolarHBondContact O-N 3.38Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å
170	L	91.4	Very high	91.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-73.7	-42.1	-178.1	-171.6	67.9	0	0	0	111.9	G91 V92 K95 A129 L132 V133 F136 F166 K172	G91-L170 WeakPolarHBondContact CA-O 3.5Å; V92-L170 HydrophobicContact CB-CD1 4.4Å; V92-L170 HydrophobicContact CG2-CD1 3.94Å; K95-L170 HydrophobicContact CB-CD1 4.26Å; A129-L170 HydrophobicContact CB-CD2 4.42Å; L132-L170 HydrophobicContact CB-CD2 4Å; L132-L170 HydrophobicContact CD1-CD2 4.43Å; V133-L170 HydrophobicContact CG2-CD2 4.08Å; F136-L170 HydrophobicContact CE2-CB 4.07Å; F136-L170 HydrophobicContact CE2-CD2 3.97Å; F136-L170 HydrophobicContact CE2-CG 3.92Å; F166-L170 HydrophobicContact CE1-CD2 3.89Å; F166-L170 HydrophobicContact CZ-CD2 4.41Å; F166-L170 VanDerWaalsContact O-CB 3.22Å; F166-L170 WeakPolarHBondContact O-CB 3.38Å; F166-L170 PolarHBondContact O-N 3.03Å; L170-K172 VanDerWaalsContact C-N 3.25Å; L170-K172 PolarHBondContact O-N 2.82Å
171	G	90.9	Very high	91.9	Very high	7 Å²	7	54.4 Å²	54.4	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.5	-179.8	0	0	0	0	0	114.8	F136 T167 F173 T174	F136-G171 VanDerWaalsContact CZ-CA 3.48Å; T167-G171 WeakPolarHBondContact O-CA 3.43Å; T167-G171 PolarHBondContact O-N 2.66Å; G171-F173 PolarHBondContact O-N 2.99Å; G171-T174 WeakPolarHBondContact O-CB 3.31Å; G171-T174 PolarHBondContact O-N 3.06Å; G171-T174 PolarHBondContact O-OG1 3.18Å
172	K	89.9	Confident	92	Very high	146 Å²	146	50.8 Å²	50.8	64%	0.635	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-25.4	-168.3	-178.7	162.6	-178	160	0	115.7	K168 E169 L170	K168-K172 PolarHBondContact O-N 2.7Å; E169-K172 WeakPolarHBondContact O-CB 3.49Å; L170-K172 VanDerWaalsContact C-N 3.25Å; L170-K172 PolarHBondContact O-N 2.82Å
173	F	89.3	Confident	91.9	Very high	66 Å²	66	48.2 Å²	48.2	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.1	-179.9	-57.2	-73.9	0	0	0	114.5	P87 K90 K94 G171	P87-F173 HydrophobicContact CB-CB 3.98Å; K90-F173 HydrophobicContact CB-CD2 4.02Å; K90-F173 HydrophobicContact CB-CE2 4.18Å; K90-F173 HydrophobicContact CD-CD1 4.19Å; K90-F173 HydrophobicContact CD-CD2 4.28Å; K90-F173 HydrophobicContact CD-CE1 4.11Å; K90-F173 HydrophobicContact CD-CE2 4.21Å; K90-F173 HydrophobicContact CD-CG 4.26Å; K90-F173 HydrophobicContact CD-CZ 4.12Å; K90-F173 HydrophobicContact CG-CD2 3.95Å; K90-F173 HydrophobicContact CG-CE1 4.45Å; K90-F173 HydrophobicContact CG-CE2 3.69Å; K90-F173 HydrophobicContact CG-CG 4.43Å; K90-F173 HydrophobicContact CG-CZ 3.96Å; K94-F173 HydrophobicContact CB-CE2 4.3Å; K94-F173 HydrophobicContact CD-CE2 4.15Å; K94-F173 HydrophobicContact CD-CZ 3.84Å; G171-F173 PolarHBondContact O-N 2.99Å
174	T	87.6	Confident	91.2	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.049	25%	0.249	C	C	.	.	S	Bend	trans	-80.8	-15.6	-175.2	65.9	0	0	0	0	114.4	V88 F136 G171 L176	V88-T174 HydrophobicContact CG2-CG2 4.36Å; F136-T174 HydrophobicContact CB-CG2 4.16Å; F136-T174 HydrophobicContact CD1-CG2 4.38Å; F136-T174 HydrophobicContact CG-CG2 4.21Å; G171-T174 WeakPolarHBondContact O-CB 3.31Å; G171-T174 PolarHBondContact O-N 3.06Å; G171-T174 PolarHBondContact O-OG1 3.18Å; T174-L176 HydrophobicContact CG2-CD1 4.38Å; T174-L176 PolarHBondContact O-N 3.3Å; T174-L176 VanDerWaalsContact O-N 3.09Å; T174-L176 PolarHBondContact OG1-N 3.09Å
175	R	89	Confident	90.7	Very high	221 Å²	221	53.7 Å²	53.7	83%	0.834	26%	0.261	S	S	*	.			trans	61.1	2.6	-171.5	-51.3	178.6	-178.6	170.6	1.3	115.7	P142	P142-R175 HydrophobicContact CG-CB 4.06Å; P142-R175 VanDerWaalsContact CG-O 3.26Å; P142-R175 WeakPolarHBondContact CG-O 3.32Å
176	L	91.5	Very high	90.4	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.084	25%	0.248	C	C	.	.			trans	-61.5	135.9	-179.5	-65.4	167.3	0	0	0	112.2	F136 L139 P142 T174 D199 I200	F136-L176 HydrophobicContact CD1-CD1 3.75Å; F136-L176 HydrophobicContact CE1-CD1 4.35Å; L139-L176 HydrophobicContact CB-CD1 3.87Å; L139-L176 HydrophobicContact CB-CD2 4.11Å; L139-L176 HydrophobicContact CD1-CD1 4.04Å; P142-L176 HydrophobicContact CG-CD2 4.49Å; T174-L176 HydrophobicContact CG2-CD1 4.38Å; T174-L176 PolarHBondContact O-N 3.3Å; T174-L176 VanDerWaalsContact O-N 3.09Å; T174-L176 PolarHBondContact OG1-N 3.09Å; L176-D199 HydrophobicContact CB-CB 4.38Å; L176-D199 HydrophobicContact CD2-CB 3.91Å; L176-I200 HydrophobicContact CB-CD1 4.14Å; L176-I200 HydrophobicContact CD1-CD1 4.24Å
177	K	92.1	Very high	90.2	Very high	101 Å²	101	49.7 Å²	49.7	44%	0.439	25%	0.25	S	S	.	.			trans	-84.2	143.2	175.8	-70.3	173.4	174.3	176.7	0	111.1	E196 N197 P198 D199 I200	K177-E196 PolarHBondContact NZ-O 3.24Å; K177-N197 WeakPolarHBondContact CD-O 3.41Å; K177-P198 HydrophobicContact CB-CB 4.37Å; K177-D199 PolarHBondContact N-OD2 2.85Å; K177-D199 PolarHBondContact O-N 3.32Å; K177-I200 PolarHBondContact O-N 3.3Å
178	I	94.3	Very high	89.8	Confident	30 Å²	30	52.8 Å²	52.8	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.2	-175.6	-43.1	156.8	0	0	0	109.3	M164 T167 K168 I200 I202	M164-I178 HydrophobicContact CE-CB 3.83Å; M164-I178 HydrophobicContact CE-CG2 3.4Å; M164-I178 VanDerWaalsContact CE-CG2 3.4Å; M164-I178 WeakPolarHBondContact CE-O 3.2Å; M164-I178 HydrophobicContact SD-CB 4.1Å; M164-I178 HydrophobicContact SD-CD1 4.46Å; M164-I178 HydrophobicContact SD-CG2 3.78Å; T167-I178 HydrophobicContact CG2-CD1 3.53Å; T167-I178 HydrophobicContact CG2-CG1 4.24Å; K168-I178 HydrophobicContact CG-CD1 3.66Å; I178-I200 CarbonylContact C-O 3.57Å; I178-I200 VanDerWaalsContact CA-O 3.32Å; I178-I200 WeakPolarHBondContact CA-O 3.34Å; I178-I200 HydrophobicContact CB-CB 4.49Å; I178-I200 HydrophobicContact CG1-CB 4.34Å; I178-I200 HydrophobicContact CG1-CD1 4.04Å; I178-I200 HydrophobicContact CG2-CB 4.07Å; I178-I200 HydrophobicContact CG2-CG2 4.05Å; I178-I202 HydrophobicContact CG2-CD1 3.58Å; I178-I202 HydrophobicContact CG2-CG1 3.93Å
179	A	94.9	Very high	89.6	Confident	4 Å²	4	52 Å²	52	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.1	172	0	0	0	0	0	111.9	A193 L194 P198 I200 I202	A179-A193 HydrophobicContact CB-CB 4.38Å; A179-L194 HydrophobicContact CB-CD2 4.47Å; A179-P198 HydrophobicContact CB-CB 3.73Å; A179-P198 HydrophobicContact CB-CG 3.63Å; A179-I200 PolarHBondContact N-O 3.47Å; A179-I202 PolarHBondContact O-N 3.38Å
180	L	95.4	Very high	89.6	Confident	35 Å²	35	48.9 Å²	48.9	18%	0.183	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.5	-179.3	-171.5	60.7	0	0	0	110.1	A160 L161 M164 L182 I202	A160-L180 HydrophobicContact CB-CD1 4.03Å; L161-L180 HydrophobicContact CD2-CD2 3.6Å; L161-L180 HydrophobicContact CG-CD2 4.27Å; M164-L180 HydrophobicContact CB-CD1 4.06Å; M164-L180 HydrophobicContact CB-CD2 4.37Å; M164-L180 HydrophobicContact CE-CB 3.71Å; M164-L180 HydrophobicContact CG-CD2 4.22Å; L180-L182 HydrophobicContact CD1-CD1 3.75Å; L180-L182 HydrophobicContact CD1-CG 4.03Å; L180-L182 HydrophobicContact CD2-CD1 3.64Å; L180-L182 HydrophobicContact CG-CD1 3.52Å; L180-L182 HydrophobicContact CG-CG 3.91Å; L180-I202 CarbonylContact C-O 3.58Å; L180-I202 WeakPolarHBondContact CA-O 3.42Å; L180-I202 HydrophobicContact CD1-CB 4.14Å; L180-I202 HydrophobicContact CD1-CG2 4.13Å
181	I	95.1	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	102.3	-171.1	-54.8	-62.4	0	0	0	109.8	Q190 L194 I201 I202 G203 T204 R207 L208 V211	I181-Q190 HydrophobicContact CD1-CB 4.01Å; I181-Q190 HydrophobicContact CD1-CG 4.09Å; I181-L194 HydrophobicContact CD1-CD1 3.8Å; I181-L194 HydrophobicContact CD1-CD2 4.35Å; I181-L194 HydrophobicContact CD1-CG 3.97Å; I181-I201 HydrophobicContact CG1-CG2 4.03Å; I181-I202 PolarHBondContact N-O 2.98Å; I181-G203 WeakPolarHBondContact O-CA 3.47Å; I181-T204 PolarHBondContact O-N 3.45Å; I181-T204 VanDerWaalsContact O-N 3.15Å; I181-R207 HydrophobicContact CG2-CB 4.43Å; I181-R207 HydrophobicContact CG2-CG 3.8Å; I181-L208 HydrophobicContact CB-CD1 4.3Å; I181-L208 HydrophobicContact CG1-CD1 4.33Å; I181-L208 HydrophobicContact CG2-CB 4.21Å; I181-L208 HydrophobicContact CG2-CD1 4.04Å; I181-V211 HydrophobicContact CG2-CB 4.31Å; I181-V211 HydrophobicContact CG2-CG2 3.95Å
182	L	91.9	Very high	89.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.			trans	-140.7	149.4	-166.7	-65.8	176	0	0	0	113.2	R157 A160 L161 L180 Q190 T204 R207	R157-L182 HydrophobicContact CG-CB 4.31Å; R157-L182 HydrophobicContact CG-CD1 3.94Å; R157-L182 HydrophobicContact CG-CD2 4.43Å; R157-L182 HydrophobicContact CG-CG 4.46Å; R157-L182 VanDerWaalsContact NH1-CB 3.28Å; A160-L182 HydrophobicContact CB-CD1 4.1Å; A160-L182 HydrophobicContact CB-CD2 3.46Å; A160-L182 VanDerWaalsContact CB-CD2 3.46Å; A160-L182 HydrophobicContact CB-CG 4.27Å; L161-L182 HydrophobicContact CD2-CD1 4.49Å; L161-L182 HydrophobicContact CG-CD1 4.04Å; L180-L182 HydrophobicContact CD1-CD1 3.75Å; L180-L182 HydrophobicContact CD1-CG 4.03Å; L180-L182 HydrophobicContact CD2-CD1 3.64Å; L180-L182 HydrophobicContact CG-CD1 3.52Å; L180-L182 HydrophobicContact CG-CG 3.91Å; L182-Q190 VanDerWaalsContact N-NE2 3.16Å; L182-Q190 PolarHBondContact O-NE2 2.82Å; L182-T204 HydrophobicContact CD2-CG2 3.73Å; L182-R207 WeakPolarHBondContact O-CG 3.36Å; L182-R207 VanDerWaalsContact O-CZ 3.28Å; L182-R207 PolarHBondContact O-NH1 2.87Å
183	G	84.3	Confident	89.5	Confident	5 Å²	5	44.9 Å²	44.9	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	-65.8	168.8	168.2	0	0	0	0	0	112.5	R157 D185 E730	R157-G183 PolarHBondContact NH1-O 3.02Å; G183-D185 PolarHBondContact O-N 2.87Å; G183-E730 WeakPolarHBondContact CA-OE1 3.41Å; G183-E730 WeakPolarHBondContact CA-OE2 3.11Å; G183-E730 PolarHBondContact N-OE1 3.16Å; G183-E730 VanDerWaalsContact N-OE1 3.09Å; G183-E730 PolarHBondContact N-OE2 2.93Å
184	G	79.8	Confident	89.6	Confident	74 Å²	74	42.3 Å²	42.3	76%	0.763	23%	0.234	S	C	*	.	S	Bend	trans	76.1	-40.2	-171.6	0	0	0	0	0	114.4
185	D	83.9	Confident	89.6	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	24%	0.243	S	C	.	.	S	Bend	trans	-74.5	158.8	-179.1	-59.4	-36.5	0	0	0	113	R157 G183 R207	R157-D185 IonicContact CZ-OD1 3.21Å; R157-D185 IonicContact CZ-OD2 3.03Å; R157-D185 IonicContact NH1-OD1 3.58Å; R157-D185 PolarHBondContact NH1-OD1 2.81Å; R157-D185 IonicContact NH1-OD2 2.77Å; R157-D185 PolarHBondContact NH1-OD2 2.87Å; R157-D185 IonicContact NH2-OD1 3.83Å; R157-D185 PolarHBondContact NH2-OD1 2.91Å; R157-D185 IonicContact NH2-OD2 2.57Å; R157-D185 PolarHBondContact NH2-OD2 2.96Å; G183-D185 PolarHBondContact O-N 2.87Å; D185-R207 PolarHBondContact O-NH1 3.13Å; D185-R207 PolarHBondContact O-NH2 3Å
186	S	86	Confident	89.5	Confident	48 Å²	48	40.1 Å²	40.1	34%	0.336	23%	0.233	S	C	.	.			trans	-54.1	135.9	172.9	172.5	0	0	0	0	112.2	E188 D189 Q190	S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact OG-N 2.8Å; S186-E188 VanDerWaalsContact OG-N 3.15Å; S186-D189 WeakPolarHBondContact CB-OD1 3.41Å; S186-D189 WeakPolarHBondContact CB-OD2 3.34Å; S186-D189 PolarHBondContact OG-N 2.96Å; S186-D189 PolarHBondContact OG-OD1 2.84Å; S186-Q190 WeakPolarHBondContact O-CG 3.35Å
187	M	86.9	Confident	89.4	Confident	34 Å²	34	43 Å²	43	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-31.5	170.1	-70.5	-69.9	-61.7	0	0	111.5	D189 Q190 F191 R207 H210 V211	M187-D189 VanDerWaalsContact C-N 3.33Å; M187-D189 PolarHBondContact O-N 3.09Å; M187-Q190 PolarHBondContact O-N 2.88Å; M187-F191 HydrophobicContact CB-CE2 4.18Å; M187-F191 HydrophobicContact CB-CZ 4.24Å; M187-F191 HydrophobicContact CE-CE1 3.62Å; M187-F191 HydrophobicContact CE-CZ 3.56Å; M187-F191 VanDerWaalsContact O-CD2 3.29Å; M187-F191 WeakPolarHBondContact O-CD2 3.43Å; M187-F191 WeakPolarHBondContact O-CG 3.38Å; M187-F191 PolarHBondContact O-N 3.18Å; M187-R207 PolarHBondContact SD-NH1 3.27Å; M187-H210 VanDerWaalsContact CE-ND1 3.31Å; M187-H210 WeakPolarHBondContact CE-ND1 3.27Å; M187-H210 PolarHBondContact SD-ND1 2.91Å; M187-H210 VanDerWaalsContact SD-ND1 3.43Å; M187-V211 HydrophobicContact CE-CG2 3.81Å; M187-V211 HydrophobicContact SD-CG2 4.11Å
188	E	87.7	Confident	89.4	Confident	64 Å²	64	38.5 Å²	38.5	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-39.6	-179.5	-58.4	-158.2	169.4	0	0	111.6	S186 Q190 F191 A192 W747 K750 Y751	S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact OG-N 2.8Å; S186-E188 VanDerWaalsContact OG-N 3.15Å; E188-Q190 VanDerWaalsContact C-N 3.32Å; E188-F191 PolarHBondContact O-N 2.97Å; E188-A192 PolarHBondContact O-N 2.86Å; E188-W747 PolarHBondContact O-NE1 3.32Å; E188-K750 IonicContact OE1-NZ 3.98Å; E188-K750 PolarHBondContact OE1-NZ 2.65Å; E188-K750 IonicContact OE2-NZ 3.78Å; E188-K750 PolarHBondContact OE2-NZ 3.49Å; E188-Y751 WeakPolarHBondContact OE2-CE2 3.43Å; E188-Y751 PolarHBondContact OE2-OH 2.9Å; E188-Y751 VanDerWaalsContact OE2-OH 3.09Å
189	D	88.8	Confident	89.4	Confident	104 Å²	104	37.6 Å²	37.6	56%	0.556	23%	0.225	S	C	*	.	H	α-helix	trans	-71	-32.4	-179.8	-50.9	6.6	0	0	0	110.7	S186 M187 A192 A193	S186-D189 WeakPolarHBondContact CB-OD1 3.41Å; S186-D189 WeakPolarHBondContact CB-OD2 3.34Å; S186-D189 PolarHBondContact OG-N 2.96Å; S186-D189 PolarHBondContact OG-OD1 2.84Å; M187-D189 VanDerWaalsContact C-N 3.33Å; M187-D189 PolarHBondContact O-N 3.09Å; D189-A192 PolarHBondContact O-N 2.84Å; D189-A193 WeakPolarHBondContact O-CB 3.44Å; D189-A193 PolarHBondContact O-N 3.02Å
190	Q	90.8	Very high	89.4	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-75.3	-36.3	176.3	-70.8	176.9	3.8	0	0	112.2	I181 L182 S186 M187 E188 L194 R207	I181-Q190 HydrophobicContact CD1-CB 4.01Å; I181-Q190 HydrophobicContact CD1-CG 4.09Å; L182-Q190 VanDerWaalsContact N-NE2 3.16Å; L182-Q190 PolarHBondContact O-NE2 2.82Å; S186-Q190 WeakPolarHBondContact O-CG 3.35Å; M187-Q190 PolarHBondContact O-N 2.88Å; E188-Q190 VanDerWaalsContact C-N 3.32Å; Q190-L194 WeakPolarHBondContact O-CG 3.17Å; Q190-L194 PolarHBondContact O-N 3.45Å; Q190-L194 VanDerWaalsContact O-N 3.15Å; Q190-R207 VanDerWaalsContact OE1-CG 3.3Å
191	F	90.6	Very high	89.5	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-43.1	169	-60.7	-28.7	0	0	0	111	M187 E188 L194 H195 V211 D214 M215 F743 Y744 W747	M187-F191 HydrophobicContact CB-CE2 4.18Å; M187-F191 HydrophobicContact CB-CZ 4.24Å; M187-F191 HydrophobicContact CE-CE1 3.62Å; M187-F191 HydrophobicContact CE-CZ 3.56Å; M187-F191 VanDerWaalsContact O-CD2 3.29Å; M187-F191 WeakPolarHBondContact O-CD2 3.43Å; M187-F191 WeakPolarHBondContact O-CG 3.38Å; M187-F191 PolarHBondContact O-N 3.18Å; E188-F191 PolarHBondContact O-N 2.97Å; F191-L194 PolarHBondContact O-N 3.03Å; F191-H195 PolarHBondContact O-CD2 3.12Å; F191-H195 PolarHBondContact O-N 2.86Å; F191-V211 HydrophobicContact CD1-CG1 4.45Å; F191-V211 HydrophobicContact CE1-CG1 4.44Å; F191-D214 HydrophobicContact CE1-CB 4.35Å; F191-D214 HydrophobicContact CZ-CB 4.27Å; F191-M215 HydrophobicContact CD1-CG 3.56Å; F191-M215 HydrophobicContact CD1-SD 3.67Å; F191-M215 HydrophobicContact CE1-CG 3.67Å; F191-M215 HydrophobicContact CE1-SD 4.3Å; F191-F743 HydrophobicContact CE2-CB 4.29Å; F191-F743 HydrophobicContact CZ-CB 4.48Å; F191-Y744 HydrophobicContact CB-CD2 4.38Å; F191-Y744 HydrophobicContact CD1-CD2 4.11Å; F191-Y744 HydrophobicContact CD2-CD2 4.18Å; F191-Y744 HydrophobicContact CE1-CD2 4.41Å; F191-Y744 HydrophobicContact CE2-CD2 4.49Å; F191-Y744 AromaticContact CG-CD2 3.98Å; F191-Y744 HydrophobicContact CG-CD2 3.98Å; F191-W747 HydrophobicContact CB-CD2 3.86Å; F191-W747 HydrophobicContact CB-CE3 4.05Å; F191-W747 HydrophobicContact CB-CG 4.42Å; F191-W747 HydrophobicContact CB-CH2 4.27Å; F191-W747 HydrophobicContact CB-CZ2 4.06Å; F191-W747 HydrophobicContact CB-CZ3 4.26Å; F191-W747 HydrophobicContact CD2-CB 3.97Å; F191-W747 HydrophobicContact CD2-CD2 4.08Å; F191-W747 AromaticContact CD2-CG 3.78Å; F191-W747 HydrophobicContact CD2-CG 3.78Å; F191-W747 HydrophobicContact CE2-CB 4.4Å; F191-W747 HydrophobicContact CG-CD2 4.45Å
192	A	89.8	Confident	89.6	Confident	39 Å²	39	35.9 Å²	35.9	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-52.3	174.7	0	0	0	0	0	112.2	E188 D189 L194 H195 E196 W747	E188-A192 PolarHBondContact O-N 2.86Å; D189-A192 PolarHBondContact O-N 2.84Å; A192-L194 PolarHBondContact O-N 3.15Å; A192-H195 PolarHBondContact O-N 2.93Å; A192-E196 PolarHBondContact O-N 3.14Å; A192-E196 VanDerWaalsContact O-N 3.12Å; A192-W747 HydrophobicContact CB-CZ2 3.95Å
193	A	90.5	Very high	89.7	Confident	30 Å²	30	35.9 Å²	35.9	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-25.1	-177.9	0	0	0	0	0	114.2	A179 D189	A179-A193 HydrophobicContact CB-CB 4.38Å; D189-A193 WeakPolarHBondContact O-CB 3.44Å; D189-A193 PolarHBondContact O-N 3.02Å
194	L	90.5	Very high	90.2	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-84	-34.4	172.6	-72.7	167.6	0	0	0	112.4	A179 I181 Q190 F191 A192 E196 N197 P198 I201 V211 M215 L217	A179-L194 HydrophobicContact CB-CD2 4.47Å; I181-L194 HydrophobicContact CD1-CD1 3.8Å; I181-L194 HydrophobicContact CD1-CD2 4.35Å; I181-L194 HydrophobicContact CD1-CG 3.97Å; Q190-L194 WeakPolarHBondContact O-CG 3.17Å; Q190-L194 PolarHBondContact O-N 3.45Å; Q190-L194 VanDerWaalsContact O-N 3.15Å; F191-L194 PolarHBondContact O-N 3.03Å; A192-L194 PolarHBondContact O-N 3.15Å; L194-E196 PolarHBondContact O-N 3.14Å; L194-N197 PolarHBondContact O-N 3.29Å; L194-P198 HydrophobicContact CD2-CG 4.05Å; L194-P198 WeakPolarHBondContact O-CD 3.25Å; L194-I201 HydrophobicContact CD2-CD1 3.68Å; L194-I201 HydrophobicContact CD2-CG1 4.1Å; L194-V211 HydrophobicContact CD1-CG1 3.35Å; L194-M215 HydrophobicContact CB-CE 3.89Å; L194-M215 HydrophobicContact CB-SD 4.04Å; L194-M215 HydrophobicContact CD1-CE 4.42Å; L194-M215 HydrophobicContact CD1-SD 3.47Å; L194-M215 WeakPolarHBondContact CD1-SD 3.34Å; L194-M215 HydrophobicContact CG-SD 4.41Å; L194-L217 HydrophobicContact CD1-CD2 4.26Å; L194-L217 HydrophobicContact CD2-CD2 4.31Å
195	H	87.8	Confident	90.9	Very high	51 Å²	51	32.2 Å²	32.2	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-21.3	172.2	-93.8	-72.1	0	0	0	113.7	F191 A192 N197 Y744 W747	F191-H195 PolarHBondContact O-CD2 3.12Å; F191-H195 PolarHBondContact O-N 2.86Å; A192-H195 PolarHBondContact O-N 2.93Å; H195-N197 PolarHBondContact O-N 2.93Å; H195-N197 VanDerWaalsContact O-N 3.14Å; H195-Y744 AromaticContact NE2-CE2 3.4Å; H195-Y744 WeakPolarHBondContact NE2-CE2 3.45Å; H195-Y744 AromaticContact NE2-CZ 3.69Å; H195-Y744 PolarHBondContact NE2-OH 2.75Å; H195-W747 AromaticContact CD2-CH2 3.53Å; H195-W747 AromaticContact CD2-CZ3 3.3Å; H195-W747 WeakPolarHBondContact CD2-CZ3 3.16Å; H195-W747 AromaticContact NE2-CZ3 3.57Å
196	E	87.5	Confident	91.2	Very high	132 Å²	132	29.7 Å²	29.7	62%	0.617	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.3	169.8	-70.4	-170.4	-177.6	0	0	113.9	K177 A192 L194	K177-E196 PolarHBondContact NZ-O 3.24Å; A192-E196 PolarHBondContact O-N 3.14Å; A192-E196 VanDerWaalsContact O-N 3.12Å; L194-E196 PolarHBondContact O-N 3.14Å
197	N	88.6	Confident	91.4	Very high	75 Å²	75	29.2 Å²	29.2	40%	0.401	16%	0.155	S	C	.	.			trans	54.9	76.4	-172.5	-71.3	-70.9	0	0	0	112.3	K177 L194 H195	K177-N197 WeakPolarHBondContact CD-O 3.41Å; L194-N197 PolarHBondContact O-N 3.29Å; H195-N197 PolarHBondContact O-N 2.93Å; H195-N197 VanDerWaalsContact O-N 3.14Å
198	P	92.5	Very high	91.8	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.052	15%	0.147	C	C	.	.			trans	-78.1	139.2	177.2	32.2	-35.3	0	0	0	112.3	A148 K177 A179 L194 I201	A148-P198 VanDerWaalsContact CA-O 3.27Å; A148-P198 WeakPolarHBondContact CA-O 3.47Å; A148-P198 WeakPolarHBondContact CB-O 3.37Å; K177-P198 HydrophobicContact CB-CB 4.37Å; A179-P198 HydrophobicContact CB-CB 3.73Å; A179-P198 HydrophobicContact CB-CG 3.63Å; L194-P198 HydrophobicContact CD2-CG 4.05Å; L194-P198 WeakPolarHBondContact O-CD 3.25Å; P198-I201 HydrophobicContact CG-CG1 4.36Å
199	D	93.6	Very high	91.9	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.053	14%	0.135	C	C	.	.	S	Bend	trans	-68.2	-36.3	172.7	-62.1	-86.1	0	0	0	112.1	R149 A150 L176 K177	R149-D199 IonicContact CZ-OD1 3.99Å; R149-D199 PolarHBondContact N-O 3.09Å; R149-D199 IonicContact NE-OD1 3.37Å; R149-D199 PolarHBondContact NE-OD1 3.24Å; R149-D199 IonicContact NH2-OD1 2.91Å; R149-D199 PolarHBondContact NH2-OD1 2.98Å; A150-D199 PolarHBondContact N-O 2.91Å; A150-D199 VanDerWaalsContact N-O 3.08Å; L176-D199 HydrophobicContact CB-CB 4.38Å; L176-D199 HydrophobicContact CD2-CB 3.91Å; K177-D199 PolarHBondContact N-OD2 2.85Å; K177-D199 PolarHBondContact O-N 3.32Å
200	I	95.5	Very high	92	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.6	-172.5	-57.8	155.3	0	0	0	109.5	M135 F136 L139 A150 I152 T167 L176 K177 I178 A179 I202	M135-I200 HydrophobicContact CE-CD1 3.56Å; M135-I200 HydrophobicContact CE-CG1 4.04Å; M135-I200 HydrophobicContact CE-CG2 4.26Å; M135-I200 HydrophobicContact SD-CG1 4.48Å; M135-I200 HydrophobicContact SD-CG2 4.42Å; F136-I200 HydrophobicContact CE1-CD1 4.04Å; L139-I200 HydrophobicContact CD1-CD1 3.93Å; L139-I200 HydrophobicContact CD1-CG1 3.64Å; A150-I200 HydrophobicContact CB-CG1 4.23Å; A150-I200 WeakPolarHBondContact O-CA 3.49Å; I152-I200 HydrophobicContact CD1-CG2 4.4Å; T167-I200 HydrophobicContact CG2-CD1 4.46Å; L176-I200 HydrophobicContact CB-CD1 4.14Å; L176-I200 HydrophobicContact CD1-CD1 4.24Å; K177-I200 PolarHBondContact O-N 3.3Å; I178-I200 CarbonylContact C-O 3.57Å; I178-I200 VanDerWaalsContact CA-O 3.32Å; I178-I200 WeakPolarHBondContact CA-O 3.34Å; I178-I200 HydrophobicContact CB-CB 4.49Å; I178-I200 HydrophobicContact CG1-CB 4.34Å; I178-I200 HydrophobicContact CG1-CD1 4.04Å; I178-I200 HydrophobicContact CG2-CB 4.07Å; I178-I200 HydrophobicContact CG2-CG2 4.05Å; A179-I200 PolarHBondContact N-O 3.47Å; I200-I202 HydrophobicContact CG2-CG1 4.11Å
201	I	96.6	Very high	92	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	169.7	-66.6	172.3	0	0	0	109.2	A148 A150 L151 I152 I181 L194 P198 L208 L217	A148-I201 HydrophobicContact CB-CD1 3.55Å; A148-I201 HydrophobicContact CB-CG1 3.7Å; A150-I201 PolarHBondContact O-N 3.44Å; L151-I201 WeakPolarHBondContact CA-O 3.4Å; L151-I201 HydrophobicContact CD1-CB 4.04Å; L151-I201 HydrophobicContact CD1-CG2 3.82Å; I152-I201 PolarHBondContact N-O 2.88Å; I181-I201 HydrophobicContact CG1-CG2 4.03Å; L194-I201 HydrophobicContact CD2-CD1 3.68Å; L194-I201 HydrophobicContact CD2-CG1 4.1Å; P198-I201 HydrophobicContact CG-CG1 4.36Å; I201-L208 HydrophobicContact CG2-CD1 3.89Å; I201-L217 HydrophobicContact CD1-CD2 4.42Å
202	I	97.2	Very high	92	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.4	172.1	-53.4	176.6	0	0	0	107.7	I152 A160 T163 M164 T167 I178 A179 L180 I181 I200	I152-I202 HydrophobicContact CB-CG1 4.26Å; I152-I202 HydrophobicContact CB-CG2 4.47Å; I152-I202 HydrophobicContact CD1-CD1 4.5Å; I152-I202 HydrophobicContact CD1-CG1 4.24Å; I152-I202 WeakPolarHBondContact O-CA 3.21Å; A160-I202 HydrophobicContact CB-CG2 4.29Å; T163-I202 HydrophobicContact CG2-CD1 4.35Å; T163-I202 HydrophobicContact CG2-CG2 4.39Å; M164-I202 HydrophobicContact CB-CD1 4.09Å; T167-I202 HydrophobicContact CG2-CD1 4.44Å; I178-I202 HydrophobicContact CG2-CD1 3.58Å; I178-I202 HydrophobicContact CG2-CG1 3.93Å; A179-I202 PolarHBondContact O-N 3.38Å; L180-I202 CarbonylContact C-O 3.58Å; L180-I202 WeakPolarHBondContact CA-O 3.42Å; L180-I202 HydrophobicContact CD1-CB 4.14Å; L180-I202 HydrophobicContact CD1-CG2 4.13Å; I181-I202 PolarHBondContact N-O 2.98Å; I200-I202 HydrophobicContact CG2-CG1 4.11Å
203	G	95.4	Very high	91.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	174.9	-179.4	0	0	0	0	0	117.6	I152 T154 I181	I152-G203 PolarHBondContact O-N 2.82Å; T154-G203 PolarHBondContact N-O 3.44Å; T154-G203 PolarHBondContact OG1-O 2.69Å; I181-G203 WeakPolarHBondContact O-CA 3.47Å
204	T	94.2	Very high	91.8	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.104	C	C	.	.			trans	-87.2	138.9	169.6	51.8	0	0	0	0	110	I181 L182 G206 R207 L208 E730	I181-T204 PolarHBondContact O-N 3.45Å; I181-T204 VanDerWaalsContact O-N 3.15Å; L182-T204 HydrophobicContact CD2-CG2 3.73Å; T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 2.76Å; T204-R207 PolarHBondContact O-N 2.92Å; T204-L208 WeakPolarHBondContact O-CB 3.22Å; T204-L208 PolarHBondContact O-N 2.9Å; T204-E730 WeakPolarHBondContact CB-OE2 3.27Å; T204-E730 PolarHBondContact OG1-OE2 3.12Å
205	P	93.5	Very high	91.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57	-39.1	-176.1	-24.1	31.2	0	0	0	113.3	L153 L208 M209 L233 F238 Q241 L242 I245	L153-P205 HydrophobicContact CD2-CG 4.38Å; P205-L208 PolarHBondContact O-N 3.14Å; P205-M209 VanDerWaalsContact O-CB 3.27Å; P205-M209 WeakPolarHBondContact O-CB 3.44Å; P205-M209 PolarHBondContact O-N 3.47Å; P205-L233 HydrophobicContact CG-CD2 3.63Å; P205-F238 HydrophobicContact CB-CB 4.22Å; P205-F238 HydrophobicContact CB-CD1 4.41Å; P205-F238 HydrophobicContact CB-CG 4.27Å; P205-F238 HydrophobicContact CG-CB 4.19Å; P205-F238 HydrophobicContact CG-CD2 4.28Å; P205-F238 HydrophobicContact CG-CG 4.17Å; P205-Q241 HydrophobicContact CB-CB 4.11Å; P205-L242 HydrophobicContact CB-CD2 4.11Å; P205-L242 HydrophobicContact CB-CG 4.48Å; P205-L242 HydrophobicContact CG-CD2 3.72Å; P205-L242 HydrophobicContact CG-CG 4.38Å; P205-I245 HydrophobicContact CB-CD1 4.09Å
206	G	90.6	Very high	91.5	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-49.7	-179.6	0	0	0	0	0	113.8	T204 H210	T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 2.76Å; G206-H210 PolarHBondContact O-N 3.48Å
207	R	91.8	Very high	91.5	Very high	39 Å²	39	20.3 Å²	20.3	15%	0.147	11%	0.106	C	C	.	.	H	α-helix	trans	-73.5	-39.7	177	179	62.5	74.7	93.3	-4	111.5	I181 L182 D185 M187 Q190 T204 M209 H210 V211	I181-R207 HydrophobicContact CG2-CB 4.43Å; I181-R207 HydrophobicContact CG2-CG 3.8Å; L182-R207 WeakPolarHBondContact O-CG 3.36Å; L182-R207 VanDerWaalsContact O-CZ 3.28Å; L182-R207 PolarHBondContact O-NH1 2.87Å; D185-R207 PolarHBondContact O-NH1 3.13Å; D185-R207 PolarHBondContact O-NH2 3Å; M187-R207 PolarHBondContact SD-NH1 3.27Å; Q190-R207 VanDerWaalsContact OE1-CG 3.3Å; T204-R207 PolarHBondContact O-N 2.92Å; R207-M209 VanDerWaalsContact C-N 3.3Å; R207-M209 PolarHBondContact O-N 2.95Å; R207-H210 WeakPolarHBondContact O-CB 3.45Å; R207-H210 PolarHBondContact O-N 3.21Å; R207-H210 VanDerWaalsContact O-N 3.11Å; R207-V211 HydrophobicContact CG-CG2 4.12Å; R207-V211 WeakPolarHBondContact O-CG2 3.44Å; R207-V211 PolarHBondContact O-N 3.05Å
208	L	93.5	Very high	91.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-44.1	178.8	-177.1	65.6	0	0	0	111.3	L151 L153 I181 I201 T204 P205 H210 V211 I212 I245	L151-L208 HydrophobicContact CD1-CD2 3.55Å; L151-L208 HydrophobicContact CD2-CD2 4.18Å; L153-L208 HydrophobicContact CD2-CD2 3.69Å; I181-L208 HydrophobicContact CB-CD1 4.3Å; I181-L208 HydrophobicContact CG1-CD1 4.33Å; I181-L208 HydrophobicContact CG2-CB 4.21Å; I181-L208 HydrophobicContact CG2-CD1 4.04Å; I201-L208 HydrophobicContact CG2-CD1 3.89Å; T204-L208 WeakPolarHBondContact O-CB 3.22Å; T204-L208 PolarHBondContact O-N 2.9Å; P205-L208 PolarHBondContact O-N 3.14Å; L208-H210 VanDerWaalsContact C-N 3.31Å; L208-H210 PolarHBondContact O-N 3.32Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-I212 HydrophobicContact CD1-CD1 4.19Å; L208-I212 HydrophobicContact CD1-CG1 4.33Å; L208-I212 HydrophobicContact CD2-CD1 4.29Å; L208-I212 HydrophobicContact CG-CD1 3.73Å; L208-I212 HydrophobicContact CG-CG1 4.33Å; L208-I212 WeakPolarHBondContact O-CB 3.32Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.28Å; L208-I245 HydrophobicContact CD2-CD1 4.28Å
209	M	91.4	Very high	91.4	Very high	11 Å²	11	23 Å²	23	5%	0.054	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-36.8	176.4	-164.2	64.4	-110.2	0	0	112.4	P205 R207 I212 T213 E244 I245	P205-M209 VanDerWaalsContact O-CB 3.27Å; P205-M209 WeakPolarHBondContact O-CB 3.44Å; P205-M209 PolarHBondContact O-N 3.47Å; R207-M209 VanDerWaalsContact C-N 3.3Å; R207-M209 PolarHBondContact O-N 2.95Å; M209-I212 HydrophobicContact CE-CB 3.98Å; M209-I212 HydrophobicContact CE-CG2 3.68Å; M209-T213 VanDerWaalsContact CE-OG1 3.3Å; M209-T213 WeakPolarHBondContact CE-OG1 3.48Å; M209-T213 WeakPolarHBondContact O-CB 3.36Å; M209-T213 PolarHBondContact O-N 3.46Å; M209-T213 PolarHBondContact O-OG1 3.23Å; M209-E244 HydrophobicContact CE-CG 3.87Å; M209-E244 HydrophobicContact CG-CG 4.39Å; M209-E244 HydrophobicContact SD-CB 3.92Å; M209-E244 HydrophobicContact SD-CG 3.42Å; M209-E244 WeakPolarHBondContact SD-CG 3.43Å; M209-I245 HydrophobicContact SD-CG1 3.8Å
210	H	89.8	Confident	91.2	Very high	40 Å²	40	28.5 Å²	28.5	19%	0.185	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.6	-169.5	-111.6	0	0	0	111.4	M187 G206 R207 L208 T213 D214	M187-H210 VanDerWaalsContact CE-ND1 3.31Å; M187-H210 WeakPolarHBondContact CE-ND1 3.27Å; M187-H210 PolarHBondContact SD-ND1 2.91Å; M187-H210 VanDerWaalsContact SD-ND1 3.43Å; G206-H210 PolarHBondContact O-N 3.48Å; R207-H210 WeakPolarHBondContact O-CB 3.45Å; R207-H210 PolarHBondContact O-N 3.21Å; R207-H210 VanDerWaalsContact O-N 3.11Å; L208-H210 VanDerWaalsContact C-N 3.31Å; L208-H210 PolarHBondContact O-N 3.32Å; H210-T213 WeakPolarHBondContact O-CB 3.31Å; H210-T213 PolarHBondContact O-N 2.93Å; H210-T213 VanDerWaalsContact O-N 3.13Å; H210-D214 IonicContact CE1-OD2 2.74Å; H210-D214 PolarHBondContact O-N 3.35Å
211	V	90.6	Very high	91	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-41.5	-179.5	177.8	0	0	0	0	112	I181 M187 F191 L194 R207 L208 T213 D214 M215	I181-V211 HydrophobicContact CG2-CB 4.31Å; I181-V211 HydrophobicContact CG2-CG2 3.95Å; M187-V211 HydrophobicContact CE-CG2 3.81Å; M187-V211 HydrophobicContact SD-CG2 4.11Å; F191-V211 HydrophobicContact CD1-CG1 4.45Å; F191-V211 HydrophobicContact CE1-CG1 4.44Å; L194-V211 HydrophobicContact CD1-CG1 3.35Å; R207-V211 HydrophobicContact CG-CG2 4.12Å; R207-V211 WeakPolarHBondContact O-CG2 3.44Å; R207-V211 PolarHBondContact O-N 3.05Å; L208-V211 PolarHBondContact O-N 3.43Å; V211-T213 PolarHBondContact O-N 3.24Å; V211-D214 PolarHBondContact O-N 3.04Å; V211-M215 HydrophobicContact CG1-CG 4.14Å; V211-M215 HydrophobicContact CG1-SD 3.63Å; V211-M215 WeakPolarHBondContact O-CB 3.26Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 3.45Å
212	I	90.3	Very high	90.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-41.8	171.5	-71	164.7	0	0	0	110.9	L208 M209 N216 L217 L219 I245	L208-I212 HydrophobicContact CD1-CD1 4.19Å; L208-I212 HydrophobicContact CD1-CG1 4.33Å; L208-I212 HydrophobicContact CD2-CD1 4.29Å; L208-I212 HydrophobicContact CG-CD1 3.73Å; L208-I212 HydrophobicContact CG-CG1 4.33Å; L208-I212 WeakPolarHBondContact O-CB 3.32Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.28Å; M209-I212 HydrophobicContact CE-CB 3.98Å; M209-I212 HydrophobicContact CE-CG2 3.68Å; I212-N216 CarbonylContact O-C 3.58Å; I212-N216 WeakPolarHBondContact O-CA 3.38Å; I212-N216 PolarHBondContact O-N 2.76Å; I212-L217 HydrophobicContact CB-CB 4.4Å; I212-L217 HydrophobicContact CG1-CB 4.18Å; I212-L217 HydrophobicContact CG1-CD2 4.17Å; I212-L217 PolarHBondContact O-N 3.43Å; I212-L219 HydrophobicContact CD1-CD1 3.82Å; I212-L219 HydrophobicContact CD1-CG 4.49Å; I212-I245 HydrophobicContact CD1-CG1 4.42Å
213	T	88.7	Confident	90.8	Very high	30 Å²	30	32.8 Å²	32.8	18%	0.184	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-28	-175.7	-63.3	0	0	0	0	113.6	M209 H210 V211 R740	M209-T213 VanDerWaalsContact CE-OG1 3.3Å; M209-T213 WeakPolarHBondContact CE-OG1 3.48Å; M209-T213 WeakPolarHBondContact O-CB 3.36Å; M209-T213 PolarHBondContact O-N 3.46Å; M209-T213 PolarHBondContact O-OG1 3.23Å; H210-T213 WeakPolarHBondContact O-CB 3.31Å; H210-T213 PolarHBondContact O-N 2.93Å; H210-T213 VanDerWaalsContact O-N 3.13Å; V211-T213 PolarHBondContact O-N 3.24Å; T213-R740 PolarHBondContact O-NH1 3.03Å
214	D	88.1	Confident	90.8	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.128	16%	0.162	C	C	.	.	H	α-helix	trans	-90.7	-36.9	178	-86.9	4.8	0	0	0	112.9	F191 H210 V211 N216 Y744	F191-D214 HydrophobicContact CE1-CB 4.35Å; F191-D214 HydrophobicContact CZ-CB 4.27Å; H210-D214 IonicContact CE1-OD2 2.74Å; H210-D214 PolarHBondContact O-N 3.35Å; V211-D214 PolarHBondContact O-N 3.04Å; D214-N216 VanDerWaalsContact C-N 3.35Å; D214-Y744 WeakPolarHBondContact O-CD1 3.47Å
215	M	86.7	Confident	90.9	Very high	17 Å²	17	32.8 Å²	32.8	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-81.4	-14.6	175.8	-65.7	-175.7	77.6	0	0	113.7	F191 L194 V211 L217 Y744	F191-M215 HydrophobicContact CD1-CG 3.56Å; F191-M215 HydrophobicContact CD1-SD 3.67Å; F191-M215 HydrophobicContact CE1-CG 3.67Å; F191-M215 HydrophobicContact CE1-SD 4.3Å; L194-M215 HydrophobicContact CB-CE 3.89Å; L194-M215 HydrophobicContact CB-SD 4.04Å; L194-M215 HydrophobicContact CD1-CE 4.42Å; L194-M215 HydrophobicContact CD1-SD 3.47Å; L194-M215 WeakPolarHBondContact CD1-SD 3.34Å; L194-M215 HydrophobicContact CG-SD 4.41Å; V211-M215 HydrophobicContact CG1-CG 4.14Å; V211-M215 HydrophobicContact CG1-SD 3.63Å; V211-M215 WeakPolarHBondContact O-CB 3.26Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 3.45Å; M215-L217 HydrophobicContact CB-CB 4.26Å; M215-L217 PolarHBondContact O-N 2.64Å; M215-Y744 HydrophobicContact CB-CD1 4.26Å; M215-Y744 HydrophobicContact CB-CE1 4.01Å; M215-Y744 HydrophobicContact CB-CE2 4.45Å; M215-Y744 HydrophobicContact CE-CD2 4.42Å; M215-Y744 HydrophobicContact CE-CE2 3.59Å; M215-Y744 HydrophobicContact CG-CD1 4.31Å; M215-Y744 HydrophobicContact CG-CD2 3.88Å; M215-Y744 HydrophobicContact CG-CE1 4.26Å; M215-Y744 HydrophobicContact CG-CE2 3.87Å; M215-Y744 HydrophobicContact CG-CG 4.08Å; M215-Y744 WeakPolarHBondContact O-CE1 3.23Å; M215-Y744 HydrophobicContact SD-CE2 4.46Å
216	N	86.3	Confident	91.1	Very high	124 Å²	124	32.8 Å²	32.8	66%	0.663	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	43.6	-161.5	-162.1	39.1	0	0	0	112	I212 D214 K218	I212-N216 CarbonylContact O-C 3.58Å; I212-N216 WeakPolarHBondContact O-CA 3.38Å; I212-N216 PolarHBondContact O-N 2.76Å; D214-N216 VanDerWaalsContact C-N 3.35Å; N216-K218 PolarHBondContact O-N 2.93Å
217	L	87.2	Confident	91.3	Very high	40 Å²	40	32.8 Å²	32.8	21%	0.209	16%	0.161	C	C	.	.			trans	-65.9	129.1	-172	-170.5	69	0	0	0	111.1	L194 I201 I212 M215 L219	L194-L217 HydrophobicContact CD1-CD2 4.26Å; L194-L217 HydrophobicContact CD2-CD2 4.31Å; I201-L217 HydrophobicContact CD1-CD2 4.42Å; I212-L217 HydrophobicContact CB-CB 4.4Å; I212-L217 HydrophobicContact CG1-CB 4.18Å; I212-L217 HydrophobicContact CG1-CD2 4.17Å; I212-L217 PolarHBondContact O-N 3.43Å; M215-L217 HydrophobicContact CB-CB 4.26Å; M215-L217 PolarHBondContact O-N 2.64Å; L217-L219 HydrophobicContact CD2-CD2 4.07Å; L217-L219 HydrophobicContact CG-CD2 4.36Å
218	K	88.6	Confident	91.4	Very high	135 Å²	135	31 Å²	31	59%	0.587	16%	0.155	S	C	*	.			trans	-88.5	132.4	175.1	-68.8	-177.4	178.6	-177.5	0	110	N216	N216-K218 PolarHBondContact O-N 2.93Å
219	L	90.7	Very high	91.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	16%	0.156	C	C	.	.			trans	-111.4	12	178.1	-58.9	-178.5	0	0	0	113.9	I212 L217 S221 V222 I245 L249 P250	I212-L219 HydrophobicContact CD1-CD1 3.82Å; I212-L219 HydrophobicContact CD1-CG 4.49Å; L217-L219 HydrophobicContact CD2-CD2 4.07Å; L217-L219 HydrophobicContact CG-CD2 4.36Å; L219-S221 PolarHBondContact O-N 3.06Å; L219-V222 HydrophobicContact CB-CG2 4.12Å; L219-V222 HydrophobicContact CD2-CG2 4.46Å; L219-V222 WeakPolarHBondContact O-CB 3.33Å; L219-V222 WeakPolarHBondContact O-CG2 3.45Å; L219-V222 PolarHBondContact O-N 3.24Å; L219-I245 HydrophobicContact CD1-CG2 4.48Å; L219-L249 HydrophobicContact CB-CD2 4.06Å; L219-L249 HydrophobicContact CD1-CD2 4.11Å; L219-L249 HydrophobicContact CD1-CG 4.4Å; L219-P250 WeakPolarHBondContact O-CD 3.49Å
220	H	89.3	Confident	91	Very high	125 Å²	125	30.8 Å²	30.8	58%	0.579	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.6	-176.2	-47.6	106.2	0	0	0	114.7	V222	H220-V222 VanDerWaalsContact C-N 3.32Å
221	S	90.8	Very high	90.7	Very high	33 Å²	33	29.1 Å²	29.1	23%	0.231	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.3	177.9	-48.7	0	0	0	0	114	T146 A148 R149 L219 E223	T146-S221 PolarHBondContact O-OG 3.21Å; A148-S221 CarbonylContact O-C 3.57Å; A148-S221 WeakPolarHBondContact O-CB 3.41Å; R149-S221 WeakPolarHBondContact CA-O 3.46Å; L219-S221 PolarHBondContact O-N 3.06Å; S221-E223 PolarHBondContact O-N 3.12Å
222	V	94.5	Very high	90.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.151	C	C	.	.			trans	-81.8	104.2	-173.4	180	0	0	0	0	111.8	A148 R149 L151 L219 H220 V225 L249 P250	A148-V222 WeakPolarHBondContact O-CG2 3.32Å; A148-V222 PolarHBondContact O-N 2.78Å; R149-V222 CarbonylContact O-C 3.34Å; R149-V222 WeakPolarHBondContact O-CA 3.42Å; L151-V222 HydrophobicContact CB-CG1 4.01Å; L219-V222 HydrophobicContact CB-CG2 4.12Å; L219-V222 HydrophobicContact CD2-CG2 4.46Å; L219-V222 WeakPolarHBondContact O-CB 3.33Å; L219-V222 WeakPolarHBondContact O-CG2 3.45Å; L219-V222 PolarHBondContact O-N 3.24Å; H220-V222 VanDerWaalsContact C-N 3.32Å; V222-V225 HydrophobicContact CG1-CG2 3.69Å; V222-L249 HydrophobicContact CB-CD2 3.6Å; V222-L249 HydrophobicContact CG1-CD2 3.63Å; V222-L249 HydrophobicContact CG2-CD2 3.98Å; V222-P250 WeakPolarHBondContact O-CG 3.21Å
223	E	94.3	Very high	90	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.271	15%	0.151	S	C	.	.			trans	-91.2	-7.5	178.8	56.2	159.2	-154.3	0	0	114.4	K138 L139 R149 S221 Q254	K138-E223 WeakPolarHBondContact CG-OE1 3.4Å; K138-E223 PolarHBondContact NZ-O 3.46Å; L139-E223 WeakPolarHBondContact CD2-OE1 3.32Å; R149-E223 HydrophobicContact CB-CG 4.4Å; R149-E223 WeakPolarHBondContact O-CG 3.27Å; R149-E223 PolarHBondContact O-N 3.35Å; S221-E223 PolarHBondContact O-N 3.12Å; E223-Q254 PolarHBondContact O-N 2.92Å
224	Y	96.1	Very high	89.7	Confident	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	120.5	-172.3	-165.7	-92.1	0	0	0	112.2	I111 F131 M135 K138 R149 A150 L151 V226 Q254 L256	I111-Y224 HydrophobicContact CG2-CE2 3.86Å; I111-Y224 WeakPolarHBondContact CG2-OH 3.48Å; F131-Y224 PolarHBondContact O-OH 2.99Å; M135-Y224 HydrophobicContact CB-CD1 4Å; M135-Y224 HydrophobicContact CB-CE1 3.44Å; M135-Y224 VanDerWaalsContact CB-CE1 3.44Å; M135-Y224 HydrophobicContact CG-CD1 3.58Å; M135-Y224 HydrophobicContact CG-CE1 3.56Å; M135-Y224 HydrophobicContact CG-CG 4.27Å; M135-Y224 PolarHBondContact N-OH 3.35Å; M135-Y224 HydrophobicContact SD-CD1 4.08Å; M135-Y224 HydrophobicContact SD-CE1 4.09Å; K138-Y224 HydrophobicContact CD-CD2 3.78Å; K138-Y224 HydrophobicContact CD-CE2 4.49Å; K138-Y224 HydrophobicContact CD-CG 4.5Å; R149-Y224 PolarHBondContact O-N 3.24Å; A150-Y224 CarbonylContact C-O 3.55Å; A150-Y224 VanDerWaalsContact CA-O 3.25Å; A150-Y224 WeakPolarHBondContact CA-O 3.33Å; A150-Y224 HydrophobicContact CB-CD1 4.36Å; L151-Y224 PolarHBondContact N-O 2.93Å; Y224-V226 HydrophobicContact CD1-CG2 3.99Å; Y224-V226 HydrophobicContact CE1-CG2 3.53Å; Y224-Q254 CarbonylContact C-O 3.58Å; Y224-Q254 WeakPolarHBondContact CA-O 3.33Å; Y224-Q254 HydrophobicContact CD2-CB 4.27Å; Y224-Q254 HydrophobicContact CD2-CG 4.42Å; Y224-L256 HydrophobicContact CE1-CD1 4.1Å; Y224-L256 HydrophobicContact CE2-CD1 3.99Å; Y224-L256 VanDerWaalsContact CZ-CD1 3.49Å; Y224-L256 WeakPolarHBondContact OH-CD1 3.34Å
225	V	96.5	Very high	89.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.7	-175.5	-177.1	0	0	0	0	110.5	L151 V222 F227 L249 Q254 T255 L256	L151-V225 CarbonylContact O-C 3.59Å; L151-V225 WeakPolarHBondContact O-CA 3.32Å; V222-V225 HydrophobicContact CG1-CG2 3.69Å; V225-F227 HydrophobicContact CG1-CD2 4.48Å; V225-F227 HydrophobicContact CG1-CE2 3.89Å; V225-F227 HydrophobicContact CG1-CZ 3.95Å; V225-L249 HydrophobicContact CG1-CD1 4.3Å; V225-L249 HydrophobicContact CG2-CD1 3.87Å; V225-L249 HydrophobicContact CG2-CD2 4.07Å; V225-Q254 PolarHBondContact N-O 3.06Å; V225-T255 HydrophobicContact CB-CG2 4.49Å; V225-L256 PolarHBondContact O-N 3.2Å
226	V	96.7	Very high	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	177.6	-175.4	0	0	0	0	110.4	F131 L151 I152 L153 Y224 L256 F258	F131-V226 HydrophobicContact CB-CG1 4.3Å; F131-V226 HydrophobicContact CB-CG2 4.19Å; F131-V226 HydrophobicContact CD1-CG1 3.84Å; F131-V226 HydrophobicContact CD2-CG1 3.93Å; F131-V226 HydrophobicContact CD2-CG2 4.14Å; F131-V226 HydrophobicContact CE1-CG1 4Å; F131-V226 HydrophobicContact CE2-CG1 4.11Å; F131-V226 HydrophobicContact CG-CG1 3.79Å; F131-V226 HydrophobicContact CG-CG2 4.28Å; F131-V226 HydrophobicContact CZ-CG1 4.13Å; L151-V226 PolarHBondContact O-N 2.98Å; I152-V226 HydrophobicContact CG1-CB 4.31Å; I152-V226 HydrophobicContact CG1-CG2 4.43Å; I152-V226 HydrophobicContact CG2-CB 4.23Å; I152-V226 HydrophobicContact CG2-CG1 4.43Å; L153-V226 PolarHBondContact N-O 3.43Å; Y224-V226 HydrophobicContact CD1-CG2 3.99Å; Y224-V226 HydrophobicContact CE1-CG2 3.53Å; V226-L256 WeakPolarHBondContact CA-O 3.45Å; V226-L256 HydrophobicContact CG2-CB 4.44Å; V226-L256 HydrophobicContact CG2-CD1 4.36Å; V226-F258 HydrophobicContact CG1-CD2 4.35Å
227	F	95.3	Very high	87.9	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	104.2	164.6	-55.3	-84.5	0	0	0	108.4	L153 V225 A230 L233 L242 I246 T255 L256 F258 F269	L153-F227 HydrophobicContact CB-CD1 4.14Å; L153-F227 HydrophobicContact CD1-CD1 3.8Å; L153-F227 HydrophobicContact CD1-CE1 3.41Å; L153-F227 VanDerWaalsContact CD1-CE1 3.41Å; L153-F227 HydrophobicContact CD1-CZ 4.29Å; V225-F227 HydrophobicContact CG1-CD2 4.48Å; V225-F227 HydrophobicContact CG1-CE2 3.89Å; V225-F227 HydrophobicContact CG1-CZ 3.95Å; F227-A230 HydrophobicContact CB-CB 4.16Å; F227-L233 HydrophobicContact CB-CD1 4.03Å; F227-L233 HydrophobicContact CD1-CD1 4.16Å; F227-L242 HydrophobicContact CD1-CD2 3.96Å; F227-L242 HydrophobicContact CE1-CD2 3.8Å; F227-I246 HydrophobicContact CZ-CD1 3.93Å; F227-I246 HydrophobicContact CZ-CG1 4.13Å; F227-T255 HydrophobicContact CD2-CG2 4.19Å; F227-T255 HydrophobicContact CE2-CG2 3.63Å; F227-L256 PolarHBondContact N-O 3.36Å; F227-F258 PolarHBondContact O-N 3.19Å; F227-F269 HydrophobicContact CD1-CZ 4.37Å; F227-F269 HydrophobicContact CD2-CE1 4.31Å; F227-F269 AromaticContact CE1-CZ 3.93Å; F227-F269 HydrophobicContact CE1-CZ 3.93Å; F227-F269 HydrophobicContact CE2-CE1 4.22Å; F227-F269 HydrophobicContact CE2-CZ 4.12Å; F227-F269 HydrophobicContact CZ-CE1 4.34Å; F227-F269 AromaticContact CZ-CZ 3.8Å; F227-F269 HydrophobicContact CZ-CZ 3.8Å
228	D	93.4	Very high	87.8	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.3	175.9	-166.6	16.3	0	0	0	111.6	K127 F131 L153 P155 A230	K127-D228 IonicContact NZ-OD1 2.61Å; F131-D228 HydrophobicContact CE1-CB 3.98Å; F131-D228 HydrophobicContact CZ-CB 4.07Å; L153-D228 PolarHBondContact O-N 3.09Å; P155-D228 WeakPolarHBondContact CD-O 3.07Å; D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.46Å
229	E	88.9	Confident	87.5	Confident	5 Å²	5	23.4 Å²	23.4	2%	0.023	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	54.2	-164.4	-61.8	-164.9	146.7	0	0	112.2	T123 P155 L159 D231 R232 L233 F258	T123-E229 VanDerWaalsContact CG2-OE1 3.29Å; T123-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T123-E229 PolarHBondContact OG1-OE1 2.93Å; P155-E229 HydrophobicContact CG-CB 4.05Å; L159-E229 HydrophobicContact CD2-CB 4.3Å; L159-E229 HydrophobicContact CD2-CG 3.97Å; E229-D231 VanDerWaalsContact C-N 3.32Å; E229-D231 PolarHBondContact O-N 3.35Å; E229-R232 HydrophobicContact CB-CB 4.27Å; E229-R232 HydrophobicContact CB-CG 4.42Å; E229-R232 CarbonylContact O-C 3.6Å; E229-R232 WeakPolarHBondContact O-CA 3.16Å; E229-R232 WeakPolarHBondContact O-CB 3.29Å; E229-R232 PolarHBondContact O-N 3.05Å; E229-R232 IonicContact OE1-CZ 3.53Å; E229-R232 IonicContact OE1-NH1 2.71Å; E229-R232 PolarHBondContact OE1-NH1 3.04Å; E229-R232 WeakPolarHBondContact OE2-CD 3.2Å; E229-R232 IonicContact OE2-CZ 3.87Å; E229-R232 IonicContact OE2-NE 2.69Å; E229-R232 IonicContact OE2-NH1 2.82Å; E229-R232 PolarHBondContact OE2-NH1 3.44Å; E229-L233 PolarHBondContact O-N 3.27Å; E229-L233 VanDerWaalsContact O-N 3.12Å; E229-F258 WeakPolarHBondContact CA-O 3.49Å; E229-F258 PolarHBondContact N-O 3.29Å
230	A	88.3	Confident	87.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-31.6	-171.2	0	0	0	0	0	114.2	F227 D228 R232 L233 F234 L257 F258 L266	F227-A230 HydrophobicContact CB-CB 4.16Å; D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.46Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.82Å; A230-L233 WeakPolarHBondContact O-CB 3.49Å; A230-L233 PolarHBondContact O-N 2.77Å; A230-F234 WeakPolarHBondContact O-CD2 3.06Å; A230-F234 PolarHBondContact O-N 2.64Å; A230-L257 HydrophobicContact CB-CD2 3.54Å; A230-L257 HydrophobicContact CB-CG 3.89Å; A230-F258 PolarHBondContact N-O 3.46Å; A230-L266 HydrophobicContact CB-CD1 3.92Å; A230-L266 HydrophobicContact CB-CD2 4.12Å
231	D	83.8	Confident	87.3	Confident	6 Å²	6	24.1 Å²	24.1	3%	0.032	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-39.8	169.4	48.9	7.2	0	0	0	112.5	E229 L233 F234 E235 S259 A260 T261 L266	E229-D231 VanDerWaalsContact C-N 3.32Å; E229-D231 PolarHBondContact O-N 3.35Å; D231-L233 VanDerWaalsContact C-N 3.31Å; D231-L233 PolarHBondContact O-N 2.57Å; D231-F234 PolarHBondContact O-N 3.1Å; D231-E235 PolarHBondContact O-N 3Å; D231-S259 VanDerWaalsContact CB-OG 3.27Å; D231-S259 WeakPolarHBondContact CB-OG 3.47Å; D231-S259 PolarHBondContact N-OG 3.28Å; D231-S259 VanDerWaalsContact N-OG 3.12Å; D231-S259 PolarHBondContact OD1-OG 3.4Å; D231-S259 PolarHBondContact OD2-OG 3.3Å; D231-A260 WeakPolarHBondContact OD2-CB 3.37Å; D231-A260 PolarHBondContact OD2-N 3.16Å; D231-T261 WeakPolarHBondContact CB-OG1 3.22Å; D231-T261 WeakPolarHBondContact OD2-CB 3.45Å; D231-T261 PolarHBondContact OD2-N 2.86Å; D231-T261 PolarHBondContact OD2-OG1 3.28Å; D231-L266 HydrophobicContact CB-CD2 4.19Å
232	R	81.2	Confident	87.2	Confident	26 Å²	26	22.6 Å²	22.6	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-71.2	-19.8	171.2	-63.5	-176.9	-178	171.2	-1	113.8	P155 E229 A230 F234 M236	P155-R232 HydrophobicContact CB-CB 3.94Å; P155-R232 HydrophobicContact CG-CB 3.84Å; E229-R232 HydrophobicContact CB-CB 4.27Å; E229-R232 HydrophobicContact CB-CG 4.42Å; E229-R232 CarbonylContact O-C 3.6Å; E229-R232 WeakPolarHBondContact O-CA 3.16Å; E229-R232 WeakPolarHBondContact O-CB 3.29Å; E229-R232 PolarHBondContact O-N 3.05Å; E229-R232 IonicContact OE1-CZ 3.53Å; E229-R232 IonicContact OE1-NH1 2.71Å; E229-R232 PolarHBondContact OE1-NH1 3.04Å; E229-R232 WeakPolarHBondContact OE2-CD 3.2Å; E229-R232 IonicContact OE2-CZ 3.87Å; E229-R232 IonicContact OE2-NE 2.69Å; E229-R232 IonicContact OE2-NH1 2.82Å; E229-R232 PolarHBondContact OE2-NH1 3.44Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.82Å; R232-F234 VanDerWaalsContact C-N 3.31Å; R232-M236 WeakPolarHBondContact O-CA 3.43Å; R232-M236 VanDerWaalsContact O-CB 3.22Å; R232-M236 WeakPolarHBondContact O-CB 3.27Å; R232-M236 VanDerWaalsContact O-CG 3.28Å; R232-M236 WeakPolarHBondContact O-CG 3.49Å; R232-M236 PolarHBondContact O-N 3.03Å
233	L	84.5	Confident	86.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-28.7	170.1	-78.3	170.4	0	0	0	112	P155 P205 F227 E229 A230 D231 M236 F238 L242	P155-L233 HydrophobicContact CB-CD2 3.97Å; P155-L233 HydrophobicContact CB-CG 4.13Å; P205-L233 HydrophobicContact CG-CD2 3.63Å; F227-L233 HydrophobicContact CB-CD1 4.03Å; F227-L233 HydrophobicContact CD1-CD1 4.16Å; E229-L233 PolarHBondContact O-N 3.27Å; E229-L233 VanDerWaalsContact O-N 3.12Å; A230-L233 WeakPolarHBondContact O-CB 3.49Å; A230-L233 PolarHBondContact O-N 2.77Å; D231-L233 VanDerWaalsContact C-N 3.31Å; D231-L233 PolarHBondContact O-N 2.57Å; L233-M236 WeakPolarHBondContact O-CA 3.33Å; L233-F238 HydrophobicContact CD2-CD2 4.12Å; L233-F238 PolarHBondContact O-N 2.81Å; L233-L242 HydrophobicContact CB-CD1 4.03Å; L233-L242 HydrophobicContact CD1-CD2 4.42Å; L233-L242 HydrophobicContact CD2-CD2 4.49Å
234	F	81.8	Confident	86.6	Confident	27 Å²	27	26.2 Å²	26.2	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-91.4	-37.6	175.9	-74.3	-86.8	0	0	0	113.7	A230 D231 R232 M236 G237 A239 L242 L265 L266 F269	A230-F234 WeakPolarHBondContact O-CD2 3.06Å; A230-F234 PolarHBondContact O-N 2.64Å; D231-F234 PolarHBondContact O-N 3.1Å; R232-F234 VanDerWaalsContact C-N 3.31Å; F234-M236 PolarHBondContact O-N 3.05Å; F234-G237 PolarHBondContact O-N 2.82Å; F234-G237 VanDerWaalsContact O-N 3.09Å; F234-A239 HydrophobicContact CD1-CB 3.91Å; F234-A239 HydrophobicContact CE1-CB 3.7Å; F234-L242 HydrophobicContact CE2-CD1 4.07Å; F234-L242 HydrophobicContact CZ-CD1 3.99Å; F234-L265 HydrophobicContact CB-CD2 4.37Å; F234-L265 HydrophobicContact CD1-CD2 3.64Å; F234-L265 HydrophobicContact CD1-CG 3.97Å; F234-L265 HydrophobicContact CE1-CD2 4.45Å; F234-L265 HydrophobicContact CE1-CG 4.42Å; F234-L265 HydrophobicContact CG-CD2 4.35Å; F234-L266 HydrophobicContact CD2-CD1 3.67Å; F234-L266 HydrophobicContact CE2-CD1 3.58Å; F234-F269 HydrophobicContact CE1-CB 4.46Å; F234-F269 HydrophobicContact CE1-CD2 4.37Å; F234-F269 HydrophobicContact CE1-CG 4.45Å; F234-F269 HydrophobicContact CE2-CB 4.37Å; F234-F269 AromaticContact CE2-CD1 3.9Å; F234-F269 HydrophobicContact CE2-CD1 3.9Å; F234-F269 HydrophobicContact CE2-CD2 4.34Å; F234-F269 HydrophobicContact CE2-CE1 4.15Å; F234-F269 AromaticContact CE2-CG 3.97Å; F234-F269 HydrophobicContact CE2-CG 3.97Å; F234-F269 HydrophobicContact CE2-CZ 4.44Å; F234-F269 HydrophobicContact CZ-CB 3.84Å; F234-F269 AromaticContact CZ-CD1 3.88Å; F234-F269 HydrophobicContact CZ-CD1 3.88Å; F234-F269 AromaticContact CZ-CD2 3.51Å; F234-F269 HydrophobicContact CZ-CD2 3.51Å; F234-F269 HydrophobicContact CZ-CE1 4.23Å; F234-F269 AromaticContact CZ-CE2 3.86Å; F234-F269 HydrophobicContact CZ-CE2 3.86Å; F234-F269 AromaticContact CZ-CG 3.48Å; F234-F269 HydrophobicContact CZ-CG 3.48Å; F234-F269 VanDerWaalsContact CZ-CG 3.48Å; F234-F269 HydrophobicContact CZ-CZ 4.2Å
235	E	76.9	Confident	86.4	Confident	91 Å²	91	26.1 Å²	26.1	43%	0.425	14%	0.138	S	C	.	.	H	α-helix	trans	-61.5	-20.2	160	-64.7	-170.7	-168.9	0	0	111.5	D231 G237 R381 M691	D231-E235 PolarHBondContact O-N 3Å; E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 3.41Å; E235-R381 IonicContact OE2-CZ 2.71Å; E235-R381 IonicContact OE2-NH1 3.21Å; E235-R381 PolarHBondContact OE2-NH1 2.63Å; E235-R381 IonicContact OE2-NH2 3.3Å; E235-R381 PolarHBondContact OE2-NH2 3.02Å; E235-M691 WeakPolarHBondContact O-CG 3.43Å
236	M	69.1	Low	86	Confident	35 Å²	35	27.6 Å²	27.6	17%	0.172	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.8	166.6	-17.3	159.8	52.4	0	0	117.4	P155 T156 R232 L233 F234 F238 M691	P155-M236 HydrophobicContact CB-SD 4.33Å; T156-M236 HydrophobicContact CG2-CE 4.22Å; T156-M236 HydrophobicContact CG2-SD 4.07Å; R232-M236 WeakPolarHBondContact O-CA 3.43Å; R232-M236 VanDerWaalsContact O-CB 3.22Å; R232-M236 WeakPolarHBondContact O-CB 3.27Å; R232-M236 VanDerWaalsContact O-CG 3.28Å; R232-M236 WeakPolarHBondContact O-CG 3.49Å; R232-M236 PolarHBondContact O-N 3.03Å; L233-M236 WeakPolarHBondContact O-CA 3.33Å; F234-M236 PolarHBondContact O-N 3.05Å; M236-F238 HydrophobicContact CB-CD2 3.83Å; M236-F238 HydrophobicContact CB-CE2 3.67Å; M236-F238 HydrophobicContact CE-CE2 4.38Å; M236-F238 WeakPolarHBondContact O-CD2 3.35Å; M236-F238 WeakPolarHBondContact O-CG 3.48Å; M236-F238 PolarHBondContact O-N 3.26Å; M236-M691 HydrophobicContact CB-CE 3.64Å; M236-M691 HydrophobicContact CB-SD 4.33Å; M236-M691 HydrophobicContact CE-CE 4.34Å; M236-M691 HydrophobicContact CG-CE 3.96Å; M236-M691 VanDerWaalsContact O-CE 3.24Å; M236-M691 WeakPolarHBondContact O-CE 3.38Å
237	G	78.8	Confident	85.6	Confident	36 Å²	36	34.7 Å²	34.7	37%	0.371	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	13.3	-169.8	0	0	0	0	0	114.2	F234 E235 A239 M691	F234-G237 PolarHBondContact O-N 2.82Å; F234-G237 VanDerWaalsContact O-N 3.09Å; E235-G237 VanDerWaalsContact C-N 3.27Å; E235-G237 PolarHBondContact O-N 3.41Å; G237-A239 VanDerWaalsContact C-N 3.29Å; G237-A239 PolarHBondContact O-N 3.47Å; G237-M691 PolarHBondContact N-SD 2.97Å; G237-M691 VanDerWaalsContact N-SD 3.39Å
238	F	83.9	Confident	85.3	Confident	12 Å²	12	38.3 Å²	38.3	5%	0.053	19%	0.186	C	C	.	.			trans	-86	8.3	-172.9	-66.6	-56.5	0	0	0	114	P205 L233 M236 D240 Q241 L242	P205-F238 HydrophobicContact CB-CB 4.22Å; P205-F238 HydrophobicContact CB-CD1 4.41Å; P205-F238 HydrophobicContact CB-CG 4.27Å; P205-F238 HydrophobicContact CG-CB 4.19Å; P205-F238 HydrophobicContact CG-CD2 4.28Å; P205-F238 HydrophobicContact CG-CG 4.17Å; L233-F238 HydrophobicContact CD2-CD2 4.12Å; L233-F238 PolarHBondContact O-N 2.81Å; M236-F238 HydrophobicContact CB-CD2 3.83Å; M236-F238 HydrophobicContact CB-CE2 3.67Å; M236-F238 HydrophobicContact CE-CE2 4.38Å; M236-F238 WeakPolarHBondContact O-CD2 3.35Å; M236-F238 WeakPolarHBondContact O-CG 3.48Å; M236-F238 PolarHBondContact O-N 3.26Å; F238-D240 VanDerWaalsContact C-N 3.32Å; F238-D240 PolarHBondContact O-N 2.88Å; F238-Q241 VanDerWaalsContact C-OE1 3.26Å; F238-Q241 VanDerWaalsContact CA-OE1 3.28Å; F238-Q241 PolarHBondContact O-N 3.1Å; F238-Q241 VanDerWaalsContact O-N 3.1Å; F238-Q241 PolarHBondContact O-OE1 3.36Å; F238-L242 HydrophobicContact CB-CD1 4.11Å; F238-L242 HydrophobicContact CB-CG 4.25Å; F238-L242 WeakPolarHBondContact O-CG 3.26Å; F238-L242 PolarHBondContact O-N 3.03Å
239	A	83.4	Confident	85.3	Confident	22 Å²	22	38.7 Å²	38.7	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-51.8	-47.3	-173.5	0	0	0	0	0	112.9	F234 G237 Q241 L242 Q243	F234-A239 HydrophobicContact CD1-CB 3.91Å; F234-A239 HydrophobicContact CE1-CB 3.7Å; G237-A239 VanDerWaalsContact C-N 3.29Å; G237-A239 PolarHBondContact O-N 3.47Å; A239-Q241 PolarHBondContact O-N 3.4Å; A239-L242 PolarHBondContact O-N 3.01Å; A239-Q243 WeakPolarHBondContact O-CG 3.35Å; A239-Q243 PolarHBondContact O-N 2.63Å
240	D	85.6	Confident	85.4	Confident	119 Å²	119	39.6 Å²	39.6	64%	0.636	20%	0.195	S	C	*	.	H	α-helix	trans	-62.5	-43.3	179.5	-67	-6.9	0	0	0	112.1	F238 Q243 E244	F238-D240 VanDerWaalsContact C-N 3.32Å; F238-D240 PolarHBondContact O-N 2.88Å; D240-Q243 PolarHBondContact O-N 2.6Å; D240-E244 WeakPolarHBondContact O-CB 3.46Å; D240-E244 PolarHBondContact O-N 3.3Å
241	Q	89.4	Confident	85.3	Confident	27 Å²	27	46.6 Å²	46.6	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-66.8	-40.2	178.2	-63.2	85.9	-21.4	0	0	111	P205 F238 A239 E244 I245	P205-Q241 HydrophobicContact CB-CB 4.11Å; F238-Q241 VanDerWaalsContact C-OE1 3.26Å; F238-Q241 VanDerWaalsContact CA-OE1 3.28Å; F238-Q241 PolarHBondContact O-N 3.1Å; F238-Q241 VanDerWaalsContact O-N 3.1Å; F238-Q241 PolarHBondContact O-OE1 3.36Å; A239-Q241 PolarHBondContact O-N 3.4Å; Q241-E244 PolarHBondContact O-N 3.14Å; Q241-I245 WeakPolarHBondContact O-CB 3.37Å; Q241-I245 WeakPolarHBondContact O-CD1 3.45Å; Q241-I245 VanDerWaalsContact O-CG1 3.22Å; Q241-I245 WeakPolarHBondContact O-CG1 3.47Å; Q241-I245 PolarHBondContact O-N 3.27Å
242	L	89.8	Confident	85.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.6	-64.9	162.9	0	0	0	111	L153 P205 F227 L233 F234 F238 A239 I245 I246 F269	L153-L242 HydrophobicContact CD1-CD2 4.05Å; P205-L242 HydrophobicContact CB-CD2 4.11Å; P205-L242 HydrophobicContact CB-CG 4.48Å; P205-L242 HydrophobicContact CG-CD2 3.72Å; P205-L242 HydrophobicContact CG-CG 4.38Å; F227-L242 HydrophobicContact CD1-CD2 3.96Å; F227-L242 HydrophobicContact CE1-CD2 3.8Å; L233-L242 HydrophobicContact CB-CD1 4.03Å; L233-L242 HydrophobicContact CD1-CD2 4.42Å; L233-L242 HydrophobicContact CD2-CD2 4.49Å; F234-L242 HydrophobicContact CE2-CD1 4.07Å; F234-L242 HydrophobicContact CZ-CD1 3.99Å; F238-L242 HydrophobicContact CB-CD1 4.11Å; F238-L242 HydrophobicContact CB-CG 4.25Å; F238-L242 WeakPolarHBondContact O-CG 3.26Å; F238-L242 PolarHBondContact O-N 3.03Å; A239-L242 PolarHBondContact O-N 3.01Å; L242-I245 PolarHBondContact O-N 3.44Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.13Å; L242-F269 HydrophobicContact CB-CE2 4.31Å
243	Q	86.8	Confident	86.1	Confident	99 Å²	99	53.3 Å²	53.3	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-39.7	174.3	-71.1	-178.5	9.1	0	0	112.6	A239 D240 I246 R247	A239-Q243 WeakPolarHBondContact O-CG 3.35Å; A239-Q243 PolarHBondContact O-N 2.63Å; D240-Q243 PolarHBondContact O-N 2.6Å; Q243-I246 PolarHBondContact O-N 2.89Å; Q243-R247 WeakPolarHBondContact O-CB 3.47Å; Q243-R247 WeakPolarHBondContact O-CG 3.48Å; Q243-R247 PolarHBondContact O-N 3.31Å; Q243-R247 PolarHBondContact O-NE 2.69Å
244	E	88.8	Confident	86.6	Confident	37 Å²	37	53.7 Å²	53.7	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-33.2	177	-176.1	69.8	-152.7	0	0	112.4	M209 D240 Q241 R247 R248	M209-E244 HydrophobicContact CE-CG 3.87Å; M209-E244 HydrophobicContact CG-CG 4.39Å; M209-E244 HydrophobicContact SD-CB 3.92Å; M209-E244 HydrophobicContact SD-CG 3.42Å; M209-E244 WeakPolarHBondContact SD-CG 3.43Å; D240-E244 WeakPolarHBondContact O-CB 3.46Å; D240-E244 PolarHBondContact O-N 3.3Å; Q241-E244 PolarHBondContact O-N 3.14Å; E244-R247 IonicContact OE2-CZ 3.62Å; E244-R247 IonicContact OE2-NH1 2.6Å; E244-R247 PolarHBondContact OE2-NH1 3.01Å; E244-R247 IonicContact OE2-NH2 2.63Å; E244-R248 WeakPolarHBondContact O-CD 3.34Å; E244-R248 WeakPolarHBondContact O-CG 3.3Å; E244-R248 IonicContact OE1-CZ 2.7Å; E244-R248 IonicContact OE1-NE 2.98Å; E244-R248 PolarHBondContact OE1-NE 2.94Å; E244-R248 VanDerWaalsContact OE1-NE 3.12Å; E244-R248 IonicContact OE1-NH2 3.32Å; E244-R248 PolarHBondContact OE1-NH2 2.87Å
245	I	91	Very high	87.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-44.5	171.9	-68.9	161.9	0	0	0	110.7	L151 L153 P205 L208 M209 I212 L219 Q241 L242 R247 R248 L249	L151-I245 HydrophobicContact CD2-CG2 3.95Å; L153-I245 HydrophobicContact CD1-CG2 4.35Å; L153-I245 HydrophobicContact CD2-CD1 4.33Å; P205-I245 HydrophobicContact CB-CD1 4.09Å; L208-I245 HydrophobicContact CD2-CD1 4.28Å; M209-I245 HydrophobicContact SD-CG1 3.8Å; I212-I245 HydrophobicContact CD1-CG1 4.42Å; L219-I245 HydrophobicContact CD1-CG2 4.48Å; Q241-I245 WeakPolarHBondContact O-CB 3.37Å; Q241-I245 WeakPolarHBondContact O-CD1 3.45Å; Q241-I245 VanDerWaalsContact O-CG1 3.22Å; Q241-I245 WeakPolarHBondContact O-CG1 3.47Å; Q241-I245 PolarHBondContact O-N 3.27Å; L242-I245 PolarHBondContact O-N 3.44Å; I245-R247 VanDerWaalsContact C-N 3.34Å; I245-R247 PolarHBondContact O-N 3.08Å; I245-R248 PolarHBondContact O-N 3.4Å; I245-L249 HydrophobicContact CG2-CD1 4.09Å; I245-L249 PolarHBondContact O-N 3.27Å
246	I	88.8	Confident	88.2	Confident	31 Å²	31	48.1 Å²	48.1	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-42.8	177.4	-71.4	167.2	0	0	0	111.4	F227 L242 Q243 R248 L249 F269	F227-I246 HydrophobicContact CZ-CD1 3.93Å; F227-I246 HydrophobicContact CZ-CG1 4.13Å; L242-I246 VanDerWaalsContact O-CG1 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.13Å; Q243-I246 PolarHBondContact O-N 2.89Å; I246-R248 PolarHBondContact O-N 3.06Å; I246-L249 PolarHBondContact O-N 3.2Å; I246-L249 VanDerWaalsContact O-N 3.09Å; I246-F269 HydrophobicContact CD1-CE2 3.42Å; I246-F269 VanDerWaalsContact CD1-CE2 3.42Å; I246-F269 HydrophobicContact CD1-CZ 3.56Å
247	R	88.2	Confident	89.4	Confident	149 Å²	149	46.5 Å²	46.5	56%	0.562	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	6.7	174.7	-74.3	-176.8	-85.2	98.2	-0.7	114.8	Q243 E244 I245	Q243-R247 WeakPolarHBondContact O-CB 3.47Å; Q243-R247 WeakPolarHBondContact O-CG 3.48Å; Q243-R247 PolarHBondContact O-N 3.31Å; Q243-R247 PolarHBondContact O-NE 2.69Å; E244-R247 IonicContact OE2-CZ 3.62Å; E244-R247 IonicContact OE2-NH1 2.6Å; E244-R247 PolarHBondContact OE2-NH1 3.01Å; E244-R247 IonicContact OE2-NH2 2.63Å; I245-R247 VanDerWaalsContact C-N 3.34Å; I245-R247 PolarHBondContact O-N 3.08Å
248	R	90.3	Very high	90.1	Very high	78 Å²	78	44.8 Å²	44.8	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-5.8	175.2	-64.3	168.8	-177.7	-107.5	-1.8	113.3	E244 I245 I246	E244-R248 WeakPolarHBondContact O-CD 3.34Å; E244-R248 WeakPolarHBondContact O-CG 3.3Å; E244-R248 IonicContact OE1-CZ 2.7Å; E244-R248 IonicContact OE1-NE 2.98Å; E244-R248 PolarHBondContact OE1-NE 2.94Å; E244-R248 VanDerWaalsContact OE1-NE 3.12Å; E244-R248 IonicContact OE1-NH2 3.32Å; E244-R248 PolarHBondContact OE1-NH2 2.87Å; I245-R248 PolarHBondContact O-N 3.4Å; I246-R248 PolarHBondContact O-N 3.06Å
249	L	91.6	Very high	90.3	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	22%	0.22	C	C	.	.	S	Bend	trans	-86.7	153.5	172.7	-73.6	164.2	0	0	0	109.3	L151 L219 V222 V225 I245 I246	L151-L249 HydrophobicContact CD2-CD1 4.36Å; L151-L249 HydrophobicContact CD2-CD2 4.27Å; L219-L249 HydrophobicContact CB-CD2 4.06Å; L219-L249 HydrophobicContact CD1-CD2 4.11Å; L219-L249 HydrophobicContact CD1-CG 4.4Å; V222-L249 HydrophobicContact CB-CD2 3.6Å; V222-L249 HydrophobicContact CG1-CD2 3.63Å; V222-L249 HydrophobicContact CG2-CD2 3.98Å; V225-L249 HydrophobicContact CG1-CD1 4.3Å; V225-L249 HydrophobicContact CG2-CD1 3.87Å; V225-L249 HydrophobicContact CG2-CD2 4.07Å; I245-L249 HydrophobicContact CG2-CD1 4.09Å; I245-L249 PolarHBondContact O-N 3.27Å; I246-L249 PolarHBondContact O-N 3.2Å; I246-L249 VanDerWaalsContact O-N 3.09Å
250	P	91.2	Very high	90.2	Very high	24 Å²	24	44 Å²	44	16%	0.156	22%	0.218	C	C	.	.			trans	-67.8	152.3	174.1	31	-35.6	0	0	0	110.6	L219 V222 R253	L219-P250 WeakPolarHBondContact O-CD 3.49Å; V222-P250 WeakPolarHBondContact O-CG 3.21Å; P250-R253 HydrophobicContact CG-CB 4.48Å; P250-R253 WeakPolarHBondContact O-CD 3.44Å; P250-R253 WeakPolarHBondContact O-CG 3.3Å; P250-R253 PolarHBondContact O-NH1 3.15Å
251	D	86.4	Confident	89.6	Confident	146 Å²	146	39.6 Å²	39.6	78%	0.781	20%	0.196	S	C	*	.	S	Bend	trans	-68.2	-39.4	176.5	-57.8	-57.9	0	0	0	111.5	R253	D251-R253 VanDerWaalsContact C-N 3.29Å; D251-R253 PolarHBondContact O-N 3.45Å
252	T	89.8	Confident	89.2	Confident	134 Å²	134	40.7 Å²	40.7	82%	0.822	20%	0.202	S	C	*	.	S	Bend	trans	-79.1	70	176.2	43.1	0	0	0	0	112.2
253	R	92.9	Very high	88.6	Confident	39 Å²	39	43.4 Å²	43.4	15%	0.147	22%	0.22	C	C	.	.			trans	-131.1	156.9	177.2	64.1	177	-172.7	-82.1	-11.3	111	P250 D251 T255 G273	P250-R253 HydrophobicContact CG-CB 4.48Å; P250-R253 WeakPolarHBondContact O-CD 3.44Å; P250-R253 WeakPolarHBondContact O-CG 3.3Å; P250-R253 PolarHBondContact O-NH1 3.15Å; D251-R253 VanDerWaalsContact C-N 3.29Å; D251-R253 PolarHBondContact O-N 3.45Å; R253-T255 PolarHBondContact NE-OG1 3.03Å; R253-T255 VanDerWaalsContact NE-OG1 3.09Å; R253-G273 PolarHBondContact NH2-O 3.41Å
254	Q	95.3	Very high	88.3	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.8	166	-172.2	178.4	12.5	0	0	109.8	I111 G114 K115 D116 E223 Y224 V225 L256	I111-Q254 PolarHBondContact O-NE2 3.36Å; G114-Q254 PolarHBondContact O-NE2 3.13Å; K115-Q254 PolarHBondContact O-NE2 2.98Å; D116-Q254 WeakPolarHBondContact OD1-CA 3.48Å; E223-Q254 PolarHBondContact O-N 2.92Å; Y224-Q254 CarbonylContact C-O 3.58Å; Y224-Q254 WeakPolarHBondContact CA-O 3.33Å; Y224-Q254 HydrophobicContact CD2-CB 4.27Å; Y224-Q254 HydrophobicContact CD2-CG 4.42Å; V225-Q254 PolarHBondContact N-O 3.06Å; Q254-L256 HydrophobicContact CG-CD2 4.27Å
255	T	95.3	Very high	87.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.6	-171.9	-52.6	0	0	0	0	111.3	D116 V117 V225 F227 R253 L274	D116-T255 WeakPolarHBondContact CA-O 3.29Å; D116-T255 WeakPolarHBondContact CB-O 3.39Å; D116-T255 VanDerWaalsContact CG-O 3.28Å; D116-T255 PolarHBondContact OD1-N 2.96Å; V117-T255 PolarHBondContact N-O 2.84Å; V225-T255 HydrophobicContact CB-CG2 4.49Å; F227-T255 HydrophobicContact CD2-CG2 4.19Å; F227-T255 HydrophobicContact CE2-CG2 3.63Å; R253-T255 PolarHBondContact NE-OG1 3.03Å; R253-T255 VanDerWaalsContact NE-OG1 3.09Å; T255-L274 HydrophobicContact CG2-CD1 3.61Å; T255-L274 HydrophobicContact CG2-CG 3.75Å
256	L	96.2	Very high	87.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.4	-177.6	-48.4	-176.2	0	0	0	111.3	I111 V117 F131 Y224 V225 V226 F227 Q254 F258	I111-L256 HydrophobicContact CD1-CD1 3.81Å; I111-L256 HydrophobicContact CG1-CD1 4Å; I111-L256 HydrophobicContact CG1-CD2 4Å; I111-L256 HydrophobicContact CG2-CD1 3.74Å; I111-L256 HydrophobicContact CG2-CD2 4.23Å; V117-L256 HydrophobicContact CB-CD2 3.97Å; V117-L256 HydrophobicContact CG2-CD2 4.12Å; F131-L256 HydrophobicContact CB-CD1 4.09Å; Y224-L256 HydrophobicContact CE1-CD1 4.1Å; Y224-L256 HydrophobicContact CE2-CD1 3.99Å; Y224-L256 VanDerWaalsContact CZ-CD1 3.49Å; Y224-L256 WeakPolarHBondContact OH-CD1 3.34Å; V225-L256 PolarHBondContact O-N 3.2Å; V226-L256 WeakPolarHBondContact CA-O 3.45Å; V226-L256 HydrophobicContact CG2-CB 4.44Å; V226-L256 HydrophobicContact CG2-CD1 4.36Å; F227-L256 PolarHBondContact N-O 3.36Å; Q254-L256 HydrophobicContact CG-CD2 4.27Å; L256-F258 HydrophobicContact CB-CD2 4.31Å; L256-F258 HydrophobicContact CB-CE2 3.99Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å
257	L	94.4	Very high	87.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.3	-175.7	-169.7	172.4	0	0	0	109	V117 V118 A119 A230 L266 F269 A270 L274	V117-L257 PolarHBondContact O-N 2.85Å; V118-L257 CarbonylContact C-O 3.58Å; V118-L257 WeakPolarHBondContact CA-O 3.48Å; V118-L257 HydrophobicContact CG1-CD2 4.39Å; V118-L257 HydrophobicContact CG2-CB 4.32Å; V118-L257 HydrophobicContact CG2-CD1 4.36Å; A119-L257 PolarHBondContact N-O 3.47Å; A230-L257 HydrophobicContact CB-CD2 3.54Å; A230-L257 HydrophobicContact CB-CG 3.89Å; L257-L266 HydrophobicContact CD1-CD1 3.85Å; L257-L266 HydrophobicContact CD1-CG 4.4Å; L257-L266 HydrophobicContact CD2-CD1 4.13Å; L257-L266 HydrophobicContact CD2-CD2 4.19Å; L257-L266 HydrophobicContact CD2-CG 4.29Å; L257-L266 HydrophobicContact CG-CD1 4.3Å; L257-F269 HydrophobicContact CD1-CD1 4.14Å; L257-F269 HydrophobicContact CD1-CE1 4.35Å; L257-A270 HydrophobicContact CD1-CB 3.88Å; L257-L274 HydrophobicContact CB-CD2 4.19Å
258	F	93	Very high	87.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.6	-179.6	-80.1	-96.3	0	0	0	110.4	I103 T107 I111 A119 K127 A130 F131 V226 F227 E229 A230 L256	I103-F258 HydrophobicContact CG1-CE1 4.49Å; T107-F258 HydrophobicContact CG2-CE1 4.4Å; T107-F258 HydrophobicContact CG2-CZ 4.46Å; I111-F258 HydrophobicContact CD1-CZ 4.28Å; A119-F258 HydrophobicContact CB-CD1 3.53Å; A119-F258 HydrophobicContact CB-CD2 4.45Å; A119-F258 HydrophobicContact CB-CE1 3.48Å; A119-F258 VanDerWaalsContact CB-CE1 3.48Å; A119-F258 HydrophobicContact CB-CE2 4.39Å; A119-F258 HydrophobicContact CB-CG 4.06Å; A119-F258 HydrophobicContact CB-CZ 3.93Å; K127-F258 HydrophobicContact CB-CD1 3.96Å; K127-F258 HydrophobicContact CB-CE1 4.46Å; K127-F258 HydrophobicContact CD-CB 4.3Å; K127-F258 HydrophobicContact CD-CD1 4Å; K127-F258 HydrophobicContact CG-CD1 4.02Å; A130-F258 HydrophobicContact CB-CE1 4.17Å; A130-F258 HydrophobicContact CB-CZ 4.36Å; F131-F258 HydrophobicContact CB-CD2 4.38Å; F131-F258 HydrophobicContact CB-CE2 3.7Å; F131-F258 HydrophobicContact CB-CZ 4.07Å; F131-F258 HydrophobicContact CD1-CD1 4.36Å; F131-F258 AromaticContact CD1-CD2 3.71Å; F131-F258 HydrophobicContact CD1-CD2 3.71Å; F131-F258 HydrophobicContact CD1-CE1 4.41Å; F131-F258 AromaticContact CD1-CE2 3.78Å; F131-F258 HydrophobicContact CD1-CE2 3.78Å; F131-F258 HydrophobicContact CD1-CG 4.02Å; F131-F258 HydrophobicContact CD1-CZ 4.13Å; F131-F258 HydrophobicContact CE1-CD2 4.45Å; F131-F258 HydrophobicContact CE1-CG 4.47Å; F131-F258 HydrophobicContact CG-CD2 4.46Å; F131-F258 HydrophobicContact CG-CE2 4.22Å; V226-F258 HydrophobicContact CG1-CD2 4.35Å; F227-F258 PolarHBondContact O-N 3.19Å; E229-F258 WeakPolarHBondContact CA-O 3.49Å; E229-F258 PolarHBondContact N-O 3.29Å; A230-F258 PolarHBondContact N-O 3.46Å; L256-F258 HydrophobicContact CB-CD2 4.31Å; L256-F258 HydrophobicContact CB-CE2 3.99Å; L256-F258 HydrophobicContact CD1-CE2 4.27Å
259	S	87.9	Confident	86.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.3	-173.6	-159.5	0	0	0	0	112.1	A119 M120 A121 D231 T261	A119-S259 PolarHBondContact O-N 2.91Å; M120-S259 WeakPolarHBondContact CA-O 3.46Å; A121-S259 PolarHBondContact N-O 2.78Å; D231-S259 VanDerWaalsContact CB-OG 3.27Å; D231-S259 WeakPolarHBondContact CB-OG 3.47Å; D231-S259 PolarHBondContact N-OG 3.28Å; D231-S259 VanDerWaalsContact N-OG 3.12Å; D231-S259 PolarHBondContact OD1-OG 3.4Å; D231-S259 PolarHBondContact OD2-OG 3.3Å; S259-T261 VanDerWaalsContact CB-O 3.32Å; S259-T261 WeakPolarHBondContact CB-O 3.47Å; S259-T261 PolarHBondContact OG-N 3.43Å; S259-T261 PolarHBondContact OG-O 3.14Å
260	A	81.3	Confident	86.7	Confident	17 Å²	17	45.3 Å²	45.3	14%	0.14	24%	0.241	C	C	.	.	S	Bend	trans	-85.6	-29.3	165.8	0	0	0	0	0	111.3	D231	D231-A260 WeakPolarHBondContact OD2-CB 3.37Å; D231-A260 PolarHBondContact OD2-N 3.16Å
261	T	74.4	Confident	86.3	Confident	28 Å²	28	54 Å²	54	17%	0.172	27%	0.271	C	S	.	.			trans	-142.7	162.9	-176.5	67.6	0	0	0	0	112.3	D231 S259 K401	D231-T261 WeakPolarHBondContact CB-OG1 3.22Å; D231-T261 WeakPolarHBondContact OD2-CB 3.45Å; D231-T261 PolarHBondContact OD2-N 2.86Å; D231-T261 PolarHBondContact OD2-OG1 3.28Å; S259-T261 VanDerWaalsContact CB-O 3.32Å; S259-T261 WeakPolarHBondContact CB-O 3.47Å; S259-T261 PolarHBondContact OG-N 3.43Å; S259-T261 PolarHBondContact OG-O 3.14Å; T261-K401 HydrophobicContact CG2-CD 4.24Å
262	L	80.7	Confident	86	Confident	50 Å²	50	51.5 Å²	51.5	26%	0.262	27%	0.271	S	S	.	.			trans	-119.6	88.9	172.6	-69.2	177	0	0	0	110.6	V118 M120 L266 V267 L279	V118-L262 HydrophobicContact CG1-CD1 3.98Å; V118-L262 HydrophobicContact CG1-CD2 3.86Å; M120-L262 HydrophobicContact CE-CD1 3.83Å; M120-L262 HydrophobicContact CG-CD1 4Å; M120-L262 HydrophobicContact CG-CG 3.93Å; M120-L262 HydrophobicContact SD-CB 4.33Å; M120-L262 HydrophobicContact SD-CD1 3.61Å; M120-L262 HydrophobicContact SD-CG 3.67Å; L262-L266 HydrophobicContact CD2-CD2 3.87Å; L262-L266 HydrophobicContact CD2-CG 4.04Å; L262-V267 HydrophobicContact CB-CG2 3.95Å; L262-L279 HydrophobicContact CD1-CD1 3.82Å
263	P	76.5	Confident	85.4	Confident	56 Å²	56	45.5 Å²	45.5	36%	0.364	24%	0.236	S	C	.	.			trans	-68.2	156.8	163.8	29.9	-34.6	0	0	0	110.9	L265 L266 V267	P263-L265 VanDerWaalsContact C-N 3.33Å; P263-L265 PolarHBondContact O-N 3.02Å; P263-L266 HydrophobicContact CG-CB 3.85Å; P263-L266 WeakPolarHBondContact O-CB 3.38Å; P263-L266 PolarHBondContact O-N 3.5Å; P263-V267 PolarHBondContact O-N 3.22Å
264	K	79.6	Confident	85.1	Confident	172 Å²	172	44.3 Å²	44.3	75%	0.748	23%	0.232	S	C	*	.	H	α-helix	trans	-49.6	-48.9	-176.5	-67.1	-170.3	175.9	-173.2	0	113.3	L266 V267 E268	K264-L266 PolarHBondContact O-N 3.46Å; K264-L266 VanDerWaalsContact O-N 3.15Å; K264-V267 CarbonylContact O-C 3.56Å; K264-V267 WeakPolarHBondContact O-CA 3.32Å; K264-V267 WeakPolarHBondContact O-CB 3.35Å; K264-V267 PolarHBondContact O-N 3.08Å; K264-E268 WeakPolarHBondContact CB-OE1 3.22Å; K264-E268 WeakPolarHBondContact O-CG 3.42Å; K264-E268 PolarHBondContact O-N 2.93Å
265	L	80.4	Confident	84.7	Confident	92 Å²	92	48.8 Å²	48.8	48%	0.482	26%	0.26	S	S	.	.	H	α-helix	trans	-54.8	-33.9	177.2	-167.1	69.7	0	0	0	113.8	F234 P263 F269	F234-L265 HydrophobicContact CB-CD2 4.37Å; F234-L265 HydrophobicContact CD1-CD2 3.64Å; F234-L265 HydrophobicContact CD1-CG 3.97Å; F234-L265 HydrophobicContact CE1-CD2 4.45Å; F234-L265 HydrophobicContact CE1-CG 4.42Å; F234-L265 HydrophobicContact CG-CD2 4.35Å; P263-L265 VanDerWaalsContact C-N 3.33Å; P263-L265 PolarHBondContact O-N 3.02Å; L265-F269 WeakPolarHBondContact O-CB 3.38Å; L265-F269 PolarHBondContact O-N 2.89Å
266	L	83.9	Confident	84.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-79.5	-28	177	-174.5	59.4	0	0	0	112.1	A230 D231 F234 L257 L262 P263 K264 F269 A270	A230-L266 HydrophobicContact CB-CD1 3.92Å; A230-L266 HydrophobicContact CB-CD2 4.12Å; D231-L266 HydrophobicContact CB-CD2 4.19Å; F234-L266 HydrophobicContact CD2-CD1 3.67Å; F234-L266 HydrophobicContact CE2-CD1 3.58Å; L257-L266 HydrophobicContact CD1-CD1 3.85Å; L257-L266 HydrophobicContact CD1-CG 4.4Å; L257-L266 HydrophobicContact CD2-CD1 4.13Å; L257-L266 HydrophobicContact CD2-CD2 4.19Å; L257-L266 HydrophobicContact CD2-CG 4.29Å; L257-L266 HydrophobicContact CG-CD1 4.3Å; L262-L266 HydrophobicContact CD2-CD2 3.87Å; L262-L266 HydrophobicContact CD2-CG 4.04Å; P263-L266 HydrophobicContact CG-CB 3.85Å; P263-L266 WeakPolarHBondContact O-CB 3.38Å; P263-L266 PolarHBondContact O-N 3.5Å; K264-L266 PolarHBondContact O-N 3.46Å; K264-L266 VanDerWaalsContact O-N 3.15Å; L266-F269 HydrophobicContact CD1-CD1 4.07Å; L266-A270 VanDerWaalsContact O-CB 3.23Å; L266-A270 WeakPolarHBondContact O-CB 3.49Å; L266-A270 PolarHBondContact O-N 3.19Å
267	V	84.7	Confident	84.1	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.291	31%	0.314	S	S	.	.	H	α-helix	trans	-73.2	-40.3	171.8	-180	0	0	0	0	110.8	L262 P263 K264 A270 R271	L262-V267 HydrophobicContact CB-CG2 3.95Å; P263-V267 PolarHBondContact O-N 3.22Å; K264-V267 CarbonylContact O-C 3.56Å; K264-V267 WeakPolarHBondContact O-CA 3.32Å; K264-V267 WeakPolarHBondContact O-CB 3.35Å; K264-V267 PolarHBondContact O-N 3.08Å; V267-A270 PolarHBondContact O-N 2.91Å; V267-R271 WeakPolarHBondContact O-CB 3.36Å; V267-R271 VanDerWaalsContact O-CG 3.31Å; V267-R271 WeakPolarHBondContact O-CG 3.39Å; V267-R271 PolarHBondContact O-N 3.2Å
268	E	85.6	Confident	84	Confident	106 Å²	106	62.1 Å²	62.1	50%	0.495	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-49.1	172.5	-70.8	148	-147.6	0	0	110.8	K264 A270 R271 A272	K264-E268 WeakPolarHBondContact CB-OE1 3.22Å; K264-E268 WeakPolarHBondContact O-CG 3.42Å; K264-E268 PolarHBondContact O-N 2.93Å; E268-A270 PolarHBondContact O-N 2.87Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-A272 WeakPolarHBondContact O-CB 3.21Å; E268-A272 PolarHBondContact O-N 3.02Å
269	F	84.9	Confident	83.9	Confident	20 Å²	20	67.2 Å²	67.2	9%	0.088	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-43.5	172.6	175.7	-99.7	0	0	0	112.9	F227 F234 L242 I246 L257 L265 L266 R271 A272 G273	F227-F269 HydrophobicContact CD1-CZ 4.37Å; F227-F269 HydrophobicContact CD2-CE1 4.31Å; F227-F269 AromaticContact CE1-CZ 3.93Å; F227-F269 HydrophobicContact CE1-CZ 3.93Å; F227-F269 HydrophobicContact CE2-CE1 4.22Å; F227-F269 HydrophobicContact CE2-CZ 4.12Å; F227-F269 HydrophobicContact CZ-CE1 4.34Å; F227-F269 AromaticContact CZ-CZ 3.8Å; F227-F269 HydrophobicContact CZ-CZ 3.8Å; F234-F269 HydrophobicContact CE1-CB 4.46Å; F234-F269 HydrophobicContact CE1-CD2 4.37Å; F234-F269 HydrophobicContact CE1-CG 4.45Å; F234-F269 HydrophobicContact CE2-CB 4.37Å; F234-F269 AromaticContact CE2-CD1 3.9Å; F234-F269 HydrophobicContact CE2-CD1 3.9Å; F234-F269 HydrophobicContact CE2-CD2 4.34Å; F234-F269 HydrophobicContact CE2-CE1 4.15Å; F234-F269 AromaticContact CE2-CG 3.97Å; F234-F269 HydrophobicContact CE2-CG 3.97Å; F234-F269 HydrophobicContact CE2-CZ 4.44Å; F234-F269 HydrophobicContact CZ-CB 3.84Å; F234-F269 AromaticContact CZ-CD1 3.88Å; F234-F269 HydrophobicContact CZ-CD1 3.88Å; F234-F269 AromaticContact CZ-CD2 3.51Å; F234-F269 HydrophobicContact CZ-CD2 3.51Å; F234-F269 HydrophobicContact CZ-CE1 4.23Å; F234-F269 AromaticContact CZ-CE2 3.86Å; F234-F269 HydrophobicContact CZ-CE2 3.86Å; F234-F269 AromaticContact CZ-CG 3.48Å; F234-F269 HydrophobicContact CZ-CG 3.48Å; F234-F269 VanDerWaalsContact CZ-CG 3.48Å; F234-F269 HydrophobicContact CZ-CZ 4.2Å; L242-F269 HydrophobicContact CB-CE2 4.31Å; I246-F269 HydrophobicContact CD1-CE2 3.42Å; I246-F269 VanDerWaalsContact CD1-CE2 3.42Å; I246-F269 HydrophobicContact CD1-CZ 3.56Å; L257-F269 HydrophobicContact CD1-CD1 4.14Å; L257-F269 HydrophobicContact CD1-CE1 4.35Å; L265-F269 WeakPolarHBondContact O-CB 3.38Å; L265-F269 PolarHBondContact O-N 2.89Å; L266-F269 HydrophobicContact CD1-CD1 4.07Å; F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 3.15Å; F269-A272 PolarHBondContact O-N 3.04Å; F269-G273 PolarHBondContact O-N 3.23Å
270	A	85.8	Confident	84	Confident	8 Å²	8	67.9 Å²	67.9	7%	0.066	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-40.1	177.9	0	0	0	0	0	112.2	V118 L257 L266 V267 E268 A272 L274	V118-A270 HydrophobicContact CG2-CB 4.07Å; L257-A270 HydrophobicContact CD1-CB 3.88Å; L266-A270 VanDerWaalsContact O-CB 3.23Å; L266-A270 WeakPolarHBondContact O-CB 3.49Å; L266-A270 PolarHBondContact O-N 3.19Å; V267-A270 PolarHBondContact O-N 2.91Å; E268-A270 PolarHBondContact O-N 2.87Å; A270-A272 VanDerWaalsContact C-N 3.34Å; A270-L274 WeakPolarHBondContact O-CB 3.32Å; A270-L274 PolarHBondContact O-N 3.38Å
271	R	82.8	Confident	84.1	Confident	207 Å²	207	73.9 Å²	73.9	78%	0.781	38%	0.379	S	S	*	.	H	α-helix	trans	-69	-28.5	176.1	-74.1	171.7	173.2	-172.3	-4.1	113.7	V267 E268 F269	V267-R271 WeakPolarHBondContact O-CB 3.36Å; V267-R271 VanDerWaalsContact O-CG 3.31Å; V267-R271 WeakPolarHBondContact O-CG 3.39Å; V267-R271 PolarHBondContact O-N 3.2Å; E268-R271 PolarHBondContact O-N 2.9Å; F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 3.15Å
272	A	80.5	Confident	84.2	Confident	94 Å²	94	74 Å²	74	78%	0.777	38%	0.379	S	S	*	.	H	α-helix	trans	-94.3	-17.4	-178.1	0	0	0	0	0	114.3	E268 F269 A270	E268-A272 WeakPolarHBondContact O-CB 3.21Å; E268-A272 PolarHBondContact O-N 3.02Å; F269-A272 PolarHBondContact O-N 3.04Å; A270-A272 VanDerWaalsContact C-N 3.34Å
273	G	77.5	Confident	83	Confident	8 Å²	8	77 Å²	77	8%	0.082	39%	0.394	C	S	.	.	H	α-helix	trans	-118.5	-11.3	-170.6	0	0	0	0	0	116.8	R253 F269	R253-G273 PolarHBondContact NH2-O 3.41Å; F269-G273 PolarHBondContact O-N 3.23Å
274	L	85.9	Confident	81.8	Confident	13 Å²	13	76.9 Å²	76.9	7%	0.068	39%	0.393	C	S	.	.	S	Bend	trans	-123.1	149.9	-178.2	-72.9	61.6	0	0	0	110.1	D116 V118 T255 L257 A270 P277	D116-L274 HydrophobicContact CB-CB 4.16Å; D116-L274 HydrophobicContact CB-CD2 4.4Å; D116-L274 HydrophobicContact CB-CG 4.38Å; D116-L274 WeakPolarHBondContact OD2-CA 3.42Å; D116-L274 VanDerWaalsContact OD2-CB 3.31Å; D116-L274 WeakPolarHBondContact OD2-CB 3.35Å; V118-L274 HydrophobicContact CG2-CD2 3.72Å; T255-L274 HydrophobicContact CG2-CD1 3.61Å; T255-L274 HydrophobicContact CG2-CG 3.75Å; L257-L274 HydrophobicContact CB-CD2 4.19Å; A270-L274 WeakPolarHBondContact O-CB 3.32Å; A270-L274 PolarHBondContact O-N 3.38Å; L274-P277 HydrophobicContact CB-CB 3.91Å; L274-P277 HydrophobicContact CB-CG 3.92Å; L274-P277 HydrophobicContact CD2-CB 3.73Å; L274-P277 HydrophobicContact CD2-CG 4.31Å; L274-P277 HydrophobicContact CG-CB 4.47Å
275	T	86.8	Confident	80.4	Confident	104 Å²	104	72.2 Å²	72.2	64%	0.638	38%	0.376	S	S	*	.	S	Bend	trans	-100.7	117.5	179.8	-53.3	0	0	0	0	110.5	D116 P277	D116-T275 PolarHBondContact OD2-N 3.2Å; T275-P277 VanDerWaalsContact C-CD 3.49Å
276	E	87.3	Confident	79	Confident	183 Å²	183	70.8 Å²	70.8	86%	0.855	37%	0.371	S	S	*	.	S	Bend	trans	41.2	51.5	-178.3	-58.6	-164.4	144.6	0	0	115.2	V278	E276-V278 PolarHBondContact O-N 3.45Å
277	P	91.6	Very high	77.9	Confident	45 Å²	45	76.4 Å²	76.4	29%	0.292	40%	0.395	S	S	.	.			trans	-68.7	131.6	-167.2	27.2	-36.1	0	0	0	113.9	D116 V118 L274 T275 L279	D116-P277 HydrophobicContact CB-CB 4.07Å; D116-P277 WeakPolarHBondContact O-CA 3.48Å; V118-P277 HydrophobicContact CG2-CB 4.02Å; V118-P277 HydrophobicContact CG2-CG 4.44Å; L274-P277 HydrophobicContact CB-CB 3.91Å; L274-P277 HydrophobicContact CB-CG 3.92Å; L274-P277 HydrophobicContact CD2-CB 3.73Å; L274-P277 HydrophobicContact CD2-CG 4.31Å; L274-P277 HydrophobicContact CG-CB 4.47Å; T275-P277 VanDerWaalsContact C-CD 3.49Å; P277-L279 PolarHBondContact O-N 3.23Å
278	V	92.9	Very high	77.2	Confident	53 Å²	53	74.7 Å²	74.7	32%	0.321	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.1	175.4	-174.1	0	0	0	0	110	V110 K115 D116 V117 V118 E276 I280	V110-V278 HydrophobicContact CG1-CB 3.88Å; V110-V278 HydrophobicContact CG1-CG1 4.11Å; V110-V278 HydrophobicContact CG1-CG2 3.74Å; K115-V278 HydrophobicContact CB-CG2 4.29Å; K115-V278 HydrophobicContact CD-CG2 4.07Å; D116-V278 PolarHBondContact O-N 2.74Å; V117-V278 WeakPolarHBondContact CA-O 3.43Å; V118-V278 PolarHBondContact N-O 3.14Å; E276-V278 PolarHBondContact O-N 3.45Å; V278-I280 HydrophobicContact CG1-CD1 4.43Å; V278-I280 HydrophobicContact CG1-CG1 4.02Å; V278-I280 PolarHBondContact O-N 3.09Å
279	L	91.1	Very high	76.6	Confident	108 Å²	108	71.8 Å²	71.8	57%	0.565	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	98.8	178.2	-177.2	61.2	0	0	0	111.2	V118 M120 L262 P277 R281	V118-L279 HydrophobicContact CB-CD1 3.91Å; V118-L279 HydrophobicContact CG1-CD1 3.58Å; M120-L279 HydrophobicContact CE-CD1 4.18Å; L262-L279 HydrophobicContact CD1-CD1 3.82Å; P277-L279 PolarHBondContact O-N 3.23Å; L279-R281 PolarHBondContact O-N 3.41Å
280	I	89.3	Confident	76.1	Confident	14 Å²	14	76.7 Å²	76.7	7%	0.072	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	92.4	177	-61.1	-179.2	0	0	0	109.5	I103 K106 T107 V110 V117 V118 M120 V278	I103-I280 HydrophobicContact CD1-CG2 4.1Å; K106-I280 HydrophobicContact CB-CG2 3.75Å; K106-I280 HydrophobicContact CD-CG2 3.98Å; T107-I280 HydrophobicContact CG2-CB 4.3Å; T107-I280 HydrophobicContact CG2-CD1 3.84Å; T107-I280 HydrophobicContact CG2-CG2 3.94Å; V110-I280 HydrophobicContact CB-CD1 4.23Å; V110-I280 HydrophobicContact CG1-CD1 4.46Å; V110-I280 HydrophobicContact CG2-CD1 4.09Å; V117-I280 HydrophobicContact CG1-CB 4.36Å; V117-I280 HydrophobicContact CG1-CD1 3.83Å; V117-I280 HydrophobicContact CG1-CG1 4.1Å; V118-I280 PolarHBondContact O-N 3.3Å; M120-I280 PolarHBondContact N-O 3.04Å; V278-I280 HydrophobicContact CG1-CD1 4.43Å; V278-I280 HydrophobicContact CG1-CG1 4.02Å; V278-I280 PolarHBondContact O-N 3.09Å
281	R	84.3	Confident	75.9	Confident	143 Å²	143	80.9 Å²	80.9	54%	0.54	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114.9	160.5	-166	165.1	-179.5	150.7	1.5	108.4	K106 M120 L279 D283	K106-R281 PolarHBondContact NZ-O 2.89Å; K106-R281 VanDerWaalsContact NZ-O 3.07Å; M120-R281 HydrophobicContact CE-CB 3.93Å; M120-R281 HydrophobicContact CE-CG 3.82Å; L279-R281 PolarHBondContact O-N 3.41Å; R281-D283 IonicContact NE-OD1 3.72Å; R281-D283 PolarHBondContact NE-OD1 3.32Å
282	L	76.1	Confident	76.2	Confident	31 Å²	31	71.4 Å²	71.4	16%	0.162	39%	0.386	C	S	.	.			trans	-74.7	137.3	136.5	-75.9	-175.4	0	0	0	106.3	P102 I103 K106 M120 A121 V284	P102-L282 HydrophobicContact CB-CD1 4.15Å; P102-L282 HydrophobicContact CB-CD2 3.82Å; I103-L282 HydrophobicContact CB-CD1 3.72Å; I103-L282 HydrophobicContact CB-CG 4.35Å; I103-L282 HydrophobicContact CD1-CD1 4.16Å; I103-L282 HydrophobicContact CD1-CG 3.96Å; I103-L282 HydrophobicContact CG1-CD1 4.49Å; K106-L282 HydrophobicContact CD-CD2 4.07Å; M120-L282 PolarHBondContact O-N 3.44Å; A121-L282 HydrophobicContact CB-CD1 4.31Å; L282-V284 VanDerWaalsContact C-N 3.32Å; L282-V284 PolarHBondContact O-N 3.37Å
283	D	56.7	Low	76.6	Confident	111 Å²	111	71.3 Å²	71.3	59%	0.594	37%	0.368	S	S	*	.			trans	-66.3	102.4	169.2	-63.9	-64.4	0	0	0	107.9	R281 D285	R281-D283 IonicContact NE-OD1 3.72Å; R281-D283 PolarHBondContact NE-OD1 3.32Å; D283-D285 PolarHBondContact O-N 3.05Å
284	V	51.1	Low	77.3	Confident	55 Å²	55	71.2 Å²	71.2	33%	0.333	37%	0.366	S	S	.	.			trans	-67.3	86.2	162.1	-177.9	0	0	0	0	104.8	L282 T286	L282-V284 VanDerWaalsContact C-N 3.32Å; L282-V284 PolarHBondContact O-N 3.37Å; V284-T286 PolarHBondContact O-N 3.5Å
285	D	48.6	Very low	77.6	Confident	73 Å²	73	71 Å²	71	39%	0.39	37%	0.365	S	S	.	.			trans	-40.8	114.9	156.5	-86.8	-50.3	0	0	0	107.3	D283 K287	D283-D285 PolarHBondContact O-N 3.05Å; D285-K287 HydrophobicContact CB-CB 4.02Å; D285-K287 HydrophobicContact CB-CD 4.11Å; D285-K287 HydrophobicContact CB-CG 4.06Å; D285-K287 PolarHBondContact O-N 3.1Å; D285-K287 WeakPolarHBondContact OD1-CD 3.37Å; D285-K287 WeakPolarHBondContact OD1-CE 3.48Å; D285-K287 IonicContact OD1-NZ 3.47Å; D285-K287 PolarHBondContact OD1-NZ 2.93Å; D285-K287 IonicContact OD2-NZ 2.71Å
286	T	52.6	Low	78	Confident	62 Å²	62	66 Å²	66	38%	0.38	34%	0.335	S	S	.	.	S	Bend	trans	-64.9	-14.3	169.6	44.2	0	0	0	0	111.2	V284 L288 F437 L438	V284-T286 PolarHBondContact O-N 3.5Å; T286-L288 PolarHBondContact O-N 3.29Å; T286-F437 HydrophobicContact CG2-CE1 4.25Å; T286-F437 HydrophobicContact CG2-CE2 4.39Å; T286-F437 HydrophobicContact CG2-CZ 3.94Å; T286-L438 WeakPolarHBondContact O-CD2 3.45Å
287	K	60.1	Low	78.3	Confident	118 Å²	118	57.3 Å²	57.3	51%	0.513	29%	0.294	S	S	.	.	S	Bend	trans	-49.4	119.9	166.1	-47.9	172	-173.2	141.6	0	109.6	D285	D285-K287 HydrophobicContact CB-CB 4.02Å; D285-K287 HydrophobicContact CB-CD 4.11Å; D285-K287 HydrophobicContact CB-CG 4.06Å; D285-K287 PolarHBondContact O-N 3.1Å; D285-K287 WeakPolarHBondContact OD1-CD 3.37Å; D285-K287 WeakPolarHBondContact OD1-CE 3.48Å; D285-K287 IonicContact OD1-NZ 3.47Å; D285-K287 PolarHBondContact OD1-NZ 2.93Å; D285-K287 IonicContact OD2-NZ 2.71Å
288	L	70.1	Confident	78.4	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.063	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-52.4	153.9	157.1	-163.8	72.7	0	0	0	109.1	T286 D290 I292 L294 L404 V407	T286-L288 PolarHBondContact O-N 3.29Å; L288-D290 PolarHBondContact O-N 2.91Å; L288-I292 HydrophobicContact CD1-CD1 4.04Å; L288-I292 HydrophobicContact CD2-CB 3.81Å; L288-I292 HydrophobicContact CD2-CG2 3.84Å; L288-I292 HydrophobicContact CG-CB 4.04Å; L288-I292 HydrophobicContact CG-CD1 4.11Å; L288-I292 HydrophobicContact CG-CG2 4.36Å; L288-L294 HydrophobicContact CD2-CD1 3.9Å; L288-L294 HydrophobicContact CD2-CD2 3.59Å; L288-L294 HydrophobicContact CD2-CG 3.62Å; L288-L404 HydrophobicContact CD1-CD1 3.75Å; L288-V407 HydrophobicContact CD1-CG1 3.89Å
289	S	72.3	Confident	78.4	Confident	45 Å²	45	54.1 Å²	54.1	32%	0.315	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.8	126.8	168.1	-175.7	0	0	0	0	108.3	Q291 I292	S289-Q291 PolarHBondContact O-N 3.23Å; S289-I292 WeakPolarHBondContact O-CB 3.38Å; S289-I292 PolarHBondContact O-N 3.4Å
290	D	75.1	Confident	78.5	Confident	123 Å²	123	56.3 Å²	56.3	66%	0.658	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-2	179.7	-50.2	-69.7	0	0	0	113	L288 I292 R440	L288-D290 PolarHBondContact O-N 2.91Å; D290-I292 VanDerWaalsContact C-N 3.31Å; D290-R440 IonicContact OD1-NH2 3.93Å; D290-R440 PolarHBondContact OD1-NH2 3.22Å
291	Q	81.7	Confident	78.6	Confident	97 Å²	97	58.7 Å²	58.7	45%	0.453	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.8	166.8	-61.8	-62.3	-52.9	0	0	113.6	S289 S416 G417	S289-Q291 PolarHBondContact O-N 3.23Å; Q291-S416 WeakPolarHBondContact O-CA 3.32Å; Q291-S416 WeakPolarHBondContact O-CB 3.11Å; Q291-G417 PolarHBondContact O-N 3.47Å
292	I	87.8	Confident	78.9	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.7	-179.1	-59.5	170.9	0	0	0	109.4	L288 S289 D290 L294 V407 V410 G417 A419	L288-I292 HydrophobicContact CD1-CD1 4.04Å; L288-I292 HydrophobicContact CD2-CB 3.81Å; L288-I292 HydrophobicContact CD2-CG2 3.84Å; L288-I292 HydrophobicContact CG-CB 4.04Å; L288-I292 HydrophobicContact CG-CD1 4.11Å; L288-I292 HydrophobicContact CG-CG2 4.36Å; S289-I292 WeakPolarHBondContact O-CB 3.38Å; S289-I292 PolarHBondContact O-N 3.4Å; D290-I292 VanDerWaalsContact C-N 3.31Å; I292-L294 HydrophobicContact CG2-CD2 4.2Å; I292-V407 HydrophobicContact CD1-CG1 4.27Å; I292-V407 HydrophobicContact CG2-CG1 3.63Å; I292-V410 HydrophobicContact CD1-CG2 4.21Å; I292-V410 HydrophobicContact CG1-CG2 4.16Å; I292-V410 HydrophobicContact CG2-CG2 3.88Å; I292-G417 WeakPolarHBondContact CA-O 3.4Å; I292-A419 HydrophobicContact CG2-CB 4.47Å
293	K	89.5	Confident	79.8	Confident	92 Å²	92	57.6 Å²	57.6	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.9	170	-68.6	-170.7	177.5	-174.3	0	110.2	G417 T418 A419 D452	K293-G417 PolarHBondContact N-O 3.29Å; K293-T418 HydrophobicContact CB-CG2 4.21Å; K293-T418 CarbonylContact O-C 3.59Å; K293-T418 WeakPolarHBondContact O-CA 3.4Å; K293-A419 PolarHBondContact O-N 3.12Å; K293-D452 IonicContact NZ-OD1 2.67Å; K293-D452 PolarHBondContact NZ-OD1 3.33Å
294	L	91.6	Very high	81.6	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.1	171.2	-62.1	-170	0	0	0	110.9	L288 I292 F296 F403 V407 A419 D454 G455	L288-L294 HydrophobicContact CD2-CD1 3.9Å; L288-L294 HydrophobicContact CD2-CD2 3.59Å; L288-L294 HydrophobicContact CD2-CG 3.62Å; I292-L294 HydrophobicContact CG2-CD2 4.2Å; L294-F296 HydrophobicContact CB-CE2 3.98Å; L294-F296 HydrophobicContact CB-CZ 4.38Å; L294-F296 HydrophobicContact CD1-CE2 4.13Å; L294-F296 HydrophobicContact CD1-CZ 3.96Å; L294-F403 HydrophobicContact CD1-CE1 4.17Å; L294-F403 HydrophobicContact CD1-CZ 4.29Å; L294-F403 HydrophobicContact CD2-CE1 3.98Å; L294-F403 HydrophobicContact CD2-CZ 3.9Å; L294-V407 HydrophobicContact CD2-CG1 4.14Å; L294-A419 HydrophobicContact CD2-CB 3.79Å; L294-D454 PolarHBondContact N-OD1 3.09Å; L294-G455 PolarHBondContact O-N 2.87Å; L294-G455 VanDerWaalsContact O-N 3.09Å
295	S	92.8	Very high	83.7	Confident	8 Å²	8	50.3 Å²	50.3	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.5	171.4	-60.2	0	0	0	0	110.4	A419 Y420 S421 L524	S295-A419 PolarHBondContact N-O 2.88Å; S295-Y420 CarbonylContact O-C 3.51Å; S295-S421 PolarHBondContact O-N 3.47Å; S295-L524 WeakPolarHBondContact OG-CD1 3.27Å
296	F	94.6	Very high	85.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.5	-178.1	-54.6	-92.9	0	0	0	110.1	L294 F396 F403 S421 V423 V431 L434 H435 V456 F457 G458 H522	L294-F296 HydrophobicContact CB-CE2 3.98Å; L294-F296 HydrophobicContact CB-CZ 4.38Å; L294-F296 HydrophobicContact CD1-CE2 4.13Å; L294-F296 HydrophobicContact CD1-CZ 3.96Å; F296-F396 HydrophobicContact CD1-CE2 4.08Å; F296-F396 AromaticContact CE1-CE2 3.88Å; F296-F396 HydrophobicContact CE1-CE2 3.88Å; F296-F396 HydrophobicContact CE1-CZ 4.25Å; F296-F403 HydrophobicContact CE1-CE2 4.07Å; F296-F403 HydrophobicContact CE1-CZ 4.07Å; F296-F403 HydrophobicContact CZ-CZ 4.13Å; F296-S421 WeakPolarHBondContact CA-O 3.45Å; F296-V423 HydrophobicContact CB-CG2 4.48Å; F296-V423 HydrophobicContact CD1-CG2 4.33Å; F296-V431 HydrophobicContact CD1-CG1 4.36Å; F296-V431 HydrophobicContact CE1-CG1 4.4Å; F296-L434 HydrophobicContact CE1-CD2 4Å; F296-L434 HydrophobicContact CZ-CD2 3.98Å; F296-H435 AromaticContact CE2-CE1 3.7Å; F296-H435 AromaticContact CZ-CE1 3.74Å; F296-V456 PolarHBondContact N-O 3.43Å; F296-F457 HydrophobicContact CB-CB 3.97Å; F296-F457 HydrophobicContact CB-CD2 3.51Å; F296-F457 HydrophobicContact CB-CE2 4.18Å; F296-F457 HydrophobicContact CB-CG 3.88Å; F296-F457 WeakPolarHBondContact O-CA 3.36Å; F296-F457 WeakPolarHBondContact O-CD2 3.48Å; F296-G458 PolarHBondContact O-N 3.29Å; F296-H522 PolarHBondContact O-CD2 3.01Å; F296-H522 VanDerWaalsContact O-CD2 3.28Å
297	F	94.6	Very high	88	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	-178.6	-59.4	-68.1	0	0	0	110.2	L299 L307 L311 Y420 S421 V423 G458 V460 H522 L525	F297-L299 HydrophobicContact CB-CD2 4.23Å; F297-L299 VanDerWaalsContact O-CD2 3.23Å; F297-L299 WeakPolarHBondContact O-CD2 3.34Å; F297-L307 HydrophobicContact CB-CD2 3.7Å; F297-L307 HydrophobicContact CD2-CD2 4.08Å; F297-L307 HydrophobicContact CG-CD2 3.99Å; F297-L311 HydrophobicContact CD2-CD1 4.34Å; F297-L311 HydrophobicContact CE2-CD1 4.06Å; F297-L311 HydrophobicContact CE2-CD2 3.94Å; F297-L311 HydrophobicContact CZ-CD2 4.09Å; F297-Y420 AromaticContact CE2-CD1 3.86Å; F297-Y420 HydrophobicContact CE2-CD1 3.86Å; F297-Y420 HydrophobicContact CE2-CG 4.35Å; F297-Y420 HydrophobicContact CZ-CD1 4.18Å; F297-S421 PolarHBondContact N-O 2.92Å; F297-V423 PolarHBondContact O-N 3.01Å; F297-G458 CarbonylContact C-O 3.58Å; F297-G458 WeakPolarHBondContact CA-O 3.25Å; F297-V460 HydrophobicContact CB-CG2 3.94Å; F297-H522 HydrophobicContact CD1-CB 3.89Å; F297-H522 AromaticContact CD1-CG 3.8Å; F297-H522 HydrophobicContact CE1-CB 3.87Å; F297-H522 AromaticContact CE1-CE1 3.94Å; F297-H522 AromaticContact CE1-CG 3.5Å; F297-H522 VanDerWaalsContact CE1-CG 3.5Å; F297-H522 AromaticContact CE1-ND1 3.44Å; F297-H522 WeakPolarHBondContact CE1-ND1 3.37Å; F297-L525 HydrophobicContact CD1-CD1 3.8Å; F297-L525 HydrophobicContact CD1-CG 4.48Å; F297-L525 HydrophobicContact CE1-CD1 3.68Å; F297-L525 HydrophobicContact CE1-CD2 4.49Å; F297-L525 HydrophobicContact CE1-CG 3.87Å
298	H	93.6	Very high	89.7	Confident	25 Å²	25	38.5 Å²	38.5	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.8	174.8	-172.2	63.3	0	0	0	111.8	V423 F457 G458 V460 V516 M519	H298-V423 PolarHBondContact ND1-O 2.91Å; H298-V423 VanDerWaalsContact ND1-O 3.11Å; H298-F457 HydrophobicContact CB-CD2 4.44Å; H298-F457 HydrophobicContact CB-CE2 3.7Å; H298-F457 HydrophobicContact CB-CZ 4.27Å; H298-G458 PolarHBondContact N-O 3.04Å; H298-V460 PolarHBondContact O-N 2.96Å; H298-V516 WeakPolarHBondContact NE2-CG1 3.41Å; H298-M519 HydrophobicContact CB-CE 3.3Å; H298-M519 HydrophobicContact CB-SD 4.45Å
299	L	93.6	Very high	90.8	Very high	7 Å²	7	38 Å²	38	4%	0.037	19%	0.191	C	C	.	.			trans	-159.4	167.7	-173.3	65.2	168.5	0	0	0	110.6	F297 D303 K304 L307 M422 C424 V460	F297-L299 HydrophobicContact CB-CD2 4.23Å; F297-L299 VanDerWaalsContact O-CD2 3.23Å; F297-L299 WeakPolarHBondContact O-CD2 3.34Å; L299-D303 HydrophobicContact CB-CB 3.91Å; L299-D303 HydrophobicContact CD1-CB 3.91Å; L299-D303 HydrophobicContact CG-CB 4.31Å; L299-K304 HydrophobicContact CD1-CB 4.46Å; L299-K304 HydrophobicContact CD1-CG 3.96Å; L299-K304 HydrophobicContact CG-CG 4.34Å; L299-L307 HydrophobicContact CD1-CB 3.74Å; L299-L307 HydrophobicContact CD1-CD2 3.57Å; L299-L307 HydrophobicContact CD1-CG 4.3Å; L299-L307 HydrophobicContact CD2-CD2 4Å; L299-L307 HydrophobicContact CG-CD2 4.43Å; L299-M422 HydrophobicContact CD2-CB 4.06Å; L299-C424 WeakPolarHBondContact O-CA 3.36Å; L299-C424 PolarHBondContact O-SG 3.15Å; L299-C424 VanDerWaalsContact O-SG 3.33Å; L299-V460 HydrophobicContact CB-CG2 4.08Å
300	R	92.6	Very high	91.8	Very high	154 Å²	154	37.2 Å²	37.2	58%	0.581	18%	0.182	S	C	*	.			trans	-75.8	173.2	172.1	-55	170.8	175.1	161.4	1.3	110.7	D302 D303 C424	R300-D302 VanDerWaalsContact C-N 3.34Å; R300-D303 HydrophobicContact CB-CB 4.39Å; R300-D303 VanDerWaalsContact CB-OD2 3.3Å; R300-D303 WeakPolarHBondContact CB-OD2 3.2Å; R300-D303 WeakPolarHBondContact CG-OD2 3.45Å; R300-D303 PolarHBondContact N-OD2 3.5Å; R300-C424 PolarHBondContact O-SG 2.84Å; R300-C424 VanDerWaalsContact O-SG 3.34Å
301	V	91.4	Very high	92.7	Very high	64 Å²	64	31.3 Å²	31.3	39%	0.388	15%	0.151	S	C	.	.	S	Bend	trans	-68.3	-41.2	178.1	-179.1	0	0	0	0	110.1	D303 K304 C424 Y493	V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 PolarHBondContact O-N 3.43Å; V301-K304 WeakPolarHBondContact O-CB 3.4Å; V301-K304 WeakPolarHBondContact O-CG 3.35Å; V301-K304 PolarHBondContact O-N 2.97Å; V301-C424 VanDerWaalsContact CA-SG 3.59Å; V301-C424 HydrophobicContact CG2-CB 4.19Å; V301-C424 PolarHBondContact N-SG 3.44Å; V301-C424 VanDerWaalsContact N-SG 3.4Å; V301-Y493 HydrophobicContact CG1-CE1 4.45Å
302	D	91.3	Very high	93.2	Very high	125 Å²	125	27.8 Å²	27.8	67%	0.668	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.5	-176.2	-36.5	-57.6	0	0	0	111.8	R300 K304 P305	R300-D302 VanDerWaalsContact C-N 3.34Å; D302-K304 VanDerWaalsContact C-N 3.27Å; D302-K304 PolarHBondContact O-N 3.34Å; D302-P305 VanDerWaalsContact O-CD 3.24Å; D302-P305 WeakPolarHBondContact O-CD 3.49Å
303	D	93.8	Very high	93.4	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.6	176.1	-54.9	-7.9	0	0	0	113	L299 R300 V301 A306 L307 L465	L299-D303 HydrophobicContact CB-CB 3.91Å; L299-D303 HydrophobicContact CD1-CB 3.91Å; L299-D303 HydrophobicContact CG-CB 4.31Å; R300-D303 HydrophobicContact CB-CB 4.39Å; R300-D303 VanDerWaalsContact CB-OD2 3.3Å; R300-D303 WeakPolarHBondContact CB-OD2 3.2Å; R300-D303 WeakPolarHBondContact CG-OD2 3.45Å; R300-D303 PolarHBondContact N-OD2 3.5Å; V301-D303 VanDerWaalsContact C-N 3.3Å; V301-D303 PolarHBondContact O-N 3.43Å; D303-A306 PolarHBondContact O-N 3.36Å; D303-L307 PolarHBondContact O-N 2.99Å; D303-L307 VanDerWaalsContact O-N 3.14Å; D303-L465 HydrophobicContact CB-CD1 4.02Å; D303-L465 HydrophobicContact CB-CD2 4.1Å
304	K	95.1	Very high	93.3	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-39.8	-169.9	-69.8	-162.9	178.6	-160.9	0	115.2	L299 V301 D302 A306 L308 Y394 M422 C424 E427	L299-K304 HydrophobicContact CD1-CB 4.46Å; L299-K304 HydrophobicContact CD1-CG 3.96Å; L299-K304 HydrophobicContact CG-CG 4.34Å; V301-K304 WeakPolarHBondContact O-CB 3.4Å; V301-K304 WeakPolarHBondContact O-CG 3.35Å; V301-K304 PolarHBondContact O-N 2.97Å; D302-K304 VanDerWaalsContact C-N 3.27Å; D302-K304 PolarHBondContact O-N 3.34Å; K304-A306 VanDerWaalsContact C-N 3.33Å; K304-L308 WeakPolarHBondContact O-CB 3.45Å; K304-L308 PolarHBondContact O-N 3.31Å; K304-Y394 HydrophobicContact CB-CD2 4.39Å; K304-Y394 HydrophobicContact CB-CE1 4.43Å; K304-Y394 HydrophobicContact CB-CE2 3.63Å; K304-Y394 HydrophobicContact CD-CE1 4.33Å; K304-Y394 WeakPolarHBondContact CD-O 3.33Å; K304-Y394 PolarHBondContact NZ-O 2.67Å; K304-M422 HydrophobicContact CB-SD 4.24Å; K304-M422 HydrophobicContact CD-CB 4.33Å; K304-M422 HydrophobicContact CD-SD 4.47Å; K304-M422 HydrophobicContact CG-SD 4.37Å; K304-C424 WeakPolarHBondContact CE-SG 3.42Å; K304-E427 VanDerWaalsContact NZ-CD 3.35Å; K304-E427 IonicContact NZ-OE1 2.73Å; K304-E427 PolarHBondContact NZ-OE1 3.36Å; K304-E427 IonicContact NZ-OE2 3.59Å; K304-E427 PolarHBondContact NZ-OE2 2.83Å
305	P	95.2	Very high	93	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.078	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-38	176.3	-19.3	32.5	0	0	0	112.1	D302 L308 L309 Y334 L338 L472	D302-P305 VanDerWaalsContact O-CD 3.24Å; D302-P305 WeakPolarHBondContact O-CD 3.49Å; P305-L308 WeakPolarHBondContact O-CB 3.43Å; P305-L308 PolarHBondContact O-N 2.99Å; P305-L309 WeakPolarHBondContact O-CB 3.4Å; P305-L309 PolarHBondContact O-N 3.05Å; P305-Y334 HydrophobicContact CG-CE1 4.47Å; P305-L338 HydrophobicContact CB-CD2 3.8Å; P305-L472 HydrophobicContact CB-CD1 3.97Å; P305-L472 HydrophobicContact CB-CD2 4.37Å
306	A	95.1	Very high	92.6	Very high	4 Å²	4	33 Å²	33	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-48.2	177.9	0	0	0	0	0	111.4	D303 K304 L308 L309 H310 L465 E468 L472	D303-A306 PolarHBondContact O-N 3.36Å; K304-A306 VanDerWaalsContact C-N 3.33Å; A306-L308 VanDerWaalsContact C-N 3.31Å; A306-L308 PolarHBondContact O-N 2.89Å; A306-L309 PolarHBondContact O-N 2.92Å; A306-H310 PolarHBondContact O-N 2.84Å; A306-L465 HydrophobicContact CB-CD2 3.8Å; A306-E468 HydrophobicContact CB-CB 4.16Å; A306-L472 VanDerWaalsContact CA-CD1 3.44Å; A306-L472 HydrophobicContact CB-CD1 3.72Å; A306-L472 VanDerWaalsContact N-CD1 3.34Å
307	L	95.4	Very high	92.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-35.7	174.2	-177.2	65.8	0	0	0	112.2	F297 L299 D303 L309 L311 M422 V460 L465 L525	F297-L307 HydrophobicContact CB-CD2 3.7Å; F297-L307 HydrophobicContact CD2-CD2 4.08Å; F297-L307 HydrophobicContact CG-CD2 3.99Å; L299-L307 HydrophobicContact CD1-CB 3.74Å; L299-L307 HydrophobicContact CD1-CD2 3.57Å; L299-L307 HydrophobicContact CD1-CG 4.3Å; L299-L307 HydrophobicContact CD2-CD2 4Å; L299-L307 HydrophobicContact CG-CD2 4.43Å; D303-L307 PolarHBondContact O-N 2.99Å; D303-L307 VanDerWaalsContact O-N 3.14Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L311 HydrophobicContact CD1-CD1 4.27Å; L307-L311 HydrophobicContact CD1-CD2 4.49Å; L307-L311 HydrophobicContact CD1-CG 4.01Å; L307-L311 HydrophobicContact CD2-CD1 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.93Å; L307-L311 HydrophobicContact CG-CG 4.12Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 VanDerWaalsContact O-CG 3.22Å; L307-L311 WeakPolarHBondContact O-CG 3.46Å; L307-L311 PolarHBondContact O-N 2.92Å; L307-M422 HydrophobicContact CB-CE 4.29Å; L307-M422 HydrophobicContact CD2-CE 4.18Å; L307-M422 HydrophobicContact CD2-CG 3.94Å; L307-M422 HydrophobicContact CD2-SD 4.45Å; L307-M422 HydrophobicContact CG-CE 4.06Å; L307-V460 HydrophobicContact CD1-CG1 4.04Å; L307-V460 HydrophobicContact CD1-CG2 4.18Å; L307-V460 HydrophobicContact CD2-CG2 3.94Å; L307-L465 HydrophobicContact CB-CD2 4.11Å; L307-L525 HydrophobicContact CD1-CD1 4.36Å
308	L	95.9	Very high	91.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176.1	-176	63.6	0	0	0	111.2	K304 P305 A306 L311 L312 V324 L335 L339 I392 Y394 M422	K304-L308 WeakPolarHBondContact O-CB 3.45Å; K304-L308 PolarHBondContact O-N 3.31Å; P305-L308 WeakPolarHBondContact O-CB 3.43Å; P305-L308 PolarHBondContact O-N 2.99Å; A306-L308 VanDerWaalsContact C-N 3.31Å; A306-L308 PolarHBondContact O-N 2.89Å; L308-L311 PolarHBondContact O-N 2.92Å; L308-L312 HydrophobicContact CD1-CD1 4.03Å; L308-L312 HydrophobicContact CD1-CG 4.32Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.81Å; L308-V324 HydrophobicContact CD1-CG1 3.95Å; L308-V324 HydrophobicContact CD1-CG2 4.1Å; L308-V324 HydrophobicContact CD2-CG1 4.43Å; L308-L335 HydrophobicContact CD2-CD1 4.05Å; L308-L335 HydrophobicContact CD2-CD2 3.86Å; L308-L335 HydrophobicContact CD2-CG 4.41Å; L308-L339 HydrophobicContact CD2-CD1 4.09Å; L308-I392 HydrophobicContact CD1-CD1 4.02Å; L308-I392 HydrophobicContact CD1-CG2 3.97Å; L308-Y394 HydrophobicContact CB-CD2 4.27Å; L308-Y394 HydrophobicContact CB-CE2 4.29Å; L308-Y394 HydrophobicContact CD1-CD2 4.47Å; L308-Y394 HydrophobicContact CD2-CD2 3.94Å; L308-Y394 HydrophobicContact CD2-CE2 4.1Å; L308-Y394 HydrophobicContact CG-CD2 4.46Å; L308-M422 HydrophobicContact CB-CE 3.81Å; L308-M422 HydrophobicContact CD1-CE 4.01Å
309	L	94.1	Very high	91	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-48.5	-179.7	-166.9	54.4	0	0	0	110.7	P305 A306 L307 L311 L312 R313 L339 E342 I344 E468 L472	P305-L309 WeakPolarHBondContact O-CB 3.4Å; P305-L309 PolarHBondContact O-N 3.05Å; A306-L309 PolarHBondContact O-N 2.92Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L309-L311 PolarHBondContact O-N 2.79Å; L309-L312 PolarHBondContact O-N 2.88Å; L309-R313 HydrophobicContact CD1-CG 4.45Å; L309-R313 VanDerWaalsContact CD2-NH1 3.34Å; L309-R313 WeakPolarHBondContact O-CB 3.18Å; L309-R313 WeakPolarHBondContact O-CG 3.29Å; L309-R313 PolarHBondContact O-N 2.81Å; L309-L339 HydrophobicContact CD1-CD2 3.97Å; L309-E342 HydrophobicContact CD1-CB 3.81Å; L309-E342 HydrophobicContact CD1-CG 4.09Å; L309-E342 HydrophobicContact CD2-CB 4.44Å; L309-E342 HydrophobicContact CD2-CG 3.85Å; L309-I344 HydrophobicContact CD1-CD1 3.7Å; L309-E468 HydrophobicContact CD2-CB 4.48Å; L309-E468 WeakPolarHBondContact CD2-OE2 3.37Å; L309-E468 WeakPolarHBondContact CG-OE2 3.45Å; L309-L472 HydrophobicContact CD2-CD2 4.12Å; L309-L472 HydrophobicContact CD2-CG 4.26Å
310	H	93.3	Very high	90.8	Very high	27 Å²	27	49.6 Å²	49.6	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.6	-172	87.1	0	0	0	113	A306 L312 R313 N314 I464 E468	A306-H310 PolarHBondContact O-N 2.84Å; H310-L312 VanDerWaalsContact C-N 3.3Å; H310-L312 PolarHBondContact O-N 2.93Å; H310-R313 PolarHBondContact O-N 3.44Å; H310-N314 PolarHBondContact CE1-ND2 2.86Å; H310-N314 PolarHBondContact ND1-ND2 3.14Å; H310-N314 WeakPolarHBondContact O-CB 3.3Å; H310-N314 PolarHBondContact O-N 2.87Å; H310-I464 HydrophobicContact CB-CG2 4.13Å; H310-E468 WeakPolarHBondContact CA-OE1 3.41Å; H310-E468 HydrophobicContact CB-CG 4.13Å; H310-E468 IonicContact ND1-OE1 2.71Å
311	L	93.5	Very high	90.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-64.5	-34.6	179.2	-75.2	176.5	0	0	0	112.3	F297 L307 L308 L309 V315 A316 I392 Y420 M422	F297-L311 HydrophobicContact CD2-CD1 4.34Å; F297-L311 HydrophobicContact CE2-CD1 4.06Å; F297-L311 HydrophobicContact CE2-CD2 3.94Å; F297-L311 HydrophobicContact CZ-CD2 4.09Å; L307-L311 HydrophobicContact CD1-CD1 4.27Å; L307-L311 HydrophobicContact CD1-CD2 4.49Å; L307-L311 HydrophobicContact CD1-CG 4.01Å; L307-L311 HydrophobicContact CD2-CD1 4.35Å; L307-L311 HydrophobicContact CG-CD1 3.93Å; L307-L311 HydrophobicContact CG-CG 4.12Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 VanDerWaalsContact O-CG 3.22Å; L307-L311 WeakPolarHBondContact O-CG 3.46Å; L307-L311 PolarHBondContact O-N 2.92Å; L308-L311 PolarHBondContact O-N 2.92Å; L309-L311 PolarHBondContact O-N 2.79Å; L311-V315 HydrophobicContact CD2-CB 3.93Å; L311-V315 HydrophobicContact CD2-CG1 4.09Å; L311-V315 HydrophobicContact CD2-CG2 3.92Å; L311-V315 PolarHBondContact O-N 3.31Å; L311-A316 WeakPolarHBondContact O-CB 3.41Å; L311-A316 PolarHBondContact O-N 3.35Å; L311-I392 HydrophobicContact CB-CD1 4.31Å; L311-Y420 HydrophobicContact CD2-CD1 4.47Å; L311-M422 HydrophobicContact CD1-CE 3.82Å
312	L	93.1	Very high	90.9	Very high	22 Å²	22	39.9 Å²	39.9	12%	0.115	20%	0.203	C	C	.	.	I	π-helix	trans	-81.5	-26.8	179	-69.7	176.1	0	0	0	113.6	L308 L309 H310 T322 L339 I344 V372 I392	L308-L312 HydrophobicContact CD1-CD1 4.03Å; L308-L312 HydrophobicContact CD1-CG 4.32Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.81Å; L309-L312 PolarHBondContact O-N 2.88Å; H310-L312 VanDerWaalsContact C-N 3.3Å; H310-L312 PolarHBondContact O-N 2.93Å; L312-T322 HydrophobicContact CD2-CG2 3.92Å; L312-L339 HydrophobicContact CD1-CD1 3.74Å; L312-L339 HydrophobicContact CD1-CD2 3.89Å; L312-I344 HydrophobicContact CB-CD1 4.25Å; L312-V372 HydrophobicContact CD1-CG1 4.24Å; L312-V372 HydrophobicContact CD1-CG2 4.29Å; L312-V372 HydrophobicContact CD2-CG1 4.31Å; L312-V372 HydrophobicContact CD2-CG2 3.8Å; L312-I392 HydrophobicContact CD2-CD1 3.8Å; L312-I392 HydrophobicContact CG-CD1 4.24Å
313	R	90.4	Very high	91	Very high	84 Å²	84	34 Å²	34	32%	0.317	17%	0.172	S	C	.	.	I	π-helix	trans	-84.3	-46.5	176.4	-73.2	178.9	165.9	161.1	-2.8	112.9	L309 H310 E342 I344 E468	L309-R313 HydrophobicContact CD1-CG 4.45Å; L309-R313 VanDerWaalsContact CD2-NH1 3.34Å; L309-R313 WeakPolarHBondContact O-CB 3.18Å; L309-R313 WeakPolarHBondContact O-CG 3.29Å; L309-R313 PolarHBondContact O-N 2.81Å; H310-R313 PolarHBondContact O-N 3.44Å; R313-E342 IonicContact CZ-OE2 3.58Å; R313-E342 IonicContact NH1-OE2 2.69Å; R313-E342 PolarHBondContact NH1-OE2 3.38Å; R313-E342 PolarHBondContact NH2-O 3.49Å; R313-E342 IonicContact NH2-OE2 2.68Å; R313-E342 PolarHBondContact NH2-OE2 3.37Å; R313-I344 HydrophobicContact CG-CD1 4.28Å; R313-E468 IonicContact CZ-OE2 2.68Å; R313-E468 IonicContact NH1-OE2 3.25Å; R313-E468 PolarHBondContact NH1-OE2 3.05Å
314	N	88.1	Confident	91.2	Very high	100 Å²	100	32.7 Å²	32.7	54%	0.535	17%	0.165	S	C	.	.	I	π-helix	trans	-116.3	-16.9	-159.5	-53.4	-44.4	0	0	0	114.5	H310 E468	H310-N314 PolarHBondContact CE1-ND2 2.86Å; H310-N314 PolarHBondContact ND1-ND2 3.14Å; H310-N314 WeakPolarHBondContact O-CB 3.3Å; H310-N314 PolarHBondContact O-N 2.87Å; N314-E468 PolarHBondContact ND2-OE1 3.47Å
315	V	85.2	Confident	91.2	Very high	35 Å²	35	32.9 Å²	32.9	21%	0.212	17%	0.166	C	C	.	.	I	π-helix	trans	-116.1	-47.2	-173.9	-176.8	0	0	0	0	112.9	L311 Y420 L525	L311-V315 HydrophobicContact CD2-CB 3.93Å; L311-V315 HydrophobicContact CD2-CG1 4.09Å; L311-V315 HydrophobicContact CD2-CG2 3.92Å; L311-V315 PolarHBondContact O-N 3.31Å; V315-Y420 HydrophobicContact CG1-CE1 4Å; V315-L525 HydrophobicContact CG2-CD2 4.42Å
316	A	85.4	Confident	91.2	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	-77.6	132.5	167.5	0	0	0	0	0	109.5	L311	L311-A316 WeakPolarHBondContact O-CB 3.41Å; L311-A316 PolarHBondContact O-N 3.35Å
317	K	84.1	Confident	91.1	Very high	118 Å²	118	32.7 Å²	32.7	51%	0.513	17%	0.165	S	C	.	.			trans	-75.5	148	179.5	-55.1	-177.2	-164.9	64.4	0	110.7	Q319 E320	K317-Q319 PolarHBondContact O-N 3.32Å; K317-E320 HydrophobicContact CB-CB 4.5Å; K317-E320 HydrophobicContact CB-CG 3.97Å; K317-E320 WeakPolarHBondContact CD-OE1 3.34Å; K317-E320 HydrophobicContact CG-CG 4.49Å; K317-E320 WeakPolarHBondContact CG-OE1 3.39Å; K317-E320 PolarHBondContact N-OE2 3.15Å; K317-E320 IonicContact NZ-OE1 3.38Å; K317-E320 PolarHBondContact NZ-OE1 2.61Å; K317-E320 WeakPolarHBondContact O-CB 3.37Å; K317-E320 PolarHBondContact O-N 2.99Å
318	P	80.8	Confident	91	Very high	99 Å²	99	33.4 Å²	33.4	64%	0.643	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.6	178.2	-28.2	35.9	0	0	0	115.7
319	Q	84.1	Confident	90.8	Very high	128 Å²	128	34.7 Å²	34.7	60%	0.598	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.7	179.5	-51.7	79.8	9.2	0	0	114.1	K317 R368 M371	K317-Q319 PolarHBondContact O-N 3.32Å; Q319-R368 PolarHBondContact O-NH1 3.35Å; Q319-M371 VanDerWaalsContact O-CE 3.26Å; Q319-M371 WeakPolarHBondContact O-CE 3.29Å
320	E	89.3	Confident	90.9	Very high	35 Å²	35	37.1 Å²	37.1	16%	0.164	19%	0.186	C	C	.	.	S	Bend	trans	-94.5	129.9	-176.6	-74	171.5	179.5	0	0	111.7	K317 T322 D389 N390	K317-E320 HydrophobicContact CB-CB 4.5Å; K317-E320 HydrophobicContact CB-CG 3.97Å; K317-E320 WeakPolarHBondContact CD-OE1 3.34Å; K317-E320 HydrophobicContact CG-CG 4.49Å; K317-E320 WeakPolarHBondContact CG-OE1 3.39Å; K317-E320 PolarHBondContact N-OE2 3.15Å; K317-E320 IonicContact NZ-OE1 3.38Å; K317-E320 PolarHBondContact NZ-OE1 2.61Å; K317-E320 WeakPolarHBondContact O-CB 3.37Å; K317-E320 PolarHBondContact O-N 2.99Å; E320-T322 PolarHBondContact O-N 2.86Å; E320-T322 PolarHBondContact O-OG1 2.89Å; E320-D389 HydrophobicContact CB-CB 3.69Å; E320-D389 HydrophobicContact CG-CB 3.91Å; E320-N390 PolarHBondContact OE2-ND2 2.75Å
321	Q	91.8	Very high	91	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.047	18%	0.183	C	C	.	.			trans	-83.6	121.8	-177.3	-65.2	-164.8	-105.3	0	0	111.2	F365 M371 L388 D389 N390	Q321-F365 HydrophobicContact CB-CE2 4.31Å; Q321-F365 HydrophobicContact CB-CZ 3.9Å; Q321-F365 PolarHBondContact NE2-O 3.38Å; Q321-M371 HydrophobicContact CG-CE 3.68Å; Q321-M371 HydrophobicContact CG-SD 4.34Å; Q321-L388 HydrophobicContact CB-CD2 4.41Å; Q321-D389 PolarHBondContact N-OD2 2.85Å; Q321-D389 PolarHBondContact O-N 2.91Å; Q321-D389 VanDerWaalsContact O-N 3.14Å; Q321-N390 PolarHBondContact O-N 2.97Å
322	T	94	Very high	91.1	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.7	-168.4	-56.9	0	0	0	0	111.7	L312 E320 M371 V372 L373 N390 I392	L312-T322 HydrophobicContact CD2-CG2 3.92Å; E320-T322 PolarHBondContact O-N 2.86Å; E320-T322 PolarHBondContact O-OG1 2.89Å; T322-M371 PolarHBondContact N-O 3.35Å; T322-V372 CarbonylContact O-C 3.57Å; T322-V372 WeakPolarHBondContact O-CA 3.47Å; T322-L373 PolarHBondContact O-N 3.37Å; T322-N390 WeakPolarHBondContact CA-O 3.46Å; T322-N390 HydrophobicContact CG2-CB 3.96Å; T322-I392 HydrophobicContact CG2-CD1 3.77Å; T322-I392 HydrophobicContact CG2-CG1 3.91Å
323	V	94.4	Very high	91.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.3	172.9	172.8	0	0	0	0	111.5	F325 F365 L373 V375 I385 L388 N390 V391 I392	V323-F325 HydrophobicContact CB-CE2 4.33Å; V323-F325 HydrophobicContact CG1-CD2 3.92Å; V323-F325 HydrophobicContact CG1-CE2 3.52Å; V323-F325 HydrophobicContact CG1-CZ 3.92Å; V323-F365 HydrophobicContact CG2-CE1 4.37Å; V323-F365 HydrophobicContact CG2-CZ 3.94Å; V323-L373 CarbonylContact C-O 3.35Å; V323-L373 VanDerWaalsContact CA-O 3.29Å; V323-L373 WeakPolarHBondContact CA-O 3.49Å; V323-L373 HydrophobicContact CG2-CB 4.06Å; V323-L373 HydrophobicContact CG2-CD2 4.11Å; V323-L373 HydrophobicContact CG2-CG 4.17Å; V323-V375 HydrophobicContact CG1-CG2 3.6Å; V323-I385 HydrophobicContact CG2-CG2 4.02Å; V323-L388 HydrophobicContact CB-CD1 3.7Å; V323-L388 HydrophobicContact CG2-CD1 3.42Å; V323-L388 VanDerWaalsContact CG2-CD1 3.42Å; V323-L388 HydrophobicContact CG2-CD2 3.66Å; V323-L388 HydrophobicContact CG2-CG 4.18Å; V323-N390 PolarHBondContact N-O 2.84Å; V323-N390 VanDerWaalsContact N-O 3.14Å; V323-V391 WeakPolarHBondContact O-CA 3.36Å; V323-I392 PolarHBondContact O-N 2.82Å
324	V	96.3	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.5	179.7	-173.4	0	0	0	0	109.5	L308 V372 L373 I374 V375 I392	L308-V324 HydrophobicContact CD1-CG1 3.95Å; L308-V324 HydrophobicContact CD1-CG2 4.1Å; L308-V324 HydrophobicContact CD2-CG1 4.43Å; V324-V372 HydrophobicContact CG2-CG1 3.78Å; V324-L373 PolarHBondContact N-O 3.45Å; V324-I374 HydrophobicContact CB-CG1 4.47Å; V324-I374 HydrophobicContact CB-CG2 4.35Å; V324-I374 WeakPolarHBondContact O-CA 3.37Å; V324-V375 PolarHBondContact O-N 3.26Å; V324-I392 CarbonylContact C-O 3.56Å; V324-I392 WeakPolarHBondContact CA-O 3.33Å; V324-I392 HydrophobicContact CG1-CG2 4.49Å; V324-I392 HydrophobicContact CG2-CB 4.29Å; V324-I392 HydrophobicContact CG2-CD1 4.37Å
325	F	96.1	Very high	91.9	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.8	178.7	-74.2	-91.8	0	0	0	112	V323 V375 A380 V391 I392 Y394 N395 R406	V323-F325 HydrophobicContact CB-CE2 4.33Å; V323-F325 HydrophobicContact CG1-CD2 3.92Å; V323-F325 HydrophobicContact CG1-CE2 3.52Å; V323-F325 HydrophobicContact CG1-CZ 3.92Å; F325-V375 WeakPolarHBondContact CA-O 3.45Å; F325-V375 HydrophobicContact CD1-CG2 3.77Å; F325-V375 HydrophobicContact CE1-CG2 3.78Å; F325-V375 HydrophobicContact CG-CG2 4.23Å; F325-V375 HydrophobicContact CZ-CG2 4.25Å; F325-A380 HydrophobicContact CD1-CB 4.42Å; F325-A380 HydrophobicContact CE1-CB 3.52Å; F325-A380 HydrophobicContact CZ-CB 4.23Å; F325-V391 HydrophobicContact CD2-CG1 3.95Å; F325-V391 HydrophobicContact CE2-CG1 3.92Å; F325-V391 HydrophobicContact CE2-CG2 4.33Å; F325-I392 PolarHBondContact N-O 3.05Å; F325-Y394 WeakPolarHBondContact O-CB 3.23Å; F325-Y394 PolarHBondContact O-N 3.5Å; F325-N395 PolarHBondContact O-N 3.36Å; F325-R406 HydrophobicContact CD1-CB 4.42Å; F325-R406 HydrophobicContact CD1-CG 3.66Å; F325-R406 HydrophobicContact CD2-CB 4.06Å; F325-R406 HydrophobicContact CD2-CG 4.1Å; F325-R406 HydrophobicContact CE1-CB 4.16Å; F325-R406 HydrophobicContact CE1-CG 3.64Å; F325-R406 HydrophobicContact CE2-CB 3.77Å; F325-R406 HydrophobicContact CE2-CG 4.08Å; F325-R406 HydrophobicContact CG-CB 4.37Å; F325-R406 HydrophobicContact CG-CG 3.9Å; F325-R406 HydrophobicContact CZ-CB 3.82Å; F325-R406 HydrophobicContact CZ-CG 3.86Å
326	A	95.6	Very high	92.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	154	177.6	0	0	0	0	0	112.1	H331 V332 V375	A326-H331 HydrophobicContact CB-CB 3.78Å; A326-V332 HydrophobicContact CB-CG2 4.08Å; A326-V375 PolarHBondContact N-O 3.4Å
327	A	92.1	Very high	92.9	Very high	12 Å²	12	32.4 Å²	32.4	10%	0.099	16%	0.161	C	C	.	.	S	Bend	trans	-76.8	-24.2	-172.2	0	0	0	0	0	115.1	N395 Y493 Y496	A327-N395 HydrophobicContact CB-CB 3.71Å; A327-N395 WeakPolarHBondContact CB-OD1 3.3Å; A327-N395 PolarHBondContact N-OD1 3.17Å; A327-Y493 HydrophobicContact CB-CD2 4.42Å; A327-Y493 HydrophobicContact CB-CE2 4.28Å; A327-Y496 HydrophobicContact CB-CD1 3.86Å; A327-Y496 HydrophobicContact CB-CD2 4.1Å; A327-Y496 HydrophobicContact CB-CE1 3.68Å; A327-Y496 HydrophobicContact CB-CE2 3.94Å; A327-Y496 HydrophobicContact CB-CG 4.07Å
328	T	93.1	Very high	93.4	Very high	15 Å²	15	26.9 Å²	26.9	9%	0.092	14%	0.138	C	C	.	.	S	Bend	trans	-142.8	154.1	-175.1	69.8	0	0	0	0	111.3	H330 H331 V332 A492 Y496	T328-H330 PolarHBondContact O-N 3.49Å; T328-H331 PolarHBondContact O-N 3.06Å; T328-H331 VanDerWaalsContact O-N 3.11Å; T328-H331 PolarHBondContact OG1-N 2.87Å; T328-H331 PolarHBondContact OG1-ND1 3.45Å; T328-V332 PolarHBondContact O-N 3Å; T328-A492 HydrophobicContact CG2-CB 4.22Å; T328-Y496 HydrophobicContact CG2-CD2 4.49Å; T328-Y496 HydrophobicContact CG2-CG 4.33Å
329	K	92.8	Very high	94.1	Very high	29 Å²	29	22.3 Å²	22.3	13%	0.126	11%	0.108	C	C	.	.	H	α-helix	trans	-53.7	-35.3	174.9	69.5	-172.5	-178.1	-159.3	0	113	H331 V332 E333 Y350 D693	K329-H331 PolarHBondContact O-N 3Å; K329-V332 WeakPolarHBondContact O-CA 3.49Å; K329-V332 VanDerWaalsContact O-CB 3.31Å; K329-V332 WeakPolarHBondContact O-CB 3.38Å; K329-V332 PolarHBondContact O-N 3.01Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.04Å; K329-Y350 HydrophobicContact CB-CD1 3.98Å; K329-Y350 HydrophobicContact CB-CD2 4.09Å; K329-Y350 HydrophobicContact CB-CG 3.72Å; K329-D693 HydrophobicContact CD-CB 4.13Å; K329-D693 PolarHBondContact NZ-O 3.29Å
330	H	94.9	Very high	94.5	Very high	52 Å²	52	18.9 Å²	18.9	24%	0.241	10%	0.098	C	C	.	.	H	α-helix	trans	-72.8	-26.8	-179.1	-61.1	-50.9	0	0	0	114.1	T328 E333 Y334 V488 S489 A492	T328-H330 PolarHBondContact O-N 3.49Å; H330-E333 WeakPolarHBondContact CA-OE2 3.29Å; H330-E333 IonicContact CE1-OE2 3.66Å; H330-E333 IonicContact CG-OE2 2.67Å; H330-E333 IonicContact ND1-OE2 2.74Å; H330-E333 PolarHBondContact ND1-OE2 3.17Å; H330-Y334 VanDerWaalsContact O-CB 3.26Å; H330-Y334 WeakPolarHBondContact O-CB 3.44Å; H330-Y334 PolarHBondContact O-N 3.31Å; H330-V488 HydrophobicContact CB-CG1 4.05Å; H330-S489 WeakPolarHBondContact O-CB 3.37Å; H330-A492 HydrophobicContact CB-CB 4.14Å
331	H	95.7	Very high	94.6	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.056	11%	0.114	C	C	.	.	H	α-helix	trans	-69.8	-37.1	165	-71.8	102.9	0	0	0	111.4	A326 T328 K329 E333 Y334 L335 Y394 Y493	A326-H331 HydrophobicContact CB-CB 3.78Å; T328-H331 PolarHBondContact O-N 3.06Å; T328-H331 VanDerWaalsContact O-N 3.11Å; T328-H331 PolarHBondContact OG1-N 2.87Å; T328-H331 PolarHBondContact OG1-ND1 3.45Å; K329-H331 PolarHBondContact O-N 3Å; H331-E333 VanDerWaalsContact C-N 3.3Å; H331-E333 PolarHBondContact O-N 3.14Å; H331-Y334 PolarHBondContact O-N 3.2Å; H331-L335 VanDerWaalsContact O-CB 3.23Å; H331-L335 WeakPolarHBondContact O-CB 3.26Å; H331-L335 WeakPolarHBondContact O-CG 3.43Å; H331-L335 PolarHBondContact O-N 2.92Å; H331-Y394 AromaticContact CD2-CE1 4Å; H331-Y493 AromaticContact CE1-CD2 3.62Å; H331-Y493 AromaticContact CE1-CG 3.81Å
332	V	96.4	Very high	94.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-39.8	177.4	178.2	0	0	0	0	110.7	A326 T328 K329 N336 Y348 Y350 I374 T376	A326-V332 HydrophobicContact CB-CG2 4.08Å; T328-V332 PolarHBondContact O-N 3Å; K329-V332 WeakPolarHBondContact O-CA 3.49Å; K329-V332 VanDerWaalsContact O-CB 3.31Å; K329-V332 WeakPolarHBondContact O-CB 3.38Å; K329-V332 PolarHBondContact O-N 3.01Å; V332-N336 VanDerWaalsContact O-CB 3.25Å; V332-N336 WeakPolarHBondContact O-CB 3.5Å; V332-N336 PolarHBondContact O-N 3.47Å; V332-N336 VanDerWaalsContact O-N 3.11Å; V332-Y348 HydrophobicContact CG1-CD2 4.49Å; V332-Y350 HydrophobicContact CB-CD1 4.3Å; V332-Y350 HydrophobicContact CG1-CD1 4.1Å; V332-I374 HydrophobicContact CB-CG2 4.26Å; V332-I374 HydrophobicContact CG1-CB 4.19Å; V332-I374 HydrophobicContact CG1-CG2 4.01Å; V332-I374 HydrophobicContact CG2-CG2 4.15Å; V332-T376 HydrophobicContact CG2-CG2 3.76Å
333	E	95.3	Very high	94.3	Very high	51 Å²	51	24.8 Å²	24.8	24%	0.238	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-52	175.1	-67.9	164.8	156	0	0	111.6	K329 H330 H331 N336 E337 Y350 L485	K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.04Å; H330-E333 WeakPolarHBondContact CA-OE2 3.29Å; H330-E333 IonicContact CE1-OE2 3.66Å; H330-E333 IonicContact CG-OE2 2.67Å; H330-E333 IonicContact ND1-OE2 2.74Å; H330-E333 PolarHBondContact ND1-OE2 3.17Å; H331-E333 VanDerWaalsContact C-N 3.3Å; H331-E333 PolarHBondContact O-N 3.14Å; E333-N336 PolarHBondContact O-N 2.91Å; E333-E337 PolarHBondContact O-N 2.71Å; E333-E337 VanDerWaalsContact O-N 3.13Å; E333-Y350 HydrophobicContact CG-CD1 4.41Å; E333-Y350 HydrophobicContact CG-CE1 3.63Å; E333-Y350 VanDerWaalsContact OE1-CE1 3.32Å; E333-Y350 WeakPolarHBondContact OE1-CE1 3.38Å; E333-Y350 VanDerWaalsContact OE1-CZ 3.22Å; E333-Y350 PolarHBondContact OE1-OH 2.76Å; E333-L485 HydrophobicContact CB-CD2 4.23Å
334	Y	96.5	Very high	94.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-50.2	177.3	167.6	-114.1	0	0	0	113.2	P305 H330 H331 N336 E337 L338 H476 L482 L485 H486	P305-Y334 HydrophobicContact CG-CE1 4.47Å; H330-Y334 VanDerWaalsContact O-CB 3.26Å; H330-Y334 WeakPolarHBondContact O-CB 3.44Å; H330-Y334 PolarHBondContact O-N 3.31Å; H331-Y334 PolarHBondContact O-N 3.2Å; Y334-N336 VanDerWaalsContact C-N 3.31Å; Y334-N336 PolarHBondContact O-N 2.87Å; Y334-E337 PolarHBondContact O-N 2.71Å; Y334-L338 HydrophobicContact CE1-CD2 4.3Å; Y334-L338 WeakPolarHBondContact O-CB 3.48Å; Y334-L338 PolarHBondContact O-N 3.24Å; Y334-H476 AromaticContact CE2-NE2 3.4Å; Y334-H476 WeakPolarHBondContact CE2-NE2 3.37Å; Y334-H476 AromaticContact CZ-NE2 3.6Å; Y334-H476 PolarHBondContact OH-CE1 2.66Å; Y334-H476 PolarHBondContact OH-NE2 2.94Å; Y334-L482 HydrophobicContact CD2-CD1 3.82Å; Y334-L482 HydrophobicContact CE2-CD1 3.67Å; Y334-L482 HydrophobicContact CE2-CG 4.2Å; Y334-L485 HydrophobicContact CD2-CB 4.11Å; Y334-H486 HydrophobicContact CD2-CB 3.95Å; Y334-H486 AromaticContact CE1-CD2 3.96Å; Y334-H486 HydrophobicContact CE2-CB 3.59Å; Y334-H486 AromaticContact CZ-CD2 3.63Å
335	L	96.8	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-28.8	-179.1	-65.9	176.3	0	0	0	112.3	L308 H331 L338 L339 I374 Y394	L308-L335 HydrophobicContact CD2-CD1 4.05Å; L308-L335 HydrophobicContact CD2-CD2 3.86Å; L308-L335 HydrophobicContact CD2-CG 4.41Å; H331-L335 VanDerWaalsContact O-CB 3.23Å; H331-L335 WeakPolarHBondContact O-CB 3.26Å; H331-L335 WeakPolarHBondContact O-CG 3.43Å; H331-L335 PolarHBondContact O-N 2.92Å; L335-L338 HydrophobicContact CD2-CD2 4.25Å; L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.4Å; L335-L339 VanDerWaalsContact O-CG 3.23Å; L335-L339 WeakPolarHBondContact O-CG 3.39Å; L335-L339 PolarHBondContact O-N 3.43Å; L335-I374 HydrophobicContact CB-CD1 4.12Å; L335-Y394 HydrophobicContact CD1-CD1 4Å; L335-Y394 HydrophobicContact CD1-CD2 4.01Å; L335-Y394 HydrophobicContact CD1-CE1 4.04Å; L335-Y394 HydrophobicContact CD1-CE2 4.02Å; L335-Y394 HydrophobicContact CD1-CG 4Å; L335-Y394 HydrophobicContact CD2-CE2 3.98Å
336	N	95.8	Very high	93.8	Very high	22 Å²	22	30.7 Å²	30.7	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-46.9	172.6	-179.2	89.1	0	0	0	111.1	V332 E333 Y334 S340 Y348 I374	V332-N336 VanDerWaalsContact O-CB 3.25Å; V332-N336 WeakPolarHBondContact O-CB 3.5Å; V332-N336 PolarHBondContact O-N 3.47Å; V332-N336 VanDerWaalsContact O-N 3.11Å; E333-N336 PolarHBondContact O-N 2.91Å; Y334-N336 VanDerWaalsContact C-N 3.31Å; Y334-N336 PolarHBondContact O-N 2.87Å; N336-S340 VanDerWaalsContact O-CB 3.3Å; N336-S340 WeakPolarHBondContact O-CB 3.4Å; N336-S340 PolarHBondContact O-N 3.3Å; N336-S340 PolarHBondContact O-OG 3.47Å; N336-Y348 HydrophobicContact CB-CD1 4.3Å; N336-Y348 WeakPolarHBondContact OD1-CD1 3.33Å; N336-I374 HydrophobicContact CB-CD1 4.13Å
337	E	95.3	Very high	93.8	Very high	85 Å²	85	30.7 Å²	30.7	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-64.4	-47	179.6	-161.5	61.6	-157.8	0	0	110.8	E333 Y334 L339 S340 S341 L482 L485	E333-E337 PolarHBondContact O-N 2.71Å; E333-E337 VanDerWaalsContact O-N 3.13Å; Y334-E337 PolarHBondContact O-N 2.71Å; E337-L339 PolarHBondContact O-N 3.46Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.17Å; E337-S340 VanDerWaalsContact O-N 3.11Å; E337-S341 PolarHBondContact O-N 2.85Å; E337-S341 PolarHBondContact O-OG 3.27Å; E337-L482 HydrophobicContact CB-CD1 4.21Å; E337-L482 HydrophobicContact CG-CD1 4.37Å; E337-L485 HydrophobicContact CB-CD1 3.79Å; E337-L485 HydrophobicContact CG-CD1 4.01Å
338	L	94.9	Very high	93.9	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-49.4	178	-171.4	70.6	0	0	0	112.9	P305 Y334 L335 S340 S341 E342 L472 L482	P305-L338 HydrophobicContact CB-CD2 3.8Å; Y334-L338 HydrophobicContact CE1-CD2 4.3Å; Y334-L338 WeakPolarHBondContact O-CB 3.48Å; Y334-L338 PolarHBondContact O-N 3.24Å; L335-L338 HydrophobicContact CD2-CD2 4.25Å; L338-S340 VanDerWaalsContact C-N 3.26Å; L338-S340 PolarHBondContact O-N 3.3Å; L338-S341 PolarHBondContact O-N 3.48Å; L338-S341 PolarHBondContact O-OG 3Å; L338-E342 WeakPolarHBondContact O-CB 3.4Å; L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 2.95Å; L338-E342 VanDerWaalsContact O-N 3.11Å; L338-L472 HydrophobicContact CD1-CD2 3.63Å; L338-L472 HydrophobicContact CD2-CD2 3.79Å; L338-L472 HydrophobicContact CG-CD2 3.94Å; L338-L482 HydrophobicContact CB-CD1 3.97Å; L338-L482 HydrophobicContact CD1-CD1 3.97Å; L338-L482 HydrophobicContact CD1-CD2 3.65Å; L338-L482 HydrophobicContact CD1-CG 4.3Å
339	L	94.2	Very high	93.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-26	179.3	-67.5	173.1	0	0	0	111.6	L308 L309 L312 L335 E337 E342 G343 I344 C346 I374	L308-L339 HydrophobicContact CD2-CD1 4.09Å; L309-L339 HydrophobicContact CD1-CD2 3.97Å; L312-L339 HydrophobicContact CD1-CD1 3.74Å; L312-L339 HydrophobicContact CD1-CD2 3.89Å; L335-L339 VanDerWaalsContact O-CB 3.28Å; L335-L339 WeakPolarHBondContact O-CB 3.4Å; L335-L339 VanDerWaalsContact O-CG 3.23Å; L335-L339 WeakPolarHBondContact O-CG 3.39Å; L335-L339 PolarHBondContact O-N 3.43Å; E337-L339 PolarHBondContact O-N 3.46Å; L339-E342 CarbonylContact O-C 3.59Å; L339-E342 PolarHBondContact O-N 3.37Å; L339-G343 PolarHBondContact O-N 3.3Å; L339-I344 HydrophobicContact CB-CB 4.29Å; L339-I344 HydrophobicContact CD2-CD1 4.06Å; L339-I344 WeakPolarHBondContact O-CA 3.45Å; L339-I344 WeakPolarHBondContact O-CB 3.48Å; L339-I344 PolarHBondContact O-N 3.1Å; L339-C346 VanDerWaalsContact CB-SG 3.6Å; L339-I374 HydrophobicContact CD1-CD1 4.05Å
340	S	93.1	Very high	93.8	Very high	56 Å²	56	32.9 Å²	32.9	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-71.3	-41.4	173.5	-58.8	0	0	0	0	112.3	N336 E337 L338 E342 G343	N336-S340 VanDerWaalsContact O-CB 3.3Å; N336-S340 WeakPolarHBondContact O-CB 3.4Å; N336-S340 PolarHBondContact O-N 3.3Å; N336-S340 PolarHBondContact O-OG 3.47Å; E337-S340 WeakPolarHBondContact O-CB 3.49Å; E337-S340 PolarHBondContact O-N 3.17Å; E337-S340 VanDerWaalsContact O-N 3.11Å; L338-S340 VanDerWaalsContact C-N 3.26Å; L338-S340 PolarHBondContact O-N 3.3Å; S340-E342 VanDerWaalsContact C-N 3.27Å; S340-E342 PolarHBondContact O-N 2.94Å; S340-G343 PolarHBondContact O-N 2.82Å
341	S	91.5	Very high	93.2	Very high	71 Å²	71	32.1 Å²	32.1	50%	0.497	19%	0.185	S	C	.	.	H	α-helix	trans	-65.1	-32.2	172.8	52.7	0	0	0	0	112.3	E337 L338 G343	E337-S341 PolarHBondContact O-N 2.85Å; E337-S341 PolarHBondContact O-OG 3.27Å; L338-S341 PolarHBondContact O-N 3.48Å; L338-S341 PolarHBondContact O-OG 3Å; S341-G343 VanDerWaalsContact C-N 3.27Å; S341-G343 PolarHBondContact O-N 3.09Å
342	E	90.5	Very high	92.6	Very high	33 Å²	33	35 Å²	35	15%	0.154	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9	176.5	-68.5	-60.2	132.2	0	0	114.5	L309 R313 L338 L339 S340	L309-E342 HydrophobicContact CD1-CB 3.81Å; L309-E342 HydrophobicContact CD1-CG 4.09Å; L309-E342 HydrophobicContact CD2-CB 4.44Å; L309-E342 HydrophobicContact CD2-CG 3.85Å; R313-E342 IonicContact CZ-OE2 3.58Å; R313-E342 IonicContact NH1-OE2 2.69Å; R313-E342 PolarHBondContact NH1-OE2 3.38Å; R313-E342 PolarHBondContact NH2-O 3.49Å; R313-E342 IonicContact NH2-OE2 2.68Å; R313-E342 PolarHBondContact NH2-OE2 3.37Å; L338-E342 WeakPolarHBondContact O-CB 3.4Å; L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 2.95Å; L338-E342 VanDerWaalsContact O-N 3.11Å; L339-E342 CarbonylContact O-C 3.59Å; L339-E342 PolarHBondContact O-N 3.37Å; S340-E342 VanDerWaalsContact C-N 3.27Å; S340-E342 PolarHBondContact O-N 2.94Å
343	G	90.1	Very high	92.1	Very high	69 Å²	69	35.8 Å²	35.8	71%	0.711	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	10.6	170.4	0	0	0	0	0	116.8	L339 S340 S341	L339-G343 PolarHBondContact O-N 3.3Å; S340-G343 PolarHBondContact O-N 2.82Å; S341-G343 VanDerWaalsContact C-N 3.27Å; S341-G343 PolarHBondContact O-N 3.09Å
344	I	91.4	Very high	91.6	Very high	30 Å²	30	37.9 Å²	37.9	15%	0.154	23%	0.228	C	C	.	.			trans	-105.2	105.4	-172.8	-60.7	171	0	0	0	110.2	L309 L312 R313 L339 C346 V372	L309-I344 HydrophobicContact CD1-CD1 3.7Å; L312-I344 HydrophobicContact CB-CD1 4.25Å; R313-I344 HydrophobicContact CG-CD1 4.28Å; L339-I344 HydrophobicContact CB-CB 4.29Å; L339-I344 HydrophobicContact CD2-CD1 4.06Å; L339-I344 WeakPolarHBondContact O-CA 3.45Å; L339-I344 WeakPolarHBondContact O-CB 3.48Å; L339-I344 PolarHBondContact O-N 3.1Å; I344-C346 PolarHBondContact O-N 3.1Å; I344-C346 PolarHBondContact O-SG 2.91Å; I344-C346 VanDerWaalsContact O-SG 3.35Å; I344-V372 HydrophobicContact CG2-CG2 3.91Å
345	E	90.4	Very high	90.7	Very high	93 Å²	93	40.2 Å²	40.2	44%	0.435	24%	0.239	S	C	.	.			trans	-64.7	111.2	179.1	-169.9	-177.8	164.8	0	0	111.7	K364 A370	E345-K364 WeakPolarHBondContact OE1-CD 3.27Å; E345-K364 VanDerWaalsContact OE1-CE 3.32Å; E345-K364 WeakPolarHBondContact OE1-CE 3.45Å; E345-K364 IonicContact OE1-NZ 2.78Å; E345-K364 PolarHBondContact OE1-NZ 2.96Å; E345-A370 HydrophobicContact CG-CB 4.21Å; E345-A370 WeakPolarHBondContact O-CA 3.43Å; E345-A370 WeakPolarHBondContact O-CB 3.07Å
346	C	93.9	Very high	90.1	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	147.2	176.7	-65.8	0	0	0	0	112.4	L339 I344 I374	L339-C346 VanDerWaalsContact CB-SG 3.6Å; I344-C346 PolarHBondContact O-N 3.1Å; I344-C346 PolarHBondContact O-SG 2.91Å; I344-C346 VanDerWaalsContact O-SG 3.35Å; C346-I374 HydrophobicContact CB-CD1 3.94Å; C346-I374 HydrophobicContact CB-CG1 4.36Å
347	A	95	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	150.1	156.9	0	0	0	0	0	108.7	N361 K364 F365 A370 V372 L373 I374	A347-N361 HydrophobicContact CB-CB 4.27Å; A347-N361 WeakPolarHBondContact CB-O 3.28Å; A347-K364 HydrophobicContact CB-CB 4.39Å; A347-F365 HydrophobicContact CB-CB 4.24Å; A347-A370 HydrophobicContact CB-CB 3.81Å; A347-V372 PolarHBondContact N-O 2.67Å; A347-L373 HydrophobicContact CB-CD1 4.11Å; A347-L373 CarbonylContact O-C 3.55Å; A347-L373 VanDerWaalsContact O-CA 3.3Å; A347-L373 WeakPolarHBondContact O-CA 3.36Å; A347-I374 PolarHBondContact O-N 3.09Å
348	Y	95.1	Very high	89.3	Confident	70 Å²	70	42.3 Å²	42.3	28%	0.275	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.8	-179.8	66.4	-90.5	0	0	0	113	V332 N336 Y350 L353 N361 I374	V332-Y348 HydrophobicContact CG1-CD2 4.49Å; N336-Y348 HydrophobicContact CB-CD1 4.3Å; N336-Y348 WeakPolarHBondContact OD1-CD1 3.33Å; Y348-Y350 HydrophobicContact CD2-CD1 4.47Å; Y348-Y350 HydrophobicContact CD2-CE1 4.3Å; Y348-Y350 HydrophobicContact CE2-CE1 4.34Å; Y348-L353 HydrophobicContact CD2-CD2 4.33Å; Y348-L353 HydrophobicContact CE2-CD1 4.01Å; Y348-L353 HydrophobicContact CE2-CD2 4.25Å; Y348-N361 WeakPolarHBondContact O-CB 3.34Å; Y348-N361 PolarHBondContact O-ND2 2.83Å; Y348-I374 CarbonylContact C-O 3.58Å; Y348-I374 VanDerWaalsContact CA-O 3.29Å; Y348-I374 WeakPolarHBondContact CA-O 3.45Å
349	I	92.4	Very high	88.9	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	123	176.9	-43.2	170.8	0	0	0	111.4	L353 R358 N361 I362 L373 I374 V375 T376 A379 I383	I349-L353 HydrophobicContact CG2-CD2 4.37Å; I349-R358 HydrophobicContact CG2-CG 3.83Å; I349-N361 HydrophobicContact CG1-CB 4.41Å; I349-I362 HydrophobicContact CD1-CD1 4.18Å; I349-I362 HydrophobicContact CD1-CG1 3.45Å; I349-I362 VanDerWaalsContact CD1-CG1 3.45Å; I349-L373 HydrophobicContact CD1-CD1 3.91Å; I349-L373 HydrophobicContact CG1-CD1 3.87Å; I349-I374 PolarHBondContact N-O 3.39Å; I349-V375 HydrophobicContact CB-CG1 4.15Å; I349-V375 WeakPolarHBondContact O-CA 3.48Å; I349-T376 PolarHBondContact O-N 3.23Å; I349-A379 HydrophobicContact CG2-CB 4.14Å; I349-A379 WeakPolarHBondContact O-CB 3.29Å; I349-I383 HydrophobicContact CD1-CD1 3.68Å; I349-I383 HydrophobicContact CG2-CD1 4.02Å
350	Y	91.3	Very high	88.7	Confident	32 Å²	32	54.6 Å²	54.6	13%	0.125	32%	0.315	C	S	.	.			trans	-127.7	168.5	167.9	55.6	-112.7	0	0	0	110.8	K329 V332 E333 Y348 A352 L353	K329-Y350 HydrophobicContact CB-CD1 3.98Å; K329-Y350 HydrophobicContact CB-CD2 4.09Å; K329-Y350 HydrophobicContact CB-CG 3.72Å; V332-Y350 HydrophobicContact CB-CD1 4.3Å; V332-Y350 HydrophobicContact CG1-CD1 4.1Å; E333-Y350 HydrophobicContact CG-CD1 4.41Å; E333-Y350 HydrophobicContact CG-CE1 3.63Å; E333-Y350 VanDerWaalsContact OE1-CE1 3.32Å; E333-Y350 WeakPolarHBondContact OE1-CE1 3.38Å; E333-Y350 VanDerWaalsContact OE1-CZ 3.22Å; E333-Y350 PolarHBondContact OE1-OH 2.76Å; Y348-Y350 HydrophobicContact CD2-CD1 4.47Å; Y348-Y350 HydrophobicContact CD2-CE1 4.3Å; Y348-Y350 HydrophobicContact CE2-CE1 4.34Å; Y350-A352 HydrophobicContact CD2-CB 4.18Å; Y350-A352 HydrophobicContact CE2-CB 4.16Å; Y350-A352 PolarHBondContact O-N 3.4Å; Y350-L353 HydrophobicContact CD2-CB 3.89Å; Y350-L353 HydrophobicContact CE2-CB 3.87Å; Y350-L353 HydrophobicContact CG-CB 4.46Å; Y350-L353 VanDerWaalsContact O-CB 3.27Å; Y350-L353 WeakPolarHBondContact O-CB 3.39Å; Y350-L353 PolarHBondContact O-N 3.23Å; Y350-L353 VanDerWaalsContact O-N 3.15Å
351	S	82.2	Confident	88.7	Confident	36 Å²	36	52.6 Å²	52.6	25%	0.252	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-40.3	-166.2	-32.2	0	0	0	0	113.2	L353 R358 V378 D693	S351-L353 VanDerWaalsContact C-N 3.31Å; S351-L353 PolarHBondContact O-N 3.3Å; S351-R358 PolarHBondContact O-NH2 3.23Å; S351-V378 WeakPolarHBondContact OG-CB 3.17Å; S351-V378 VanDerWaalsContact OG-CG1 3.25Å; S351-V378 WeakPolarHBondContact OG-CG1 3.45Å; S351-D693 WeakPolarHBondContact CB-OD2 3.42Å; S351-D693 PolarHBondContact OG-OD2 3.47Å
352	A	83.2	Confident	88.6	Confident	72 Å²	72	51.1 Å²	51.1	60%	0.595	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-0.8	179.2	0	0	0	0	0	115	Y350	Y350-A352 HydrophobicContact CD2-CB 4.18Å; Y350-A352 HydrophobicContact CE2-CB 4.16Å; Y350-A352 PolarHBondContact O-N 3.4Å
353	L	85.6	Confident	88.5	Confident	17 Å²	17	50.5 Å²	50.5	9%	0.089	29%	0.289	C	S	.	.	S	Bend	trans	-69.8	134.6	178.2	-174.4	65.6	0	0	0	110.3	Y348 I349 Y350 S351 A357 R358	Y348-L353 HydrophobicContact CD2-CD2 4.33Å; Y348-L353 HydrophobicContact CE2-CD1 4.01Å; Y348-L353 HydrophobicContact CE2-CD2 4.25Å; I349-L353 HydrophobicContact CG2-CD2 4.37Å; Y350-L353 HydrophobicContact CD2-CB 3.89Å; Y350-L353 HydrophobicContact CE2-CB 3.87Å; Y350-L353 HydrophobicContact CG-CB 4.46Å; Y350-L353 VanDerWaalsContact O-CB 3.27Å; Y350-L353 WeakPolarHBondContact O-CB 3.39Å; Y350-L353 PolarHBondContact O-N 3.23Å; Y350-L353 VanDerWaalsContact O-N 3.15Å; S351-L353 VanDerWaalsContact C-N 3.31Å; S351-L353 PolarHBondContact O-N 3.3Å; L353-A357 HydrophobicContact CD1-CB 3.83Å; L353-A357 HydrophobicContact CD2-CB 4.35Å; L353-A357 HydrophobicContact CG-CB 3.95Å; L353-R358 HydrophobicContact CD2-CB 4.42Å
354	D	84.4	Confident	88.6	Confident	95 Å²	95	50.5 Å²	50.5	51%	0.508	27%	0.269	S	S	.	.			trans	-53.9	145.9	178.2	175.6	58.9	0	0	0	112.2	T356 A357 R358	D354-T356 PolarHBondContact O-N 2.86Å; D354-T356 WeakPolarHBondContact OD2-CA 3.49Å; D354-T356 WeakPolarHBondContact OD2-CB 3.4Å; D354-T356 PolarHBondContact OD2-N 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å; D354-A357 HydrophobicContact CB-CB 4.37Å; D354-A357 PolarHBondContact O-N 2.88Å; D354-R358 WeakPolarHBondContact O-CB 2.99Å; D354-R358 PolarHBondContact O-N 2.73Å
355	Q	77.1	Confident	88.6	Confident	52 Å²	52	49.1 Å²	49.1	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-27.8	-175.3	-163.8	66.1	30.4	0	0	112.8	E158 K359	E158-Q355 PolarHBondContact OE1-NE2 2.99Å; Q355-K359 WeakPolarHBondContact O-CB 3.44Å; Q355-K359 PolarHBondContact O-N 2.69Å
356	T	85.6	Confident	88.5	Confident	91 Å²	91	48 Å²	48	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-70	-50.1	173.8	-35.5	0	0	0	0	110	D354 R358 K359 I360	D354-T356 PolarHBondContact O-N 2.86Å; D354-T356 WeakPolarHBondContact OD2-CA 3.49Å; D354-T356 WeakPolarHBondContact OD2-CB 3.4Å; D354-T356 PolarHBondContact OD2-N 2.85Å; D354-T356 PolarHBondContact OD2-OG1 3.3Å; T356-R358 PolarHBondContact O-N 3.03Å; T356-K359 PolarHBondContact O-N 3.38Å; T356-K359 VanDerWaalsContact O-N 3.16Å; T356-I360 HydrophobicContact CG2-CD1 4.3Å; T356-I360 WeakPolarHBondContact O-CG1 3.3Å; T356-I360 PolarHBondContact O-N 3.48Å
357	A	87.9	Confident	88.3	Confident	30 Å²	30	54.5 Å²	54.5	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-42.8	176.8	0	0	0	0	0	111.8	L353 D354 K359 I360 N361	L353-A357 HydrophobicContact CD1-CB 3.83Å; L353-A357 HydrophobicContact CD2-CB 4.35Å; L353-A357 HydrophobicContact CG-CB 3.95Å; D354-A357 HydrophobicContact CB-CB 4.37Å; D354-A357 PolarHBondContact O-N 2.88Å; A357-K359 PolarHBondContact O-N 3.01Å; A357-I360 PolarHBondContact O-N 3.24Å; A357-N361 PolarHBondContact O-N 3.39Å
358	R	86.6	Confident	88.1	Confident	31 Å²	31	60.3 Å²	60.3	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-47.9	171.2	-178.7	-178.1	-58.2	-179.9	3.9	111.6	E158 I349 S351 L353 D354 T356 I360 N361 I362	E158-R358 WeakPolarHBondContact OE1-CD 3.46Å; E158-R358 IonicContact OE1-CZ 2.66Å; E158-R358 IonicContact OE1-NE 3.39Å; E158-R358 IonicContact OE1-NH1 3.56Å; E158-R358 PolarHBondContact OE1-NH1 3.49Å; E158-R358 IonicContact OE2-NH1 3.31Å; I349-R358 HydrophobicContact CG2-CG 3.83Å; S351-R358 PolarHBondContact O-NH2 3.23Å; L353-R358 HydrophobicContact CD2-CB 4.42Å; D354-R358 WeakPolarHBondContact O-CB 2.99Å; D354-R358 PolarHBondContact O-N 2.73Å; T356-R358 PolarHBondContact O-N 3.03Å; R358-I360 VanDerWaalsContact C-N 3.32Å; R358-I360 PolarHBondContact O-N 2.96Å; R358-N361 PolarHBondContact O-N 3.4Å; R358-I362 HydrophobicContact CG-CD1 3.81Å; R358-I362 HydrophobicContact CG-CG1 4.48Å; R358-I362 WeakPolarHBondContact O-CB 3.22Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.42Å; R358-I362 PolarHBondContact O-N 2.81Å
359	K	85.3	Confident	87.9	Confident	163 Å²	163	63.9 Å²	63.9	71%	0.709	33%	0.33	S	S	*	.	H	α-helix	trans	-63.1	-37.9	177.9	-172.8	-177.2	177.4	-171.9	0	112	Q355 T356 A357 G363	Q355-K359 WeakPolarHBondContact O-CB 3.44Å; Q355-K359 PolarHBondContact O-N 2.69Å; T356-K359 PolarHBondContact O-N 3.38Å; T356-K359 VanDerWaalsContact O-N 3.16Å; A357-K359 PolarHBondContact O-N 3.01Å; K359-G363 PolarHBondContact O-N 2.91Å
360	I	90.7	Very high	87.9	Confident	100 Å²	100	63.9 Å²	63.9	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-47.5	176.1	-69	163.3	0	0	0	110.9	T356 A357 R358 G363 K364	T356-I360 HydrophobicContact CG2-CD1 4.3Å; T356-I360 WeakPolarHBondContact O-CG1 3.3Å; T356-I360 PolarHBondContact O-N 3.48Å; A357-I360 PolarHBondContact O-N 3.24Å; R358-I360 VanDerWaalsContact C-N 3.32Å; R358-I360 PolarHBondContact O-N 2.96Å; I360-G363 CarbonylContact O-C 3.6Å; I360-G363 WeakPolarHBondContact O-CA 3.24Å; I360-G363 PolarHBondContact O-N 2.74Å; I360-G363 VanDerWaalsContact O-N 3.1Å; I360-K364 PolarHBondContact O-N 3.07Å
361	N	92.1	Very high	87.9	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-69.9	-37.5	-178.9	-75.3	-5.7	0	0	0	112.7	A347 Y348 I349 A357 R358 G363 K364 F365	A347-N361 HydrophobicContact CB-CB 4.27Å; A347-N361 WeakPolarHBondContact CB-O 3.28Å; Y348-N361 WeakPolarHBondContact O-CB 3.34Å; Y348-N361 PolarHBondContact O-ND2 2.83Å; I349-N361 HydrophobicContact CG1-CB 4.41Å; A357-N361 PolarHBondContact O-N 3.39Å; R358-N361 PolarHBondContact O-N 3.4Å; N361-G363 VanDerWaalsContact C-N 3.28Å; N361-G363 PolarHBondContact O-N 3.38Å; N361-K364 PolarHBondContact O-N 3.44Å; N361-F365 PolarHBondContact O-N 3.49Å
362	I	89	Confident	88.5	Confident	40 Å²	40	63 Å²	63	21%	0.205	32%	0.324	C	S	.	.	H	α-helix	trans	-59.4	-43.5	167.3	-66.3	167.3	0	0	0	109.8	I349 R358 F365 V366 I383	I349-I362 HydrophobicContact CD1-CD1 4.18Å; I349-I362 HydrophobicContact CD1-CG1 3.45Å; I349-I362 VanDerWaalsContact CD1-CG1 3.45Å; R358-I362 HydrophobicContact CG-CD1 3.81Å; R358-I362 HydrophobicContact CG-CG1 4.48Å; R358-I362 WeakPolarHBondContact O-CB 3.22Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.42Å; R358-I362 PolarHBondContact O-N 2.81Å; I362-F365 PolarHBondContact O-N 2.98Å; I362-V366 HydrophobicContact CG2-CG2 3.95Å; I362-V366 WeakPolarHBondContact O-CB 3.18Å; I362-V366 VanDerWaalsContact O-CG2 3.3Å; I362-V366 WeakPolarHBondContact O-CG2 3.38Å; I362-V366 PolarHBondContact O-N 3.37Å; I362-I383 HydrophobicContact CD1-CD1 4.22Å; I362-I383 HydrophobicContact CD1-CG1 4.5Å; I362-I383 HydrophobicContact CD1-CG2 3.96Å; I362-I383 HydrophobicContact CG1-CG2 4.28Å
363	G	89.3	Confident	89.1	Confident	21 Å²	21	59.8 Å²	59.8	22%	0.216	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-47.3	176.3	0	0	0	0	0	113.1	K359 I360 N361 F365 V366 H367	K359-G363 PolarHBondContact O-N 2.91Å; I360-G363 CarbonylContact O-C 3.6Å; I360-G363 WeakPolarHBondContact O-CA 3.24Å; I360-G363 PolarHBondContact O-N 2.74Å; I360-G363 VanDerWaalsContact O-N 3.1Å; N361-G363 VanDerWaalsContact C-N 3.28Å; N361-G363 PolarHBondContact O-N 3.38Å; G363-F365 VanDerWaalsContact C-N 3.31Å; G363-F365 PolarHBondContact O-N 3.3Å; G363-V366 PolarHBondContact O-N 3.05Å; G363-H367 VanDerWaalsContact O-CB 3.29Å; G363-H367 WeakPolarHBondContact O-CB 3.47Å; G363-H367 PolarHBondContact O-CD2 3.42Å; G363-H367 PolarHBondContact O-N 3.28Å
364	K	92.3	Very high	89.6	Confident	68 Å²	68	59 Å²	59	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-53	-48.2	174.5	-78.8	-170	167.3	-149.5	0	111.5	E345 A347 I360 N361 R368 K369 A370	E345-K364 WeakPolarHBondContact OE1-CD 3.27Å; E345-K364 VanDerWaalsContact OE1-CE 3.32Å; E345-K364 WeakPolarHBondContact OE1-CE 3.45Å; E345-K364 IonicContact OE1-NZ 2.78Å; E345-K364 PolarHBondContact OE1-NZ 2.96Å; A347-K364 HydrophobicContact CB-CB 4.39Å; I360-K364 PolarHBondContact O-N 3.07Å; N361-K364 PolarHBondContact O-N 3.44Å; K364-R368 PolarHBondContact O-N 3.16Å; K364-K369 HydrophobicContact CB-CB 4.45Å; K364-K369 PolarHBondContact O-N 2.97Å; K364-A370 HydrophobicContact CB-CB 4.19Å; K364-A370 PolarHBondContact O-N 2.8Å
365	F	91.7	Very high	90	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-45.9	-177	-172.5	-106.1	0	0	0	112.9	Q321 V323 A347 N361 I362 G363 H367 R368 A370 M371 L373 I385 P386 L388	Q321-F365 HydrophobicContact CB-CE2 4.31Å; Q321-F365 HydrophobicContact CB-CZ 3.9Å; Q321-F365 PolarHBondContact NE2-O 3.38Å; V323-F365 HydrophobicContact CG2-CE1 4.37Å; V323-F365 HydrophobicContact CG2-CZ 3.94Å; A347-F365 HydrophobicContact CB-CB 4.24Å; N361-F365 PolarHBondContact O-N 3.49Å; I362-F365 PolarHBondContact O-N 2.98Å; G363-F365 VanDerWaalsContact C-N 3.31Å; G363-F365 PolarHBondContact O-N 3.3Å; F365-H367 VanDerWaalsContact C-N 3.28Å; F365-H367 PolarHBondContact O-N 2.93Å; F365-R368 PolarHBondContact O-N 2.87Å; F365-R368 VanDerWaalsContact O-N 3.09Å; F365-A370 WeakPolarHBondContact CD2-O 3.3Å; F365-M371 WeakPolarHBondContact CE2-O 3.42Å; F365-L373 HydrophobicContact CB-CB 4.5Å; F365-L373 HydrophobicContact CB-CD2 4.38Å; F365-L373 HydrophobicContact CD1-CB 4.28Å; F365-L373 HydrophobicContact CD1-CD2 3.65Å; F365-L373 HydrophobicContact CD2-CB 3.42Å; F365-L373 VanDerWaalsContact CD2-CB 3.42Å; F365-L373 HydrophobicContact CD2-CD2 4.33Å; F365-L373 HydrophobicContact CD2-CG 4.48Å; F365-L373 HydrophobicContact CE1-CB 4.35Å; F365-L373 HydrophobicContact CE1-CD2 3.91Å; F365-L373 HydrophobicContact CE2-CB 3.48Å; F365-L373 VanDerWaalsContact CE2-CB 3.48Å; F365-L373 HydrophobicContact CG-CB 3.82Å; F365-L373 HydrophobicContact CG-CD2 3.87Å; F365-L373 HydrophobicContact CG-CG 4.44Å; F365-L373 HydrophobicContact CZ-CB 3.96Å; F365-L373 HydrophobicContact CZ-CD2 4.32Å; F365-I385 HydrophobicContact CE1-CG2 4.05Å; F365-P386 HydrophobicContact CD1-CG 4.29Å; F365-P386 HydrophobicContact CE1-CG 4.06Å; F365-L388 HydrophobicContact CE1-CD2 3.74Å; F365-L388 HydrophobicContact CZ-CD2 3.58Å
366	V	88.3	Confident	90.8	Very high	69 Å²	69	52.1 Å²	52.1	42%	0.418	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-33.3	178.9	171.1	0	0	0	0	111.7	I362 G363 R368 P386	I362-V366 HydrophobicContact CG2-CG2 3.95Å; I362-V366 WeakPolarHBondContact O-CB 3.18Å; I362-V366 VanDerWaalsContact O-CG2 3.3Å; I362-V366 WeakPolarHBondContact O-CG2 3.38Å; I362-V366 PolarHBondContact O-N 3.37Å; G363-V366 PolarHBondContact O-N 3.05Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-P386 HydrophobicContact CG2-CG 4.36Å
367	H	89.8	Confident	90.7	Very high	142 Å²	142	48.9 Å²	48.9	66%	0.657	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	13.7	174.8	-61.7	-56.1	0	0	0	114.1	G363 F365 K369	G363-H367 VanDerWaalsContact O-CB 3.29Å; G363-H367 WeakPolarHBondContact O-CB 3.47Å; G363-H367 PolarHBondContact O-CD2 3.42Å; G363-H367 PolarHBondContact O-N 3.28Å; F365-H367 VanDerWaalsContact C-N 3.28Å; F365-H367 PolarHBondContact O-N 2.93Å; H367-K369 PolarHBondContact O-N 2.79Å; H367-K369 VanDerWaalsContact O-N 3.17Å
368	R	90.2	Very high	90.1	Very high	123 Å²	123	49.9 Å²	49.9	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	33	176.2	-62.8	-177.4	166.8	-126.6	-13.7	114.8	Q319 K364 F365 V366 M371	Q319-R368 PolarHBondContact O-NH1 3.35Å; K364-R368 PolarHBondContact O-N 3.16Å; F365-R368 PolarHBondContact O-N 2.87Å; F365-R368 VanDerWaalsContact O-N 3.09Å; V366-R368 VanDerWaalsContact C-N 3.33Å; R368-M371 HydrophobicContact CB-SD 3.91Å; R368-M371 HydrophobicContact CG-SD 4.18Å
369	K	91	Very high	89.7	Confident	145 Å²	145	48.7 Å²	48.7	63%	0.63	24%	0.236	S	C	*	.	S	Bend	trans	-80.9	-48.9	168.7	-60.6	-166.4	173	-163.9	0	110.4	K364 H367	K364-K369 HydrophobicContact CB-CB 4.45Å; K364-K369 PolarHBondContact O-N 2.97Å; H367-K369 PolarHBondContact O-N 2.79Å; H367-K369 VanDerWaalsContact O-N 3.17Å
370	A	91.9	Very high	89.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.			trans	-98.4	127.7	165.2	0	0	0	0	0	109.3	E345 A347 K364 F365	E345-A370 HydrophobicContact CG-CB 4.21Å; E345-A370 WeakPolarHBondContact O-CA 3.43Å; E345-A370 WeakPolarHBondContact O-CB 3.07Å; A347-A370 HydrophobicContact CB-CB 3.81Å; K364-A370 HydrophobicContact CB-CB 4.19Å; K364-A370 PolarHBondContact O-N 2.8Å; F365-A370 WeakPolarHBondContact CD2-O 3.3Å
371	M	92	Very high	88.3	Confident	41 Å²	41	38.6 Å²	38.6	20%	0.202	19%	0.189	C	C	.	.	S	Bend	trans	-91	-16.6	176.9	-66.5	-58.5	-66.2	0	0	112.8	Q319 Q321 T322 F365 R368	Q319-M371 VanDerWaalsContact O-CE 3.26Å; Q319-M371 WeakPolarHBondContact O-CE 3.29Å; Q321-M371 HydrophobicContact CG-CE 3.68Å; Q321-M371 HydrophobicContact CG-SD 4.34Å; T322-M371 PolarHBondContact N-O 3.35Å; F365-M371 WeakPolarHBondContact CE2-O 3.42Å; R368-M371 HydrophobicContact CB-SD 3.91Å; R368-M371 HydrophobicContact CG-SD 4.18Å
372	V	94.6	Very high	86.8	Confident	9 Å²	9	38.2 Å²	38.2	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.9	176.5	-174.1	0	0	0	0	109.8	L312 T322 V324 I344 A347 I374	L312-V372 HydrophobicContact CD1-CG1 4.24Å; L312-V372 HydrophobicContact CD1-CG2 4.29Å; L312-V372 HydrophobicContact CD2-CG1 4.31Å; L312-V372 HydrophobicContact CD2-CG2 3.8Å; T322-V372 CarbonylContact O-C 3.57Å; T322-V372 WeakPolarHBondContact O-CA 3.47Å; V324-V372 HydrophobicContact CG2-CG1 3.78Å; I344-V372 HydrophobicContact CG2-CG2 3.91Å; A347-V372 PolarHBondContact N-O 2.67Å; V372-I374 HydrophobicContact CG1-CG1 4.33Å
373	L	94.9	Very high	85.8	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.6	175.1	163.8	59.8	0	0	0	111	T322 V323 V324 A347 I349 F365 V375 I385	T322-L373 PolarHBondContact O-N 3.37Å; V323-L373 CarbonylContact C-O 3.35Å; V323-L373 VanDerWaalsContact CA-O 3.29Å; V323-L373 WeakPolarHBondContact CA-O 3.49Å; V323-L373 HydrophobicContact CG2-CB 4.06Å; V323-L373 HydrophobicContact CG2-CD2 4.11Å; V323-L373 HydrophobicContact CG2-CG 4.17Å; V324-L373 PolarHBondContact N-O 3.45Å; A347-L373 HydrophobicContact CB-CD1 4.11Å; A347-L373 CarbonylContact O-C 3.55Å; A347-L373 VanDerWaalsContact O-CA 3.3Å; A347-L373 WeakPolarHBondContact O-CA 3.36Å; I349-L373 HydrophobicContact CD1-CD1 3.91Å; I349-L373 HydrophobicContact CG1-CD1 3.87Å; F365-L373 HydrophobicContact CB-CB 4.5Å; F365-L373 HydrophobicContact CB-CD2 4.38Å; F365-L373 HydrophobicContact CD1-CB 4.28Å; F365-L373 HydrophobicContact CD1-CD2 3.65Å; F365-L373 HydrophobicContact CD2-CB 3.42Å; F365-L373 VanDerWaalsContact CD2-CB 3.42Å; F365-L373 HydrophobicContact CD2-CD2 4.33Å; F365-L373 HydrophobicContact CD2-CG 4.48Å; F365-L373 HydrophobicContact CE1-CB 4.35Å; F365-L373 HydrophobicContact CE1-CD2 3.91Å; F365-L373 HydrophobicContact CE2-CB 3.48Å; F365-L373 VanDerWaalsContact CE2-CB 3.48Å; F365-L373 HydrophobicContact CG-CB 3.82Å; F365-L373 HydrophobicContact CG-CD2 3.87Å; F365-L373 HydrophobicContact CG-CG 4.44Å; F365-L373 HydrophobicContact CZ-CB 3.96Å; F365-L373 HydrophobicContact CZ-CD2 4.32Å; L373-V375 HydrophobicContact CD1-CG1 3.63Å; L373-V375 HydrophobicContact CD2-CG1 4.42Å; L373-V375 HydrophobicContact CG-CG1 3.79Å; L373-I385 HydrophobicContact CD2-CD1 4.44Å; L373-I385 HydrophobicContact CD2-CG2 4.47Å
374	I	96.1	Very high	84.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.6	-177.2	-43.4	169.9	0	0	0	109.7	V324 V332 L335 N336 L339 C346 A347 Y348 I349 V372	V324-I374 HydrophobicContact CB-CG1 4.47Å; V324-I374 HydrophobicContact CB-CG2 4.35Å; V324-I374 WeakPolarHBondContact O-CA 3.37Å; V332-I374 HydrophobicContact CB-CG2 4.26Å; V332-I374 HydrophobicContact CG1-CB 4.19Å; V332-I374 HydrophobicContact CG1-CG2 4.01Å; V332-I374 HydrophobicContact CG2-CG2 4.15Å; L335-I374 HydrophobicContact CB-CD1 4.12Å; N336-I374 HydrophobicContact CB-CD1 4.13Å; L339-I374 HydrophobicContact CD1-CD1 4.05Å; C346-I374 HydrophobicContact CB-CD1 3.94Å; C346-I374 HydrophobicContact CB-CG1 4.36Å; A347-I374 PolarHBondContact O-N 3.09Å; Y348-I374 CarbonylContact C-O 3.58Å; Y348-I374 VanDerWaalsContact CA-O 3.29Å; Y348-I374 WeakPolarHBondContact CA-O 3.45Å; I349-I374 PolarHBondContact N-O 3.39Å; V372-I374 HydrophobicContact CG1-CG1 4.33Å
375	V	94.1	Very high	83.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.7	-171.7	-63.2	0	0	0	0	114.2	V323 V324 F325 A326 I349 L373 A380	V323-V375 HydrophobicContact CG1-CG2 3.6Å; V324-V375 PolarHBondContact O-N 3.26Å; F325-V375 WeakPolarHBondContact CA-O 3.45Å; F325-V375 HydrophobicContact CD1-CG2 3.77Å; F325-V375 HydrophobicContact CE1-CG2 3.78Å; F325-V375 HydrophobicContact CG-CG2 4.23Å; F325-V375 HydrophobicContact CZ-CG2 4.25Å; A326-V375 PolarHBondContact N-O 3.4Å; I349-V375 HydrophobicContact CB-CG1 4.15Å; I349-V375 WeakPolarHBondContact O-CA 3.48Å; L373-V375 HydrophobicContact CD1-CG1 3.63Å; L373-V375 HydrophobicContact CD2-CG1 4.42Å; L373-V375 HydrophobicContact CG-CG1 3.79Å; V375-A380 HydrophobicContact CB-CB 4.32Å; V375-A380 HydrophobicContact CG2-CB 3.93Å
376	T	92.9	Very high	82.6	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	156.5	163.5	70.5	0	0	0	0	111.7	V332 I349 V378 A379 A380	V332-T376 HydrophobicContact CG2-CG2 3.76Å; I349-T376 PolarHBondContact O-N 3.23Å; T376-V378 PolarHBondContact O-N 3.34Å; T376-V378 VanDerWaalsContact O-N 3.16Å; T376-A379 PolarHBondContact O-N 2.79Å; T376-A379 PolarHBondContact OG1-N 3.22Å; T376-A380 WeakPolarHBondContact O-CB 3.14Å; T376-A380 PolarHBondContact O-N 3.26Å
377	D	85	Confident	82.1	Confident	24 Å²	24	39.2 Å²	39.2	13%	0.128	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.3	174.4	-78.9	-59.4	0	0	0	114.2	R381 L402 R406	D377-R381 VanDerWaalsContact O-CD 3.3Å; D377-R381 WeakPolarHBondContact O-CD 3.3Å; D377-R381 WeakPolarHBondContact O-CG 3.31Å; D377-R381 PolarHBondContact O-NE 3.1Å; D377-L402 HydrophobicContact CB-CD1 4.26Å; D377-L402 HydrophobicContact CB-CD2 4.4Å; D377-L402 WeakPolarHBondContact OD1-CD1 3.33Å; D377-R406 IonicContact OD1-CZ 3.53Å; D377-R406 IonicContact OD1-NE 3.76Å; D377-R406 PolarHBondContact OD1-NE 2.94Å; D377-R406 IonicContact OD1-NH2 3.36Å; D377-R406 IonicContact OD2-CZ 3.47Å; D377-R406 IonicContact OD2-NE 2.69Å; D377-R406 IonicContact OD2-NH2 2.71Å; D377-R406 PolarHBondContact OD2-NH2 3.31Å
378	V	75.1	Confident	82	Confident	51 Å²	51	32.5 Å²	32.5	31%	0.309	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-47.9	178.8	-177.3	0	0	0	0	109.8	S351 T376 R381	S351-V378 WeakPolarHBondContact OG-CB 3.17Å; S351-V378 VanDerWaalsContact OG-CG1 3.25Å; S351-V378 WeakPolarHBondContact OG-CG1 3.45Å; T376-V378 PolarHBondContact O-N 3.34Å; T376-V378 VanDerWaalsContact O-N 3.16Å; V378-R381 WeakPolarHBondContact O-CB 3.43Å; V378-R381 PolarHBondContact O-N 3.48Å
379	A	77.2	Confident	82	Confident	6 Å²	6	27.9 Å²	27.9	5%	0.05	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.2	-179.8	0	0	0	0	0	113.8	I349 T376 R381 I383	I349-A379 HydrophobicContact CG2-CB 4.14Å; I349-A379 WeakPolarHBondContact O-CB 3.29Å; T376-A379 PolarHBondContact O-N 2.79Å; T376-A379 PolarHBondContact OG1-N 3.22Å; A379-R381 PolarHBondContact O-N 3.37Å; A379-I383 WeakPolarHBondContact O-CD1 3.16Å; A379-I383 WeakPolarHBondContact O-CG1 3.41Å
380	A	74.6	Confident	82.1	Confident	7 Å²	7	21.2 Å²	21.2	6%	0.058	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.3	177.9	0	0	0	0	0	114.4	F325 V375 T376 I385 R409	F325-A380 HydrophobicContact CD1-CB 4.42Å; F325-A380 HydrophobicContact CE1-CB 3.52Å; F325-A380 HydrophobicContact CZ-CB 4.23Å; V375-A380 HydrophobicContact CB-CB 4.32Å; V375-A380 HydrophobicContact CG2-CB 3.93Å; T376-A380 WeakPolarHBondContact O-CB 3.14Å; T376-A380 PolarHBondContact O-N 3.26Å; A380-I385 HydrophobicContact CB-CD1 4.48Å; A380-R409 PolarHBondContact O-NH2 3.09Å
381	R	72.7	Confident	82.3	Confident	44 Å²	44	21.2 Å²	21.2	17%	0.166	12%	0.116	C	C	.	.	S	Bend	trans	-83.7	146.6	172.5	-64.5	157.3	179.3	-122.1	-14.3	109.8	E235 D377 V378 A379 I383	E235-R381 IonicContact OE2-CZ 2.71Å; E235-R381 IonicContact OE2-NH1 3.21Å; E235-R381 PolarHBondContact OE2-NH1 2.63Å; E235-R381 IonicContact OE2-NH2 3.3Å; E235-R381 PolarHBondContact OE2-NH2 3.02Å; D377-R381 VanDerWaalsContact O-CD 3.3Å; D377-R381 WeakPolarHBondContact O-CD 3.3Å; D377-R381 WeakPolarHBondContact O-CG 3.31Å; D377-R381 PolarHBondContact O-NE 3.1Å; V378-R381 WeakPolarHBondContact O-CB 3.43Å; V378-R381 PolarHBondContact O-N 3.48Å; A379-R381 PolarHBondContact O-N 3.37Å; R381-I383 PolarHBondContact O-N 3.13Å
382	G	60.9	Low	82.5	Confident	4 Å²	4	19.2 Å²	19.2	4%	0.041	11%	0.106	C	C	.	.	S	Bend	trans	73.7	-37.2	-179.1	0	0	0	0	0	115.8	T156 Q162 D384	T156-G382 WeakPolarHBondContact OG1-CA 3.46Å; Q162-G382 PolarHBondContact NE2-O 2.74Å; G382-D384 PolarHBondContact O-N 3.12Å
383	I	68.3	Low	82.6	Confident	6 Å²	6	18.8 Å²	18.8	3%	0.031	10%	0.104	C	C	.	.			trans	-62.3	129.2	178.6	-55.5	-176.5	0	0	0	110.4	E158 I349 I362 A379 R381 I385 R409	E158-I383 HydrophobicContact CG-CG1 4.26Å; I349-I383 HydrophobicContact CD1-CD1 3.68Å; I349-I383 HydrophobicContact CG2-CD1 4.02Å; I362-I383 HydrophobicContact CD1-CD1 4.22Å; I362-I383 HydrophobicContact CD1-CG1 4.5Å; I362-I383 HydrophobicContact CD1-CG2 3.96Å; I362-I383 HydrophobicContact CG1-CG2 4.28Å; A379-I383 WeakPolarHBondContact O-CD1 3.16Å; A379-I383 WeakPolarHBondContact O-CG1 3.41Å; R381-I383 PolarHBondContact O-N 3.13Å; I383-I385 HydrophobicContact CB-CG1 4.21Å; I383-I385 HydrophobicContact CG2-CG1 3.74Å; I383-I385 PolarHBondContact O-N 3.39Å; I383-R409 VanDerWaalsContact O-CZ 3.3Å; I383-R409 PolarHBondContact O-NH1 2.84Å; I383-R409 PolarHBondContact O-NH2 2.99Å
384	D	66.8	Low	82.7	Confident	99 Å²	99	19.2 Å²	19.2	53%	0.529	11%	0.105	S	C	.	.			trans	-79.8	75.6	167.2	-163.3	22.5	0	0	0	109.5	Q162 G382	Q162-D384 HydrophobicContact CG-CB 4.24Å; G382-D384 PolarHBondContact O-N 3.12Å
385	I	71.4	Confident	82.7	Confident	6 Å²	6	19.3 Å²	19.3	3%	0.031	11%	0.106	C	C	.	.			trans	-66.5	125.5	167.6	-56.2	178.9	0	0	0	106.7	V323 F365 L373 A380 I383 L388	V323-I385 HydrophobicContact CG2-CG2 4.02Å; F365-I385 HydrophobicContact CE1-CG2 4.05Å; L373-I385 HydrophobicContact CD2-CD1 4.44Å; L373-I385 HydrophobicContact CD2-CG2 4.47Å; A380-I385 HydrophobicContact CB-CD1 4.48Å; I383-I385 HydrophobicContact CB-CG1 4.21Å; I383-I385 HydrophobicContact CG2-CG1 3.74Å; I383-I385 PolarHBondContact O-N 3.39Å; I385-L388 HydrophobicContact CG2-CD1 4.13Å; I385-L388 HydrophobicContact CG2-CD2 3.7Å; I385-L388 HydrophobicContact CG2-CG 4.01Å
386	P	67.9	Low	82.7	Confident	41 Å²	41	19.4 Å²	19.4	27%	0.266	11%	0.106	S	C	.	.			trans	-63.5	174.7	-176.8	27.3	-36.3	0	0	0	112.5	F365 V366 L388	F365-P386 HydrophobicContact CD1-CG 4.29Å; F365-P386 HydrophobicContact CE1-CG 4.06Å; V366-P386 HydrophobicContact CG2-CG 4.36Å; P386-L388 WeakPolarHBondContact O-CG 3.23Å; P386-L388 PolarHBondContact O-N 3.02Å
387	L	76.9	Confident	82.7	Confident	69 Å²	69	19.3 Å²	19.3	36%	0.361	11%	0.105	S	C	.	.			trans	-54.3	106.3	173.7	-80.7	123.6	0	0	0	110.9	R412 A413	L387-R412 HydrophobicContact CD2-CB 3.59Å; L387-R412 WeakPolarHBondContact CD2-O 3.24Å; L387-R412 HydrophobicContact CG-CB 4.4Å; L387-A413 HydrophobicContact CD2-CB 4.09Å
388	L	87.5	Confident	83	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.01	11%	0.106	C	C	.	.			trans	-81.7	154.2	178.3	-61	-177.8	0	0	0	111.6	Q321 V323 F365 I385 P386 V391 R409 V410	Q321-L388 HydrophobicContact CB-CD2 4.41Å; V323-L388 HydrophobicContact CB-CD1 3.7Å; V323-L388 HydrophobicContact CG2-CD1 3.42Å; V323-L388 VanDerWaalsContact CG2-CD1 3.42Å; V323-L388 HydrophobicContact CG2-CD2 3.66Å; V323-L388 HydrophobicContact CG2-CG 4.18Å; F365-L388 HydrophobicContact CE1-CD2 3.74Å; F365-L388 HydrophobicContact CZ-CD2 3.58Å; I385-L388 HydrophobicContact CG2-CD1 4.13Å; I385-L388 HydrophobicContact CG2-CD2 3.7Å; I385-L388 HydrophobicContact CG2-CG 4.01Å; P386-L388 WeakPolarHBondContact O-CG 3.23Å; P386-L388 PolarHBondContact O-N 3.02Å; L388-V391 HydrophobicContact CD1-CG2 3.65Å; L388-R409 HydrophobicContact CD1-CB 3.7Å; L388-R409 HydrophobicContact CG-CB 4.34Å; L388-V410 HydrophobicContact CB-CG1 3.62Å
389	D	91	Very high	83.5	Confident	26 Å²	26	22 Å²	22	14%	0.139	11%	0.114	C	C	.	.	S	Bend	trans	-90.5	-47	167.3	-63.5	-74.9	0	0	0	110.2	E320 Q321 V410 R415 G417 T418	E320-D389 HydrophobicContact CB-CB 3.69Å; E320-D389 HydrophobicContact CG-CB 3.91Å; Q321-D389 PolarHBondContact N-OD2 2.85Å; Q321-D389 PolarHBondContact O-N 2.91Å; Q321-D389 VanDerWaalsContact O-N 3.14Å; D389-V410 WeakPolarHBondContact O-CG1 3.46Å; D389-R415 VanDerWaalsContact CG-NH2 3.25Å; D389-R415 IonicContact OD1-CZ 2.69Å; D389-R415 IonicContact OD1-NH2 2.66Å; D389-R415 PolarHBondContact OD1-NH2 2.81Å; D389-R415 IonicContact OD2-NH2 3.58Å; D389-R415 PolarHBondContact OD2-NH2 3.49Å; D389-G417 CarbonylContact O-C 3.54Å; D389-G417 WeakPolarHBondContact O-CA 3.45Å; D389-T418 PolarHBondContact O-N 3.43Å
390	N	93.3	Very high	84	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.9	-174.2	-63.7	-53.5	0	0	0	112.9	E320 Q321 T322 V323 T418 Y420	E320-N390 PolarHBondContact OE2-ND2 2.75Å; Q321-N390 PolarHBondContact O-N 2.97Å; T322-N390 WeakPolarHBondContact CA-O 3.46Å; T322-N390 HydrophobicContact CG2-CB 3.96Å; V323-N390 PolarHBondContact N-O 2.84Å; V323-N390 VanDerWaalsContact N-O 3.14Å; N390-T418 CarbonylContact C-O 3.58Å; N390-T418 WeakPolarHBondContact CA-O 3.36Å; N390-Y420 HydrophobicContact CB-CE2 4.12Å; N390-Y420 WeakPolarHBondContact OD1-CE2 3.34Å
391	V	94.3	Very high	84.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.7	167.5	160.5	0	0	0	0	109.2	V323 F325 L388 V407 V410 T418 A419 Y420	V323-V391 WeakPolarHBondContact O-CA 3.36Å; F325-V391 HydrophobicContact CD2-CG1 3.95Å; F325-V391 HydrophobicContact CE2-CG1 3.92Å; F325-V391 HydrophobicContact CE2-CG2 4.33Å; L388-V391 HydrophobicContact CD1-CG2 3.65Å; V391-V407 HydrophobicContact CG1-CG2 4.41Å; V391-V410 HydrophobicContact CB-CG1 4.42Å; V391-V410 HydrophobicContact CG2-CG1 3.88Å; V391-T418 PolarHBondContact N-O 2.74Å; V391-A419 CarbonylContact O-C 3.54Å; V391-A419 WeakPolarHBondContact O-CA 3.04Å; V391-Y420 PolarHBondContact O-N 3.18Å
392	I	96.6	Very high	84.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.2	175.1	-57.6	179.8	0	0	0	108.8	L308 L311 L312 T322 V323 V324 F325 Y394 Y420 M422	L308-I392 HydrophobicContact CD1-CD1 4.02Å; L308-I392 HydrophobicContact CD1-CG2 3.97Å; L311-I392 HydrophobicContact CB-CD1 4.31Å; L312-I392 HydrophobicContact CD2-CD1 3.8Å; L312-I392 HydrophobicContact CG-CD1 4.24Å; T322-I392 HydrophobicContact CG2-CD1 3.77Å; T322-I392 HydrophobicContact CG2-CG1 3.91Å; V323-I392 PolarHBondContact O-N 2.82Å; V324-I392 CarbonylContact C-O 3.56Å; V324-I392 WeakPolarHBondContact CA-O 3.33Å; V324-I392 HydrophobicContact CG1-CG2 4.49Å; V324-I392 HydrophobicContact CG2-CB 4.29Å; V324-I392 HydrophobicContact CG2-CD1 4.37Å; F325-I392 PolarHBondContact N-O 3.05Å; I392-Y394 PolarHBondContact O-N 3.21Å; I392-Y420 CarbonylContact C-O 3.6Å; I392-Y420 WeakPolarHBondContact CA-O 3.46Å; I392-Y420 HydrophobicContact CG1-CD2 4.05Å; I392-M422 HydrophobicContact CG2-CE 3.87Å
393	N	97	Very high	86.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	94.8	167.4	-61.2	-67.3	0	0	0	108.7	R406 Y420 S421 M422	N393-R406 WeakPolarHBondContact OD1-CD 3.42Å; N393-R406 PolarHBondContact OD1-NH1 2.91Å; N393-Y420 PolarHBondContact N-O 3.38Å; N393-S421 PolarHBondContact ND2-OG 3.39Å; N393-M422 WeakPolarHBondContact O-CB 3.43Å; N393-M422 PolarHBondContact O-N 3.45Å
394	Y	97.3	Very high	87	Confident	12 Å²	12	27.8 Å²	27.8	5%	0.047	14%	0.143	C	C	.	.	S	Bend	trans	-70.3	-46.4	176.9	-178.4	-90.7	0	0	0	110.9	K304 L308 F325 H331 L335 I392 M422	K304-Y394 HydrophobicContact CB-CD2 4.39Å; K304-Y394 HydrophobicContact CB-CE1 4.43Å; K304-Y394 HydrophobicContact CB-CE2 3.63Å; K304-Y394 HydrophobicContact CD-CE1 4.33Å; K304-Y394 WeakPolarHBondContact CD-O 3.33Å; K304-Y394 PolarHBondContact NZ-O 2.67Å; L308-Y394 HydrophobicContact CB-CD2 4.27Å; L308-Y394 HydrophobicContact CB-CE2 4.29Å; L308-Y394 HydrophobicContact CD1-CD2 4.47Å; L308-Y394 HydrophobicContact CD2-CD2 3.94Å; L308-Y394 HydrophobicContact CD2-CE2 4.1Å; L308-Y394 HydrophobicContact CG-CD2 4.46Å; F325-Y394 WeakPolarHBondContact O-CB 3.23Å; F325-Y394 PolarHBondContact O-N 3.5Å; H331-Y394 AromaticContact CD2-CE1 4Å; L335-Y394 HydrophobicContact CD1-CD1 4Å; L335-Y394 HydrophobicContact CD1-CD2 4.01Å; L335-Y394 HydrophobicContact CD1-CE1 4.04Å; L335-Y394 HydrophobicContact CD1-CE2 4.02Å; L335-Y394 HydrophobicContact CD1-CG 4Å; L335-Y394 HydrophobicContact CD2-CE2 3.98Å; I392-Y394 PolarHBondContact O-N 3.21Å; Y394-M422 HydrophobicContact CD2-CE 4.33Å; Y394-M422 HydrophobicContact CD2-SD 3.66Å; Y394-M422 HydrophobicContact CE2-SD 4.27Å; Y394-M422 HydrophobicContact CG-SD 4.3Å
395	N	95.3	Very high	87.7	Confident	2 Å²	2	26 Å²	26	1%	0.011	13%	0.131	C	C	.	.	S	Bend	trans	-104	135.3	162.8	-59.8	106.1	0	0	0	109.5	F325 A327 R406 Y493	F325-N395 PolarHBondContact O-N 3.36Å; A327-N395 HydrophobicContact CB-CB 3.71Å; A327-N395 WeakPolarHBondContact CB-OD1 3.3Å; A327-N395 PolarHBondContact N-OD1 3.17Å; N395-R406 PolarHBondContact O-NH1 3.11Å; N395-R406 PolarHBondContact O-NH2 3.13Å; N395-Y493 VanDerWaalsContact ND2-CE2 3.29Å; N395-Y493 WeakPolarHBondContact ND2-CE2 3.19Å
396	F	95.4	Very high	88.5	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.13	C	C	.	.			trans	-73.2	134	-178.9	-160.9	-93.4	0	0	0	111.2	F296 F403 V423 E427 V431 L434	F296-F396 HydrophobicContact CD1-CE2 4.08Å; F296-F396 AromaticContact CE1-CE2 3.88Å; F296-F396 HydrophobicContact CE1-CE2 3.88Å; F296-F396 HydrophobicContact CE1-CZ 4.25Å; F396-F403 HydrophobicContact CE2-CD2 4.06Å; F396-F403 AromaticContact CE2-CE2 3.94Å; F396-F403 HydrophobicContact CE2-CE2 3.94Å; F396-F403 AromaticContact CZ-CD2 4Å; F396-F403 HydrophobicContact CZ-CD2 4Å; F396-F403 HydrophobicContact CZ-CE2 4.2Å; F396-V423 HydrophobicContact CD2-CG2 3.81Å; F396-V423 HydrophobicContact CE2-CG2 4.22Å; F396-V423 HydrophobicContact CG-CG2 4.5Å; F396-E427 HydrophobicContact CB-CB 3.85Å; F396-E427 HydrophobicContact CB-CG 3.91Å; F396-E427 PolarHBondContact N-OE1 3.4Å; F396-V431 HydrophobicContact CD1-CG2 4.4Å; F396-V431 HydrophobicContact CD2-CG2 4.35Å; F396-V431 HydrophobicContact CE1-CG2 4Å; F396-V431 HydrophobicContact CE2-CG2 3.94Å; F396-V431 HydrophobicContact CZ-CB 4.49Å; F396-V431 HydrophobicContact CZ-CG2 3.75Å; F396-L434 HydrophobicContact CZ-CD2 3.86Å
397	P	92.8	Very high	89.4	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.118	C	C	.	.			trans	-73	134.2	-176.3	28.5	-33.6	0	0	0	112	K399 L402 F403	P397-K399 PolarHBondContact O-N 3.26Å; P397-L402 HydrophobicContact CB-CB 4.13Å; P397-L402 HydrophobicContact CB-CD2 3.96Å; P397-L402 HydrophobicContact CB-CG 3.98Å; P397-F403 HydrophobicContact CG-CB 3.64Å; P397-F403 HydrophobicContact CG-CD2 3.81Å; P397-F403 HydrophobicContact CG-CG 4.23Å
398	S	89.8	Confident	89.5	Confident	20 Å²	20	21.7 Å²	21.7	14%	0.14	11%	0.112	C	C	.	.	S	Bend	trans	-72	2.4	-177.1	56.8	0	0	0	0	116.1
399	K	87.4	Confident	89.1	Confident	111 Å²	111	22.7 Å²	22.7	48%	0.483	12%	0.115	S	C	.	.	S	Bend	trans	-143.9	132	178.9	-63.3	-177.2	-176.6	175.1	0	110	P397 K401 L402 F403	P397-K399 PolarHBondContact O-N 3.26Å; K399-K401 VanDerWaalsContact C-N 3.25Å; K399-K401 PolarHBondContact O-N 3.33Å; K399-L402 HydrophobicContact CB-CB 4.2Å; K399-L402 WeakPolarHBondContact O-CA 3.4Å; K399-L402 VanDerWaalsContact O-CB 3.32Å; K399-L402 WeakPolarHBondContact O-CB 3.45Å; K399-L402 PolarHBondContact O-N 3.23Å; K399-F403 PolarHBondContact O-N 3.22Å; K399-F403 VanDerWaalsContact O-N 3.16Å
400	A	87.4	Confident	88.6	Confident	17 Å²	17	21.5 Å²	21.5	14%	0.14	11%	0.109	C	C	.	.	H	α-helix	trans	-55.2	-37.5	177.5	0	0	0	0	0	113.6	L402 F403 L404 L434 F437	A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 3.32Å; A400-F403 WeakPolarHBondContact O-CB 3.44Å; A400-F403 PolarHBondContact O-N 3.42Å; A400-L404 PolarHBondContact O-N 3.38Å; A400-L434 HydrophobicContact CB-CB 4.41Å; A400-L434 HydrophobicContact CB-CD1 3.92Å; A400-F437 HydrophobicContact CB-CB 3.54Å; A400-F437 HydrophobicContact CB-CD1 3.51Å; A400-F437 HydrophobicContact CB-CD2 4.28Å; A400-F437 HydrophobicContact CB-CE1 4.3Å; A400-F437 HydrophobicContact CB-CG 3.5Å; A400-F437 VanDerWaalsContact CB-CG 3.5Å
401	K	80.9	Confident	87.4	Confident	103 Å²	103	21.9 Å²	21.9	45%	0.448	11%	0.113	S	C	.	.	H	α-helix	trans	-61.3	-34.7	173.3	-66.6	-177.7	174.2	-177	0	113.2	T261 K399 L404 H405 F437	T261-K401 HydrophobicContact CG2-CD 4.24Å; K399-K401 VanDerWaalsContact C-N 3.25Å; K399-K401 PolarHBondContact O-N 3.33Å; K401-L404 PolarHBondContact O-N 2.84Å; K401-H405 PolarHBondContact O-CD2 2.96Å; K401-H405 VanDerWaalsContact O-CG 3.28Å; K401-H405 PolarHBondContact O-N 3.18Å; K401-F437 HydrophobicContact CG-CE2 4.22Å; K401-F437 HydrophobicContact CG-CZ 3.96Å
402	L	84.3	Confident	86.3	Confident	27 Å²	27	25.4 Å²	25.4	14%	0.141	13%	0.127	C	C	.	.	H	α-helix	trans	-73.1	-40.8	178.5	-174.4	61.8	0	0	0	110.8	D377 P397 K399 A400 L404 H405 R406	D377-L402 HydrophobicContact CB-CD1 4.26Å; D377-L402 HydrophobicContact CB-CD2 4.4Å; D377-L402 WeakPolarHBondContact OD1-CD1 3.33Å; P397-L402 HydrophobicContact CB-CB 4.13Å; P397-L402 HydrophobicContact CB-CD2 3.96Å; P397-L402 HydrophobicContact CB-CG 3.98Å; K399-L402 HydrophobicContact CB-CB 4.2Å; K399-L402 WeakPolarHBondContact O-CA 3.4Å; K399-L402 VanDerWaalsContact O-CB 3.32Å; K399-L402 WeakPolarHBondContact O-CB 3.45Å; K399-L402 PolarHBondContact O-N 3.23Å; A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 3.32Å; L402-L404 VanDerWaalsContact C-N 3.31Å; L402-L404 PolarHBondContact O-N 2.82Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.37Å; L402-H405 VanDerWaalsContact O-N 3.1Å; L402-R406 WeakPolarHBondContact O-CG 3.45Å; L402-R406 PolarHBondContact O-N 3.36Å
403	F	89.9	Confident	84.6	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-49.8	168.3	-174.4	-90.7	0	0	0	111.3	L294 F296 F396 P397 K399 A400 H405 R406 V407 L434	L294-F403 HydrophobicContact CD1-CE1 4.17Å; L294-F403 HydrophobicContact CD1-CZ 4.29Å; L294-F403 HydrophobicContact CD2-CE1 3.98Å; L294-F403 HydrophobicContact CD2-CZ 3.9Å; F296-F403 HydrophobicContact CE1-CE2 4.07Å; F296-F403 HydrophobicContact CE1-CZ 4.07Å; F296-F403 HydrophobicContact CZ-CZ 4.13Å; F396-F403 HydrophobicContact CE2-CD2 4.06Å; F396-F403 AromaticContact CE2-CE2 3.94Å; F396-F403 HydrophobicContact CE2-CE2 3.94Å; F396-F403 AromaticContact CZ-CD2 4Å; F396-F403 HydrophobicContact CZ-CD2 4Å; F396-F403 HydrophobicContact CZ-CE2 4.2Å; P397-F403 HydrophobicContact CG-CB 3.64Å; P397-F403 HydrophobicContact CG-CD2 3.81Å; P397-F403 HydrophobicContact CG-CG 4.23Å; K399-F403 PolarHBondContact O-N 3.22Å; K399-F403 VanDerWaalsContact O-N 3.16Å; A400-F403 WeakPolarHBondContact O-CB 3.44Å; A400-F403 PolarHBondContact O-N 3.42Å; F403-H405 VanDerWaalsContact C-N 3.26Å; F403-H405 PolarHBondContact O-N 2.94Å; F403-R406 PolarHBondContact O-N 2.86Å; F403-R406 VanDerWaalsContact O-N 3.14Å; F403-V407 HydrophobicContact CD1-CB 4.48Å; F403-V407 HydrophobicContact CD1-CG2 4.01Å; F403-V407 HydrophobicContact CD2-CG2 4.37Å; F403-V407 HydrophobicContact CE1-CB 4.3Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CE2-CG2 4.11Å; F403-V407 HydrophobicContact CG-CG2 4.33Å; F403-V407 HydrophobicContact CZ-CG2 3.78Å; F403-V407 WeakPolarHBondContact O-CB 3.22Å; F403-V407 WeakPolarHBondContact O-CG2 3.47Å; F403-V407 PolarHBondContact O-N 3.02Å; F403-L434 HydrophobicContact CB-CD1 4.07Å; F403-L434 HydrophobicContact CB-CD2 4.47Å; F403-L434 HydrophobicContact CD1-CD1 3.64Å; F403-L434 HydrophobicContact CD1-CD2 3.64Å; F403-L434 HydrophobicContact CD1-CG 4.31Å; F403-L434 HydrophobicContact CD2-CD2 3.79Å; F403-L434 HydrophobicContact CE1-CD1 4.26Å; F403-L434 HydrophobicContact CE1-CD2 3.65Å; F403-L434 HydrophobicContact CE2-CD2 3.79Å; F403-L434 HydrophobicContact CG-CD1 3.95Å; F403-L434 HydrophobicContact CG-CD2 3.71Å; F403-L434 HydrophobicContact CG-CG 4.5Å; F403-L434 HydrophobicContact CZ-CD2 3.71Å
404	L	84	Confident	83.1	Confident	40 Å²	40	33.4 Å²	33.4	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-28.8	179.1	-145.8	74.6	0	0	0	113	L288 A400 K401 L402 G408 L438	L288-L404 HydrophobicContact CD1-CD1 3.75Å; A400-L404 PolarHBondContact O-N 3.38Å; K401-L404 PolarHBondContact O-N 2.84Å; L402-L404 VanDerWaalsContact C-N 3.31Å; L402-L404 PolarHBondContact O-N 2.82Å; L404-G408 WeakPolarHBondContact O-CA 3.37Å; L404-G408 PolarHBondContact O-N 3.45Å; L404-L438 HydrophobicContact CD1-CD2 4.27Å
405	H	81.3	Confident	82.1	Confident	62 Å²	62	37.6 Å²	37.6	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-74.5	-36.1	172.8	-69.9	169.6	0	0	0	113.7	K401 L402 F403	K401-H405 PolarHBondContact O-CD2 2.96Å; K401-H405 VanDerWaalsContact O-CG 3.28Å; K401-H405 PolarHBondContact O-N 3.18Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.37Å; L402-H405 VanDerWaalsContact O-N 3.1Å; F403-H405 VanDerWaalsContact C-N 3.26Å; F403-H405 PolarHBondContact O-N 2.94Å
406	R	87.8	Confident	81.6	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-56.2	174.4	-65.1	-176.6	179.1	-175.7	0.7	110.9	F325 D377 N393 N395 L402 F403 G408 R409	F325-R406 HydrophobicContact CD1-CB 4.42Å; F325-R406 HydrophobicContact CD1-CG 3.66Å; F325-R406 HydrophobicContact CD2-CB 4.06Å; F325-R406 HydrophobicContact CD2-CG 4.1Å; F325-R406 HydrophobicContact CE1-CB 4.16Å; F325-R406 HydrophobicContact CE1-CG 3.64Å; F325-R406 HydrophobicContact CE2-CB 3.77Å; F325-R406 HydrophobicContact CE2-CG 4.08Å; F325-R406 HydrophobicContact CG-CB 4.37Å; F325-R406 HydrophobicContact CG-CG 3.9Å; F325-R406 HydrophobicContact CZ-CB 3.82Å; F325-R406 HydrophobicContact CZ-CG 3.86Å; D377-R406 IonicContact OD1-CZ 3.53Å; D377-R406 IonicContact OD1-NE 3.76Å; D377-R406 PolarHBondContact OD1-NE 2.94Å; D377-R406 IonicContact OD1-NH2 3.36Å; D377-R406 IonicContact OD2-CZ 3.47Å; D377-R406 IonicContact OD2-NE 2.69Å; D377-R406 IonicContact OD2-NH2 2.71Å; D377-R406 PolarHBondContact OD2-NH2 3.31Å; N393-R406 WeakPolarHBondContact OD1-CD 3.42Å; N393-R406 PolarHBondContact OD1-NH1 2.91Å; N395-R406 PolarHBondContact O-NH1 3.11Å; N395-R406 PolarHBondContact O-NH2 3.13Å; L402-R406 WeakPolarHBondContact O-CG 3.45Å; L402-R406 PolarHBondContact O-N 3.36Å; F403-R406 PolarHBondContact O-N 2.86Å; F403-R406 VanDerWaalsContact O-N 3.14Å; R406-G408 VanDerWaalsContact C-N 3.32Å; R406-G408 PolarHBondContact O-N 2.86Å; R406-R409 WeakPolarHBondContact O-CB 3.46Å; R406-R409 VanDerWaalsContact O-CG 3.32Å; R406-R409 WeakPolarHBondContact O-CG 3.35Å; R406-R409 PolarHBondContact O-N 2.85Å
407	V	86.9	Confident	81.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-29.5	-176.5	176.6	0	0	0	0	111.6	L288 I292 L294 V391 F403 R409 V410 A419	L288-V407 HydrophobicContact CD1-CG1 3.89Å; I292-V407 HydrophobicContact CD1-CG1 4.27Å; I292-V407 HydrophobicContact CG2-CG1 3.63Å; L294-V407 HydrophobicContact CD2-CG1 4.14Å; V391-V407 HydrophobicContact CG1-CG2 4.41Å; F403-V407 HydrophobicContact CD1-CB 4.48Å; F403-V407 HydrophobicContact CD1-CG2 4.01Å; F403-V407 HydrophobicContact CD2-CG2 4.37Å; F403-V407 HydrophobicContact CE1-CB 4.3Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CE2-CG2 4.11Å; F403-V407 HydrophobicContact CG-CG2 4.33Å; F403-V407 HydrophobicContact CZ-CG2 3.78Å; F403-V407 WeakPolarHBondContact O-CB 3.22Å; F403-V407 WeakPolarHBondContact O-CG2 3.47Å; F403-V407 PolarHBondContact O-N 3.02Å; V407-R409 PolarHBondContact O-N 2.98Å; V407-V410 HydrophobicContact CG1-CG2 4.14Å; V407-V410 WeakPolarHBondContact O-CG2 3.32Å; V407-V410 PolarHBondContact O-N 2.94Å; V407-A419 HydrophobicContact CB-CB 4.29Å; V407-A419 HydrophobicContact CG1-CB 3.67Å; V407-A419 HydrophobicContact CG2-CB 3.67Å
408	G	79.2	Confident	81.2	Confident	23 Å²	23	42.8 Å²	42.8	24%	0.237	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	13.1	170.8	0	0	0	0	0	115.7	L404 R406 R412	L404-G408 WeakPolarHBondContact O-CA 3.37Å; L404-G408 PolarHBondContact O-N 3.45Å; R406-G408 VanDerWaalsContact C-N 3.32Å; R406-G408 PolarHBondContact O-N 2.86Å; G408-R412 PolarHBondContact O-NE 2.87Å; G408-R412 PolarHBondContact O-NH2 2.93Å
409	R	79.1	Confident	81.4	Confident	23 Å²	23	41.9 Å²	41.9	9%	0.087	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-28.3	166.8	-62.9	-64.4	-168.6	156.5	5.2	113.1	A380 I383 L388 R406 V407	A380-R409 PolarHBondContact O-NH2 3.09Å; I383-R409 VanDerWaalsContact O-CZ 3.3Å; I383-R409 PolarHBondContact O-NH1 2.84Å; I383-R409 PolarHBondContact O-NH2 2.99Å; L388-R409 HydrophobicContact CD1-CB 3.7Å; L388-R409 HydrophobicContact CG-CB 4.34Å; R406-R409 WeakPolarHBondContact O-CB 3.46Å; R406-R409 VanDerWaalsContact O-CG 3.32Å; R406-R409 WeakPolarHBondContact O-CG 3.35Å; R406-R409 PolarHBondContact O-N 2.85Å; V407-R409 PolarHBondContact O-N 2.98Å
410	V	81.3	Confident	81.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-86.1	175	167.6	-68.6	0	0	0	0	110.8	I292 L388 D389 V391 V407 R412	I292-V410 HydrophobicContact CD1-CG2 4.21Å; I292-V410 HydrophobicContact CG1-CG2 4.16Å; I292-V410 HydrophobicContact CG2-CG2 3.88Å; L388-V410 HydrophobicContact CB-CG1 3.62Å; D389-V410 WeakPolarHBondContact O-CG1 3.46Å; V391-V410 HydrophobicContact CB-CG1 4.42Å; V391-V410 HydrophobicContact CG2-CG1 3.88Å; V407-V410 HydrophobicContact CG1-CG2 4.14Å; V407-V410 WeakPolarHBondContact O-CG2 3.32Å; V407-V410 PolarHBondContact O-N 2.94Å; V410-R412 VanDerWaalsContact C-N 3.34Å; V410-R412 PolarHBondContact O-N 2.74Å
411	G	68.6	Low	82.2	Confident	11 Å²	11	36.5 Å²	36.5	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	68.2	24.8	168.4	0	0	0	0	0	116.2	R415	G411-R415 CarbonylContact C-O 3.59Å; G411-R415 VanDerWaalsContact CA-O 3.27Å; G411-R415 WeakPolarHBondContact CA-O 3.41Å
412	R	69.4	Low	82.9	Confident	74 Å²	74	31.6 Å²	31.6	28%	0.279	20%	0.198	S	C	.	.			trans	-99	155.5	-177.4	-69.1	-178.1	178.9	-162.9	1.2	111.7	L387 G408 V410 G414 R415	L387-R412 HydrophobicContact CD2-CB 3.59Å; L387-R412 WeakPolarHBondContact CD2-O 3.24Å; L387-R412 HydrophobicContact CG-CB 4.4Å; G408-R412 PolarHBondContact O-NE 2.87Å; G408-R412 PolarHBondContact O-NH2 2.93Å; V410-R412 VanDerWaalsContact C-N 3.34Å; V410-R412 PolarHBondContact O-N 2.74Å; R412-G414 PolarHBondContact O-N 3.21Å; R412-G414 VanDerWaalsContact O-N 3.11Å; R412-R415 PolarHBondContact O-N 2.94Å; R412-R415 VanDerWaalsContact O-N 3.14Å
413	A	61.6	Low	83.5	Confident	101 Å²	101	30.3 Å²	30.3	84%	0.835	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	30	172.1	0	0	0	0	0	115.6	L387	L387-A413 HydrophobicContact CD2-CB 4.09Å
414	G	65.1	Low	83.7	Confident	68 Å²	68	30.2 Å²	30.2	70%	0.701	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	0.5	178.1	0	0	0	0	0	115.4	R412	R412-G414 PolarHBondContact O-N 3.21Å; R412-G414 VanDerWaalsContact O-N 3.11Å
415	R	76.3	Confident	84	Confident	100 Å²	100	32 Å²	32	38%	0.377	21%	0.205	S	C	.	.			trans	-82	142.6	164.9	-72.4	173.8	67.2	-171.2	0.6	109.8	D389 G411 R412	D389-R415 VanDerWaalsContact CG-NH2 3.25Å; D389-R415 IonicContact OD1-CZ 2.69Å; D389-R415 IonicContact OD1-NH2 2.66Å; D389-R415 PolarHBondContact OD1-NH2 2.81Å; D389-R415 IonicContact OD2-NH2 3.58Å; D389-R415 PolarHBondContact OD2-NH2 3.49Å; G411-R415 CarbonylContact C-O 3.59Å; G411-R415 VanDerWaalsContact CA-O 3.27Å; G411-R415 WeakPolarHBondContact CA-O 3.41Å; R412-R415 PolarHBondContact O-N 2.94Å; R412-R415 VanDerWaalsContact O-N 3.14Å
416	S	84.4	Confident	84.5	Confident	79 Å²	79	31.9 Å²	31.9	55%	0.552	21%	0.206	S	C	*	.			trans	-76	171.2	163.4	54.1	0	0	0	0	111.5	Q291	Q291-S416 WeakPolarHBondContact O-CA 3.32Å; Q291-S416 WeakPolarHBondContact O-CB 3.11Å
417	G	88.8	Confident	84.8	Confident	8 Å²	8	31.8 Å²	31.8	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	166.9	171.6	0	0	0	0	0	112.1	Q291 I292 K293 D389	Q291-G417 PolarHBondContact O-N 3.47Å; I292-G417 WeakPolarHBondContact CA-O 3.4Å; K293-G417 PolarHBondContact N-O 3.29Å; D389-G417 CarbonylContact O-C 3.54Å; D389-G417 WeakPolarHBondContact O-CA 3.45Å
418	T	91.3	Very high	85	Confident	27 Å²	27	31.9 Å²	31.9	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.7	-169.8	-48.9	0	0	0	0	112.1	K293 D389 N390 V391 Y420	K293-T418 HydrophobicContact CB-CG2 4.21Å; K293-T418 CarbonylContact O-C 3.59Å; K293-T418 WeakPolarHBondContact O-CA 3.4Å; D389-T418 PolarHBondContact O-N 3.43Å; N390-T418 CarbonylContact C-O 3.58Å; N390-T418 WeakPolarHBondContact CA-O 3.36Å; V391-T418 PolarHBondContact N-O 2.74Å; T418-Y420 HydrophobicContact CG2-CD1 3.99Å; T418-Y420 HydrophobicContact CG2-CE1 3.4Å; T418-Y420 HydrophobicContact CG2-CE2 4.04Å; T418-Y420 VanDerWaalsContact CG2-CZ 3.42Å
419	A	93.9	Very high	85.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	98.5	176.6	0	0	0	0	0	111.6	I292 K293 L294 S295 V391 V407	I292-A419 HydrophobicContact CG2-CB 4.47Å; K293-A419 PolarHBondContact O-N 3.12Å; L294-A419 HydrophobicContact CD2-CB 3.79Å; S295-A419 PolarHBondContact N-O 2.88Å; V391-A419 CarbonylContact O-C 3.54Å; V391-A419 WeakPolarHBondContact O-CA 3.04Å; V407-A419 HydrophobicContact CB-CB 4.29Å; V407-A419 HydrophobicContact CG1-CB 3.67Å; V407-A419 HydrophobicContact CG2-CB 3.67Å
420	Y	95.3	Very high	86.5	Confident	15 Å²	15	30.8 Å²	30.8	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.6	175.4	-53.7	-66	0	0	0	110.1	S295 F297 L311 V315 N390 V391 I392 N393 T418 L524	S295-Y420 CarbonylContact O-C 3.51Å; F297-Y420 AromaticContact CE2-CD1 3.86Å; F297-Y420 HydrophobicContact CE2-CD1 3.86Å; F297-Y420 HydrophobicContact CE2-CG 4.35Å; F297-Y420 HydrophobicContact CZ-CD1 4.18Å; L311-Y420 HydrophobicContact CD2-CD1 4.47Å; V315-Y420 HydrophobicContact CG1-CE1 4Å; N390-Y420 HydrophobicContact CB-CE2 4.12Å; N390-Y420 WeakPolarHBondContact OD1-CE2 3.34Å; V391-Y420 PolarHBondContact O-N 3.18Å; I392-Y420 CarbonylContact C-O 3.6Å; I392-Y420 WeakPolarHBondContact CA-O 3.46Å; I392-Y420 HydrophobicContact CG1-CD2 4.05Å; N393-Y420 PolarHBondContact N-O 3.38Å; T418-Y420 HydrophobicContact CG2-CD1 3.99Å; T418-Y420 HydrophobicContact CG2-CE1 3.4Å; T418-Y420 HydrophobicContact CG2-CE2 4.04Å; T418-Y420 VanDerWaalsContact CG2-CZ 3.42Å; Y420-L524 HydrophobicContact CE1-CD1 4.05Å
421	S	96.8	Very high	87.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	119	-176.1	-57.7	0	0	0	0	112.5	S295 F296 F297 N393	S295-S421 PolarHBondContact O-N 3.47Å; F296-S421 WeakPolarHBondContact CA-O 3.45Å; F297-S421 PolarHBondContact N-O 2.92Å; N393-S421 PolarHBondContact ND2-OG 3.39Å
422	M	96.6	Very high	88.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124	176.7	-57.7	-178.1	-179.4	0	0	109.5	L299 K304 L307 L308 L311 I392 N393 Y394	L299-M422 HydrophobicContact CD2-CB 4.06Å; K304-M422 HydrophobicContact CB-SD 4.24Å; K304-M422 HydrophobicContact CD-CB 4.33Å; K304-M422 HydrophobicContact CD-SD 4.47Å; K304-M422 HydrophobicContact CG-SD 4.37Å; L307-M422 HydrophobicContact CB-CE 4.29Å; L307-M422 HydrophobicContact CD2-CE 4.18Å; L307-M422 HydrophobicContact CD2-CG 3.94Å; L307-M422 HydrophobicContact CD2-SD 4.45Å; L307-M422 HydrophobicContact CG-CE 4.06Å; L308-M422 HydrophobicContact CB-CE 3.81Å; L308-M422 HydrophobicContact CD1-CE 4.01Å; L311-M422 HydrophobicContact CD1-CE 3.82Å; I392-M422 HydrophobicContact CG2-CE 3.87Å; N393-M422 WeakPolarHBondContact O-CB 3.43Å; N393-M422 PolarHBondContact O-N 3.45Å; Y394-M422 HydrophobicContact CD2-CE 4.33Å; Y394-M422 HydrophobicContact CD2-SD 3.66Å; Y394-M422 HydrophobicContact CE2-SD 4.27Å; Y394-M422 HydrophobicContact CG-SD 4.3Å
423	V	95.9	Very high	89.2	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	106.3	-172.1	-173	0	0	0	0	111.3	F296 F297 H298 F396 E427 M428 V431 F457	F296-V423 HydrophobicContact CB-CG2 4.48Å; F296-V423 HydrophobicContact CD1-CG2 4.33Å; F297-V423 PolarHBondContact O-N 3.01Å; H298-V423 PolarHBondContact ND1-O 2.91Å; H298-V423 VanDerWaalsContact ND1-O 3.11Å; F396-V423 HydrophobicContact CD2-CG2 3.81Å; F396-V423 HydrophobicContact CE2-CG2 4.22Å; F396-V423 HydrophobicContact CG-CG2 4.5Å; V423-E427 HydrophobicContact CG1-CB 3.89Å; V423-M428 HydrophobicContact CG1-CG 3.99Å; V423-V431 HydrophobicContact CB-CG2 4.35Å; V423-V431 HydrophobicContact CG1-CG2 3.58Å; V423-V431 HydrophobicContact CG2-CG2 3.78Å; V423-F457 HydrophobicContact CB-CE2 3.86Å; V423-F457 HydrophobicContact CB-CZ 3.84Å; V423-F457 HydrophobicContact CG1-CE2 4.23Å; V423-F457 HydrophobicContact CG1-CZ 3.67Å; V423-F457 HydrophobicContact CG2-CE2 4.21Å; V423-F457 HydrophobicContact CG2-CZ 4.37Å
424	C	93.8	Very high	90.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.			trans	-76.4	165.4	170.1	-73.4	0	0	0	0	113.2	L299 R300 V301 K304 D426 E427 M428	L299-C424 WeakPolarHBondContact O-CA 3.36Å; L299-C424 PolarHBondContact O-SG 3.15Å; L299-C424 VanDerWaalsContact O-SG 3.33Å; R300-C424 PolarHBondContact O-SG 2.84Å; R300-C424 VanDerWaalsContact O-SG 3.34Å; V301-C424 VanDerWaalsContact CA-SG 3.59Å; V301-C424 HydrophobicContact CG2-CB 4.19Å; V301-C424 PolarHBondContact N-SG 3.44Å; V301-C424 VanDerWaalsContact N-SG 3.4Å; K304-C424 WeakPolarHBondContact CE-SG 3.42Å; C424-D426 VanDerWaalsContact CB-OD1 3.26Å; C424-D426 WeakPolarHBondContact CB-OD1 3.4Å; C424-D426 PolarHBondContact O-N 3.18Å; C424-D426 VanDerWaalsContact O-N 3.17Å; C424-E427 HydrophobicContact CB-CG 4.47Å; C424-E427 PolarHBondContact N-OE2 3.16Å; C424-E427 WeakPolarHBondContact O-CA 3.24Å; C424-E427 WeakPolarHBondContact O-CB 3.26Å; C424-E427 PolarHBondContact O-N 3.45Å; C424-M428 PolarHBondContact O-N 2.97Å; C424-M428 VanDerWaalsContact O-N 3.11Å
425	P	91.1	Very high	91.8	Very high	78 Å²	78	22.5 Å²	22.5	51%	0.506	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.3	178	-27	34.3	0	0	0	114.7	E427	P425-E427 VanDerWaalsContact C-N 3.35Å
426	D	91	Very high	92.3	Very high	58 Å²	58	22.6 Å²	22.6	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.3	175.1	76.2	-68.2	0	0	0	113.4	C424 P429 Y430 R500	C424-D426 VanDerWaalsContact CB-OD1 3.26Å; C424-D426 WeakPolarHBondContact CB-OD1 3.4Å; C424-D426 PolarHBondContact O-N 3.18Å; C424-D426 VanDerWaalsContact O-N 3.17Å; D426-P429 WeakPolarHBondContact O-CD 3.29Å; D426-Y430 WeakPolarHBondContact O-CE2 3.35Å; D426-R500 IonicContact OD2-CZ 3.57Å; D426-R500 VanDerWaalsContact OD2-CZ 3.32Å; D426-R500 IonicContact OD2-NH1 3.23Å; D426-R500 PolarHBondContact OD2-NH1 2.78Å; D426-R500 IonicContact OD2-NH2 3.38Å; D426-R500 PolarHBondContact OD2-NH2 2.89Å
427	E	93.9	Very high	92.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-20.2	179.9	-69.9	172.8	140.3	0	0	112.2	K304 F396 V423 C424 P425 P429 Y430	K304-E427 VanDerWaalsContact NZ-CD 3.35Å; K304-E427 IonicContact NZ-OE1 2.73Å; K304-E427 PolarHBondContact NZ-OE1 3.36Å; K304-E427 IonicContact NZ-OE2 3.59Å; K304-E427 PolarHBondContact NZ-OE2 2.83Å; F396-E427 HydrophobicContact CB-CB 3.85Å; F396-E427 HydrophobicContact CB-CG 3.91Å; F396-E427 PolarHBondContact N-OE1 3.4Å; V423-E427 HydrophobicContact CG1-CB 3.89Å; C424-E427 HydrophobicContact CB-CG 4.47Å; C424-E427 PolarHBondContact N-OE2 3.16Å; C424-E427 WeakPolarHBondContact O-CA 3.24Å; C424-E427 WeakPolarHBondContact O-CB 3.26Å; C424-E427 PolarHBondContact O-N 3.45Å; P425-E427 VanDerWaalsContact C-N 3.35Å; E427-P429 VanDerWaalsContact C-CD 3.42Å; E427-Y430 WeakPolarHBondContact O-CD2 3.22Å; E427-Y430 PolarHBondContact O-N 2.88Å; E427-Y430 VanDerWaalsContact O-N 3.09Å
428	M	92.8	Very high	92.1	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-52.1	-39.3	179.4	-68.6	-173.6	78.7	0	0	115.3	V423 C424 Y430 V431 Y432 F457 V511 V516	V423-M428 HydrophobicContact CG1-CG 3.99Å; C424-M428 PolarHBondContact O-N 2.97Å; C424-M428 VanDerWaalsContact O-N 3.11Å; M428-Y430 VanDerWaalsContact C-N 3.25Å; M428-Y430 PolarHBondContact O-N 2.62Å; M428-V431 WeakPolarHBondContact O-CB 3.4Å; M428-V431 PolarHBondContact O-N 2.92Å; M428-V431 VanDerWaalsContact O-N 3.09Å; M428-Y432 PolarHBondContact O-N 3.09Å; M428-F457 HydrophobicContact CE-CE1 3.67Å; M428-F457 HydrophobicContact CE-CZ 4.03Å; M428-F457 HydrophobicContact CG-CE1 4.26Å; M428-F457 HydrophobicContact CG-CZ 4.03Å; M428-V511 HydrophobicContact CB-CG1 4.1Å; M428-V511 HydrophobicContact CB-CG2 3.85Å; M428-V516 HydrophobicContact CE-CG1 4.24Å; M428-V516 HydrophobicContact CE-CG2 3.92Å; M428-V516 HydrophobicContact SD-CG1 4.28Å; M428-V516 HydrophobicContact SD-CG2 4.03Å
429	P	93.8	Very high	91.6	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-31	179.3	-23.5	34.4	0	0	0	113.2	D426 E427 V431 Y432 D433 P503 S507 I508 V511	D426-P429 WeakPolarHBondContact O-CD 3.29Å; E427-P429 VanDerWaalsContact C-CD 3.42Å; P429-V431 VanDerWaalsContact C-N 3.32Å; P429-Y432 PolarHBondContact O-N 2.94Å; P429-D433 PolarHBondContact O-N 3.07Å; P429-P503 HydrophobicContact CB-CB 3.73Å; P429-P503 HydrophobicContact CB-CG 3.59Å; P429-P503 HydrophobicContact CG-CG 4.28Å; P429-S507 WeakPolarHBondContact O-CB 3.36Å; P429-I508 HydrophobicContact CB-CG1 4.2Å; P429-I508 HydrophobicContact CG-CG1 4.4Å; P429-V511 HydrophobicContact CB-CG2 4.3Å; P429-V511 HydrophobicContact CG-CB 4.44Å; P429-V511 HydrophobicContact CG-CG2 3.96Å
430	Y	94.8	Very high	91.1	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.039	16%	0.161	C	C	.	.	H	α-helix	trans	-73.9	-24.5	177	-53.5	-90.4	0	0	0	112	D426 E427 M428 D433 L434 R500 P501 P503	D426-Y430 WeakPolarHBondContact O-CE2 3.35Å; E427-Y430 WeakPolarHBondContact O-CD2 3.22Å; E427-Y430 PolarHBondContact O-N 2.88Å; E427-Y430 VanDerWaalsContact O-N 3.09Å; M428-Y430 VanDerWaalsContact C-N 3.25Å; M428-Y430 PolarHBondContact O-N 2.62Å; Y430-D433 PolarHBondContact O-N 2.93Å; Y430-L434 WeakPolarHBondContact O-CB 3.33Å; Y430-L434 PolarHBondContact O-N 2.67Å; Y430-R500 PolarHBondContact OH-NE 2.88Å; Y430-R500 VanDerWaalsContact OH-NE 3.07Å; Y430-P501 WeakPolarHBondContact CE1-O 3.29Å; Y430-P501 PolarHBondContact OH-O 3.2Å; Y430-P503 HydrophobicContact CD1-CB 3.81Å; Y430-P503 HydrophobicContact CD2-CB 4.41Å; Y430-P503 HydrophobicContact CE1-CB 3.75Å; Y430-P503 HydrophobicContact CE1-CG 4.08Å; Y430-P503 HydrophobicContact CE2-CB 4.35Å; Y430-P503 HydrophobicContact CE2-CG 4.08Å; Y430-P503 HydrophobicContact CG-CB 4.17Å; Y430-P503 WeakPolarHBondContact OH-CD 3.46Å
431	V	93.6	Very high	90.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-40.4	170.4	-178.3	0	0	0	0	110.5	F296 F396 V423 M428 P429 L434 H435 F457	F296-V431 HydrophobicContact CD1-CG1 4.36Å; F296-V431 HydrophobicContact CE1-CG1 4.4Å; F396-V431 HydrophobicContact CD1-CG2 4.4Å; F396-V431 HydrophobicContact CD2-CG2 4.35Å; F396-V431 HydrophobicContact CE1-CG2 4Å; F396-V431 HydrophobicContact CE2-CG2 3.94Å; F396-V431 HydrophobicContact CZ-CB 4.49Å; F396-V431 HydrophobicContact CZ-CG2 3.75Å; V423-V431 HydrophobicContact CB-CG2 4.35Å; V423-V431 HydrophobicContact CG1-CG2 3.58Å; V423-V431 HydrophobicContact CG2-CG2 3.78Å; M428-V431 WeakPolarHBondContact O-CB 3.4Å; M428-V431 PolarHBondContact O-N 2.92Å; M428-V431 VanDerWaalsContact O-N 3.09Å; P429-V431 VanDerWaalsContact C-N 3.32Å; V431-L434 PolarHBondContact O-N 2.77Å; V431-H435 WeakPolarHBondContact O-CB 3.49Å; V431-H435 PolarHBondContact O-N 3.25Å; V431-H435 PolarHBondContact O-ND1 2.78Å; V431-F457 HydrophobicContact CG1-CD1 4.37Å; V431-F457 HydrophobicContact CG1-CE1 4.4Å
432	Y	92.2	Very high	90.1	Very high	33 Å²	33	32.2 Å²	32.2	13%	0.129	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-42.7	171.9	-84.7	-79.6	0	0	0	112.3	M428 P429 L434 H435 L436 V442 S507 R510 V511 T514	M428-Y432 PolarHBondContact O-N 3.09Å; P429-Y432 PolarHBondContact O-N 2.94Å; Y432-L434 VanDerWaalsContact C-N 3.29Å; Y432-L434 PolarHBondContact O-N 2.61Å; Y432-H435 PolarHBondContact O-N 2.75Å; Y432-L436 WeakPolarHBondContact O-CB 3.17Å; Y432-L436 PolarHBondContact O-N 3.5Å; Y432-V442 HydrophobicContact CD1-CG2 3.58Å; Y432-V442 HydrophobicContact CE1-CB 4.19Å; Y432-V442 HydrophobicContact CE1-CG2 3.64Å; Y432-V442 HydrophobicContact CG-CG2 4.06Å; Y432-S507 VanDerWaalsContact CB-OG 3.26Å; Y432-S507 WeakPolarHBondContact CB-OG 3.33Å; Y432-R510 HydrophobicContact CD1-CB 4.03Å; Y432-R510 HydrophobicContact CD1-CG 4.47Å; Y432-R510 HydrophobicContact CD2-CB 4.43Å; Y432-R510 HydrophobicContact CE1-CB 3.95Å; Y432-R510 HydrophobicContact CE2-CB 4.33Å; Y432-R510 HydrophobicContact CG-CB 4.27Å; Y432-V511 HydrophobicContact CD2-CG2 3.5Å; Y432-V511 VanDerWaalsContact CD2-CG2 3.5Å; Y432-V511 HydrophobicContact CE2-CG2 3.69Å; Y432-T514 PolarHBondContact OH-OG1 3.31Å
433	D	91.1	Very high	89.6	Confident	35 Å²	35	35.4 Å²	35.4	19%	0.187	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-35.2	174	-72.8	-15.8	0	0	0	112.5	P429 Y430 F437 P503 S504 S507	P429-D433 PolarHBondContact O-N 3.07Å; Y430-D433 PolarHBondContact O-N 2.93Å; D433-F437 VanDerWaalsContact O-CB 3.3Å; D433-F437 WeakPolarHBondContact O-CB 3.45Å; D433-F437 PolarHBondContact O-N 2.99Å; D433-F437 VanDerWaalsContact O-N 3.08Å; D433-P503 VanDerWaalsContact OD2-CA 3.29Å; D433-P503 WeakPolarHBondContact OD2-CA 3.36Å; D433-P503 VanDerWaalsContact OD2-CB 3.29Å; D433-P503 WeakPolarHBondContact OD2-CB 3.45Å; D433-S504 VanDerWaalsContact OD1-CB 3.24Å; D433-S504 WeakPolarHBondContact OD1-CB 3.45Å; D433-S504 PolarHBondContact OD1-OG 3.16Å; D433-S504 PolarHBondContact OD2-N 3.2Å; D433-S507 PolarHBondContact N-OG 3.28Å; D433-S507 VanDerWaalsContact OD1-CB 3.22Å; D433-S507 WeakPolarHBondContact OD1-CB 3.31Å; D433-S507 PolarHBondContact OD1-OG 3.35Å
434	L	91.2	Very high	89.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-48.7	172.6	172	64.9	0	0	0	111.6	F296 F396 A400 F403 Y430 V431 Y432 F437 L438	F296-L434 HydrophobicContact CE1-CD2 4Å; F296-L434 HydrophobicContact CZ-CD2 3.98Å; F396-L434 HydrophobicContact CZ-CD2 3.86Å; A400-L434 HydrophobicContact CB-CB 4.41Å; A400-L434 HydrophobicContact CB-CD1 3.92Å; F403-L434 HydrophobicContact CB-CD1 4.07Å; F403-L434 HydrophobicContact CB-CD2 4.47Å; F403-L434 HydrophobicContact CD1-CD1 3.64Å; F403-L434 HydrophobicContact CD1-CD2 3.64Å; F403-L434 HydrophobicContact CD1-CG 4.31Å; F403-L434 HydrophobicContact CD2-CD2 3.79Å; F403-L434 HydrophobicContact CE1-CD1 4.26Å; F403-L434 HydrophobicContact CE1-CD2 3.65Å; F403-L434 HydrophobicContact CE2-CD2 3.79Å; F403-L434 HydrophobicContact CG-CD1 3.95Å; F403-L434 HydrophobicContact CG-CD2 3.71Å; F403-L434 HydrophobicContact CG-CG 4.5Å; F403-L434 HydrophobicContact CZ-CD2 3.71Å; Y430-L434 WeakPolarHBondContact O-CB 3.33Å; Y430-L434 PolarHBondContact O-N 2.67Å; V431-L434 PolarHBondContact O-N 2.77Å; Y432-L434 VanDerWaalsContact C-N 3.29Å; Y432-L434 PolarHBondContact O-N 2.61Å; L434-F437 PolarHBondContact O-N 2.86Å; L434-L438 HydrophobicContact CD1-CD1 3.88Å; L434-L438 HydrophobicContact CD1-CG 4Å; L434-L438 HydrophobicContact CG-CD1 3.95Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CB 3.46Å; L434-L438 WeakPolarHBondContact O-CG 3.4Å; L434-L438 PolarHBondContact O-N 3.1Å
435	H	88.9	Confident	88.7	Confident	11 Å²	11	38.3 Å²	38.3	5%	0.051	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-41.8	-178.1	-82.8	85.8	0	0	0	112	F296 V431 Y432 F437 L438 G439 R440 P441 V442	F296-H435 AromaticContact CE2-CE1 3.7Å; F296-H435 AromaticContact CZ-CE1 3.74Å; V431-H435 WeakPolarHBondContact O-CB 3.49Å; V431-H435 PolarHBondContact O-N 3.25Å; V431-H435 PolarHBondContact O-ND1 2.78Å; Y432-H435 PolarHBondContact O-N 2.75Å; H435-F437 PolarHBondContact O-N 3.24Å; H435-L438 PolarHBondContact O-N 2.75Å; H435-G439 PolarHBondContact O-N 3.32Å; H435-R440 CarbonylContact C-O 3.38Å; H435-R440 WeakPolarHBondContact CA-O 3.45Å; H435-R440 WeakPolarHBondContact CB-O 3.23Å; H435-R440 PolarHBondContact CD2-O 3.15Å; H435-R440 PolarHBondContact O-N 2.9Å; H435-R440 VanDerWaalsContact O-N 3.14Å; H435-P441 PolarHBondContact CD2-O 3.01Å; H435-V442 HydrophobicContact CB-CG2 3.69Å
436	L	87.1	Confident	88	Confident	103 Å²	103	37.9 Å²	37.9	54%	0.539	21%	0.209	S	C	.	.	H	α-helix	trans	-58.9	-43.7	170.9	-176.2	63.5	0	0	0	112	Y432 L438 G439	Y432-L436 WeakPolarHBondContact O-CB 3.17Å; Y432-L436 PolarHBondContact O-N 3.5Å; L436-L438 PolarHBondContact O-N 3.21Å; L436-G439 PolarHBondContact O-N 3.32Å
437	F	84.6	Confident	86.8	Confident	68 Å²	68	38.9 Å²	38.9	30%	0.298	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-31.2	176.6	176.4	-94.2	0	0	0	113.8	T286 A400 K401 D433 L434 H435 G439	T286-F437 HydrophobicContact CG2-CE1 4.25Å; T286-F437 HydrophobicContact CG2-CE2 4.39Å; T286-F437 HydrophobicContact CG2-CZ 3.94Å; A400-F437 HydrophobicContact CB-CB 3.54Å; A400-F437 HydrophobicContact CB-CD1 3.51Å; A400-F437 HydrophobicContact CB-CD2 4.28Å; A400-F437 HydrophobicContact CB-CE1 4.3Å; A400-F437 HydrophobicContact CB-CG 3.5Å; A400-F437 VanDerWaalsContact CB-CG 3.5Å; K401-F437 HydrophobicContact CG-CE2 4.22Å; K401-F437 HydrophobicContact CG-CZ 3.96Å; D433-F437 VanDerWaalsContact O-CB 3.3Å; D433-F437 WeakPolarHBondContact O-CB 3.45Å; D433-F437 PolarHBondContact O-N 2.99Å; D433-F437 VanDerWaalsContact O-N 3.08Å; L434-F437 PolarHBondContact O-N 2.86Å; H435-F437 PolarHBondContact O-N 3.24Å; F437-G439 VanDerWaalsContact C-N 3.34Å
438	L	83.9	Confident	85.4	Confident	17 Å²	17	46 Å²	46	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-79.7	-13.9	175.3	-72.3	176.8	0	0	0	113.3	T286 L404 L434 H435 L436 R440	T286-L438 WeakPolarHBondContact O-CD2 3.45Å; L404-L438 HydrophobicContact CD1-CD2 4.27Å; L434-L438 HydrophobicContact CD1-CD1 3.88Å; L434-L438 HydrophobicContact CD1-CG 4Å; L434-L438 HydrophobicContact CG-CD1 3.95Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CB 3.46Å; L434-L438 WeakPolarHBondContact O-CG 3.4Å; L434-L438 PolarHBondContact O-N 3.1Å; H435-L438 PolarHBondContact O-N 2.75Å; L436-L438 PolarHBondContact O-N 3.21Å; L438-R440 HydrophobicContact CB-CB 4.47Å; L438-R440 HydrophobicContact CB-CG 4.49Å; L438-R440 PolarHBondContact O-N 3.01Å
439	G	82.3	Confident	83.9	Confident	71 Å²	71	49.6 Å²	49.6	73%	0.732	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	23.7	-171.8	0	0	0	0	0	113.7	H435 L436 F437	H435-G439 PolarHBondContact O-N 3.32Å; L436-G439 PolarHBondContact O-N 3.32Å; F437-G439 VanDerWaalsContact C-N 3.34Å
440	R	83.6	Confident	82.2	Confident	87 Å²	87	54 Å²	54	33%	0.328	30%	0.304	S	S	.	.			trans	-120.1	133.7	179.6	-64.8	-175.1	179.3	-171.4	-0.2	109	D290 H435 L438 D454	D290-R440 IonicContact OD1-NH2 3.93Å; D290-R440 PolarHBondContact OD1-NH2 3.22Å; H435-R440 CarbonylContact C-O 3.38Å; H435-R440 WeakPolarHBondContact CA-O 3.45Å; H435-R440 WeakPolarHBondContact CB-O 3.23Å; H435-R440 PolarHBondContact CD2-O 3.15Å; H435-R440 PolarHBondContact O-N 2.9Å; H435-R440 VanDerWaalsContact O-N 3.14Å; L438-R440 HydrophobicContact CB-CB 4.47Å; L438-R440 HydrophobicContact CB-CG 4.49Å; L438-R440 PolarHBondContact O-N 3.01Å; R440-D454 IonicContact NH1-OD2 2.75Å; R440-D454 PolarHBondContact NH1-OD2 3.06Å
441	P	83.6	Confident	80.5	Confident	75 Å²	75	58.8 Å²	58.8	49%	0.487	33%	0.327	S	S	.	.			trans	-68.5	152.1	176.6	29.4	-35.1	0	0	0	111.7	H435 Q443 L596	H435-P441 PolarHBondContact CD2-O 3.01Å; P441-Q443 PolarHBondContact O-N 3.41Å; P441-L596 HydrophobicContact CB-CD2 3.91Å; P441-L596 HydrophobicContact CG-CD2 3.82Å
442	V	86.4	Confident	78.9	Confident	13 Å²	13	64.4 Å²	64.4	8%	0.079	36%	0.356	C	S	.	.			trans	-65.8	124.8	173	-179.1	0	0	0	0	109.1	Y432 H435 F444 F457	Y432-V442 HydrophobicContact CD1-CG2 3.58Å; Y432-V442 HydrophobicContact CE1-CB 4.19Å; Y432-V442 HydrophobicContact CE1-CG2 3.64Å; Y432-V442 HydrophobicContact CG-CG2 4.06Å; H435-V442 HydrophobicContact CB-CG2 3.69Å; V442-F444 HydrophobicContact CB-CE2 4.43Å; V442-F444 HydrophobicContact CG1-CD2 4.48Å; V442-F444 HydrophobicContact CG1-CE1 4.06Å; V442-F444 HydrophobicContact CG1-CE2 3.94Å; V442-F444 HydrophobicContact CG1-CZ 3.7Å; V442-F457 HydrophobicContact CG1-CD1 4.15Å
443	Q	86.8	Confident	77.6	Confident	66 Å²	66	64.3 Å²	64.3	31%	0.308	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.6	179.5	-60.1	-160.6	39.6	0	0	111.3	P441 R449 V456 F457	P441-Q443 PolarHBondContact O-N 3.41Å; Q443-R449 VanDerWaalsContact OE1-NH2 3.08Å; Q443-V456 HydrophobicContact CB-CG2 4.42Å; Q443-V456 CarbonylContact O-C 3.52Å; Q443-V456 WeakPolarHBondContact O-CA 3.22Å; Q443-F457 PolarHBondContact O-N 3.21Å
444	F	86.6	Confident	76.9	Confident	59 Å²	59	65.2 Å²	65.2	26%	0.259	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.4	177.6	-65.8	-74.2	0	0	0	112.5	V442 T446 F457 T514 M519	V442-F444 HydrophobicContact CB-CE2 4.43Å; V442-F444 HydrophobicContact CG1-CD2 4.48Å; V442-F444 HydrophobicContact CG1-CE1 4.06Å; V442-F444 HydrophobicContact CG1-CE2 3.94Å; V442-F444 HydrophobicContact CG1-CZ 3.7Å; F444-T446 PolarHBondContact O-N 2.64Å; F444-T446 PolarHBondContact O-OG1 2.83Å; F444-F457 CarbonylContact C-O 3.58Å; F444-F457 WeakPolarHBondContact CA-O 3.47Å; F444-F457 HydrophobicContact CD1-CB 4.42Å; F444-F457 HydrophobicContact CD1-CD1 4.28Å; F444-F457 AromaticContact CE1-CD1 3.77Å; F444-F457 HydrophobicContact CE1-CD1 3.77Å; F444-F457 HydrophobicContact CE1-CE1 4.35Å; F444-F457 HydrophobicContact CE1-CG 4.49Å; F444-T514 HydrophobicContact CE1-CG2 4.14Å; F444-T514 HydrophobicContact CE2-CG2 4.22Å; F444-T514 HydrophobicContact CZ-CG2 3.65Å; F444-M519 HydrophobicContact CD1-CG 4.38Å; F444-M519 HydrophobicContact CD1-SD 3.78Å; F444-M519 HydrophobicContact CE1-SD 4.27Å
445	A	83.1	Confident	76.4	Confident	3 Å²	3	65.5 Å²	65.5	3%	0.025	37%	0.369	C	S	.	.			trans	-59.6	135.2	172.2	0	0	0	0	0	110.5	V456 F457 A520	A445-V456 HydrophobicContact CB-CG1 3.81Å; A445-F457 PolarHBondContact N-O 3.23Å; A445-A520 HydrophobicContact CB-CB 4.25Å; A445-A520 PolarHBondContact O-N 3.04Å
446	T	76.9	Confident	76.3	Confident	68 Å²	68	65 Å²	65	42%	0.417	37%	0.367	S	S	.	.			trans	-139.1	147.3	-177.8	16.7	0	0	0	0	107	F444 D448 R449	F444-T446 PolarHBondContact O-N 2.64Å; F444-T446 PolarHBondContact O-OG1 2.83Å; T446-D448 PolarHBondContact O-N 2.73Å; T446-D448 VanDerWaalsContact O-N 3.07Å; T446-R449 PolarHBondContact O-N 3.16Å; T446-R449 VanDerWaalsContact O-N 3.14Å; T446-R449 VanDerWaalsContact OG1-CD 3.26Å; T446-R449 WeakPolarHBondContact OG1-CD 3.46Å; T446-R449 PolarHBondContact OG1-NE 2.99Å
447	A	66.8	Low	76.5	Confident	79 Å²	79	60.1 Å²	60.1	65%	0.653	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.1	-167.6	0	0	0	0	0	113.8	R449	A447-R449 VanDerWaalsContact C-N 3.34Å; A447-R449 PolarHBondContact O-N 2.66Å
448	D	62.8	Low	76.7	Confident	151 Å²	151	56.9 Å²	56.9	81%	0.807	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.2	-174.6	-36.4	-70.8	0	0	0	114	T446	T446-D448 PolarHBondContact O-N 2.73Å; T446-D448 VanDerWaalsContact O-N 3.07Å
449	R	61.2	Low	77	Confident	78 Å²	78	58.4 Å²	58.4	29%	0.294	33%	0.331	S	S	.	.			trans	-87.5	124.6	-174.8	-72.1	-174.8	172.7	-123.1	-3.2	113	Q443 T446 A447 V456 P523	Q443-R449 VanDerWaalsContact OE1-NH2 3.08Å; T446-R449 PolarHBondContact O-N 3.16Å; T446-R449 VanDerWaalsContact O-N 3.14Å; T446-R449 VanDerWaalsContact OG1-CD 3.26Å; T446-R449 WeakPolarHBondContact OG1-CD 3.46Å; T446-R449 PolarHBondContact OG1-NE 2.99Å; A447-R449 VanDerWaalsContact C-N 3.34Å; A447-R449 PolarHBondContact O-N 2.66Å; R449-V456 VanDerWaalsContact NH1-CG2 3.27Å; R449-P523 HydrophobicContact CB-CG 4.19Å
450	T	59.3	Low	77.4	Confident	107 Å²	107	55.3 Å²	55.3	66%	0.656	30%	0.298	S	S	*	.			trans	-75.3	164.5	175	56.1	0	0	0	0	112.9	D452 S453	T450-D452 PolarHBondContact O-N 2.86Å; T450-D452 VanDerWaalsContact O-N 3.1Å; T450-S453 PolarHBondContact O-N 3.48Å; T450-S453 PolarHBondContact O-OG 3.09Å
451	Q	58.6	Low	77.6	Confident	110 Å²	110	51.2 Å²	51.2	51%	0.514	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	-175.1	-68.3	175.3	-41.6	0	0	115.3	S453 L524 S527	Q451-S453 VanDerWaalsContact C-N 3.34Å; Q451-S453 PolarHBondContact O-N 3.31Å; Q451-L524 HydrophobicContact CB-CD2 4.48Å; Q451-S527 PolarHBondContact NE2-OG 3.31Å
452	D	59	Low	77.6	Confident	117 Å²	117	51.4 Å²	51.4	63%	0.626	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.3	-174.5	-85	-55.4	0	0	0	115	K293 T450 D454	K293-D452 IonicContact NZ-OD1 2.67Å; K293-D452 PolarHBondContact NZ-OD1 3.33Å; T450-D452 PolarHBondContact O-N 2.86Å; T450-D452 VanDerWaalsContact O-N 3.1Å; D452-D454 PolarHBondContact O-N 3.3Å
453	S	66	Low	77.6	Confident	32 Å²	32	51.7 Å²	51.7	22%	0.224	28%	0.28	C	S	.	.			trans	-70	101.9	179	62.6	0	0	0	0	112.7	T450 Q451 V456	T450-S453 PolarHBondContact O-N 3.48Å; T450-S453 PolarHBondContact O-OG 3.09Å; Q451-S453 VanDerWaalsContact C-N 3.34Å; Q451-S453 PolarHBondContact O-N 3.31Å; S453-V456 VanDerWaalsContact OG-CG2 3.22Å; S453-V456 WeakPolarHBondContact OG-CG2 3.38Å
454	D	75.9	Confident	77.7	Confident	54 Å²	54	49.2 Å²	49.2	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	144.8	174.4	-179.8	44.6	0	0	0	112.9	L294 R440 D452 V456	L294-D454 PolarHBondContact N-OD1 3.09Å; R440-D454 IonicContact NH1-OD2 2.75Å; R440-D454 PolarHBondContact NH1-OD2 3.06Å; D452-D454 PolarHBondContact O-N 3.3Å; D454-V456 VanDerWaalsContact C-N 3.28Å; D454-V456 PolarHBondContact O-N 2.84Å
455	G	80.7	Confident	77.9	Confident	7 Å²	7	47 Å²	47	7%	0.072	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	11.5	170.7	0	0	0	0	0	115.8	L294	L294-G455 PolarHBondContact O-N 2.87Å; L294-G455 VanDerWaalsContact O-N 3.09Å
456	V	87.9	Confident	78.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.5	-178.4	167.4	0	0	0	0	112.7	F296 Q443 A445 R449 S453 D454 H522 P523	F296-V456 PolarHBondContact N-O 3.43Å; Q443-V456 HydrophobicContact CB-CG2 4.42Å; Q443-V456 CarbonylContact O-C 3.52Å; Q443-V456 WeakPolarHBondContact O-CA 3.22Å; A445-V456 HydrophobicContact CB-CG1 3.81Å; R449-V456 VanDerWaalsContact NH1-CG2 3.27Å; S453-V456 VanDerWaalsContact OG-CG2 3.22Å; S453-V456 WeakPolarHBondContact OG-CG2 3.38Å; D454-V456 VanDerWaalsContact C-N 3.28Å; D454-V456 PolarHBondContact O-N 2.84Å; V456-H522 PolarHBondContact O-NE2 2.95Å; V456-P523 HydrophobicContact CG1-CG 4.45Å
457	F	90.4	Very high	78.7	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.4	174.7	-168.9	-169.2	0	0	0	110	F296 H298 V423 M428 V431 V442 Q443 F444 A445 M519	F296-F457 HydrophobicContact CB-CB 3.97Å; F296-F457 HydrophobicContact CB-CD2 3.51Å; F296-F457 HydrophobicContact CB-CE2 4.18Å; F296-F457 HydrophobicContact CB-CG 3.88Å; F296-F457 WeakPolarHBondContact O-CA 3.36Å; F296-F457 WeakPolarHBondContact O-CD2 3.48Å; H298-F457 HydrophobicContact CB-CD2 4.44Å; H298-F457 HydrophobicContact CB-CE2 3.7Å; H298-F457 HydrophobicContact CB-CZ 4.27Å; V423-F457 HydrophobicContact CB-CE2 3.86Å; V423-F457 HydrophobicContact CB-CZ 3.84Å; V423-F457 HydrophobicContact CG1-CE2 4.23Å; V423-F457 HydrophobicContact CG1-CZ 3.67Å; V423-F457 HydrophobicContact CG2-CE2 4.21Å; V423-F457 HydrophobicContact CG2-CZ 4.37Å; M428-F457 HydrophobicContact CE-CE1 3.67Å; M428-F457 HydrophobicContact CE-CZ 4.03Å; M428-F457 HydrophobicContact CG-CE1 4.26Å; M428-F457 HydrophobicContact CG-CZ 4.03Å; V431-F457 HydrophobicContact CG1-CD1 4.37Å; V431-F457 HydrophobicContact CG1-CE1 4.4Å; V442-F457 HydrophobicContact CG1-CD1 4.15Å; Q443-F457 PolarHBondContact O-N 3.21Å; F444-F457 CarbonylContact C-O 3.58Å; F444-F457 WeakPolarHBondContact CA-O 3.47Å; F444-F457 HydrophobicContact CD1-CB 4.42Å; F444-F457 HydrophobicContact CD1-CD1 4.28Å; F444-F457 AromaticContact CE1-CD1 3.77Å; F444-F457 HydrophobicContact CE1-CD1 3.77Å; F444-F457 HydrophobicContact CE1-CE1 4.35Å; F444-F457 HydrophobicContact CE1-CG 4.49Å; A445-F457 PolarHBondContact N-O 3.23Å; F457-M519 HydrophobicContact CD2-SD 4.36Å; F457-M519 HydrophobicContact CG-SD 4.35Å
458	G	89.9	Confident	79.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	164.9	-175.1	0	0	0	0	0	113.3	F296 F297 H298	F296-G458 PolarHBondContact O-N 3.29Å; F297-G458 CarbonylContact C-O 3.58Å; F297-G458 WeakPolarHBondContact CA-O 3.25Å; H298-G458 PolarHBondContact N-O 3.04Å
459	R	89.3	Confident	81	Confident	49 Å²	49	43.8 Å²	43.8	19%	0.185	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	149.9	176.3	-160.1	-173.4	-66.5	153.4	3.1	111.2	V516 S517 A520 V521 H522 D541	R459-V516 PolarHBondContact NH2-O 3.33Å; R459-S517 VanDerWaalsContact NH2-C 3.33Å; R459-S517 PolarHBondContact NH2-O 3.07Å; R459-A520 PolarHBondContact N-O 3.21Å; R459-V521 WeakPolarHBondContact O-CA 3.33Å; R459-H522 PolarHBondContact O-N 2.82Å; R459-D541 IonicContact CZ-OD2 2.68Å; R459-D541 VanDerWaalsContact NH1-CG 3.28Å; R459-D541 IonicContact NH1-OD1 2.73Å; R459-D541 PolarHBondContact NH1-OD1 3.4Å; R459-D541 VanDerWaalsContact NH1-OD1 3.07Å; R459-D541 IonicContact NH1-OD2 2.89Å; R459-D541 PolarHBondContact NH1-OD2 2.87Å; R459-D541 IonicContact NH2-OD2 2.64Å
460	V	90	Very high	82.3	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-81.1	136.9	167.3	-171.3	0	0	0	0	109.7	F297 H298 L299 L307 I464 L465 L525	F297-V460 HydrophobicContact CB-CG2 3.94Å; H298-V460 PolarHBondContact O-N 2.96Å; L299-V460 HydrophobicContact CB-CG2 4.08Å; L307-V460 HydrophobicContact CD1-CG1 4.04Å; L307-V460 HydrophobicContact CD1-CG2 4.18Å; L307-V460 HydrophobicContact CD2-CG2 3.94Å; V460-I464 HydrophobicContact CG1-CG2 4.36Å; V460-L465 HydrophobicContact CB-CD1 4Å; V460-L465 HydrophobicContact CG1-CD1 3.74Å; V460-L465 HydrophobicContact CG1-CD2 3.95Å; V460-L465 HydrophobicContact CG1-CG 3.71Å; V460-L525 HydrophobicContact CB-CD1 4.39Å; V460-L525 HydrophobicContact CG1-CD1 3.99Å; V460-L525 HydrophobicContact CG2-CD1 4.33Å
461	P	87.6	Confident	83.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.013	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-58.8	146.8	168.7	-24.1	36.3	0	0	0	111.9	I464 V521 L525 L529 L537	P461-I464 HydrophobicContact CB-CB 4.39Å; P461-I464 HydrophobicContact CB-CD1 4.2Å; P461-I464 HydrophobicContact CB-CG1 4.33Å; P461-I464 HydrophobicContact CG-CD1 3.89Å; P461-V521 HydrophobicContact CG-CG1 3.72Å; P461-V521 HydrophobicContact CG-CG2 4.36Å; P461-L525 HydrophobicContact CG-CB 4.24Å; P461-L529 HydrophobicContact CB-CD1 4.09Å; P461-L529 HydrophobicContact CB-CD2 4.44Å; P461-L529 HydrophobicContact CG-CD1 3.79Å; P461-L529 HydrophobicContact CG-CD2 4.41Å; P461-L537 HydrophobicContact CB-CD1 4.48Å
462	Q	85.2	Confident	85.1	Confident	79 Å²	79	39 Å²	39	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-75.5	-38.3	178.6	-66.1	-81.8	-119.2	0	0	112.2	I464 L465 D466	Q462-I464 PolarHBondContact O-N 2.86Å; Q462-L465 CarbonylContact O-C 3.58Å; Q462-L465 WeakPolarHBondContact O-CA 3.39Å; Q462-L465 WeakPolarHBondContact O-CB 3.11Å; Q462-L465 PolarHBondContact O-N 2.71Å; Q462-D466 VanDerWaalsContact C-OD2 3.32Å; Q462-D466 PolarHBondContact O-N 2.96Å; Q462-D466 VanDerWaalsContact O-OD2 3.11Å
463	S	85.6	Confident	86.7	Confident	19 Å²	19	38.2 Å²	38.2	13%	0.133	21%	0.208	C	C	.	.	H	α-helix	trans	-48.7	-54.7	174.6	31.5	0	0	0	0	112.6	L465 D466 D467 E533	S463-L465 PolarHBondContact O-N 2.76Å; S463-D466 PolarHBondContact O-N 2.84Å; S463-D467 WeakPolarHBondContact O-CB 3.29Å; S463-D467 PolarHBondContact O-N 3.37Å; S463-E533 WeakPolarHBondContact CB-OE1 3.4Å; S463-E533 PolarHBondContact OG-OE1 2.76Å; S463-E533 PolarHBondContact OG-OE2 2.93Å
464	I	87.9	Confident	87.9	Confident	14 Å²	14	40 Å²	40	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-51.8	-30.9	174.6	-73.3	178	0	0	0	113.9	H310 V460 P461 Q462 L525 L529	H310-I464 HydrophobicContact CB-CG2 4.13Å; V460-I464 HydrophobicContact CG1-CG2 4.36Å; P461-I464 HydrophobicContact CB-CB 4.39Å; P461-I464 HydrophobicContact CB-CD1 4.2Å; P461-I464 HydrophobicContact CB-CG1 4.33Å; P461-I464 HydrophobicContact CG-CD1 3.89Å; Q462-I464 PolarHBondContact O-N 2.86Å; I464-L525 HydrophobicContact CD1-CB 4.2Å; I464-L525 HydrophobicContact CD1-CD2 4.43Å; I464-L529 HydrophobicContact CD1-CD2 4.15Å; I464-L529 HydrophobicContact CG1-CD2 4.41Å
465	L	91.1	Very high	88.6	Confident	11 Å²	11	38 Å²	38	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-89.4	-32.8	178.9	-65	170.7	0	0	0	112.6	D303 A306 L307 V460 Q462 S463 G469	D303-L465 HydrophobicContact CB-CD1 4.02Å; D303-L465 HydrophobicContact CB-CD2 4.1Å; A306-L465 HydrophobicContact CB-CD2 3.8Å; L307-L465 HydrophobicContact CB-CD2 4.11Å; V460-L465 HydrophobicContact CB-CD1 4Å; V460-L465 HydrophobicContact CG1-CD1 3.74Å; V460-L465 HydrophobicContact CG1-CD2 3.95Å; V460-L465 HydrophobicContact CG1-CG 3.71Å; Q462-L465 CarbonylContact O-C 3.58Å; Q462-L465 WeakPolarHBondContact O-CA 3.39Å; Q462-L465 WeakPolarHBondContact O-CB 3.11Å; Q462-L465 PolarHBondContact O-N 2.71Å; S463-L465 PolarHBondContact O-N 2.76Å; L465-G469 WeakPolarHBondContact O-CA 3.29Å; L465-G469 PolarHBondContact O-N 2.98Å
466	D	89.4	Confident	89.2	Confident	95 Å²	95	39.3 Å²	39.3	51%	0.508	21%	0.213	S	C	.	.	H	α-helix	trans	-72.5	-38.4	178.1	-61	-36.2	0	0	0	110.8	Q462 S463 S470	Q462-D466 VanDerWaalsContact C-OD2 3.32Å; Q462-D466 PolarHBondContact O-N 2.96Å; Q462-D466 VanDerWaalsContact O-OD2 3.11Å; S463-D466 PolarHBondContact O-N 2.84Å; D466-S470 WeakPolarHBondContact O-CB 3.4Å; D466-S470 PolarHBondContact O-N 3.32Å; D466-S470 PolarHBondContact O-OG 3.16Å
467	D	87.4	Confident	89.4	Confident	105 Å²	105	45.9 Å²	45.9	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-62.7	-63.2	177.2	-65.3	-30.9	0	0	0	111.2	S463 G469 S470 H471	S463-D467 WeakPolarHBondContact O-CB 3.29Å; S463-D467 PolarHBondContact O-N 3.37Å; D467-G469 VanDerWaalsContact C-N 3.26Å; D467-G469 PolarHBondContact O-N 3.07Å; D467-S470 WeakPolarHBondContact O-CB 3.31Å; D467-S470 PolarHBondContact O-N 3.28Å; D467-H471 PolarHBondContact O-CD2 3.12Å
468	E	89.9	Confident	89.5	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-30.7	178	-56.5	-86.5	-165.4	0	0	110.8	A306 L309 H310 R313 N314 S470 H471 L472	A306-E468 HydrophobicContact CB-CB 4.16Å; L309-E468 HydrophobicContact CD2-CB 4.48Å; L309-E468 WeakPolarHBondContact CD2-OE2 3.37Å; L309-E468 WeakPolarHBondContact CG-OE2 3.45Å; H310-E468 WeakPolarHBondContact CA-OE1 3.41Å; H310-E468 HydrophobicContact CB-CG 4.13Å; H310-E468 IonicContact ND1-OE1 2.71Å; R313-E468 IonicContact CZ-OE2 2.68Å; R313-E468 IonicContact NH1-OE2 3.25Å; R313-E468 PolarHBondContact NH1-OE2 3.05Å; N314-E468 PolarHBondContact ND2-OE1 3.47Å; E468-S470 VanDerWaalsContact C-N 3.32Å; E468-S470 PolarHBondContact O-N 3.48Å; E468-H471 PolarHBondContact O-N 3.18Å; E468-L472 VanDerWaalsContact O-CG 3.23Å; E468-L472 WeakPolarHBondContact O-CG 3.45Å; E468-L472 PolarHBondContact O-N 3.28Å
469	G	89.4	Confident	89.7	Confident	17 Å²	17	53.9 Å²	53.9	18%	0.175	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-36.7	175.4	0	0	0	0	0	113.3	L465 D467 L472 I473	L465-G469 WeakPolarHBondContact O-CA 3.29Å; L465-G469 PolarHBondContact O-N 2.98Å; D467-G469 VanDerWaalsContact C-N 3.26Å; D467-G469 PolarHBondContact O-N 3.07Å; G469-L472 PolarHBondContact O-N 2.95Å; G469-I473 WeakPolarHBondContact O-CG1 3.44Å; G469-I473 PolarHBondContact O-N 3.22Å
470	S	87.8	Confident	89.9	Confident	72 Å²	72	57 Å²	57	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.4	-61.9	0	0	0	0	111.5	D466 D467 E468 L472 I473 T474	D466-S470 WeakPolarHBondContact O-CB 3.4Å; D466-S470 PolarHBondContact O-N 3.32Å; D466-S470 PolarHBondContact O-OG 3.16Å; D467-S470 WeakPolarHBondContact O-CB 3.31Å; D467-S470 PolarHBondContact O-N 3.28Å; E468-S470 VanDerWaalsContact C-N 3.32Å; E468-S470 PolarHBondContact O-N 3.48Å; S470-L472 PolarHBondContact O-N 2.96Å; S470-I473 PolarHBondContact O-N 3.27Å; S470-T474 PolarHBondContact O-N 2.59Å; S470-T474 PolarHBondContact O-OG1 2.94Å
471	H	86.9	Confident	90.1	Very high	109 Å²	109	62.1 Å²	62.1	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-45.1	173.3	-69.9	-72.9	0	0	0	111.8	D467 E468 I473 T474 A475	D467-H471 PolarHBondContact O-CD2 3.12Å; E468-H471 PolarHBondContact O-N 3.18Å; H471-I473 PolarHBondContact O-N 2.92Å; H471-T474 PolarHBondContact O-N 3.27Å; H471-A475 PolarHBondContact O-N 3.08Å
472	L	90.4	Very high	90.4	Very high	14 Å²	14	62.1 Å²	62.1	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-39.2	179.3	-70.7	167.1	0	0	0	112.9	P305 A306 L309 L338 E468 G469 S470 A475 H476	P305-L472 HydrophobicContact CB-CD1 3.97Å; P305-L472 HydrophobicContact CB-CD2 4.37Å; A306-L472 VanDerWaalsContact CA-CD1 3.44Å; A306-L472 HydrophobicContact CB-CD1 3.72Å; A306-L472 VanDerWaalsContact N-CD1 3.34Å; L309-L472 HydrophobicContact CD2-CD2 4.12Å; L309-L472 HydrophobicContact CD2-CG 4.26Å; L338-L472 HydrophobicContact CD1-CD2 3.63Å; L338-L472 HydrophobicContact CD2-CD2 3.79Å; L338-L472 HydrophobicContact CG-CD2 3.94Å; E468-L472 VanDerWaalsContact O-CG 3.23Å; E468-L472 WeakPolarHBondContact O-CG 3.45Å; E468-L472 PolarHBondContact O-N 3.28Å; G469-L472 PolarHBondContact O-N 2.95Å; S470-L472 PolarHBondContact O-N 2.96Å; L472-A475 PolarHBondContact O-N 3.04Å; L472-H476 PolarHBondContact O-N 3.41Å; L472-H476 PolarHBondContact O-ND1 3.39Å
473	I	91.7	Very high	90.9	Very high	100 Å²	100	62.4 Å²	62.4	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-51.6	174.8	-70.7	163.3	0	0	0	109.6	G469 S470 H471 A475 H476 E477	G469-I473 WeakPolarHBondContact O-CG1 3.44Å; G469-I473 PolarHBondContact O-N 3.22Å; S470-I473 PolarHBondContact O-N 3.27Å; H471-I473 PolarHBondContact O-N 2.92Å; I473-A475 VanDerWaalsContact C-N 3.31Å; I473-A475 PolarHBondContact O-N 3.05Å; I473-H476 PolarHBondContact O-N 2.97Å; I473-H476 VanDerWaalsContact O-N 3.09Å; I473-E477 HydrophobicContact CG2-CG 4.35Å; I473-E477 WeakPolarHBondContact O-CG 3.27Å; I473-E477 PolarHBondContact O-N 2.87Å
474	T	91.3	Very high	91.4	Very high	71 Å²	71	65.1 Å²	65.1	44%	0.436	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-38.9	177.3	-60.2	0	0	0	0	112.6	S470 H471 H476 E477 N478	S470-T474 PolarHBondContact O-N 2.59Å; S470-T474 PolarHBondContact O-OG1 2.94Å; H471-T474 PolarHBondContact O-N 3.27Å; T474-H476 PolarHBondContact O-N 3.04Å; T474-E477 PolarHBondContact O-N 2.91Å; T474-N478 WeakPolarHBondContact CG2-ND2 3.39Å; T474-N478 WeakPolarHBondContact O-CB 3.42Å; T474-N478 VanDerWaalsContact O-CG 3.26Å; T474-N478 PolarHBondContact O-N 3.41Å; T474-N478 PolarHBondContact O-ND2 3.42Å
475	A	90.5	Very high	91.7	Very high	12 Å²	12	66.6 Å²	66.6	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.2	0	0	0	0	0	112.5	H471 L472 I473 S479 L482	H471-A475 PolarHBondContact O-N 3.08Å; L472-A475 PolarHBondContact O-N 3.04Å; I473-A475 VanDerWaalsContact C-N 3.31Å; I473-A475 PolarHBondContact O-N 3.05Å; A475-S479 PolarHBondContact O-N 2.85Å; A475-L482 HydrophobicContact CB-CD2 4.15Å
476	H	92.9	Very high	91.9	Very high	33 Å²	33	69.4 Å²	69.4	15%	0.153	37%	0.371	C	S	.	.	H	α-helix	trans	-72.3	-39.6	176	-72.3	77.5	0	0	0	112.3	Y334 L472 I473 T474 N478 S479 Q483	Y334-H476 AromaticContact CE2-NE2 3.4Å; Y334-H476 WeakPolarHBondContact CE2-NE2 3.37Å; Y334-H476 AromaticContact CZ-NE2 3.6Å; Y334-H476 PolarHBondContact OH-CE1 2.66Å; Y334-H476 PolarHBondContact OH-NE2 2.94Å; L472-H476 PolarHBondContact O-N 3.41Å; L472-H476 PolarHBondContact O-ND1 3.39Å; I473-H476 PolarHBondContact O-N 2.97Å; I473-H476 VanDerWaalsContact O-N 3.09Å; T474-H476 PolarHBondContact O-N 3.04Å; H476-N478 VanDerWaalsContact C-N 3.3Å; H476-N478 PolarHBondContact O-N 3.2Å; H476-S479 PolarHBondContact O-N 3.42Å; H476-Q483 HydrophobicContact CB-CG 4.33Å; H476-Q483 VanDerWaalsContact O-CG 3.28Å; H476-Q483 WeakPolarHBondContact O-CG 3.31Å; H476-Q483 PolarHBondContact O-NE2 2.9Å
477	E	93	Very high	92.2	Very high	138 Å²	138	73.1 Å²	73.1	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-62.2	-38.3	176.3	-71.8	178.8	151.4	0	0	111.8	I473 T474	I473-E477 HydrophobicContact CG2-CG 4.35Å; I473-E477 WeakPolarHBondContact O-CG 3.27Å; I473-E477 PolarHBondContact O-N 2.87Å; T474-E477 PolarHBondContact O-N 2.91Å
478	N	92.6	Very high	92.6	Very high	134 Å²	134	71.3 Å²	71.3	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-76.2	-16.7	178	-72.1	-35	0	0	0	114.8	T474 H476	T474-N478 WeakPolarHBondContact CG2-ND2 3.39Å; T474-N478 WeakPolarHBondContact O-CB 3.42Å; T474-N478 VanDerWaalsContact O-CG 3.26Å; T474-N478 PolarHBondContact O-N 3.41Å; T474-N478 PolarHBondContact O-ND2 3.42Å; H476-N478 VanDerWaalsContact C-N 3.3Å; H476-N478 PolarHBondContact O-N 3.2Å
479	S	94.1	Very high	92.8	Very high	35 Å²	35	70.6 Å²	70.6	25%	0.245	37%	0.368	C	S	.	.			trans	-132.3	104.3	-174.7	-178.2	0	0	0	0	113.6	A475 H476 D481 L482 Q483	A475-S479 PolarHBondContact O-N 2.85Å; H476-S479 PolarHBondContact O-N 3.42Å; S479-D481 VanDerWaalsContact C-N 3.26Å; S479-D481 PolarHBondContact O-N 2.87Å; S479-L482 WeakPolarHBondContact O-CB 3.48Å; S479-L482 PolarHBondContact O-N 2.95Å; S479-L482 WeakPolarHBondContact OG-CB 3Å; S479-L482 PolarHBondContact OG-N 3.45Å; S479-Q483 PolarHBondContact O-N 3.15Å; S479-Q483 VanDerWaalsContact O-N 3.11Å
480	L	93.9	Very high	93	Very high	116 Å²	116	73.2 Å²	73.2	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-60	-35.3	173.2	179.9	60.8	0	0	0	112.4	Q483 N484	L480-Q483 PolarHBondContact O-N 3.42Å; L480-N484 WeakPolarHBondContact O-CB 3.19Å; L480-N484 VanDerWaalsContact O-CG 3.32Å; L480-N484 PolarHBondContact O-N 3.35Å; L480-N484 PolarHBondContact O-ND2 3.35Å
481	D	93.7	Very high	93.3	Very high	112 Å²	112	73.5 Å²	73.5	60%	0.599	37%	0.371	S	S	*	.	H	α-helix	trans	-69	-36.5	177.9	-71.8	-33.9	0	0	0	111.6	S479 N484 L485	S479-D481 VanDerWaalsContact C-N 3.26Å; S479-D481 PolarHBondContact O-N 2.87Å; D481-N484 PolarHBondContact O-N 2.99Å; D481-L485 WeakPolarHBondContact O-CB 3.48Å; D481-L485 VanDerWaalsContact O-CG 3.32Å; D481-L485 WeakPolarHBondContact O-CG 3.49Å; D481-L485 PolarHBondContact O-N 2.8Å
482	L	94.2	Very high	93.6	Very high	2 Å²	2	69 Å²	69	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-41.9	173.5	-172.1	64.8	0	0	0	111.7	Y334 E337 L338 A475 S479 N484 L485 H486	Y334-L482 HydrophobicContact CD2-CD1 3.82Å; Y334-L482 HydrophobicContact CE2-CD1 3.67Å; Y334-L482 HydrophobicContact CE2-CG 4.2Å; E337-L482 HydrophobicContact CB-CD1 4.21Å; E337-L482 HydrophobicContact CG-CD1 4.37Å; L338-L482 HydrophobicContact CB-CD1 3.97Å; L338-L482 HydrophobicContact CD1-CD1 3.97Å; L338-L482 HydrophobicContact CD1-CD2 3.65Å; L338-L482 HydrophobicContact CD1-CG 4.3Å; A475-L482 HydrophobicContact CB-CD2 4.15Å; S479-L482 WeakPolarHBondContact O-CB 3.48Å; S479-L482 PolarHBondContact O-N 2.95Å; S479-L482 WeakPolarHBondContact OG-CB 3Å; S479-L482 PolarHBondContact OG-N 3.45Å; L482-N484 VanDerWaalsContact C-N 3.34Å; L482-N484 PolarHBondContact O-N 2.91Å; L482-L485 PolarHBondContact O-N 2.8Å; L482-H486 WeakPolarHBondContact O-CB 3.37Å; L482-H486 PolarHBondContact O-N 3.19Å
483	Q	94.4	Very high	93.6	Very high	84 Å²	84	69.1 Å²	69.1	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-42.8	172.4	-63.7	178.2	23.6	0	0	112.1	H476 S479 L480 H486 R487	H476-Q483 HydrophobicContact CB-CG 4.33Å; H476-Q483 VanDerWaalsContact O-CG 3.28Å; H476-Q483 WeakPolarHBondContact O-CG 3.31Å; H476-Q483 PolarHBondContact O-NE2 2.9Å; S479-Q483 PolarHBondContact O-N 3.15Å; S479-Q483 VanDerWaalsContact O-N 3.11Å; L480-Q483 PolarHBondContact O-N 3.42Å; Q483-H486 PolarHBondContact O-N 3.26Å; Q483-R487 WeakPolarHBondContact O-CB 3.3Å; Q483-R487 PolarHBondContact O-N 2.69Å
484	N	95.8	Very high	93.7	Very high	76 Å²	76	68.6 Å²	68.6	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-46.8	177.1	-76.1	-41.2	0	0	0	111.4	L480 D481 L482 R487 V488	L480-N484 WeakPolarHBondContact O-CB 3.19Å; L480-N484 VanDerWaalsContact O-CG 3.32Å; L480-N484 PolarHBondContact O-N 3.35Å; L480-N484 PolarHBondContact O-ND2 3.35Å; D481-N484 PolarHBondContact O-N 2.99Å; L482-N484 VanDerWaalsContact C-N 3.34Å; L482-N484 PolarHBondContact O-N 2.91Å; N484-R487 PolarHBondContact O-N 3.02Å; N484-V488 WeakPolarHBondContact O-CG2 3.44Å; N484-V488 PolarHBondContact O-N 2.82Å
485	L	95.4	Very high	93.6	Very high	46 Å²	46	70.7 Å²	70.7	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-41.8	176.3	-74.2	172.1	0	0	0	112.1	E333 Y334 E337 D481 L482 V488 S489	E333-L485 HydrophobicContact CB-CD2 4.23Å; Y334-L485 HydrophobicContact CD2-CB 4.11Å; E337-L485 HydrophobicContact CB-CD1 3.79Å; E337-L485 HydrophobicContact CG-CD1 4.01Å; D481-L485 WeakPolarHBondContact O-CB 3.48Å; D481-L485 VanDerWaalsContact O-CG 3.32Å; D481-L485 WeakPolarHBondContact O-CG 3.49Å; D481-L485 PolarHBondContact O-N 2.8Å; L482-L485 PolarHBondContact O-N 2.8Å; L485-V488 PolarHBondContact O-N 3.48Å; L485-S489 WeakPolarHBondContact O-CB 3.39Å; L485-S489 PolarHBondContact O-N 2.74Å
486	H	94.9	Very high	93.5	Very high	70 Å²	70	71.9 Å²	71.9	32%	0.324	35%	0.353	S	S	.	.	H	α-helix	trans	-57.6	-52.4	173.8	-177.6	-120.8	0	0	0	110.9	Y334 L482 Q483 V488 S489 E490	Y334-H486 HydrophobicContact CD2-CB 3.95Å; Y334-H486 AromaticContact CE1-CD2 3.96Å; Y334-H486 HydrophobicContact CE2-CB 3.59Å; Y334-H486 AromaticContact CZ-CD2 3.63Å; L482-H486 WeakPolarHBondContact O-CB 3.37Å; L482-H486 PolarHBondContact O-N 3.19Å; Q483-H486 PolarHBondContact O-N 3.26Å; H486-V488 VanDerWaalsContact C-N 3.29Å; H486-V488 PolarHBondContact O-N 2.82Å; H486-S489 PolarHBondContact O-N 3.03Å; H486-S489 VanDerWaalsContact O-N 3.15Å; H486-S489 PolarHBondContact O-OG 3.02Å; H486-E490 PolarHBondContact O-N 3.01Å
487	R	95.3	Very high	93.4	Very high	172 Å²	172	73.3 Å²	73.3	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-34.4	178.5	-172.6	178.5	-179.6	-173.3	1.7	112.9	Q483 N484 N491	Q483-R487 WeakPolarHBondContact O-CB 3.3Å; Q483-R487 PolarHBondContact O-N 2.69Å; N484-R487 PolarHBondContact O-N 3.02Å; R487-N491 PolarHBondContact O-N 2.95Å; R487-N491 PolarHBondContact O-ND2 2.82Å
488	V	95.8	Very high	93.2	Very high	67 Å²	67	75.4 Å²	75.4	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-72.4	-41.5	175.6	171.8	0	0	0	0	111.2	H330 N484 L485 H486 N491 A492	H330-V488 HydrophobicContact CB-CG1 4.05Å; N484-V488 WeakPolarHBondContact O-CG2 3.44Å; N484-V488 PolarHBondContact O-N 2.82Å; L485-V488 PolarHBondContact O-N 3.48Å; H486-V488 VanDerWaalsContact C-N 3.29Å; H486-V488 PolarHBondContact O-N 2.82Å; V488-N491 PolarHBondContact O-N 3.21Å; V488-A492 WeakPolarHBondContact O-CB 3.37Å; V488-A492 PolarHBondContact O-N 3.2Å
489	S	94.9	Very high	92.8	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-42.4	178.2	78.7	0	0	0	0	112.2	H330 L485 H486 N491 A492 Y493	H330-S489 WeakPolarHBondContact O-CB 3.37Å; L485-S489 WeakPolarHBondContact O-CB 3.39Å; L485-S489 PolarHBondContact O-N 2.74Å; H486-S489 PolarHBondContact O-N 3.03Å; H486-S489 VanDerWaalsContact O-N 3.15Å; H486-S489 PolarHBondContact O-OG 3.02Å; S489-N491 PolarHBondContact O-N 2.95Å; S489-A492 CarbonylContact O-C 3.5Å; S489-A492 WeakPolarHBondContact O-CB 3.38Å; S489-A492 PolarHBondContact O-N 3.05Å; S489-Y493 PolarHBondContact O-N 3.38Å
490	E	94.1	Very high	92.5	Very high	71 Å²	71	70.3 Å²	70.3	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-51.5	-52.3	169.4	-100.4	-125.5	101.7	0	0	112.7	H486 A492 Y493 K494	H486-E490 PolarHBondContact O-N 3.01Å; E490-A492 VanDerWaalsContact C-N 3.31Å; E490-A492 PolarHBondContact O-N 3.44Å; E490-Y493 WeakPolarHBondContact O-CB 3.33Å; E490-Y493 PolarHBondContact O-N 3.26Å; E490-Y493 VanDerWaalsContact O-N 3.14Å; E490-K494 WeakPolarHBondContact O-CD 3.39Å; E490-K494 VanDerWaalsContact O-CG 3.31Å; E490-K494 WeakPolarHBondContact O-CG 3.4Å; E490-K494 PolarHBondContact O-N 3.39Å; E490-K494 WeakPolarHBondContact OE1-CE 3.23Å; E490-K494 IonicContact OE1-NZ 2.62Å; E490-K494 PolarHBondContact OE1-NZ 3.05Å; E490-K494 IonicContact OE2-NZ 3.5Å; E490-K494 PolarHBondContact OE2-NZ 2.88Å
491	N	94.2	Very high	92.1	Very high	79 Å²	79	67 Å²	67	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-34.3	-178.1	-79.1	-58.4	0	0	0	111.7	R487 V488 S489 Q495	R487-N491 PolarHBondContact O-N 2.95Å; R487-N491 PolarHBondContact O-ND2 2.82Å; V488-N491 PolarHBondContact O-N 3.21Å; S489-N491 PolarHBondContact O-N 2.95Å; N491-Q495 PolarHBondContact O-N 3.29Å
492	A	91.6	Very high	91.9	Very high	14 Å²	14	68.6 Å²	68.6	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-38.2	170.6	0	0	0	0	0	111.9	T328 H330 V488 S489 E490 Q495 Y496	T328-A492 HydrophobicContact CG2-CB 4.22Å; H330-A492 HydrophobicContact CB-CB 4.14Å; V488-A492 WeakPolarHBondContact O-CB 3.37Å; V488-A492 PolarHBondContact O-N 3.2Å; S489-A492 CarbonylContact O-C 3.5Å; S489-A492 WeakPolarHBondContact O-CB 3.38Å; S489-A492 PolarHBondContact O-N 3.05Å; E490-A492 VanDerWaalsContact C-N 3.31Å; E490-A492 PolarHBondContact O-N 3.44Å; A492-Q495 WeakPolarHBondContact O-CB 3.37Å; A492-Q495 PolarHBondContact O-N 3.28Å; A492-Q495 VanDerWaalsContact O-N 3.14Å; A492-Y496 PolarHBondContact O-N 3.28Å
493	Y	92.2	Very high	91.8	Very high	17 Å²	17	69.5 Å²	69.5	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-42.6	175.6	-160.1	-132.2	0	0	0	111.5	V301 A327 H331 N395 S489 E490 Q495 Y496 L497	V301-Y493 HydrophobicContact CG1-CE1 4.45Å; A327-Y493 HydrophobicContact CB-CD2 4.42Å; A327-Y493 HydrophobicContact CB-CE2 4.28Å; H331-Y493 AromaticContact CE1-CD2 3.62Å; H331-Y493 AromaticContact CE1-CG 3.81Å; N395-Y493 VanDerWaalsContact ND2-CE2 3.29Å; N395-Y493 WeakPolarHBondContact ND2-CE2 3.19Å; S489-Y493 PolarHBondContact O-N 3.38Å; E490-Y493 WeakPolarHBondContact O-CB 3.33Å; E490-Y493 PolarHBondContact O-N 3.26Å; E490-Y493 VanDerWaalsContact O-N 3.14Å; Y493-Q495 PolarHBondContact O-N 2.77Å; Y493-Q495 VanDerWaalsContact O-N 3.12Å; Y493-Y496 AromaticContact CD2-CD1 3.84Å; Y493-Y496 HydrophobicContact CD2-CD1 3.84Å; Y493-Y496 HydrophobicContact CD2-CG 4.5Å; Y493-Y496 AromaticContact CE2-CD1 3.69Å; Y493-Y496 HydrophobicContact CE2-CD1 3.69Å; Y493-Y496 HydrophobicContact CE2-CE1 4.08Å; Y493-Y496 PolarHBondContact O-N 3.1Å; Y493-Y496 VanDerWaalsContact O-N 3.09Å; Y493-L497 HydrophobicContact CD1-CD1 3.86Å; Y493-L497 HydrophobicContact CD1-CG 4.25Å; Y493-L497 HydrophobicContact CD2-CG 4.46Å; Y493-L497 HydrophobicContact CE1-CD1 3.82Å; Y493-L497 HydrophobicContact CE1-CD2 4.17Å; Y493-L497 HydrophobicContact CE1-CG 4.14Å; Y493-L497 HydrophobicContact CE2-CD2 4.2Å; Y493-L497 HydrophobicContact CE2-CG 4.35Å; Y493-L497 HydrophobicContact CG-CD1 4.42Å; Y493-L497 HydrophobicContact CG-CG 4.41Å; Y493-L497 WeakPolarHBondContact O-CB 3.47Å; Y493-L497 WeakPolarHBondContact O-CG 3.45Å; Y493-L497 PolarHBondContact O-N 3.22Å
494	K	92.4	Very high	91.6	Very high	89 Å²	89	67.5 Å²	67.5	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-15.5	174.2	-68	160.5	-170.1	171.9	0	113.4	E490 K498	E490-K494 WeakPolarHBondContact O-CD 3.39Å; E490-K494 VanDerWaalsContact O-CG 3.31Å; E490-K494 WeakPolarHBondContact O-CG 3.4Å; E490-K494 PolarHBondContact O-N 3.39Å; E490-K494 WeakPolarHBondContact OE1-CE 3.23Å; E490-K494 IonicContact OE1-NZ 2.62Å; E490-K494 PolarHBondContact OE1-NZ 3.05Å; E490-K494 IonicContact OE2-NZ 3.5Å; E490-K494 PolarHBondContact OE2-NZ 2.88Å; K494-K498 WeakPolarHBondContact O-CD 3.47Å; K494-K498 WeakPolarHBondContact O-CE 3.46Å
495	Q	89.5	Confident	91.4	Very high	114 Å²	114	67.1 Å²	67.1	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-90.9	-46.5	167	-65.2	-178.3	31.8	0	0	112	N491 A492 Y493 L497 K498 S499	N491-Q495 PolarHBondContact O-N 3.29Å; A492-Q495 WeakPolarHBondContact O-CB 3.37Å; A492-Q495 PolarHBondContact O-N 3.28Å; A492-Q495 VanDerWaalsContact O-N 3.14Å; Y493-Q495 PolarHBondContact O-N 2.77Å; Y493-Q495 VanDerWaalsContact O-N 3.12Å; Q495-L497 VanDerWaalsContact C-N 3.31Å; Q495-L497 PolarHBondContact O-N 3.45Å; Q495-K498 WeakPolarHBondContact O-CB 3.41Å; Q495-K498 PolarHBondContact O-N 3.28Å; Q495-S499 PolarHBondContact O-N 3.31Å
496	Y	89.4	Confident	91	Very high	37 Å²	37	69.5 Å²	69.5	15%	0.145	35%	0.352	C	S	.	.	H	α-helix	trans	-54.3	-43.6	176.4	171.9	-97.1	0	0	0	112.4	A327 T328 A492 Y493 K498 S499 R500	A327-Y496 HydrophobicContact CB-CD1 3.86Å; A327-Y496 HydrophobicContact CB-CD2 4.1Å; A327-Y496 HydrophobicContact CB-CE1 3.68Å; A327-Y496 HydrophobicContact CB-CE2 3.94Å; A327-Y496 HydrophobicContact CB-CG 4.07Å; T328-Y496 HydrophobicContact CG2-CD2 4.49Å; T328-Y496 HydrophobicContact CG2-CG 4.33Å; A492-Y496 PolarHBondContact O-N 3.28Å; Y493-Y496 AromaticContact CD2-CD1 3.84Å; Y493-Y496 HydrophobicContact CD2-CD1 3.84Å; Y493-Y496 HydrophobicContact CD2-CG 4.5Å; Y493-Y496 AromaticContact CE2-CD1 3.69Å; Y493-Y496 HydrophobicContact CE2-CD1 3.69Å; Y493-Y496 HydrophobicContact CE2-CE1 4.08Å; Y493-Y496 PolarHBondContact O-N 3.1Å; Y493-Y496 VanDerWaalsContact O-N 3.09Å; Y496-K498 PolarHBondContact O-N 2.76Å; Y496-K498 VanDerWaalsContact O-N 3.09Å; Y496-S499 PolarHBondContact O-N 3.08Å; Y496-S499 PolarHBondContact O-OG 3.38Å; Y496-R500 HydrophobicContact CE1-CB 4.38Å; Y496-R500 HydrophobicContact CE1-CG 4.33Å; Y496-R500 WeakPolarHBondContact O-CB 3.47Å; Y496-R500 PolarHBondContact O-N 3.49Å
497	L	89.9	Confident	90.8	Very high	63 Å²	63	66.1 Å²	66.1	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-18.5	176.9	-69.3	174.8	0	0	0	113.8	Y493 Q495	Y493-L497 HydrophobicContact CD1-CD1 3.86Å; Y493-L497 HydrophobicContact CD1-CG 4.25Å; Y493-L497 HydrophobicContact CD2-CG 4.46Å; Y493-L497 HydrophobicContact CE1-CD1 3.82Å; Y493-L497 HydrophobicContact CE1-CD2 4.17Å; Y493-L497 HydrophobicContact CE1-CG 4.14Å; Y493-L497 HydrophobicContact CE2-CD2 4.2Å; Y493-L497 HydrophobicContact CE2-CG 4.35Å; Y493-L497 HydrophobicContact CG-CD1 4.42Å; Y493-L497 HydrophobicContact CG-CG 4.41Å; Y493-L497 WeakPolarHBondContact O-CB 3.47Å; Y493-L497 WeakPolarHBondContact O-CG 3.45Å; Y493-L497 PolarHBondContact O-N 3.22Å; Q495-L497 VanDerWaalsContact C-N 3.31Å; Q495-L497 PolarHBondContact O-N 3.45Å
498	K	89.6	Confident	90.6	Very high	182 Å²	182	60.9 Å²	60.9	79%	0.791	32%	0.321	S	S	*	.	H	α-helix	trans	-92.2	-19.4	176.7	-60	173.9	-176.7	171.1	0	113.3	K494 Q495 Y496	K494-K498 WeakPolarHBondContact O-CD 3.47Å; K494-K498 WeakPolarHBondContact O-CE 3.46Å; Q495-K498 WeakPolarHBondContact O-CB 3.41Å; Q495-K498 PolarHBondContact O-N 3.28Å; Y496-K498 PolarHBondContact O-N 2.76Å; Y496-K498 VanDerWaalsContact O-N 3.09Å
499	S	83.9	Confident	90.3	Very high	37 Å²	37	66.7 Å²	66.7	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-102.7	-15.6	174.4	58.8	0	0	0	0	113.2	Q495 Y496 P501	Q495-S499 PolarHBondContact O-N 3.31Å; Y496-S499 PolarHBondContact O-N 3.08Å; Y496-S499 PolarHBondContact O-OG 3.38Å; S499-P501 WeakPolarHBondContact O-CD 3.47Å
500	R	87.2	Confident	89.9	Confident	26 Å²	26	70.4 Å²	70.4	10%	0.098	35%	0.349	C	S	.	.	S	Bend	trans	-57.7	123.3	173.6	-170.6	170.9	69	177	0.2	109.8	D426 Y430 Y496	D426-R500 IonicContact OD2-CZ 3.57Å; D426-R500 VanDerWaalsContact OD2-CZ 3.32Å; D426-R500 IonicContact OD2-NH1 3.23Å; D426-R500 PolarHBondContact OD2-NH1 2.78Å; D426-R500 IonicContact OD2-NH2 3.38Å; D426-R500 PolarHBondContact OD2-NH2 2.89Å; Y430-R500 PolarHBondContact OH-NE 2.88Å; Y430-R500 VanDerWaalsContact OH-NE 3.07Å; Y496-R500 HydrophobicContact CE1-CB 4.38Å; Y496-R500 HydrophobicContact CE1-CG 4.33Å; Y496-R500 WeakPolarHBondContact O-CB 3.47Å; Y496-R500 PolarHBondContact O-N 3.49Å
501	P	86.6	Confident	89.6	Confident	45 Å²	45	68.1 Å²	68.1	29%	0.292	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-58.4	138.6	174.1	-25.3	35.3	0	0	0	111.4	Y430 S499 L690	Y430-P501 WeakPolarHBondContact CE1-O 3.29Å; Y430-P501 PolarHBondContact OH-O 3.2Å; S499-P501 WeakPolarHBondContact O-CD 3.47Å; P501-L690 HydrophobicContact CG-CD1 4.32Å
502	N	89.4	Confident	89.3	Confident	147 Å²	147	72.7 Å²	72.7	79%	0.786	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-65.5	148.8	178.6	-73.3	-19.8	0	0	0	111.9
503	P	92.1	Very high	88.8	Confident	21 Å²	21	76.4 Å²	76.4	14%	0.136	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-77.2	170.5	173.4	31.4	-26.7	0	0	0	110.9	P429 Y430 D433 I508	P429-P503 HydrophobicContact CB-CB 3.73Å; P429-P503 HydrophobicContact CB-CG 3.59Å; P429-P503 HydrophobicContact CG-CG 4.28Å; Y430-P503 HydrophobicContact CD1-CB 3.81Å; Y430-P503 HydrophobicContact CD2-CB 4.41Å; Y430-P503 HydrophobicContact CE1-CB 3.75Å; Y430-P503 HydrophobicContact CE1-CG 4.08Å; Y430-P503 HydrophobicContact CE2-CB 4.35Å; Y430-P503 HydrophobicContact CE2-CG 4.08Å; Y430-P503 HydrophobicContact CG-CB 4.17Å; Y430-P503 WeakPolarHBondContact OH-CD 3.46Å; D433-P503 VanDerWaalsContact OD2-CA 3.29Å; D433-P503 WeakPolarHBondContact OD2-CA 3.36Å; D433-P503 VanDerWaalsContact OD2-CB 3.29Å; D433-P503 WeakPolarHBondContact OD2-CB 3.45Å; P503-I508 HydrophobicContact CG-CD1 4.02Å; P503-I508 HydrophobicContact CG-CG1 3.94Å
504	S	90.1	Very high	88.3	Confident	41 Å²	41	77 Å²	77	29%	0.287	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.7	143.2	-179.1	80.5	0	0	0	0	112.4	D433 E506 S507 I508	D433-S504 VanDerWaalsContact OD1-CB 3.24Å; D433-S504 WeakPolarHBondContact OD1-CB 3.45Å; D433-S504 PolarHBondContact OD1-OG 3.16Å; D433-S504 PolarHBondContact OD2-N 3.2Å; S504-E506 PolarHBondContact O-N 3.09Å; S504-S507 PolarHBondContact O-N 3.08Å; S504-S507 WeakPolarHBondContact OG-CB 3.42Å; S504-S507 PolarHBondContact OG-N 3.01Å; S504-S507 VanDerWaalsContact OG-N 3.15Å; S504-S507 PolarHBondContact OG-OG 3.27Å; S504-I508 WeakPolarHBondContact O-CG1 3.43Å; S504-I508 PolarHBondContact O-N 3.14Å
505	A	90.1	Very high	87.4	Confident	69 Å²	69	75.5 Å²	75.5	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-61.8	-27.1	178.5	0	0	0	0	0	112.8	R509	A505-R509 WeakPolarHBondContact O-CG 3.34Å; A505-R509 PolarHBondContact O-N 3.42Å
506	E	88.1	Confident	86.6	Confident	95 Å²	95	71.9 Å²	71.9	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-72.5	-45.8	176.4	-160.8	-164.9	-165.2	0	0	111.3	S504 I508 R509 R510	S504-E506 PolarHBondContact O-N 3.09Å; E506-I508 VanDerWaalsContact C-N 3.32Å; E506-I508 PolarHBondContact O-N 2.75Å; E506-R509 WeakPolarHBondContact O-CA 3.26Å; E506-R509 WeakPolarHBondContact O-CB 3.37Å; E506-R509 PolarHBondContact O-N 2.91Å; E506-R510 VanDerWaalsContact CD-CZ 3.4Å; E506-R510 PolarHBondContact O-N 3.34Å; E506-R510 IonicContact OE1-CZ 3.76Å; E506-R510 IonicContact OE1-NH1 3.07Å; E506-R510 IonicContact OE1-NH2 2.68Å; E506-R510 PolarHBondContact OE1-NH2 2.67Å; E506-R510 IonicContact OE2-CZ 3.41Å; E506-R510 IonicContact OE2-NH1 2.63Å; E506-R510 PolarHBondContact OE2-NH1 3.24Å; E506-R510 IonicContact OE2-NH2 3.36Å; E506-R510 PolarHBondContact OE2-NH2 3.11Å
507	S	90.9	Very high	85.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64.2	-33.6	174.5	-70.8	0	0	0	0	112.6	P429 Y432 D433 S504 R509 R510 V511	P429-S507 WeakPolarHBondContact O-CB 3.36Å; Y432-S507 VanDerWaalsContact CB-OG 3.26Å; Y432-S507 WeakPolarHBondContact CB-OG 3.33Å; D433-S507 PolarHBondContact N-OG 3.28Å; D433-S507 VanDerWaalsContact OD1-CB 3.22Å; D433-S507 WeakPolarHBondContact OD1-CB 3.31Å; D433-S507 PolarHBondContact OD1-OG 3.35Å; S504-S507 PolarHBondContact O-N 3.08Å; S504-S507 WeakPolarHBondContact OG-CB 3.42Å; S504-S507 PolarHBondContact OG-N 3.01Å; S504-S507 VanDerWaalsContact OG-N 3.15Å; S504-S507 PolarHBondContact OG-OG 3.27Å; S507-R509 VanDerWaalsContact C-N 3.3Å; S507-R509 PolarHBondContact O-N 3.07Å; S507-R510 PolarHBondContact O-N 3.06Å; S507-V511 WeakPolarHBondContact O-CG2 3.46Å; S507-V511 PolarHBondContact O-N 2.97Å
508	I	90.8	Very high	84.6	Confident	61 Å²	61	76.7 Å²	76.7	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-37.9	169.6	-64.6	169.4	0	0	0	111.2	P429 P503 S504 E506 K512	P429-I508 HydrophobicContact CB-CG1 4.2Å; P429-I508 HydrophobicContact CG-CG1 4.4Å; P503-I508 HydrophobicContact CG-CD1 4.02Å; P503-I508 HydrophobicContact CG-CG1 3.94Å; S504-I508 WeakPolarHBondContact O-CG1 3.43Å; S504-I508 PolarHBondContact O-N 3.14Å; E506-I508 VanDerWaalsContact C-N 3.32Å; E506-I508 PolarHBondContact O-N 2.75Å; I508-K512 WeakPolarHBondContact O-CG 3.18Å; I508-K512 PolarHBondContact O-N 3.26Å
509	R	89	Confident	84.1	Confident	190 Å²	190	68.4 Å²	68.4	72%	0.717	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-46.8	173.5	-68.1	171.2	-175	-172.8	1.2	111.1	A505 E506 S507 V511 K512 S513	A505-R509 WeakPolarHBondContact O-CG 3.34Å; A505-R509 PolarHBondContact O-N 3.42Å; E506-R509 WeakPolarHBondContact O-CA 3.26Å; E506-R509 WeakPolarHBondContact O-CB 3.37Å; E506-R509 PolarHBondContact O-N 2.91Å; S507-R509 VanDerWaalsContact C-N 3.3Å; S507-R509 PolarHBondContact O-N 3.07Å; R509-V511 VanDerWaalsContact C-N 3.35Å; R509-V511 PolarHBondContact O-N 3.47Å; R509-K512 PolarHBondContact O-N 2.8Å; R509-K512 VanDerWaalsContact O-N 3.08Å; R509-S513 PolarHBondContact O-N 3.07Å; R509-S513 VanDerWaalsContact O-N 3.1Å; R509-S513 PolarHBondContact O-OG 3.05Å
510	R	87.3	Confident	84	Confident	80 Å²	80	68 Å²	68	30%	0.302	36%	0.364	S	S	.	.	H	α-helix	trans	-56.5	-43.7	178.1	-71	-173.5	176.6	97.8	10.2	112.8	Y432 E506 S507 S513 T514	Y432-R510 HydrophobicContact CD1-CB 4.03Å; Y432-R510 HydrophobicContact CD1-CG 4.47Å; Y432-R510 HydrophobicContact CD2-CB 4.43Å; Y432-R510 HydrophobicContact CE1-CB 3.95Å; Y432-R510 HydrophobicContact CE2-CB 4.33Å; Y432-R510 HydrophobicContact CG-CB 4.27Å; E506-R510 VanDerWaalsContact CD-CZ 3.4Å; E506-R510 PolarHBondContact O-N 3.34Å; E506-R510 IonicContact OE1-CZ 3.76Å; E506-R510 IonicContact OE1-NH1 3.07Å; E506-R510 IonicContact OE1-NH2 2.68Å; E506-R510 PolarHBondContact OE1-NH2 2.67Å; E506-R510 IonicContact OE2-CZ 3.41Å; E506-R510 IonicContact OE2-NH1 2.63Å; E506-R510 PolarHBondContact OE2-NH1 3.24Å; E506-R510 IonicContact OE2-NH2 3.36Å; E506-R510 PolarHBondContact OE2-NH2 3.11Å; S507-R510 PolarHBondContact O-N 3.06Å; R510-S513 WeakPolarHBondContact CA-OG 3.34Å; R510-S513 PolarHBondContact O-N 3.21Å; R510-S513 PolarHBondContact O-OG 3.43Å; R510-T514 PolarHBondContact O-N 3.03Å; R510-T514 VanDerWaalsContact O-N 3.16Å; R510-T514 PolarHBondContact O-OG1 3.48Å
511	V	88.3	Confident	83.9	Confident	24 Å²	24	68.1 Å²	68.1	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-41.7	175.7	172.8	0	0	0	0	111.3	M428 P429 Y432 S507 R509 S513 T514	M428-V511 HydrophobicContact CB-CG1 4.1Å; M428-V511 HydrophobicContact CB-CG2 3.85Å; P429-V511 HydrophobicContact CB-CG2 4.3Å; P429-V511 HydrophobicContact CG-CB 4.44Å; P429-V511 HydrophobicContact CG-CG2 3.96Å; Y432-V511 HydrophobicContact CD2-CG2 3.5Å; Y432-V511 VanDerWaalsContact CD2-CG2 3.5Å; Y432-V511 HydrophobicContact CE2-CG2 3.69Å; S507-V511 WeakPolarHBondContact O-CG2 3.46Å; S507-V511 PolarHBondContact O-N 2.97Å; R509-V511 VanDerWaalsContact C-N 3.35Å; R509-V511 PolarHBondContact O-N 3.47Å; V511-S513 VanDerWaalsContact C-N 3.26Å; V511-S513 PolarHBondContact O-N 3.17Å; V511-T514 WeakPolarHBondContact O-CB 3.29Å; V511-T514 PolarHBondContact O-N 2.91Å
512	K	86.5	Confident	84	Confident	174 Å²	174	66.1 Å²	66.1	76%	0.757	36%	0.355	S	S	*	.	H	α-helix	trans	-65.7	-24.4	177.3	-72.7	178.1	178.3	-173.1	0	114.1	I508 R509	I508-K512 WeakPolarHBondContact O-CG 3.18Å; I508-K512 PolarHBondContact O-N 3.26Å; R509-K512 PolarHBondContact O-N 2.8Å; R509-K512 VanDerWaalsContact O-N 3.08Å
513	S	82	Confident	83.7	Confident	92 Å²	92	59.9 Å²	59.9	64%	0.643	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.2	171.2	50.8	0	0	0	0	114.1	R509 R510 V511	R509-S513 PolarHBondContact O-N 3.07Å; R509-S513 VanDerWaalsContact O-N 3.1Å; R509-S513 PolarHBondContact O-OG 3.05Å; R510-S513 WeakPolarHBondContact CA-OG 3.34Å; R510-S513 PolarHBondContact O-N 3.21Å; R510-S513 PolarHBondContact O-OG 3.43Å; V511-S513 VanDerWaalsContact C-N 3.26Å; V511-S513 PolarHBondContact O-N 3.17Å
514	T	81.5	Confident	83.3	Confident	30 Å²	30	61.3 Å²	61.3	18%	0.184	33%	0.328	C	S	.	.			trans	-88.8	119.2	-179.2	-56.7	0	0	0	0	110.5	Y432 F444 R510 V511 V516	Y432-T514 PolarHBondContact OH-OG1 3.31Å; F444-T514 HydrophobicContact CE1-CG2 4.14Å; F444-T514 HydrophobicContact CE2-CG2 4.22Å; F444-T514 HydrophobicContact CZ-CG2 3.65Å; R510-T514 PolarHBondContact O-N 3.03Å; R510-T514 VanDerWaalsContact O-N 3.16Å; R510-T514 PolarHBondContact O-OG1 3.48Å; V511-T514 WeakPolarHBondContact O-CB 3.29Å; V511-T514 PolarHBondContact O-N 2.91Å; T514-V516 HydrophobicContact CG2-CG2 4.39Å; T514-V516 PolarHBondContact O-N 2.9Å; T514-V516 VanDerWaalsContact O-N 3.08Å
515	D	73.5	Confident	83	Confident	57 Å²	57	59.6 Å²	59.6	31%	0.305	32%	0.316	S	S	.	.			trans	-84	83	177.1	-153.3	-36.1	0	0	0	111.4	S517 I518 R585	D515-S517 PolarHBondContact O-N 2.68Å; D515-S517 VanDerWaalsContact OD1-CB 3.23Å; D515-S517 WeakPolarHBondContact OD1-CB 3.4Å; D515-S517 PolarHBondContact OD1-OG 2.99Å; D515-I518 HydrophobicContact CB-CD1 3.92Å; D515-I518 HydrophobicContact CB-CG1 4.21Å; D515-I518 PolarHBondContact O-N 3.11Å; D515-R585 IonicContact OD2-CZ 3.24Å; D515-R585 VanDerWaalsContact OD2-CZ 3.31Å; D515-R585 IonicContact OD2-NH1 2.74Å; D515-R585 PolarHBondContact OD2-NH1 2.95Å; D515-R585 IonicContact OD2-NH2 3.46Å; D515-R585 PolarHBondContact OD2-NH2 2.73Å
516	V	72.3	Confident	82	Confident	39 Å²	39	57.1 Å²	57.1	24%	0.236	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.9	-17.2	-176.2	-161	0	0	0	0	112.9	H298 M428 R459 T514 I518 M519	H298-V516 WeakPolarHBondContact NE2-CG1 3.41Å; M428-V516 HydrophobicContact CE-CG1 4.24Å; M428-V516 HydrophobicContact CE-CG2 3.92Å; M428-V516 HydrophobicContact SD-CG1 4.28Å; M428-V516 HydrophobicContact SD-CG2 4.03Å; R459-V516 PolarHBondContact NH2-O 3.33Å; T514-V516 HydrophobicContact CG2-CG2 4.39Å; T514-V516 PolarHBondContact O-N 2.9Å; T514-V516 VanDerWaalsContact O-N 3.08Å; V516-I518 PolarHBondContact O-N 2.88Å; V516-M519 HydrophobicContact CG1-CE 3.65Å; V516-M519 PolarHBondContact O-N 2.71Å
517	S	68.4	Low	80.8	Confident	74 Å²	74	55.9 Å²	55.9	52%	0.517	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-61.6	-29.2	174.1	-29.8	0	0	0	0	113.1	R459 D515	R459-S517 VanDerWaalsContact NH2-C 3.33Å; R459-S517 PolarHBondContact NH2-O 3.07Å; D515-S517 PolarHBondContact O-N 2.68Å; D515-S517 VanDerWaalsContact OD1-CB 3.23Å; D515-S517 WeakPolarHBondContact OD1-CB 3.4Å; D515-S517 PolarHBondContact OD1-OG 2.99Å
518	I	68.9	Low	79.4	Confident	126 Å²	126	59.3 Å²	59.3	65%	0.646	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-93.2	-10.3	-171.7	-50.3	179.5	0	0	0	111.9	D515 V516 A520	D515-I518 HydrophobicContact CB-CD1 3.92Å; D515-I518 HydrophobicContact CB-CG1 4.21Å; D515-I518 PolarHBondContact O-N 3.11Å; V516-I518 PolarHBondContact O-N 2.88Å; I518-A520 PolarHBondContact O-N 2.86Å
519	M	79.1	Confident	78.2	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.039	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.8	121.3	-177.6	179.5	170.9	56.1	0	0	112.1	H298 F444 F457 V516	H298-M519 HydrophobicContact CB-CE 3.3Å; H298-M519 HydrophobicContact CB-SD 4.45Å; F444-M519 HydrophobicContact CD1-CG 4.38Å; F444-M519 HydrophobicContact CD1-SD 3.78Å; F444-M519 HydrophobicContact CE1-SD 4.27Å; F457-M519 HydrophobicContact CD2-SD 4.36Å; F457-M519 HydrophobicContact CG-SD 4.35Å; V516-M519 HydrophobicContact CG1-CE 3.65Å; V516-M519 PolarHBondContact O-N 2.71Å
520	A	81.9	Confident	77.3	Confident	28 Å²	28	55 Å²	55	23%	0.231	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.4	171.1	-178.7	0	0	0	0	0	113.4	A445 R459 I518	A445-A520 HydrophobicContact CB-CB 4.25Å; A445-A520 PolarHBondContact O-N 3.04Å; R459-A520 PolarHBondContact N-O 3.21Å; I518-A520 PolarHBondContact O-N 2.86Å
521	V	84.9	Confident	76.4	Confident	29 Å²	29	59.3 Å²	59.3	18%	0.176	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-57.9	140.3	171	173.2	0	0	0	0	110.5	R459 P461 L537	R459-V521 WeakPolarHBondContact O-CA 3.33Å; P461-V521 HydrophobicContact CG-CG1 3.72Å; P461-V521 HydrophobicContact CG-CG2 4.36Å; V521-L537 HydrophobicContact CG2-CD1 4.07Å
522	H	88.2	Confident	75.7	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.3	176.1	-170.5	-82.3	0	0	0	111.4	F296 F297 V456 R459 L524 L525 G526	F296-H522 PolarHBondContact O-CD2 3.01Å; F296-H522 VanDerWaalsContact O-CD2 3.28Å; F297-H522 HydrophobicContact CD1-CB 3.89Å; F297-H522 AromaticContact CD1-CG 3.8Å; F297-H522 HydrophobicContact CE1-CB 3.87Å; F297-H522 AromaticContact CE1-CE1 3.94Å; F297-H522 AromaticContact CE1-CG 3.5Å; F297-H522 VanDerWaalsContact CE1-CG 3.5Å; F297-H522 AromaticContact CE1-ND1 3.44Å; F297-H522 WeakPolarHBondContact CE1-ND1 3.37Å; V456-H522 PolarHBondContact O-NE2 2.95Å; R459-H522 PolarHBondContact O-N 2.82Å; H522-L524 VanDerWaalsContact C-N 3.32Å; H522-L524 PolarHBondContact ND1-N 3.09Å; H522-L524 PolarHBondContact O-N 2.82Å; H522-L524 VanDerWaalsContact O-N 3.13Å; H522-L525 PolarHBondContact O-N 2.7Å; H522-G526 PolarHBondContact O-N 2.98Å
523	P	83.2	Confident	75	Confident	15 Å²	15	57 Å²	57	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-52.6	-40.6	-172.3	-31.3	36.4	0	0	0	115.6	R449 V456 L525 G526 S527	R449-P523 HydrophobicContact CB-CG 4.19Å; V456-P523 HydrophobicContact CG1-CG 4.45Å; P523-L525 PolarHBondContact O-N 3.36Å; P523-G526 PolarHBondContact O-N 2.74Å; P523-S527 PolarHBondContact O-N 3.25Å; P523-S527 PolarHBondContact O-OG 3.24Å
524	L	84	Confident	74.4	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-25.4	177.1	-64.1	179.1	0	0	0	114.7	S295 Y420 Q451 H522 S527	S295-L524 WeakPolarHBondContact OG-CD1 3.27Å; Y420-L524 HydrophobicContact CE1-CD1 4.05Å; Q451-L524 HydrophobicContact CB-CD2 4.48Å; H522-L524 VanDerWaalsContact C-N 3.32Å; H522-L524 PolarHBondContact ND1-N 3.09Å; H522-L524 PolarHBondContact O-N 2.82Å; H522-L524 VanDerWaalsContact O-N 3.13Å; L524-S527 PolarHBondContact O-OG 3.39Å
525	L	83.3	Confident	74.1	Confident	5 Å²	5	60 Å²	60	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-96.8	-37.3	178.1	-58.9	177.1	0	0	0	110.9	F297 L307 V315 V460 P461 I464 H522 P523 S527 G528	F297-L525 HydrophobicContact CD1-CD1 3.8Å; F297-L525 HydrophobicContact CD1-CG 4.48Å; F297-L525 HydrophobicContact CE1-CD1 3.68Å; F297-L525 HydrophobicContact CE1-CD2 4.49Å; F297-L525 HydrophobicContact CE1-CG 3.87Å; L307-L525 HydrophobicContact CD1-CD1 4.36Å; V315-L525 HydrophobicContact CG2-CD2 4.42Å; V460-L525 HydrophobicContact CB-CD1 4.39Å; V460-L525 HydrophobicContact CG1-CD1 3.99Å; V460-L525 HydrophobicContact CG2-CD1 4.33Å; P461-L525 HydrophobicContact CG-CB 4.24Å; I464-L525 HydrophobicContact CD1-CB 4.2Å; I464-L525 HydrophobicContact CD1-CD2 4.43Å; H522-L525 PolarHBondContact O-N 2.7Å; P523-L525 PolarHBondContact O-N 3.36Å; L525-S527 PolarHBondContact O-N 3.39Å; L525-G528 PolarHBondContact O-N 2.84Å
526	G	69.8	Low	74.3	Confident	18 Å²	18	63.5 Å²	63.5	19%	0.186	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-28.1	179.1	0	0	0	0	0	114.1	H522 P523 G528 L529	H522-G526 PolarHBondContact O-N 2.98Å; P523-G526 PolarHBondContact O-N 2.74Å; G526-G528 VanDerWaalsContact C-N 3.26Å; G526-G528 PolarHBondContact O-N 3.19Å; G526-L529 PolarHBondContact O-N 2.85Å
527	S	63.6	Low	74.4	Confident	68 Å²	68	62.9 Å²	62.9	48%	0.476	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.8	177.2	52.6	0	0	0	0	115.3	Q451 P523 L524 L525	Q451-S527 PolarHBondContact NE2-OG 3.31Å; P523-S527 PolarHBondContact O-N 3.25Å; P523-S527 PolarHBondContact O-OG 3.24Å; L524-S527 PolarHBondContact O-OG 3.39Å; L525-S527 PolarHBondContact O-N 3.39Å
528	G	60.3	Low	74.7	Confident	72 Å²	72	64.6 Å²	64.6	74%	0.742	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.8	174.4	0	0	0	0	0	114	L525 G526	L525-G528 PolarHBondContact O-N 2.84Å; G526-G528 VanDerWaalsContact C-N 3.26Å; G526-G528 PolarHBondContact O-N 3.19Å
529	L	66.4	Low	75.2	Confident	29 Å²	29	63.8 Å²	63.8	15%	0.152	34%	0.341	C	S	.	.	S	Bend	trans	-89.6	151.3	-178	-52.2	-178.4	0	0	0	111.4	P461 I464 G526 L537	P461-L529 HydrophobicContact CB-CD1 4.09Å; P461-L529 HydrophobicContact CB-CD2 4.44Å; P461-L529 HydrophobicContact CG-CD1 3.79Å; P461-L529 HydrophobicContact CG-CD2 4.41Å; I464-L529 HydrophobicContact CD1-CD2 4.15Å; I464-L529 HydrophobicContact CG1-CD2 4.41Å; G526-L529 PolarHBondContact O-N 2.85Å; L529-L537 HydrophobicContact CD1-CD1 3.9Å
530	E	69.7	Low	75.2	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	35%	0.353	S	S	*	.			trans	-65.8	149.9	167.2	-66.5	-163.6	172.9	0	0	111.7	N532 E533 L534	E530-N532 HydrophobicContact CB-CB 4.49Å; E530-N532 PolarHBondContact O-N 3.33Å; E530-N532 PolarHBondContact OE2-ND2 3.4Å; E530-E533 PolarHBondContact O-N 3.34Å; E530-L534 PolarHBondContact O-N 3.47Å
531	K	69.5	Low	74.7	Confident	170 Å²	170	66.3 Å²	66.3	74%	0.739	35%	0.352	S	S	*	.	H	α-helix	trans	-55.1	-42.1	174	-65.2	-177.1	179.2	-179.5	0	111.9	E533 L534 E535	K531-E533 PolarHBondContact O-N 3Å; K531-L534 PolarHBondContact O-N 3.26Å; K531-L534 VanDerWaalsContact O-N 3.12Å; K531-E535 WeakPolarHBondContact O-CG 3.39Å; K531-E535 PolarHBondContact O-N 3.43Å
532	N	71.9	Confident	74.3	Confident	108 Å²	108	67.5 Å²	67.5	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-53.9	-40.1	175	-55.3	-37.7	0	0	0	112.2	E530 R536	E530-N532 HydrophobicContact CB-CB 4.49Å; E530-N532 PolarHBondContact O-N 3.33Å; E530-N532 PolarHBondContact OE2-ND2 3.4Å; N532-R536 WeakPolarHBondContact O-CB 3.43Å; N532-R536 PolarHBondContact O-N 2.77Å
533	E	72.5	Confident	74	Confident	41 Å²	41	72.6 Å²	72.6	19%	0.192	39%	0.391	C	S	.	.	H	α-helix	trans	-76.6	-37.1	178.6	-179.1	164.2	-143.8	0	0	112.1	S463 E530 K531 E535 R536 L537	S463-E533 WeakPolarHBondContact CB-OE1 3.4Å; S463-E533 PolarHBondContact OG-OE1 2.76Å; S463-E533 PolarHBondContact OG-OE2 2.93Å; E530-E533 PolarHBondContact O-N 3.34Å; K531-E533 PolarHBondContact O-N 3Å; E533-E535 VanDerWaalsContact C-N 3.29Å; E533-E535 PolarHBondContact O-N 2.8Å; E533-R536 WeakPolarHBondContact O-CB 3.46Å; E533-R536 PolarHBondContact O-N 2.86Å; E533-R536 IonicContact OE1-CZ 3.41Å; E533-R536 IonicContact OE1-NE 3.6Å; E533-R536 IonicContact OE1-NH2 2.64Å; E533-R536 PolarHBondContact OE1-NH2 2.84Å; E533-L537 HydrophobicContact CG-CD1 4.18Å; E533-L537 HydrophobicContact CG-CG 4.29Å; E533-L537 WeakPolarHBondContact O-CG 3.2Å; E533-L537 PolarHBondContact O-N 3.04Å
534	L	69.9	Low	73.5	Confident	65 Å²	65	78.2 Å²	78.2	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-41	175	-160.1	72.5	0	0	0	111.1	E530 K531 L537 Q538	E530-L534 PolarHBondContact O-N 3.47Å; K531-L534 PolarHBondContact O-N 3.26Å; K531-L534 VanDerWaalsContact O-N 3.12Å; L534-L537 PolarHBondContact O-N 3.02Å; L534-Q538 WeakPolarHBondContact O-CG 3.23Å; L534-Q538 PolarHBondContact O-N 2.91Å
535	E	75.4	Confident	72.9	Confident	122 Å²	122	79.7 Å²	79.7	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-63.8	-44.1	171.8	-70.8	171.9	-155	0	0	112	K531 E533 L537 Q538 L539	K531-E535 WeakPolarHBondContact O-CG 3.39Å; K531-E535 PolarHBondContact O-N 3.43Å; E533-E535 VanDerWaalsContact C-N 3.29Å; E533-E535 PolarHBondContact O-N 2.8Å; E535-L537 VanDerWaalsContact C-N 3.32Å; E535-L537 PolarHBondContact O-N 2.96Å; E535-Q538 PolarHBondContact O-N 3.11Å; E535-L539 PolarHBondContact O-N 3.15Å
536	R	77.9	Confident	72.6	Confident	129 Å²	129	87.4 Å²	87.4	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-57.5	-42.4	173.8	-173.3	-174.4	74	103.6	-7.4	112.1	N532 E533 L539 V540	N532-R536 WeakPolarHBondContact O-CB 3.43Å; N532-R536 PolarHBondContact O-N 2.77Å; E533-R536 WeakPolarHBondContact O-CB 3.46Å; E533-R536 PolarHBondContact O-N 2.86Å; E533-R536 IonicContact OE1-CZ 3.41Å; E533-R536 IonicContact OE1-NE 3.6Å; E533-R536 IonicContact OE1-NH2 2.64Å; E533-R536 PolarHBondContact OE1-NH2 2.84Å; R536-L539 PolarHBondContact O-N 2.94Å; R536-V540 WeakPolarHBondContact O-CB 3.48Å; R536-V540 VanDerWaalsContact O-CG2 3.31Å; R536-V540 WeakPolarHBondContact O-CG2 3.46Å; R536-V540 PolarHBondContact O-N 2.81Å
537	L	73.9	Confident	72.8	Confident	27 Å²	27	95.1 Å²	95.1	14%	0.141	49%	0.487	C	S	.	.	H	α-helix	trans	-68.1	-40	178.2	-71.2	171.8	0	0	0	111.8	P461 V521 L529 E533 L534 E535 V540 D541	P461-L537 HydrophobicContact CB-CD1 4.48Å; V521-L537 HydrophobicContact CG2-CD1 4.07Å; L529-L537 HydrophobicContact CD1-CD1 3.9Å; E533-L537 HydrophobicContact CG-CD1 4.18Å; E533-L537 HydrophobicContact CG-CG 4.29Å; E533-L537 WeakPolarHBondContact O-CG 3.2Å; E533-L537 PolarHBondContact O-N 3.04Å; L534-L537 PolarHBondContact O-N 3.02Å; E535-L537 VanDerWaalsContact C-N 3.32Å; E535-L537 PolarHBondContact O-N 2.96Å; L537-V540 PolarHBondContact O-N 3.14Å; L537-D541 PolarHBondContact O-N 3.28Å
538	Q	74.1	Confident	73.4	Confident	110 Å²	110	94.6 Å²	94.6	51%	0.514	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-44.1	172.9	-71	174.8	25.2	0	0	111.7	L534 E535 V540 D541 A542	L534-Q538 WeakPolarHBondContact O-CG 3.23Å; L534-Q538 PolarHBondContact O-N 2.91Å; E535-Q538 PolarHBondContact O-N 3.11Å; Q538-V540 PolarHBondContact O-N 3.19Å; Q538-D541 PolarHBondContact O-N 3.29Å; Q538-A542 WeakPolarHBondContact O-CB 3.44Å; Q538-A542 PolarHBondContact O-N 2.8Å
539	L	79.3	Confident	74.1	Confident	109 Å²	109	99.9 Å²	99.9	57%	0.571	49%	0.486	S	S	*	.	H	α-helix	trans	-61.6	-41.9	175.2	-180	63	0	0	0	111.8	E535 R536 A542 I543	E535-L539 PolarHBondContact O-N 3.15Å; R536-L539 PolarHBondContact O-N 2.94Å; L539-A542 WeakPolarHBondContact O-CB 3.41Å; L539-A542 PolarHBondContact O-N 3.02Å; L539-I543 HydrophobicContact CD1-CD1 4.38Å; L539-I543 HydrophobicContact CG-CD1 4.1Å; L539-I543 VanDerWaalsContact O-CG1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.39Å; L539-I543 PolarHBondContact O-N 3.4Å
540	V	79	Confident	74.6	Confident	50 Å²	50	100.9 Å²	100.9	30%	0.303	50%	0.495	S	S	.	.	H	α-helix	trans	-64.1	-39.4	176.9	163.5	0	0	0	0	111.9	R536 L537 Q538 I543 K544	R536-V540 WeakPolarHBondContact O-CB 3.48Å; R536-V540 VanDerWaalsContact O-CG2 3.31Å; R536-V540 WeakPolarHBondContact O-CG2 3.46Å; R536-V540 PolarHBondContact O-N 2.81Å; L537-V540 PolarHBondContact O-N 3.14Å; Q538-V540 PolarHBondContact O-N 3.19Å; V540-I543 PolarHBondContact O-N 2.97Å; V540-K544 HydrophobicContact CG1-CD 4.42Å; V540-K544 VanDerWaalsContact CG1-CE 3.44Å; V540-K544 WeakPolarHBondContact O-CG 3.25Å; V540-K544 PolarHBondContact O-N 3.26Å
541	D	72.4	Confident	74.9	Confident	39 Å²	39	96.6 Å²	96.6	21%	0.209	48%	0.478	C	S	.	.	H	α-helix	trans	-75	-29	175.9	-78.7	-6.3	0	0	0	112.8	R459 L537 Q538 K544 S545	R459-D541 IonicContact CZ-OD2 2.68Å; R459-D541 VanDerWaalsContact NH1-CG 3.28Å; R459-D541 IonicContact NH1-OD1 2.73Å; R459-D541 PolarHBondContact NH1-OD1 3.4Å; R459-D541 VanDerWaalsContact NH1-OD1 3.07Å; R459-D541 IonicContact NH1-OD2 2.89Å; R459-D541 PolarHBondContact NH1-OD2 2.87Å; R459-D541 IonicContact NH2-OD2 2.64Å; L537-D541 PolarHBondContact O-N 3.28Å; Q538-D541 PolarHBondContact O-N 3.29Å; D541-K544 PolarHBondContact O-N 2.85Å; D541-K544 WeakPolarHBondContact OD1-CD 3.36Å; D541-K544 IonicContact OD1-NZ 3.19Å; D541-K544 PolarHBondContact OD1-NZ 3.49Å; D541-S545 WeakPolarHBondContact O-CB 3.31Å; D541-S545 PolarHBondContact O-N 3.29Å; D541-S545 PolarHBondContact O-OG 3.11Å
542	A	76.6	Confident	75.4	Confident	53 Å²	53	95.1 Å²	95.1	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-41.7	166.4	0	0	0	0	0	111.5	Q538 L539 S545 Y546	Q538-A542 WeakPolarHBondContact O-CB 3.44Å; Q538-A542 PolarHBondContact O-N 2.8Å; L539-A542 WeakPolarHBondContact O-CB 3.41Å; L539-A542 PolarHBondContact O-N 3.02Å; A542-S545 WeakPolarHBondContact CA-OG 3.35Å; A542-S545 PolarHBondContact O-N 3.27Å; A542-S545 PolarHBondContact O-OG 3.04Å; A542-Y546 WeakPolarHBondContact O-CB 3.32Å; A542-Y546 PolarHBondContact O-N 3.1Å
543	I	80.9	Confident	75.6	Confident	112 Å²	112	95.5 Å²	95.5	57%	0.574	47%	0.473	S	S	*	.	H	α-helix	trans	-66.8	-42.1	175.4	-68.8	163.2	0	0	0	111.5	L539 V540 S545 Y546	L539-I543 HydrophobicContact CD1-CD1 4.38Å; L539-I543 HydrophobicContact CG-CD1 4.1Å; L539-I543 VanDerWaalsContact O-CG1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.39Å; L539-I543 PolarHBondContact O-N 3.4Å; V540-I543 PolarHBondContact O-N 2.97Å; I543-S545 VanDerWaalsContact C-N 3.34Å; I543-S545 PolarHBondContact O-N 3.47Å; I543-Y546 WeakPolarHBondContact O-CB 3.23Å; I543-Y546 PolarHBondContact O-N 2.78Å
544	K	73.1	Confident	75.7	Confident	133 Å²	133	94.6 Å²	94.6	58%	0.578	47%	0.469	S	S	*	.	H	α-helix	trans	-65.5	-34.2	176.4	-70.9	171.7	-162.3	153.6	0	113.3	V540 D541	V540-K544 HydrophobicContact CG1-CD 4.42Å; V540-K544 VanDerWaalsContact CG1-CE 3.44Å; V540-K544 WeakPolarHBondContact O-CG 3.25Å; V540-K544 PolarHBondContact O-N 3.26Å; D541-K544 PolarHBondContact O-N 2.85Å; D541-K544 WeakPolarHBondContact OD1-CD 3.36Å; D541-K544 IonicContact OD1-NZ 3.19Å; D541-K544 PolarHBondContact OD1-NZ 3.49Å
545	S	70.9	Confident	75.8	Confident	81 Å²	81	95.4 Å²	95.4	57%	0.566	47%	0.473	S	S	*	.	H	α-helix	trans	-83.9	-17.6	178.2	57	0	0	0	0	113.1	D541 A542 I543 K547	D541-S545 WeakPolarHBondContact O-CB 3.31Å; D541-S545 PolarHBondContact O-N 3.29Å; D541-S545 PolarHBondContact O-OG 3.11Å; A542-S545 WeakPolarHBondContact CA-OG 3.35Å; A542-S545 PolarHBondContact O-N 3.27Å; A542-S545 PolarHBondContact O-OG 3.04Å; I543-S545 VanDerWaalsContact C-N 3.34Å; I543-S545 PolarHBondContact O-N 3.47Å; S545-K547 PolarHBondContact O-N 2.94Å
546	Y	78.4	Confident	75.3	Confident	168 Å²	168	97 Å²	97	66%	0.659	49%	0.485	S	S	*	.			trans	-63.2	115.7	175.8	-178.3	-102.3	0	0	0	112.1	A542 I543	A542-Y546 WeakPolarHBondContact O-CB 3.32Å; A542-Y546 PolarHBondContact O-N 3.1Å; I543-Y546 WeakPolarHBondContact O-CB 3.23Å; I543-Y546 PolarHBondContact O-N 2.78Å
547	K	73.4	Confident	74.6	Confident	180 Å²	180	92.1 Å²	92.1	78%	0.783	47%	0.471	S	S	*	.			trans	-110.5	117.3	169.2	-67.6	179	-177.2	175	0	108.9	S545 K549	S545-K547 PolarHBondContact O-N 2.94Å; K547-K549 PolarHBondContact O-N 3.26Å
548	S	76.2	Confident	74.1	Confident	56 Å²	56	99.1 Å²	99.1	39%	0.392	51%	0.509	S	S	.	.			trans	-54.8	129.4	175	-177.9	0	0	0	0	110.6	S550	S548-S550 VanDerWaalsContact C-N 3.35Å; S548-S550 WeakPolarHBondContact CB-O 3.28Å; S548-S550 PolarHBondContact OG-N 3.45Å; S548-S550 PolarHBondContact OG-O 3.02Å; S548-S550 PolarHBondContact OG-OG 2.86Å
549	K	74.1	Confident	73.5	Confident	183 Å²	183	97.7 Å²	97.7	80%	0.796	51%	0.511	S	S	*	.	S	Bend	trans	-71	-34.4	175.1	-68.1	176.1	-178.8	172.2	0	110.8	K547 R571	K547-K549 PolarHBondContact O-N 3.26Å; K549-R571 PolarHBondContact O-NE 3.42Å; K549-R571 PolarHBondContact O-NH2 3.49Å
550	S	76.9	Confident	73.1	Confident	50 Å²	50	101.9 Å²	101.9	35%	0.35	53%	0.525	S	S	.	.	S	Bend	trans	-84.1	145.5	172.6	45.6	0	0	0	0	111.8	S548	S548-S550 VanDerWaalsContact C-N 3.35Å; S548-S550 WeakPolarHBondContact CB-O 3.28Å; S548-S550 PolarHBondContact OG-N 3.45Å; S548-S550 PolarHBondContact OG-O 3.02Å; S548-S550 PolarHBondContact OG-OG 2.86Å
551	T	77.5	Confident	73.1	Confident	42 Å²	42	101.8 Å²	101.8	26%	0.258	52%	0.524	S	S	.	.			trans	-96.5	166.6	175.8	64.5	0	0	0	0	111.1	F553 E554 I555 M567	T551-F553 PolarHBondContact O-N 3.11Å; T551-E554 WeakPolarHBondContact CB-OE2 3.44Å; T551-E554 PolarHBondContact N-OE2 2.67Å; T551-E554 PolarHBondContact O-N 3.44Å; T551-E554 PolarHBondContact OG1-OE2 3Å; T551-I555 WeakPolarHBondContact O-CG1 3.46Å; T551-I555 PolarHBondContact O-N 3.42Å; T551-I555 VanDerWaalsContact O-N 3.09Å; T551-M567 HydrophobicContact CG2-CE 3.73Å
552	I	79.4	Confident	73.5	Confident	139 Å²	139	105 Å²	105	71%	0.713	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.9	-178.1	-164.8	166.4	0	0	0	113.8	E554	I552-E554 VanDerWaalsContact C-N 3.27Å; I552-E554 PolarHBondContact O-N 3.3Å
553	F	76.8	Confident	73.7	Confident	116 Å²	116	104.5 Å²	104.5	51%	0.509	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.9	176.2	-56.5	-69.4	0	0	0	114.5	T551 A563 S564 M567	T551-F553 PolarHBondContact O-N 3.11Å; F553-A563 HydrophobicContact CB-CB 4.19Å; F553-A563 HydrophobicContact CD1-CB 4.15Å; F553-A563 HydrophobicContact CG-CB 4.29Å; F553-S564 VanDerWaalsContact O-CB 3.31Å; F553-S564 WeakPolarHBondContact O-CB 3.44Å; F553-S564 PolarHBondContact O-OG 2.93Å; F553-M567 HydrophobicContact CB-CG 4.23Å; F553-M567 HydrophobicContact CD2-CG 4.02Å
554	E	74.4	Confident	73.7	Confident	23 Å²	23	99.2 Å²	99.2	11%	0.107	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-17.4	-180	-60.7	156.9	125.2	0	0	112.5	T551 I552 S557 M567 R568 R571	T551-E554 WeakPolarHBondContact CB-OE2 3.44Å; T551-E554 PolarHBondContact N-OE2 2.67Å; T551-E554 PolarHBondContact O-N 3.44Å; T551-E554 PolarHBondContact OG1-OE2 3Å; I552-E554 VanDerWaalsContact C-N 3.27Å; I552-E554 PolarHBondContact O-N 3.3Å; E554-S557 WeakPolarHBondContact CA-OG 3.3Å; E554-S557 PolarHBondContact O-OG 3.13Å; E554-M567 HydrophobicContact CG-CB 4.36Å; E554-R568 WeakPolarHBondContact OE1-CG 3.38Å; E554-R571 IonicContact OE1-CZ 2.74Å; E554-R571 IonicContact OE1-NH1 2.75Å; E554-R571 PolarHBondContact OE1-NH1 3.27Å; E554-R571 IonicContact OE1-NH2 3.12Å; E554-R571 PolarHBondContact OE1-NH2 2.9Å; E554-R571 IonicContact OE2-CZ 3.37Å; E554-R571 IonicContact OE2-NH1 3.53Å; E554-R571 IonicContact OE2-NH2 3.56Å; E554-R571 PolarHBondContact OE2-NH2 2.92Å
555	I	71.1	Confident	74.1	Confident	82 Å²	82	97.1 Å²	97.1	42%	0.421	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	131.2	171.5	-65.8	165.9	0	0	0	107.7	T551 S557	T551-I555 WeakPolarHBondContact O-CG1 3.46Å; T551-I555 PolarHBondContact O-N 3.42Å; T551-I555 VanDerWaalsContact O-N 3.09Å; I555-S557 PolarHBondContact O-N 3.44Å; I555-S557 VanDerWaalsContact O-N 3.07Å
556	N	65.9	Low	74.7	Confident	154 Å²	154	97.7 Å²	97.7	82%	0.824	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	9.9	-175.9	-56.2	-9.5	0	0	0	115.9	N558	N556-N558 PolarHBondContact O-N 3.31Å
557	S	61.8	Low	75	Confident	27 Å²	27	92.1 Å²	92.1	19%	0.189	49%	0.488	C	S	.	.			trans	-80.5	82.4	176.7	77.4	0	0	0	0	111.6	E554 I555 S559 S564	E554-S557 WeakPolarHBondContact CA-OG 3.3Å; E554-S557 PolarHBondContact O-OG 3.13Å; I555-S557 PolarHBondContact O-N 3.44Å; I555-S557 VanDerWaalsContact O-N 3.07Å; S557-S559 PolarHBondContact O-N 2.68Å; S557-S564 PolarHBondContact OG-OG 3.11Å
558	N	65	Low	75.4	Confident	175 Å²	175	90 Å²	90	94%	0.936	48%	0.476	S	S	*	.			trans	-66.3	-17.8	172.6	-79.5	5.3	0	0	0	113	N556	N556-N558 PolarHBondContact O-N 3.31Å
559	S	61.7	Low	75.8	Confident	79 Å²	79	93.8 Å²	93.8	55%	0.552	49%	0.485	S	S	*	.	S	Bend	trans	-106.8	153.4	175.4	59.9	0	0	0	0	112.2	S557 T561	S557-S559 PolarHBondContact O-N 2.68Å; S559-T561 PolarHBondContact O-N 3.07Å
560	K	69.3	Low	76.2	Confident	198 Å²	198	90.7 Å²	90.7	86%	0.861	47%	0.471	S	S	*	.			trans	-72.9	70.8	173.2	-63.6	178.4	-176.4	173.8	0	110.5
561	T	79.9	Confident	76.4	Confident	48 Å²	48	92.2 Å²	92.2	29%	0.294	47%	0.469	S	S	.	.			trans	-65.8	144.5	173.5	70.2	0	0	0	0	109.7	S559 A563 S564 E565	S559-T561 PolarHBondContact O-N 3.07Å; T561-A563 PolarHBondContact O-N 3.41Å; T561-S564 WeakPolarHBondContact O-CB 3.23Å; T561-S564 PolarHBondContact O-N 3.23Å; T561-S564 VanDerWaalsContact OG1-CB 3.26Å; T561-S564 WeakPolarHBondContact OG1-CB 3.16Å; T561-S564 PolarHBondContact OG1-N 3.48Å; T561-S564 VanDerWaalsContact OG1-N 3.13Å; T561-E565 PolarHBondContact O-N 3.24Å
562	P	80.4	Confident	76.7	Confident	107 Å²	107	94.5 Å²	94.5	70%	0.695	49%	0.487	S	S	*	.	H	α-helix	trans	-60.8	-30.5	179.3	22.8	-32.9	0	0	0	111.9	E565 V566	P562-E565 PolarHBondContact O-N 3.45Å; P562-V566 WeakPolarHBondContact O-CB 3.35Å; P562-V566 VanDerWaalsContact O-CG2 3.29Å; P562-V566 WeakPolarHBondContact O-CG2 3.4Å; P562-V566 PolarHBondContact O-N 3.1Å
563	A	80.1	Confident	77	Confident	41 Å²	41	95.7 Å²	95.7	34%	0.339	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-46.6	171.5	0	0	0	0	0	112.5	F553 T561 E565 V566 M567	F553-A563 HydrophobicContact CB-CB 4.19Å; F553-A563 HydrophobicContact CD1-CB 4.15Å; F553-A563 HydrophobicContact CG-CB 4.29Å; T561-A563 PolarHBondContact O-N 3.41Å; A563-E565 VanDerWaalsContact C-N 3.31Å; A563-E565 PolarHBondContact O-N 3.02Å; A563-V566 PolarHBondContact O-N 2.9Å; A563-M567 VanDerWaalsContact O-CG 3.3Å; A563-M567 WeakPolarHBondContact O-CG 3.27Å; A563-M567 PolarHBondContact O-N 2.64Å
564	S	80.7	Confident	77.4	Confident	1 Å²	1	93.1 Å²	93.1	1%	0.007	48%	0.478	C	S	.	.	H	α-helix	trans	-59.4	-42.6	175.9	-164.9	0	0	0	0	110.9	F553 S557 T561 M567 R568	F553-S564 VanDerWaalsContact O-CB 3.31Å; F553-S564 WeakPolarHBondContact O-CB 3.44Å; F553-S564 PolarHBondContact O-OG 2.93Å; S557-S564 PolarHBondContact OG-OG 3.11Å; T561-S564 WeakPolarHBondContact O-CB 3.23Å; T561-S564 PolarHBondContact O-N 3.23Å; T561-S564 VanDerWaalsContact OG1-CB 3.26Å; T561-S564 WeakPolarHBondContact OG1-CB 3.16Å; T561-S564 PolarHBondContact OG1-N 3.48Å; T561-S564 VanDerWaalsContact OG1-N 3.13Å; S564-M567 PolarHBondContact O-N 2.91Å; S564-R568 WeakPolarHBondContact O-CB 3.27Å; S564-R568 WeakPolarHBondContact O-CG 3.22Å; S564-R568 PolarHBondContact O-N 3.05Å; S564-R568 PolarHBondContact OG-NE 2.9Å; S564-R568 PolarHBondContact OG-NH2 3.12Å
565	E	81.4	Confident	77.8	Confident	90 Å²	90	97.7 Å²	97.7	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-67.7	-43.3	178	-163.9	-175.2	134.1	0	0	113	T561 P562 A563 M567 R568 K569	T561-E565 PolarHBondContact O-N 3.24Å; P562-E565 PolarHBondContact O-N 3.45Å; A563-E565 VanDerWaalsContact C-N 3.31Å; A563-E565 PolarHBondContact O-N 3.02Å; E565-M567 VanDerWaalsContact C-N 3.33Å; E565-M567 PolarHBondContact O-N 2.97Å; E565-R568 PolarHBondContact O-N 2.83Å; E565-K569 HydrophobicContact CG-CD 4.27Å; E565-K569 WeakPolarHBondContact O-CB 3.44Å; E565-K569 WeakPolarHBondContact O-CG 3.46Å; E565-K569 PolarHBondContact O-N 3.05Å; E565-K569 WeakPolarHBondContact OE1-CE 3.07Å; E565-K569 IonicContact OE1-NZ 3.78Å; E565-K569 PolarHBondContact OE1-NZ 3.09Å
566	V	84.7	Confident	78.3	Confident	92 Å²	92	101.3 Å²	101.3	56%	0.558	51%	0.513	S	S	*	.	H	α-helix	trans	-60.5	-42.4	175.3	166.7	0	0	0	0	111	P562 A563 K569 K570	P562-V566 WeakPolarHBondContact O-CB 3.35Å; P562-V566 VanDerWaalsContact O-CG2 3.29Å; P562-V566 WeakPolarHBondContact O-CG2 3.4Å; P562-V566 PolarHBondContact O-N 3.1Å; A563-V566 PolarHBondContact O-N 2.9Å; V566-K569 PolarHBondContact O-N 2.85Å; V566-K570 VanDerWaalsContact O-CB 3.27Å; V566-K570 WeakPolarHBondContact O-CB 3.3Å; V566-K570 PolarHBondContact O-N 2.91Å
567	M	84.6	Confident	79.3	Confident	51 Å²	51	98.9 Å²	98.9	25%	0.251	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-37	177.8	-66.4	-54.7	-69.9	0	0	112.6	T551 F553 E554 A563 S564 E565 R571	T551-M567 HydrophobicContact CG2-CE 3.73Å; F553-M567 HydrophobicContact CB-CG 4.23Å; F553-M567 HydrophobicContact CD2-CG 4.02Å; E554-M567 HydrophobicContact CG-CB 4.36Å; A563-M567 VanDerWaalsContact O-CG 3.3Å; A563-M567 WeakPolarHBondContact O-CG 3.27Å; A563-M567 PolarHBondContact O-N 2.64Å; S564-M567 PolarHBondContact O-N 2.91Å; E565-M567 VanDerWaalsContact C-N 3.33Å; E565-M567 PolarHBondContact O-N 2.97Å; M567-R571 WeakPolarHBondContact O-CB 3.31Å; M567-R571 PolarHBondContact O-N 3.21Å
568	R	80.8	Confident	80.2	Confident	137 Å²	137	101.1 Å²	101.1	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-48.6	171.8	-70.2	171	-162.2	-143	2	111.9	E554 S564 E565 R571 S572	E554-R568 WeakPolarHBondContact OE1-CG 3.38Å; S564-R568 WeakPolarHBondContact O-CB 3.27Å; S564-R568 WeakPolarHBondContact O-CG 3.22Å; S564-R568 PolarHBondContact O-N 3.05Å; S564-R568 PolarHBondContact OG-NE 2.9Å; S564-R568 PolarHBondContact OG-NH2 3.12Å; E565-R568 PolarHBondContact O-N 2.83Å; R568-R571 PolarHBondContact O-N 3.38Å; R568-S572 PolarHBondContact O-N 3.08Å
569	K	84.6	Confident	81.1	Confident	134 Å²	134	96 Å²	96	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-60.4	-45.1	176.6	-78.5	174.4	167.9	170.3	0	111.4	E565 V566 S572 K573	E565-K569 HydrophobicContact CG-CD 4.27Å; E565-K569 WeakPolarHBondContact O-CB 3.44Å; E565-K569 WeakPolarHBondContact O-CG 3.46Å; E565-K569 PolarHBondContact O-N 3.05Å; E565-K569 WeakPolarHBondContact OE1-CE 3.07Å; E565-K569 IonicContact OE1-NZ 3.78Å; E565-K569 PolarHBondContact OE1-NZ 3.09Å; V566-K569 PolarHBondContact O-N 2.85Å; K569-S572 PolarHBondContact O-N 3.32Å; K569-K573 PolarHBondContact O-N 3.1Å; K569-K573 VanDerWaalsContact O-N 3.14Å
570	K	84.3	Confident	82.2	Confident	118 Å²	118	98.7 Å²	98.7	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-49.8	176	-178	166.6	-178.4	174.8	0	111.8	V566 S572 K573 D574	V566-K570 VanDerWaalsContact O-CB 3.27Å; V566-K570 WeakPolarHBondContact O-CB 3.3Å; V566-K570 PolarHBondContact O-N 2.91Å; K570-S572 VanDerWaalsContact C-N 3.28Å; K570-S572 PolarHBondContact O-N 2.78Å; K570-K573 PolarHBondContact O-N 3.26Å; K570-K573 VanDerWaalsContact O-N 3.14Å; K570-D574 WeakPolarHBondContact CE-OD2 3.49Å; K570-D574 WeakPolarHBondContact CG-OD2 3.45Å; K570-D574 WeakPolarHBondContact O-CB 3.27Å; K570-D574 VanDerWaalsContact O-CG 3.3Å; K570-D574 PolarHBondContact O-N 3.25Å
571	R	80.8	Confident	82.8	Confident	83 Å²	83	95.1 Å²	95.1	31%	0.313	48%	0.475	S	S	.	.	H	α-helix	trans	-57	-42	174.7	-173.7	-168.6	-63.5	86.9	7.9	111.6	K549 E554 M567 R568 K573 D574 K575	K549-R571 PolarHBondContact O-NE 3.42Å; K549-R571 PolarHBondContact O-NH2 3.49Å; E554-R571 IonicContact OE1-CZ 2.74Å; E554-R571 IonicContact OE1-NH1 2.75Å; E554-R571 PolarHBondContact OE1-NH1 3.27Å; E554-R571 IonicContact OE1-NH2 3.12Å; E554-R571 PolarHBondContact OE1-NH2 2.9Å; E554-R571 IonicContact OE2-CZ 3.37Å; E554-R571 IonicContact OE2-NH1 3.53Å; E554-R571 IonicContact OE2-NH2 3.56Å; E554-R571 PolarHBondContact OE2-NH2 2.92Å; M567-R571 WeakPolarHBondContact O-CB 3.31Å; M567-R571 PolarHBondContact O-N 3.21Å; R568-R571 PolarHBondContact O-N 3.38Å; R571-K573 VanDerWaalsContact C-N 3.26Å; R571-K573 PolarHBondContact O-N 3.31Å; R571-D574 PolarHBondContact O-N 3.43Å; R571-K575 WeakPolarHBondContact O-CA 3.39Å; R571-K575 WeakPolarHBondContact O-CB 3.37Å; R571-K575 PolarHBondContact O-N 2.82Å
572	S	82.6	Confident	82.7	Confident	89 Å²	89	95.9 Å²	95.9	62%	0.622	48%	0.477	S	S	*	.	H	α-helix	trans	-62.1	-34.3	-179.8	-164.2	0	0	0	0	112.9	R568 K569 K570	R568-S572 PolarHBondContact O-N 3.08Å; K569-S572 PolarHBondContact O-N 3.32Å; K570-S572 VanDerWaalsContact C-N 3.28Å; K570-S572 PolarHBondContact O-N 2.78Å
573	K	85.7	Confident	82.7	Confident	165 Å²	165	98.9 Å²	98.9	72%	0.717	48%	0.475	S	S	*	.	H	α-helix	trans	-74.8	-51.2	173.6	-174.5	179.3	-178.8	178.8	0	111.5	K569 K570 R571 K575	K569-K573 PolarHBondContact O-N 3.1Å; K569-K573 VanDerWaalsContact O-N 3.14Å; K570-K573 PolarHBondContact O-N 3.26Å; K570-K573 VanDerWaalsContact O-N 3.14Å; R571-K573 VanDerWaalsContact C-N 3.26Å; R571-K573 PolarHBondContact O-N 3.31Å; K573-K575 VanDerWaalsContact C-N 3.26Å; K573-K575 PolarHBondContact O-N 2.9Å
574	D	85.2	Confident	82.5	Confident	61 Å²	61	102.1 Å²	102.1	33%	0.326	48%	0.483	S	S	.	.	H	α-helix	trans	-70.7	-22.8	-173.7	-63.3	-6.1	0	0	0	112	K570 R571 Q576 V577 V578	K570-D574 WeakPolarHBondContact CE-OD2 3.49Å; K570-D574 WeakPolarHBondContact CG-OD2 3.45Å; K570-D574 WeakPolarHBondContact O-CB 3.27Å; K570-D574 VanDerWaalsContact O-CG 3.3Å; K570-D574 PolarHBondContact O-N 3.25Å; R571-D574 PolarHBondContact O-N 3.43Å; D574-Q576 VanDerWaalsContact C-N 3.33Å; D574-Q576 PolarHBondContact O-N 2.89Å; D574-V577 WeakPolarHBondContact O-CB 3.36Å; D574-V577 PolarHBondContact O-N 3.45Å; D574-V578 WeakPolarHBondContact O-CG2 3.45Å; D574-V578 PolarHBondContact O-N 3.38Å
575	K	83.4	Confident	82	Confident	120 Å²	120	108.1 Å²	108.1	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-51.9	-46.3	179.4	178.2	179.5	177.8	-168.7	0	112.5	R571 K573 V577 V578 D579	R571-K575 WeakPolarHBondContact O-CA 3.39Å; R571-K575 WeakPolarHBondContact O-CB 3.37Å; R571-K575 PolarHBondContact O-N 2.82Å; K573-K575 VanDerWaalsContact C-N 3.26Å; K573-K575 PolarHBondContact O-N 2.9Å; K575-V577 PolarHBondContact O-N 3.28Å; K575-V578 PolarHBondContact O-N 2.99Å; K575-D579 WeakPolarHBondContact CE-OD2 3.3Å; K575-D579 VanDerWaalsContact CG-OD2 3.3Å; K575-D579 WeakPolarHBondContact CG-OD2 3.39Å; K575-D579 VanDerWaalsContact O-CB 3.31Å; K575-D579 WeakPolarHBondContact O-CB 3.33Å; K575-D579 PolarHBondContact O-N 2.94Å
576	Q	82.4	Confident	81.5	Confident	158 Å²	158	109.7 Å²	109.7	74%	0.738	51%	0.513	S	S	*	.	H	α-helix	trans	-63.5	-33	-179.4	-66.7	-176.1	-6.3	0	0	112.3	D574 K580	D574-Q576 VanDerWaalsContact C-N 3.33Å; D574-Q576 PolarHBondContact O-N 2.89Å; Q576-K580 VanDerWaalsContact O-CB 3.27Å; Q576-K580 WeakPolarHBondContact O-CB 3.35Å; Q576-K580 PolarHBondContact O-N 3.21Å; Q576-K580 VanDerWaalsContact O-N 3.1Å
577	V	85.2	Confident	80.8	Confident	103 Å²	103	110.4 Å²	110.4	62%	0.624	51%	0.513	S	S	*	.	H	α-helix	trans	-75	-42	177.2	-174.4	0	0	0	0	110.6	D574 K575 K580 F581	D574-V577 WeakPolarHBondContact O-CB 3.36Å; D574-V577 PolarHBondContact O-N 3.45Å; K575-V577 PolarHBondContact O-N 3.28Å; V577-K580 PolarHBondContact O-N 3.16Å; V577-F581 WeakPolarHBondContact O-CB 3.4Å; V577-F581 PolarHBondContact O-N 3.44Å
578	V	81.9	Confident	79.8	Confident	74 Å²	74	112.5 Å²	112.5	45%	0.448	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-45.5	176.1	172.7	0	0	0	0	111.4	D574 K575 K580 F581 N582	D574-V578 WeakPolarHBondContact O-CG2 3.45Å; D574-V578 PolarHBondContact O-N 3.38Å; K575-V578 PolarHBondContact O-N 2.99Å; V578-K580 VanDerWaalsContact C-N 3.32Å; V578-K580 PolarHBondContact O-N 2.76Å; V578-F581 PolarHBondContact O-N 2.93Å; V578-N582 WeakPolarHBondContact O-CB 3.3Å; V578-N582 PolarHBondContact O-N 2.96Å; V578-N582 PolarHBondContact O-ND2 3.17Å
579	D	82.9	Confident	78.7	Confident	66 Å²	66	108.7 Å²	108.7	35%	0.353	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-38.2	177.3	-68.6	-11.2	0	0	0	110.8	K575 R583	K575-D579 WeakPolarHBondContact CE-OD2 3.3Å; K575-D579 VanDerWaalsContact CG-OD2 3.3Å; K575-D579 WeakPolarHBondContact CG-OD2 3.39Å; K575-D579 VanDerWaalsContact O-CB 3.31Å; K575-D579 WeakPolarHBondContact O-CB 3.33Å; K575-D579 PolarHBondContact O-N 2.94Å; D579-R583 WeakPolarHBondContact O-CB 3.49Å; D579-R583 VanDerWaalsContact O-CG 3.31Å; D579-R583 WeakPolarHBondContact O-CG 3.39Å; D579-R583 PolarHBondContact O-N 3.34Å
580	K	84.9	Confident	77.3	Confident	136 Å²	136	104.6 Å²	104.6	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-65.9	-43	172.9	-175.1	176.3	-178.7	178.1	0	112.5	Q576 V577 V578 Q584	Q576-K580 VanDerWaalsContact O-CB 3.27Å; Q576-K580 WeakPolarHBondContact O-CB 3.35Å; Q576-K580 PolarHBondContact O-N 3.21Å; Q576-K580 VanDerWaalsContact O-N 3.1Å; V577-K580 PolarHBondContact O-N 3.16Å; V578-K580 VanDerWaalsContact C-N 3.32Å; V578-K580 PolarHBondContact O-N 2.76Å; K580-Q584 WeakPolarHBondContact O-CG 3.41Å; K580-Q584 PolarHBondContact O-N 3.4Å
581	F	82.2	Confident	75.7	Confident	124 Å²	124	100.7 Å²	100.7	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-40	177.3	178.4	-95.6	0	0	0	112.2	V577 V578 Q584 R585	V577-F581 WeakPolarHBondContact O-CB 3.4Å; V577-F581 PolarHBondContact O-N 3.44Å; V578-F581 PolarHBondContact O-N 2.93Å; F581-Q584 PolarHBondContact O-N 3.33Å; F581-R585 HydrophobicContact CE1-CG 4.46Å; F581-R585 PolarHBondContact O-N 3.46Å
582	N	78.1	Confident	74.2	Confident	63 Å²	63	99.9 Å²	99.9	34%	0.337	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-46.4	176.3	-70.8	-17.2	0	0	0	111	V578 Q584 R585 E586	V578-N582 WeakPolarHBondContact O-CB 3.3Å; V578-N582 PolarHBondContact O-N 2.96Å; V578-N582 PolarHBondContact O-ND2 3.17Å; N582-Q584 PolarHBondContact O-N 2.92Å; N582-R585 CarbonylContact O-C 3.4Å; N582-R585 WeakPolarHBondContact O-CA 3.45Å; N582-R585 VanDerWaalsContact O-CB 3.3Å; N582-R585 WeakPolarHBondContact O-CB 3.48Å; N582-R585 PolarHBondContact O-N 3.47Å; N582-E586 WeakPolarHBondContact O-CG 3.47Å; N582-E586 PolarHBondContact O-N 3.09Å
583	R	79.7	Confident	72.4	Confident	171 Å²	171	104.7 Å²	104.7	65%	0.645	52%	0.523	S	S	*	.	H	α-helix	trans	-55.8	-48.7	172.5	-74.8	175.2	-177.4	-167	-0	111.7	D579 R585 E586 D587	D579-R583 WeakPolarHBondContact O-CB 3.49Å; D579-R583 VanDerWaalsContact O-CG 3.31Å; D579-R583 WeakPolarHBondContact O-CG 3.39Å; D579-R583 PolarHBondContact O-N 3.34Å; R583-R585 VanDerWaalsContact C-N 3.26Å; R583-R585 PolarHBondContact O-N 2.88Å; R583-E586 CarbonylContact O-C 3.56Å; R583-E586 WeakPolarHBondContact O-CA 3.47Å; R583-E586 WeakPolarHBondContact O-CB 3.46Å; R583-E586 PolarHBondContact O-N 2.96Å; R583-D587 WeakPolarHBondContact O-CB 3.47Å; R583-D587 PolarHBondContact O-N 3.06Å; R583-D587 VanDerWaalsContact O-OD2 3.09Å
584	Q	76.8	Confident	70.1	Confident	108 Å²	108	102.8 Å²	102.8	51%	0.505	52%	0.519	S	S	.	.	H	α-helix	trans	-60.1	-32.9	175.8	-73.3	179.1	-28.9	0	0	113.3	K580 F581 N582 V588	K580-Q584 WeakPolarHBondContact O-CG 3.41Å; K580-Q584 PolarHBondContact O-N 3.4Å; F581-Q584 PolarHBondContact O-N 3.33Å; N582-Q584 PolarHBondContact O-N 2.92Å; Q584-V588 WeakPolarHBondContact O-CB 3.5Å; Q584-V588 VanDerWaalsContact O-CG2 3.24Å; Q584-V588 WeakPolarHBondContact O-CG2 3.4Å; Q584-V588 PolarHBondContact O-N 3.13Å
585	R	70.6	Confident	67.9	Low	128 Å²	128	108 Å²	108	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-67.5	-42.2	170.8	-108.7	-176.8	64.2	133.8	0.2	112	D515 F581 N582 R583 A589	D515-R585 IonicContact OD2-CZ 3.24Å; D515-R585 VanDerWaalsContact OD2-CZ 3.31Å; D515-R585 IonicContact OD2-NH1 2.74Å; D515-R585 PolarHBondContact OD2-NH1 2.95Å; D515-R585 IonicContact OD2-NH2 3.46Å; D515-R585 PolarHBondContact OD2-NH2 2.73Å; F581-R585 HydrophobicContact CE1-CG 4.46Å; F581-R585 PolarHBondContact O-N 3.46Å; N582-R585 CarbonylContact O-C 3.4Å; N582-R585 WeakPolarHBondContact O-CA 3.45Å; N582-R585 VanDerWaalsContact O-CB 3.3Å; N582-R585 WeakPolarHBondContact O-CB 3.48Å; N582-R585 PolarHBondContact O-N 3.47Å; R583-R585 VanDerWaalsContact C-N 3.26Å; R583-R585 PolarHBondContact O-N 2.88Å; R585-A589 WeakPolarHBondContact O-CB 3.24Å; R585-A589 PolarHBondContact O-N 3.31Å
586	E	69.9	Low	65.9	Low	123 Å²	123	106.7 Å²	106.7	58%	0.575	54%	0.54	S	S	*	.	H	α-helix	trans	-68	-43.4	179.2	-71.9	161.5	-174.1	0	0	111.3	N582 R583 V588 A589 A590	N582-E586 WeakPolarHBondContact O-CG 3.47Å; N582-E586 PolarHBondContact O-N 3.09Å; R583-E586 CarbonylContact O-C 3.56Å; R583-E586 WeakPolarHBondContact O-CA 3.47Å; R583-E586 WeakPolarHBondContact O-CB 3.46Å; R583-E586 PolarHBondContact O-N 2.96Å; E586-V588 PolarHBondContact O-N 3.34Å; E586-A589 CarbonylContact O-C 3.53Å; E586-A589 PolarHBondContact O-N 2.85Å; E586-A590 VanDerWaalsContact O-CB 3.29Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 3.2Å
587	D	70.1	Confident	63.3	Low	107 Å²	107	102.9 Å²	102.9	57%	0.572	53%	0.531	S	S	*	.	H	α-helix	trans	-60	-45.6	175.1	-63.6	-36.6	0	0	0	111.4	R583 A590 G591	R583-D587 WeakPolarHBondContact O-CB 3.47Å; R583-D587 PolarHBondContact O-N 3.06Å; R583-D587 VanDerWaalsContact O-OD2 3.09Å; D587-A590 PolarHBondContact O-N 3.39Å; D587-G591 PolarHBondContact O-N 3.45Å
588	V	64.9	Low	60.5	Low	95 Å²	95	102 Å²	102	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-66.4	-38.1	176.5	168.2	0	0	0	0	111.7	Q584 E586 S592	Q584-V588 WeakPolarHBondContact O-CB 3.5Å; Q584-V588 VanDerWaalsContact O-CG2 3.24Å; Q584-V588 WeakPolarHBondContact O-CG2 3.4Å; Q584-V588 PolarHBondContact O-N 3.13Å; E586-V588 PolarHBondContact O-N 3.34Å; V588-S592 WeakPolarHBondContact O-CB 3.18Å; V588-S592 PolarHBondContact O-N 3.41Å; V588-S592 VanDerWaalsContact O-N 3.1Å; V588-S592 PolarHBondContact O-OG 3.34Å
589	A	57.9	Low	58	Low	57 Å²	57	103.9 Å²	103.9	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-68.3	-37.4	173.9	0	0	0	0	0	112.1	R585 E586 S592 R593	R585-A589 WeakPolarHBondContact O-CB 3.24Å; R585-A589 PolarHBondContact O-N 3.31Å; E586-A589 CarbonylContact O-C 3.53Å; E586-A589 PolarHBondContact O-N 2.85Å; A589-S592 PolarHBondContact O-N 3.12Å; A589-R593 WeakPolarHBondContact O-CB 3.23Å; A589-R593 PolarHBondContact O-N 3.14Å
590	A	55.3	Low	55.5	Low	47 Å²	47	106.8 Å²	106.8	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-69.1	-45.1	177	0	0	0	0	0	111.9	E586 D587 S592 R593 L594	E586-A590 VanDerWaalsContact O-CB 3.29Å; E586-A590 WeakPolarHBondContact O-CB 3.26Å; E586-A590 PolarHBondContact O-N 3.2Å; D587-A590 PolarHBondContact O-N 3.39Å; A590-S592 VanDerWaalsContact C-N 3.3Å; A590-S592 PolarHBondContact O-N 2.82Å; A590-R593 CarbonylContact O-C 3.6Å; A590-R593 WeakPolarHBondContact O-CA 3.49Å; A590-R593 WeakPolarHBondContact O-CB 3.33Å; A590-R593 PolarHBondContact O-N 3.14Å; A590-L594 WeakPolarHBondContact O-CG 3.29Å; A590-L594 PolarHBondContact O-N 3.28Å
591	G	50	Low	52.8	Low	37 Å²	37	112 Å²	112	38%	0.381	59%	0.587	S	S	.	*	H	α-helix	trans	-59.1	-40.9	173.3	0	0	0	0	0	112.3	D587 R593 L594 Q595	D587-G591 PolarHBondContact O-N 3.45Å; G591-R593 VanDerWaalsContact C-N 3.32Å; G591-R593 PolarHBondContact O-N 2.78Å; G591-L594 PolarHBondContact O-N 3.09Å; G591-Q595 PolarHBondContact O-N 2.89Å
592	S	48.4	Very low	50.2	Low	66 Å²	66	110.8 Å²	110.8	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-34.4	172.9	-56	0	0	0	0	112.6	V588 A589 A590 L596	V588-S592 WeakPolarHBondContact O-CB 3.18Å; V588-S592 PolarHBondContact O-N 3.41Å; V588-S592 VanDerWaalsContact O-N 3.1Å; V588-S592 PolarHBondContact O-OG 3.34Å; A589-S592 PolarHBondContact O-N 3.12Å; A590-S592 VanDerWaalsContact C-N 3.3Å; A590-S592 PolarHBondContact O-N 2.82Å; S592-L596 WeakPolarHBondContact O-CG 3.49Å
593	R	44.5	Very low	47.9	Very low	190 Å²	190	114.7 Å²	114.7	72%	0.717	63%	0.626	S	S	*	*	H	α-helix	trans	-75.6	-31.8	177.7	-169.9	177.6	-72	-166.5	-3.4	112.8	A589 A590 G591 L596	A589-R593 WeakPolarHBondContact O-CB 3.23Å; A589-R593 PolarHBondContact O-N 3.14Å; A590-R593 CarbonylContact O-C 3.6Å; A590-R593 WeakPolarHBondContact O-CA 3.49Å; A590-R593 WeakPolarHBondContact O-CB 3.33Å; A590-R593 PolarHBondContact O-N 3.14Å; G591-R593 VanDerWaalsContact C-N 3.32Å; G591-R593 PolarHBondContact O-N 2.78Å; R593-L596 WeakPolarHBondContact O-CB 3.3Å; R593-L596 PolarHBondContact O-N 3.37Å; R593-L596 VanDerWaalsContact O-N 3.16Å
594	L	37.8	Very low	45.4	Very low	124 Å²	124	111.4 Å²	111.4	65%	0.649	64%	0.635	S	S	*	*	H	α-helix	trans	-69.9	-34.9	175.4	-73.4	165.8	0	0	0	112.4	A590 G591 L596 S597	A590-L594 WeakPolarHBondContact O-CG 3.29Å; A590-L594 PolarHBondContact O-N 3.28Å; G591-L594 PolarHBondContact O-N 3.09Å; L594-L596 PolarHBondContact O-N 3.4Å; L594-S597 PolarHBondContact O-N 2.8Å; L594-S597 PolarHBondContact O-OG 3.34Å
595	Q	39.3	Very low	43	Very low	170 Å²	170	109.8 Å²	109.8	79%	0.794	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-17.4	170.3	-71.5	-171.6	-16.4	0	0	113.4	G591	G591-Q595 PolarHBondContact O-N 2.89Å
596	L	40.7	Very low	41	Very low	93 Å²	93	112.7 Å²	112.7	49%	0.487	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	177.4	-74.6	164.8	0	0	0	113.9	P441 S592 R593 L594	P441-L596 HydrophobicContact CB-CD2 3.91Å; P441-L596 HydrophobicContact CG-CD2 3.82Å; S592-L596 WeakPolarHBondContact O-CG 3.49Å; R593-L596 WeakPolarHBondContact O-CB 3.3Å; R593-L596 PolarHBondContact O-N 3.37Å; R593-L596 VanDerWaalsContact O-N 3.16Å; L594-L596 PolarHBondContact O-N 3.4Å
597	S	28.8	Very low	38.9	Very low	79 Å²	79	113.3 Å²	113.3	55%	0.552	67%	0.674	S	S	*	*			trans	-109.2	4.1	-173.1	57.2	0	0	0	0	116	L594 P599	L594-S597 PolarHBondContact O-N 2.8Å; L594-S597 PolarHBondContact O-OG 3.34Å; S597-P599 WeakPolarHBondContact O-CD 3.16Å
598	A	25.2	Very low	36.9	Very low	85 Å²	85	117.3 Å²	117.3	70%	0.702	69%	0.689	S	S	*	*			trans	-84.5	113.8	176.4	0	0	0	0	0	111.3
599	P	29.6	Very low	35.2	Very low	112 Å²	112	116.1 Å²	116.1	73%	0.727	70%	0.696	S	S	*	*			trans	-75.5	148.9	177.7	31.6	-35	0	0	0	111.5	S597 R601	S597-P599 WeakPolarHBondContact O-CD 3.16Å; P599-R601 PolarHBondContact O-N 3.38Å
600	P	30	Very low	33.9	Very low	128 Å²	128	123.2 Å²	123.2	83%	0.831	72%	0.719	S	S	*	*			trans	-67.1	122.3	172.4	28.4	-33.2	0	0	0	110	A602	P600-A602 PolarHBondContact O-N 3.26Å; P600-A602 VanDerWaalsContact O-N 3.1Å
601	R	28.1	Very low	32.6	Very low	246 Å²	246	124.6 Å²	124.6	93%	0.928	74%	0.738	S	S	*	*			trans	-62.1	112.4	171.7	-98.4	-177.3	168.1	178.5	-4.1	109.6	P599	P599-R601 PolarHBondContact O-N 3.38Å
602	A	29.1	Very low	32.1	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	77%	0.767	S	S	*	*			trans	-71.2	132	172.8	0	0	0	0	0	110.4	P600 A604	P600-A602 PolarHBondContact O-N 3.26Å; P600-A602 VanDerWaalsContact O-N 3.1Å; A602-A604 PolarHBondContact O-N 3.45Å
603	T	28.3	Very low	31.4	Very low	146 Å²	146	132.7 Å²	132.7	90%	0.896	77%	0.768	S	S	*	*			trans	-86.4	92.7	177.1	52.5	0	0	0	0	110.9
604	A	27.8	Very low	31.1	Very low	101 Å²	101	130.3 Å²	130.3	84%	0.835	77%	0.77	S	S	*	*			trans	-100	148.9	152.4	0	0	0	0	0	108.1	A602	A602-A604 PolarHBondContact O-N 3.45Å
605	G	27.4	Very low	31.1	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	78%	0.777	S	S	*	*			trans	-106.4	-163	-159.9	0	0	0	0	0	116.8
606	E	27.5	Very low	31.1	Very low	189 Å²	189	131.9 Å²	131.9	88%	0.883	77%	0.774	S	S	*	*			trans	95.5	107	172.9	-54.3	-164.3	166.9	0	0	118
607	N	27.2	Very low	31	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	78%	0.784	S	S	*	*			trans	70.6	112.8	146.5	-67.5	11.5	0	0	0	124
608	E	28.1	Very low	31.9	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	79%	0.792	S	S	*	*				66.9	126.9	128.4	-59.7	-170.7	155.2	0	0	121.1
609	G	28.6	Very low	32.8	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	79%	0.791	S	S	*	*			trans	138.3	89.1	156.8	0	0	0	0	0	116.6
610	Q	29.2	Very low	33.1	Very low	207 Å²	207	140.9 Å²	140.9	97%	0.967	79%	0.788	S	S	*	*			trans	66.2	169.1	158.7	-54.1	174.2	-2.6	0	0	116.6
611	G	28.4	Very low	33.6	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	77%	0.769	S	S	*	*			trans	108.8	36.5	171	0	0	0	0	0	119.1
612	K	40.4	Very low	34.2	Very low	225 Å²	225	130 Å²	130	98%	0.978	76%	0.755	S	S	*	*			trans	-79.1	124	157.8	-81.9	-168.8	173.9	-171.4	0	109.5
613	G	34.2	Very low	34.3	Very low	48 Å²	48	132.6 Å²	132.6	50%	0.495	75%	0.748	S	S	.	*			trans	176.3	-53.9	172.7	0	0	0	0	0	114.7	E615	G613-E615 PolarHBondContact O-N 2.94Å
614	N	36.7	Very low	34.9	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	8.6	-154.4	-63.4	42.4	0	0	0	116.7
615	E	38.7	Very low	35.6	Very low	174 Å²	174	133 Å²	133	81%	0.813	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-8	-178.6	-67	-169.8	156.3	0	0	114.5	G613	G613-E615 PolarHBondContact O-N 2.94Å
616	E	39.3	Very low	35.9	Very low	153 Å²	153	135 Å²	135	72%	0.715	73%	0.729	S	S	*	*	S	Bend	trans	-97.2	-25	179.5	-65	-168.8	147.5	0	0	113.8	Q620	E616-Q620 PolarHBondContact O-N 2.86Å
617	E	39.3	Very low	36.1	Very low	151 Å²	151	131.3 Å²	131.3	71%	0.706	71%	0.714	S	S	*	*	H	α-helix	trans	-73.9	-44	-176.6	-61.4	-168.1	138.2	0	0	112.9	L619 Q620 G621	E617-L619 PolarHBondContact O-N 3.46Å; E617-Q620 PolarHBondContact O-N 3.39Å; E617-G621 PolarHBondContact O-N 3.25Å; E617-G621 VanDerWaalsContact O-N 3.09Å
618	D	46.9	Very low	36.5	Very low	135 Å²	135	128.1 Å²	128.1	72%	0.722	71%	0.714	S	S	*	*	H	α-helix	trans	-61.1	-26.7	179.1	-89.4	-13.4	0	0	0	113.1
619	L	43.8	Very low	36.5	Very low	132 Å²	132	128.7 Å²	128.7	69%	0.691	71%	0.714	S	S	*	*	H	α-helix	trans	-83.5	-26.7	176.1	-74.4	170.8	0	0	0	113.2	E617	E617-L619 PolarHBondContact O-N 3.46Å
620	Q	36.2	Very low	36.6	Very low	141 Å²	141	135.1 Å²	135.1	66%	0.659	72%	0.722	S	S	*	*	H	α-helix	trans	-77.8	-36.3	174.9	-70.3	-170	16.9	0	0	112.3	E616 E617 V622 F623 S624	E616-Q620 PolarHBondContact O-N 2.86Å; E617-Q620 PolarHBondContact O-N 3.39Å; Q620-V622 PolarHBondContact O-N 3.49Å; Q620-F623 PolarHBondContact O-N 3.18Å; Q620-S624 PolarHBondContact O-N 2.78Å
621	G	41	Very low	36.5	Very low	41 Å²	41	137 Å²	137	42%	0.423	72%	0.72	S	S	.	*	H	α-helix	trans	-53.7	-55.3	175.9	0	0	0	0	0	112.1	E617 F623 S624	E617-G621 PolarHBondContact O-N 3.25Å; E617-G621 VanDerWaalsContact O-N 3.09Å; G621-F623 VanDerWaalsContact C-N 3.26Å; G621-F623 PolarHBondContact O-N 3Å; G621-S624 PolarHBondContact O-N 2.86Å; G621-S624 VanDerWaalsContact O-N 3.13Å; G621-S624 PolarHBondContact O-OG 2.92Å
622	V	39.5	Very low	36.5	Very low	105 Å²	105	144.3 Å²	144.3	64%	0.636	72%	0.724	S	S	*	*	H	α-helix	trans	-62	-29.7	179.9	-179.5	0	0	0	0	112.9	Q620	Q620-V622 PolarHBondContact O-N 3.49Å
623	F	32.3	Very low	35.9	Very low	151 Å²	151	140.4 Å²	140.4	66%	0.662	71%	0.714	S	S	*	*	H	α-helix	trans	-79.6	-26.1	178.2	-134.3	-91.1	0	0	0	113.1	Q620 G621 L627	Q620-F623 PolarHBondContact O-N 3.18Å; G621-F623 VanDerWaalsContact C-N 3.26Å; G621-F623 PolarHBondContact O-N 3Å; F623-L627 HydrophobicContact CD1-CD1 4.07Å; F623-L627 HydrophobicContact CE1-CD1 4.17Å
624	S	41.1	Very low	35.7	Very low	80 Å²	80	145.6 Å²	145.6	56%	0.559	73%	0.73	S	S	*	*	H	α-helix	trans	-74.6	-37.9	-177.3	73.9	0	0	0	0	113.4	Q620 G621 V626 L627	Q620-S624 PolarHBondContact O-N 2.78Å; G621-S624 PolarHBondContact O-N 2.86Å; G621-S624 VanDerWaalsContact O-N 3.13Å; G621-S624 PolarHBondContact O-OG 2.92Å; S624-V626 PolarHBondContact O-N 3.38Å; S624-L627 PolarHBondContact O-N 3.15Å
625	E	41.4	Very low	35.3	Very low	174 Å²	174	146 Å²	146	81%	0.813	73%	0.727	S	S	*	*	H	α-helix	trans	-64.5	-28.6	-178.8	-167.8	173.2	-154.9	0	0	112.3
626	V	34.7	Very low	34.9	Very low	118 Å²	118	147.2 Å²	147.2	72%	0.715	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-17.2	-179.8	-178.6	0	0	0	0	113	S624	S624-V626 PolarHBondContact O-N 3.38Å
627	L	31.5	Very low	34.3	Very low	110 Å²	110	146.6 Å²	146.6	58%	0.576	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	2.4	-169.2	-68	176.6	0	0	0	115.8	F623 S624 F629	F623-L627 HydrophobicContact CD1-CD1 4.07Å; F623-L627 HydrophobicContact CE1-CD1 4.17Å; S624-L627 PolarHBondContact O-N 3.15Å; L627-F629 WeakPolarHBondContact O-CD2 3.48Å; L627-F629 PolarHBondContact O-N 3.01Å
628	G	35.5	Very low	33.8	Very low	71 Å²	71	143 Å²	143	73%	0.732	74%	0.738	S	S	*	*			trans	63.7	40.5	149.7	0	0	0	0	0	118.5
629	F	28.3	Very low	32.9	Very low	202 Å²	202	145.9 Å²	145.9	89%	0.886	75%	0.747	S	S	*	*			trans	-95.7	132	172.8	-81.3	-85.7	0	0	0	113.3	L627	L627-F629 WeakPolarHBondContact O-CD2 3.48Å; L627-F629 PolarHBondContact O-N 3.01Å
630	K	29.3	Very low	32.2	Very low	204 Å²	204	147.9 Å²	147.9	89%	0.887	75%	0.752	S	S	*	*			trans	-104.4	119.7	-173.7	-169.1	173.4	-174.6	174.7	0	111.6
631	R	29	Very low	32.2	Very low	247 Å²	247	146.9 Å²	146.9	93%	0.932	76%	0.758	S	S	*	*			trans	-97.8	171.3	167.9	-81.5	-174.2	170.9	177.8	-1.7	111.8
632	R	26.7	Very low	31.6	Very low	229 Å²	229	154 Å²	154	86%	0.864	78%	0.777	S	S	*	*			trans	-142.6	127.8	-152.8	-175.2	-179.3	-176.5	-178.5	-0.1	112.3
633	N	29.1	Very low	31.1	Very low	143 Å²	143	153.8 Å²	153.8	77%	0.765	78%	0.781	S	S	*	*			trans	36.8	136.3	160.7	-65.3	35.7	0	0	0	122.2
634	L	29.3	Very low	31	Very low	158 Å²	158	155.5 Å²	155.5	83%	0.827	79%	0.788	S	S	*	*				-174.7	116.3	117.9	-88.5	153.3	0	0	0	104.6
635	Q	29	Very low	30.5	Very low	148 Å²	148	161.4 Å²	161.4	69%	0.692	80%	0.803	S	S	*	*				85.8	113	56.6	-173.6	177.8	-0.6	0	0	113.6	D637	Q635-D637 PolarHBondContact NE2-OD2 2.73Å
636	E	28.7	Very low	29.9	Very low	198 Å²	198	158.7 Å²	158.7	93%	0.925	80%	0.803	S	S	*	*			trans	-157.7	155.8	150.2	-123.3	168.8	-155.9	0	0	108.9
637	D	27.1	Very low	29.9	Very low	140 Å²	140	165.2 Å²	165.2	75%	0.749	82%	0.815	S	S	*	*			trans	-121.4	158	-158.8	-72.6	-77.5	0	0	0	113.7	Q635	Q635-D637 PolarHBondContact NE2-OD2 2.73Å
638	G	28.5	Very low	30.2	Very low	75 Å²	75	169 Å²	169	77%	0.773	83%	0.83	S	S	*	*			trans	-174.3	59.7	-173.6	0	0	0	0	0	119.1
639	E	29	Very low	30.4	Very low	197 Å²	197	172.6 Å²	172.6	92%	0.921	84%	0.838	S	S	*	*			trans	23.2	156.6	159.8	-57.6	-152.9	110.8	0	0	126.2
640	H	28.7	Very low	30.8	Very low	173 Å²	173	166.7 Å²	166.7	80%	0.801	83%	0.834	S	S	*	*			trans	-135.1	159.4	-178.5	-74.9	-52.3	0	0	0	113.6
641	P	37	Very low	31.8	Very low	120 Å²	120	165.5 Å²	165.5	78%	0.779	83%	0.829	S	S	*	*			trans	-130.6	121.4	131.6	28.5	-13	0	0	0	112.6
642	K	28.7	Very low	32.9	Very low	190 Å²	190	158.2 Å²	158.2	83%	0.826	81%	0.808	S	S	*	*				67.1	131.2	78.2	-68.4	167.7	-176.1	163.1	0	113.3
643	S	29	Very low	34.2	Very low	101 Å²	101	156.5 Å²	156.5	71%	0.706	81%	0.81	S	S	*	*			cis	-157.8	-161.7	-0.9	54.3	0	0	0	0	108.8
644	K	29.8	Very low	35.3	Very low	188 Å²	188	158 Å²	158	82%	0.817	81%	0.813	S	S	*	*			cis	-168.5	168.2	20.2	-142.2	166.6	-173.7	173.8	0	109.7
645	K	29.3	Very low	36.3	Very low	204 Å²	204	159.1 Å²	159.1	89%	0.887	81%	0.807	S	S	*	*			trans	72.8	144.2	-175.6	-54.8	178.7	178.8	179.3	0	114.3
646	S	30.6	Very low	37.7	Very low	116 Å²	116	159.5 Å²	159.5	81%	0.811	80%	0.803	S	S	*	*			cis	-149.6	159.3	-15	36.9	0	0	0	0	109.6
647	R	34	Very low	39	Very low	255 Å²	255	157.4 Å²	157.4	96%	0.962	80%	0.797	S	S	*	*			trans	-77.9	123	-175.1	-88.8	178.6	163.3	167.1	-6.6	112.8
648	E	37.4	Very low	40.5	Very low	189 Å²	189	153.6 Å²	153.6	88%	0.883	78%	0.78	S	S	*	*			trans	-126.6	155.6	152.4	-68.8	-170	149.8	0	0	109.4	G650	E648-G650 PolarHBondContact O-N 3.37Å; E648-G650 VanDerWaalsContact O-N 3.11Å
649	T	39.5	Very low	42.1	Very low	148 Å²	148	161 Å²	161	91%	0.908	79%	0.786	S	S	*	*			trans	-84.9	84.5	-172.6	50.3	0	0	0	0	112	K651	T649-K651 PolarHBondContact O-N 2.65Å; T649-K651 VanDerWaalsContact O-N 3.16Å
650	G	37.6	Very low	43.5	Very low	78 Å²	78	157.5 Å²	157.5	80%	0.804	77%	0.768	S	S	*	*			trans	-60.1	112.8	177.5	0	0	0	0	0	113.5	E648	E648-G650 PolarHBondContact O-N 3.37Å; E648-G650 VanDerWaalsContact O-N 3.11Å
651	K	50.2	Low	45.4	Very low	179 Å²	179	153.3 Å²	153.3	78%	0.778	76%	0.756	S	S	*	*			trans	-110.8	118.5	148.7	-76.1	-176.3	178.1	177.6	0	106.6	T649 E653	T649-K651 PolarHBondContact O-N 2.65Å; T649-K651 VanDerWaalsContact O-N 3.16Å; K651-E653 PolarHBondContact O-N 3.28Å
652	D	52.6	Low	46.4	Very low	93 Å²	93	157.2 Å²	157.2	50%	0.497	76%	0.761	S	S	.	*			trans	-87	107.2	-175.5	-168.2	-23.1	0	0	0	109.9	E654 Y655 Y656	D652-E654 PolarHBondContact O-N 3.3Å; D652-E654 PolarHBondContact OD1-N 3.43Å; D652-E654 VanDerWaalsContact OD1-N 3.11Å; D652-Y655 PolarHBondContact O-N 2.99Å; D652-Y656 WeakPolarHBondContact O-CB 3.47Å; D652-Y656 PolarHBondContact O-N 3.24Å
653	E	52.9	Low	47.7	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.3	-178	-69.3	-121.1	133.9	0	0	113	K651	K651-E653 PolarHBondContact O-N 3.28Å
654	E	53.4	Low	49.3	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-22	178.9	-60.7	-161.9	148.2	0	0	112.6	D652	D652-E654 PolarHBondContact O-N 3.3Å; D652-E654 PolarHBondContact OD1-N 3.43Å; D652-E654 VanDerWaalsContact OD1-N 3.11Å
655	Y	49.2	Very low	50.4	Low	181 Å²	181	148.7 Å²	148.7	71%	0.71	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-9.3	-176.7	-69.6	-81.1	0	0	0	115.5	D652 I657	D652-Y655 PolarHBondContact O-N 2.99Å; Y655-I657 PolarHBondContact O-N 3.48Å
656	Y	58.8	Low	51.8	Low	156 Å²	156	142.1 Å²	142.1	61%	0.612	70%	0.701	S	S	*	*			trans	-75.3	94.4	175.9	-177.4	-100.7	0	0	0	112.1	D652 P658	D652-Y656 WeakPolarHBondContact O-CB 3.47Å; D652-Y656 PolarHBondContact O-N 3.24Å; Y656-P658 HydrophobicContact CE1-CB 4.2Å; Y656-P658 VanDerWaalsContact O-CD 3.23Å; Y656-P658 WeakPolarHBondContact O-CD 3.46Å
657	I	56.7	Low	52.9	Low	154 Å²	154	142.5 Å²	142.5	79%	0.79	69%	0.691	S	S	*	*			trans	-77	112.5	170.6	-60.2	166.3	0	0	0	109.2	Y655	Y655-I657 PolarHBondContact O-N 3.48Å
658	P	58.5	Low	53.7	Low	60 Å²	60	138.7 Å²	138.7	39%	0.39	68%	0.676	S	S	.	*			trans	-70.9	143.2	175.6	30.2	-34.9	0	0	0	111.1	Y656 K660	Y656-P658 HydrophobicContact CE1-CB 4.2Å; Y656-P658 VanDerWaalsContact O-CD 3.23Å; Y656-P658 WeakPolarHBondContact O-CD 3.46Å; P658-K660 PolarHBondContact O-N 3.41Å
659	Y	60.3	Low	54.4	Low	231 Å²	231	132.6 Å²	132.6	91%	0.906	66%	0.664	S	S	*	*	S	Bend	trans	-60.6	-6.9	-179.9	-175.3	-107.4	0	0	0	115.1
660	K	59.4	Low	55.1	Low	123 Å²	123	132.8 Å²	132.8	54%	0.535	66%	0.659	S	S	.	*	S	Bend	trans	-137.3	134.2	170.7	-62.7	179.1	-177	172.5	0	108.7	P658 F664	P658-K660 PolarHBondContact O-N 3.41Å; K660-F664 HydrophobicContact CB-CB 4.38Å; K660-F664 HydrophobicContact CB-CG 4.47Å; K660-F664 HydrophobicContact CD-CD1 4.14Å; K660-F664 HydrophobicContact CD-CE1 4.29Å
661	P	68.1	Low	55.5	Low	85 Å²	85	133 Å²	133	55%	0.552	65%	0.648	S	S	*	*			trans	-63.6	151.1	172.7	27.1	-32.8	0	0	0	110.4	D663 F664	P661-D663 PolarHBondContact O-N 2.89Å; P661-D663 VanDerWaalsContact O-N 3.12Å; P661-F664 HydrophobicContact CG-CB 4.12Å; P661-F664 VanDerWaalsContact O-CB 3.27Å; P661-F664 WeakPolarHBondContact O-CB 3.17Å; P661-F664 PolarHBondContact O-N 2.95Å
662	K	59.1	Low	55.1	Low	202 Å²	202	132.5 Å²	132.5	88%	0.878	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-32.1	-175.3	-74.1	179.6	175.6	173.6	0	112.7
663	D	55.9	Low	54.4	Low	100 Å²	100	132.1 Å²	132.1	54%	0.535	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	3.1	-178.7	-60.9	-71.6	0	0	0	115.4	P661 N665 S666 E667	P661-D663 PolarHBondContact O-N 2.89Å; P661-D663 VanDerWaalsContact O-N 3.12Å; D663-N665 PolarHBondContact O-N 3.39Å; D663-N665 VanDerWaalsContact O-N 3.09Å; D663-S666 WeakPolarHBondContact O-CA 3.49Å; D663-S666 VanDerWaalsContact O-CB 3.27Å; D663-S666 WeakPolarHBondContact O-CB 3.47Å; D663-S666 PolarHBondContact O-N 2.9Å; D663-E667 PolarHBondContact O-N 3.35Å
664	F	62.5	Low	53.8	Low	73 Å²	73	126.3 Å²	126.3	32%	0.32	66%	0.663	S	S	.	*	H	α-helix	trans	-52.4	-37.8	-177.1	-179.9	-98.9	0	0	0	113.8	K660 P661 R668	K660-F664 HydrophobicContact CB-CB 4.38Å; K660-F664 HydrophobicContact CB-CG 4.47Å; K660-F664 HydrophobicContact CD-CD1 4.14Å; K660-F664 HydrophobicContact CD-CE1 4.29Å; P661-F664 HydrophobicContact CG-CB 4.12Å; P661-F664 VanDerWaalsContact O-CB 3.27Å; P661-F664 WeakPolarHBondContact O-CB 3.17Å; P661-F664 PolarHBondContact O-N 2.95Å; F664-R668 VanDerWaalsContact O-CB 3.22Å; F664-R668 WeakPolarHBondContact O-CB 3.47Å; F664-R668 PolarHBondContact O-N 2.91Å
665	N	53	Low	53.2	Low	127 Å²	127	127.7 Å²	127.7	68%	0.679	67%	0.67	S	S	*	*	H	α-helix	trans	-79.4	-28.9	176.8	-69.7	-15.8	0	0	0	112.6	D663 G669	D663-N665 PolarHBondContact O-N 3.39Å; D663-N665 VanDerWaalsContact O-N 3.09Å; N665-G669 PolarHBondContact O-N 3.24Å
666	S	57.4	Low	53.1	Low	66 Å²	66	122 Å²	122	46%	0.462	67%	0.666	S	S	.	*	H	α-helix	trans	-68.1	-49.1	176.1	-49.4	0	0	0	0	110.7	D663 G669 L670	D663-S666 WeakPolarHBondContact O-CA 3.49Å; D663-S666 VanDerWaalsContact O-CB 3.27Å; D663-S666 WeakPolarHBondContact O-CB 3.47Å; D663-S666 PolarHBondContact O-N 2.9Å; S666-G669 PolarHBondContact O-N 3.46Å; S666-L670 PolarHBondContact O-N 3.47Å
667	E	54.9	Low	52.7	Low	125 Å²	125	117.3 Å²	117.3	58%	0.584	66%	0.656	S	S	*	*	H	α-helix	trans	-63.9	-42.4	176.2	-65.6	-172.7	132.2	0	0	111.3	D663 G669 L670 S671	D663-E667 PolarHBondContact O-N 3.35Å; E667-G669 PolarHBondContact O-N 3.01Å; E667-L670 CarbonylContact O-C 3.56Å; E667-L670 WeakPolarHBondContact O-CA 3.4Å; E667-L670 PolarHBondContact O-N 2.97Å; E667-S671 PolarHBondContact O-N 3.27Å; E667-S671 PolarHBondContact O-OG 3.42Å
668	R	50.5	Low	52.1	Low	175 Å²	175	116.1 Å²	116.1	66%	0.66	65%	0.647	S	S	*	*	H	α-helix	trans	-64.2	-25	175.8	-170.3	170.1	-179.2	156.1	1.1	113.4	F664 L670 S671	F664-R668 VanDerWaalsContact O-CB 3.22Å; F664-R668 WeakPolarHBondContact O-CB 3.47Å; F664-R668 PolarHBondContact O-N 2.91Å; R668-L670 VanDerWaalsContact C-N 3.33Å; R668-S671 WeakPolarHBondContact CA-OG 3.07Å; R668-S671 PolarHBondContact O-OG 3.11Å
669	G	51.1	Low	51.3	Low	61 Å²	61	121 Å²	121	63%	0.629	66%	0.662	S	S	*	*	H	α-helix	trans	-76.5	-16.9	170.5	0	0	0	0	0	114.3	N665 S666 E667	N665-G669 PolarHBondContact O-N 3.24Å; S666-G669 PolarHBondContact O-N 3.46Å; E667-G669 PolarHBondContact O-N 3.01Å
670	L	56	Low	50.6	Low	152 Å²	152	116.1 Å²	116.1	80%	0.796	65%	0.648	S	S	*	*	H	α-helix	trans	-99.9	-23.9	176.8	-65.6	168.5	0	0	0	112.4	S666 E667 R668 L672	S666-L670 PolarHBondContact O-N 3.47Å; E667-L670 CarbonylContact O-C 3.56Å; E667-L670 WeakPolarHBondContact O-CA 3.4Å; E667-L670 PolarHBondContact O-N 2.97Å; R668-L670 VanDerWaalsContact C-N 3.33Å; L670-L672 PolarHBondContact O-N 3.11Å; L670-L672 VanDerWaalsContact O-N 3.08Å
671	S	45	Very low	49.9	Very low	82 Å²	82	115.3 Å²	115.3	57%	0.573	65%	0.646	S	S	*	*			trans	-82.7	72.2	179.6	70.3	0	0	0	0	113.2	E667 R668	E667-S671 PolarHBondContact O-N 3.27Å; E667-S671 PolarHBondContact O-OG 3.42Å; R668-S671 WeakPolarHBondContact CA-OG 3.07Å; R668-S671 PolarHBondContact O-OG 3.11Å
672	L	41.1	Very low	48.9	Very low	168 Å²	168	116.5 Å²	116.5	88%	0.88	64%	0.644	S	S	*	*			trans	-89.8	109.2	160.3	-73	174.8	0	0	0	109.3	L670	L670-L672 PolarHBondContact O-N 3.11Å; L670-L672 VanDerWaalsContact O-N 3.08Å
673	G	39.1	Very low	48.1	Very low	85 Å²	85	109.2 Å²	109.2	88%	0.876	62%	0.622	S	S	*	*			trans	-80.9	136.5	176.2	0	0	0	0	0	112.2
674	G	39.7	Very low	47.4	Very low	73 Å²	73	108.1 Å²	108.1	75%	0.753	62%	0.622	S	S	*	*	S	Bend	trans	143.1	110.2	178.5	0	0	0	0	0	111.8
675	E	41.4	Very low	46.4	Very low	202 Å²	202	109.2 Å²	109.2	94%	0.944	64%	0.639	S	S	*	*	S	Bend	trans	44.8	104.2	171.5	-59.9	-162.5	146	0	0	119.1
676	G	46.5	Very low	45.8	Very low	62 Å²	62	106.6 Å²	106.6	64%	0.639	63%	0.634	S	S	*	*	S	Bend	trans	80.7	94.6	161.3	0	0	0	0	0	114.7	H678	G676-H678 PolarHBondContact O-N 3.07Å
677	S	49.9	Very low	44.9	Very low	58 Å²	58	108.8 Å²	108.8	41%	0.406	65%	0.645	S	S	.	*			trans	-66.4	131.5	-171.9	83.3	0	0	0	0	112.9	F679 E680 Q681	S677-F679 PolarHBondContact O-N 3.2Å; S677-E680 PolarHBondContact O-N 2.8Å; S677-E680 WeakPolarHBondContact OG-CB 3.4Å; S677-E680 PolarHBondContact OG-N 2.91Å; S677-E680 PolarHBondContact OG-OE2 2.85Å; S677-Q681 PolarHBondContact O-N 3.35Å
678	H	44.2	Very low	44.1	Very low	129 Å²	129	108.5 Å²	108.5	60%	0.597	65%	0.647	S	S	*	*	H	α-helix	trans	-65.4	-26.4	178.6	-159.3	-82.7	0	0	0	111.9	G676 Q682	G676-H678 PolarHBondContact O-N 3.07Å; H678-Q682 PolarHBondContact ND1-OE1 2.64Å; H678-Q682 WeakPolarHBondContact O-CG 3.31Å; H678-Q682 PolarHBondContact O-N 3.33Å
679	F	42.8	Very low	43.7	Very low	161 Å²	161	102.8 Å²	102.8	71%	0.706	63%	0.629	S	S	*	*	H	α-helix	trans	-65.2	-43	173.4	179.4	-100.6	0	0	0	112.5	S677 Q682 A683	S677-F679 PolarHBondContact O-N 3.2Å; F679-Q682 CarbonylContact O-C 3.56Å; F679-Q682 PolarHBondContact O-N 3.28Å; F679-Q682 VanDerWaalsContact O-N 3.14Å; F679-A683 WeakPolarHBondContact O-CB 3.47Å; F679-A683 PolarHBondContact O-N 3.46Å
680	E	44.2	Very low	43.3	Very low	129 Å²	129	104.1 Å²	104.1	60%	0.603	62%	0.621	S	S	*	*	H	α-helix	trans	-69.9	-33.6	178.5	-177	172.2	-156.9	0	0	112.2	S677 A683 S684	S677-E680 PolarHBondContact O-N 2.8Å; S677-E680 WeakPolarHBondContact OG-CB 3.4Å; S677-E680 PolarHBondContact OG-N 2.91Å; S677-E680 PolarHBondContact OG-OE2 2.85Å; E680-A683 PolarHBondContact O-N 2.94Å; E680-S684 WeakPolarHBondContact O-CB 3.34Å; E680-S684 PolarHBondContact O-N 3.01Å; E680-S684 PolarHBondContact O-OG 3.31Å
681	Q	45.6	Very low	42.5	Very low	106 Å²	106	99.1 Å²	99.1	50%	0.495	60%	0.595	S	S	.	*	H	α-helix	trans	-67.3	-35.1	168	-67	-166.2	19.7	0	0	112.5	S677 S684 S685	S677-Q681 PolarHBondContact O-N 3.35Å; Q681-S684 WeakPolarHBondContact CA-OG 3.39Å; Q681-S684 PolarHBondContact O-OG 2.88Å; Q681-S685 WeakPolarHBondContact O-CB 3.33Å; Q681-S685 PolarHBondContact O-N 3.11Å; Q681-S685 VanDerWaalsContact O-N 3.09Å; Q681-S685 PolarHBondContact O-OG 3.05Å
682	Q	46.7	Very low	42.5	Very low	111 Å²	111	96.4 Å²	96.4	52%	0.519	58%	0.579	S	S	.	*	H	α-helix	trans	-70	-44.1	172.8	-78.3	178.2	-77.7	0	0	111.7	H678 F679 S685 A686	H678-Q682 PolarHBondContact ND1-OE1 2.64Å; H678-Q682 WeakPolarHBondContact O-CG 3.31Å; H678-Q682 PolarHBondContact O-N 3.33Å; F679-Q682 CarbonylContact O-C 3.56Å; F679-Q682 PolarHBondContact O-N 3.28Å; F679-Q682 VanDerWaalsContact O-N 3.14Å; Q682-S685 WeakPolarHBondContact CA-OG 3.44Å; Q682-S685 CarbonylContact O-C 3.57Å; Q682-S685 PolarHBondContact O-N 3.27Å; Q682-S685 PolarHBondContact O-OG 3.49Å; Q682-A686 WeakPolarHBondContact O-CB 3.48Å; Q682-A686 PolarHBondContact O-N 3.25Å
683	A	41.7	Very low	42.6	Very low	48 Å²	48	90.5 Å²	90.5	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-61.4	-46.4	178	0	0	0	0	0	112	F679 E680 S685 A686 V687	F679-A683 WeakPolarHBondContact O-CB 3.47Å; F679-A683 PolarHBondContact O-N 3.46Å; E680-A683 PolarHBondContact O-N 2.94Å; A683-S685 VanDerWaalsContact C-N 3.34Å; A683-S685 PolarHBondContact O-N 3.31Å; A683-A686 CarbonylContact O-C 3.56Å; A683-A686 PolarHBondContact O-N 2.96Å; A683-A686 VanDerWaalsContact O-N 3.07Å; A683-V687 PolarHBondContact O-N 3.28Å
684	S	41.6	Very low	43	Very low	78 Å²	78	90.9 Å²	90.9	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-35.7	173.7	52	0	0	0	0	112.6	E680 Q681 A686 V687	E680-S684 WeakPolarHBondContact O-CB 3.34Å; E680-S684 PolarHBondContact O-N 3.01Å; E680-S684 PolarHBondContact O-OG 3.31Å; Q681-S684 WeakPolarHBondContact CA-OG 3.39Å; Q681-S684 PolarHBondContact O-OG 2.88Å; S684-A686 VanDerWaalsContact C-N 3.26Å; S684-A686 PolarHBondContact O-N 2.96Å; S684-V687 PolarHBondContact O-N 3.15Å
685	S	42.2	Very low	43.4	Very low	96 Å²	96	88.6 Å²	88.6	67%	0.671	50%	0.504	S	S	*	.	H	α-helix	trans	-72.1	-16.3	171.6	77.7	0	0	0	0	114.6	Q681 Q682 A683	Q681-S685 WeakPolarHBondContact O-CB 3.33Å; Q681-S685 PolarHBondContact O-N 3.11Å; Q681-S685 VanDerWaalsContact O-N 3.09Å; Q681-S685 PolarHBondContact O-OG 3.05Å; Q682-S685 WeakPolarHBondContact CA-OG 3.44Å; Q682-S685 CarbonylContact O-C 3.57Å; Q682-S685 PolarHBondContact O-N 3.27Å; Q682-S685 PolarHBondContact O-OG 3.49Å; A683-S685 VanDerWaalsContact C-N 3.34Å; A683-S685 PolarHBondContact O-N 3.31Å
686	A	39.6	Very low	43.8	Very low	71 Å²	71	84.9 Å²	84.9	59%	0.587	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.5	175.6	0	0	0	0	0	113.1	Q682 A683 S684 L688	Q682-A686 WeakPolarHBondContact O-CB 3.48Å; Q682-A686 PolarHBondContact O-N 3.25Å; A683-A686 CarbonylContact O-C 3.56Å; A683-A686 PolarHBondContact O-N 2.96Å; A683-A686 VanDerWaalsContact O-N 3.07Å; S684-A686 VanDerWaalsContact C-N 3.26Å; S684-A686 PolarHBondContact O-N 2.96Å; A686-L688 PolarHBondContact O-N 3.3Å
687	V	38.8	Very low	43.8	Very low	112 Å²	112	84.2 Å²	84.2	68%	0.679	47%	0.471	S	S	*	.			trans	-69.5	96.1	169.4	-179.5	0	0	0	0	108.8	A683 S684 D689	A683-V687 PolarHBondContact O-N 3.28Å; S684-V687 PolarHBondContact O-N 3.15Å; V687-D689 PolarHBondContact O-N 2.75Å
688	L	38.1	Very low	43.5	Very low	119 Å²	119	84.4 Å²	84.4	62%	0.623	47%	0.467	S	S	*	.			trans	-68.9	106.5	174.4	-80.3	163.8	0	0	0	110.6	A686 L690 L698	A686-L688 PolarHBondContact O-N 3.3Å; L688-L690 PolarHBondContact O-N 2.87Å; L688-L698 HydrophobicContact CD2-CD2 3.78Å
689	D	41.8	Very low	43.5	Very low	56 Å²	56	82.3 Å²	82.3	30%	0.299	46%	0.461	S	S	.	.			trans	-68.1	96.6	170.2	-176.5	34.6	0	0	0	110.4	V687 M691 R728	V687-D689 PolarHBondContact O-N 2.75Å; D689-M691 PolarHBondContact O-N 3.02Å; D689-M691 VanDerWaalsContact O-N 3.09Å; D689-M691 WeakPolarHBondContact OD1-CB 3.43Å; D689-M691 WeakPolarHBondContact OD1-CG 3.32Å; D689-R728 IonicContact OD2-CZ 3.72Å; D689-R728 IonicContact OD2-NH1 2.73Å; D689-R728 PolarHBondContact OD2-NH1 2.96Å; D689-R728 IonicContact OD2-NH2 3.55Å; D689-R728 PolarHBondContact OD2-NH2 3.31Å
690	L	42.3	Very low	43.9	Very low	88 Å²	88	80.3 Å²	80.3	46%	0.461	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	17.6	-177.1	-80.6	167.1	0	0	0	114	P501 L688	P501-L690 HydrophobicContact CG-CD1 4.32Å; L688-L690 PolarHBondContact O-N 2.87Å
691	M	41	Very low	43.9	Very low	47 Å²	47	81.2 Å²	81.2	23%	0.232	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.6	-170.2	-80.6	-165.8	77.6	0	0	116.6	E235 M236 G237 D689	E235-M691 WeakPolarHBondContact O-CG 3.43Å; M236-M691 HydrophobicContact CB-CE 3.64Å; M236-M691 HydrophobicContact CB-SD 4.33Å; M236-M691 HydrophobicContact CE-CE 4.34Å; M236-M691 HydrophobicContact CG-CE 3.96Å; M236-M691 VanDerWaalsContact O-CE 3.24Å; M236-M691 WeakPolarHBondContact O-CE 3.38Å; G237-M691 PolarHBondContact N-SD 2.97Å; G237-M691 VanDerWaalsContact N-SD 3.39Å; D689-M691 PolarHBondContact O-N 3.02Å; D689-M691 VanDerWaalsContact O-N 3.09Å; D689-M691 WeakPolarHBondContact OD1-CB 3.43Å; D689-M691 WeakPolarHBondContact OD1-CG 3.32Å
692	G	44.3	Very low	44	Very low	25 Å²	25	83.2 Å²	83.2	26%	0.258	46%	0.464	S	S	.	.			trans	-100.3	126	-175	0	0	0	0	0	113.4	E694	G692-E694 PolarHBondContact O-N 3.32Å
693	D	43.8	Very low	44.4	Very low	44 Å²	44	85.1 Å²	85.1	24%	0.235	47%	0.471	C	S	.	.	S	Bend	trans	-71.2	29.4	163.3	-69.2	-46.2	0	0	0	112.2	K329 S351	K329-D693 HydrophobicContact CD-CB 4.13Å; K329-D693 PolarHBondContact NZ-O 3.29Å; S351-D693 WeakPolarHBondContact CB-OD2 3.42Å; S351-D693 PolarHBondContact OG-OD2 3.47Å
694	E	46.2	Very low	44.6	Very low	93 Å²	93	90.7 Å²	90.7	44%	0.435	49%	0.492	S	S	.	.	S	Bend	trans	-149.7	123.4	-170.1	-65.9	-174	152.4	0	0	112.6	G692 D696 Q697	G692-E694 PolarHBondContact O-N 3.32Å; E694-D696 VanDerWaalsContact C-N 3.27Å; E694-D696 PolarHBondContact O-N 3.48Å; E694-Q697 HydrophobicContact CB-CG 4.31Å; E694-Q697 PolarHBondContact O-N 2.87Å; E694-Q697 PolarHBondContact OE2-NE2 3.41Å
695	G	48.4	Very low	45.7	Very low	25 Å²	25	90.7 Å²	90.7	26%	0.258	49%	0.485	S	S	.	.	H	α-helix	trans	-65.8	-21.6	178.8	0	0	0	0	0	115.3	L698 N699	G695-L698 PolarHBondContact O-N 3.26Å; G695-N699 PolarHBondContact O-N 3.38Å
696	D	50.5	Low	46.2	Very low	124 Å²	124	95.8 Å²	95.8	66%	0.663	49%	0.489	S	S	*	.	H	α-helix	trans	-74.4	-26.6	179.6	-74.7	-24.7	0	0	0	113.1	E694 N699 Q700	E694-D696 VanDerWaalsContact C-N 3.27Å; E694-D696 PolarHBondContact O-N 3.48Å; D696-N699 PolarHBondContact O-N 3.09Å; D696-Q700 WeakPolarHBondContact O-CG 3.4Å; D696-Q700 PolarHBondContact O-N 3.06Å; D696-Q700 PolarHBondContact O-NE2 3.48Å
697	Q	46.1	Very low	47.7	Very low	48 Å²	48	98.4 Å²	98.4	22%	0.224	48%	0.484	C	S	.	.	H	α-helix	trans	-69.5	-39	173.2	-60.7	-171.5	36.2	0	0	110.6	E694 N699 Q700	E694-Q697 HydrophobicContact CB-CG 4.31Å; E694-Q697 PolarHBondContact O-N 2.87Å; E694-Q697 PolarHBondContact OE2-NE2 3.41Å; Q697-N699 PolarHBondContact O-N 3.29Å; Q697-Q700 PolarHBondContact O-N 2.93Å
698	L	44.4	Very low	49.4	Very low	63 Å²	63	95.3 Å²	95.3	33%	0.33	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-37.6	174.3	-79.9	158.3	0	0	0	112.9	L688 G695	L688-L698 HydrophobicContact CD2-CD2 3.78Å; G695-L698 PolarHBondContact O-N 3.26Å
699	N	43.4	Very low	50.2	Low	85 Å²	85	100.5 Å²	100.5	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-76.8	-24.1	178.7	-82.1	-48.9	0	0	0	113.9	G695 D696 Q697 H701 K702	G695-N699 PolarHBondContact O-N 3.38Å; D696-N699 PolarHBondContact O-N 3.09Å; Q697-N699 PolarHBondContact O-N 3.29Å; N699-H701 PolarHBondContact O-N 2.89Å; N699-H701 VanDerWaalsContact O-N 3.13Å; N699-K702 PolarHBondContact O-N 3.37Å; N699-K702 VanDerWaalsContact O-N 3.11Å; N699-K702 PolarHBondContact OD1-NZ 2.74Å
700	Q	51.3	Low	51.3	Low	118 Å²	118	107.5 Å²	107.5	55%	0.551	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.7	179	-80.8	174.9	61.5	0	0	114.3	D696 Q697 K702	D696-Q700 WeakPolarHBondContact O-CG 3.4Å; D696-Q700 PolarHBondContact O-N 3.06Å; D696-Q700 PolarHBondContact O-NE2 3.48Å; Q697-Q700 PolarHBondContact O-N 2.93Å; Q700-K702 VanDerWaalsContact C-N 3.35Å
701	H	44.7	Very low	52.3	Low	148 Å²	148	111 Å²	111	69%	0.685	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.4	177.4	-78.4	-108.5	0	0	0	114.1	N699 K703	N699-H701 PolarHBondContact O-N 2.89Å; N699-H701 VanDerWaalsContact O-N 3.13Å; H701-K703 VanDerWaalsContact C-N 3.27Å; H701-K703 PolarHBondContact O-N 3.33Å
702	K	47.8	Very low	53.8	Low	148 Å²	148	116.9 Å²	116.9	64%	0.643	53%	0.534	S	S	*	.	S	Bend	trans	-74.9	77	171.5	-70.3	173.6	-178	158.7	0	110.7	N699 Q700 I704	N699-K702 PolarHBondContact O-N 3.37Å; N699-K702 VanDerWaalsContact O-N 3.11Å; N699-K702 PolarHBondContact OD1-NZ 2.74Å; Q700-K702 VanDerWaalsContact C-N 3.35Å; K702-I704 PolarHBondContact O-N 3.36Å
703	K	54	Low	54.8	Low	152 Å²	152	122.7 Å²	122.7	66%	0.661	55%	0.548	S	S	*	.			trans	-56.8	111.4	177.8	-69.3	-163.1	175.9	-161.4	0	110.6	H701 M705 E721	H701-K703 VanDerWaalsContact C-N 3.27Å; H701-K703 PolarHBondContact O-N 3.33Å; K703-M705 PolarHBondContact O-N 3.11Å; K703-E721 IonicContact NZ-OE2 2.79Å
704	I	46.3	Very low	55.8	Low	165 Å²	165	126.3 Å²	126.3	85%	0.846	56%	0.562	S	S	*	*			trans	-67	115.3	-179.7	-60.5	170.9	0	0	0	109.4	K702	K702-I704 PolarHBondContact O-N 3.36Å
705	M	64.6	Low	56.6	Low	78 Å²	78	124 Å²	124	38%	0.384	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-77.5	128	176.6	-66.8	-67.9	-69	0	0	110.5	K703 F714 K716	K703-M705 PolarHBondContact O-N 3.11Å; M705-F714 HydrophobicContact CB-CB 4.11Å; M705-F714 HydrophobicContact CB-CD1 3.87Å; M705-F714 HydrophobicContact CB-CG 4.28Å; M705-F714 HydrophobicContact CE-CB 3.77Å; M705-K716 HydrophobicContact CE-CG 3.91Å; M705-K716 HydrophobicContact SD-CD 4.45Å; M705-K716 HydrophobicContact SD-CG 3.49Å; M705-K716 WeakPolarHBondContact SD-CG 3.44Å
706	R	53.2	Low	57	Low	202 Å²	202	128.4 Å²	128.4	76%	0.762	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97	133.1	178.3	-173.4	176	177.7	-178	-0	111.2	D708 F714 V715	R706-D708 PolarHBondContact O-N 3.38Å; R706-F714 WeakPolarHBondContact O-CA 3.19Å; R706-V715 PolarHBondContact N-O 3.2Å; R706-V715 PolarHBondContact O-N 3.28Å
707	W	71.6	Confident	56.9	Low	127 Å²	127	130.3 Å²	130.3	48%	0.481	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.7	118.2	172.8	-176.9	-106	0	0	0	111.2	K712 F714	W707-K712 VanDerWaalsContact CH2-C 3.42Å; W707-K712 WeakPolarHBondContact CH2-O 3Å; W707-K712 HydrophobicContact CZ2-CB 4.41Å; W707-F714 HydrophobicContact CB-CD1 4.24Å; W707-F714 HydrophobicContact CB-CE1 3.95Å; W707-F714 HydrophobicContact CB-CZ 4.47Å; W707-F714 HydrophobicContact CE3-CD1 4.25Å; W707-F714 AromaticContact CE3-CD2 3.65Å; W707-F714 HydrophobicContact CE3-CD2 3.65Å; W707-F714 HydrophobicContact CE3-CE1 4.18Å; W707-F714 AromaticContact CE3-CE2 3.56Å; W707-F714 HydrophobicContact CE3-CE2 3.56Å; W707-F714 AromaticContact CE3-CG 3.99Å; W707-F714 HydrophobicContact CE3-CG 3.99Å; W707-F714 AromaticContact CE3-CZ 3.84Å; W707-F714 HydrophobicContact CE3-CZ 3.84Å; W707-F714 AromaticContact CZ3-CD2 3.9Å; W707-F714 HydrophobicContact CZ3-CD2 3.9Å; W707-F714 AromaticContact CZ3-CE2 3.87Å; W707-F714 HydrophobicContact CZ3-CE2 3.87Å
708	D	72.8	Confident	56.6	Low	47 Å²	47	133.2 Å²	133.2	25%	0.251	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	107.7	172.5	-177.5	-20.7	0	0	0	109.7	R706 K710 R711 K712 R713 V715	R706-D708 PolarHBondContact O-N 3.38Å; D708-K710 VanDerWaalsContact C-N 3.27Å; D708-K710 PolarHBondContact O-N 2.86Å; D708-K710 WeakPolarHBondContact OD1-CA 3.35Å; D708-K710 PolarHBondContact OD1-N 3.47Å; D708-R711 HydrophobicContact CB-CB 4.16Å; D708-R711 PolarHBondContact O-N 3.39Å; D708-R711 PolarHBondContact OD1-N 3.21Å; D708-R711 WeakPolarHBondContact OD2-CB 3.44Å; D708-R711 WeakPolarHBondContact OD2-CD 3.41Å; D708-R711 WeakPolarHBondContact OD2-CG 3.38Å; D708-K712 WeakPolarHBondContact O-CA 3.42Å; D708-K712 PolarHBondContact O-N 3.04Å; D708-R713 PolarHBondContact N-O 3.01Å; D708-V715 HydrophobicContact CB-CB 4.4Å; D708-V715 HydrophobicContact CB-CG2 3.69Å
709	R	56.6	Low	56.3	Low	228 Å²	228	133.9 Å²	133.9	86%	0.86	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-25.4	178.7	-90.3	-174.8	166.8	-176.6	-4.9	114.2
710	K	64.4	Low	55.8	Low	203 Å²	203	137.9 Å²	137.9	88%	0.883	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-40.3	175.9	-83.7	-168.1	171.5	-171.4	0	111.6	D708	D708-K710 VanDerWaalsContact C-N 3.27Å; D708-K710 PolarHBondContact O-N 2.86Å; D708-K710 WeakPolarHBondContact OD1-CA 3.35Å; D708-K710 PolarHBondContact OD1-N 3.47Å
711	R	62.8	Low	55.1	Low	161 Å²	161	137.6 Å²	137.6	61%	0.608	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	1.2	-177	-56.9	-180	102.8	163.7	6.7	114	D708 R713	D708-R711 HydrophobicContact CB-CB 4.16Å; D708-R711 PolarHBondContact O-N 3.39Å; D708-R711 PolarHBondContact OD1-N 3.21Å; D708-R711 WeakPolarHBondContact OD2-CB 3.44Å; D708-R711 WeakPolarHBondContact OD2-CD 3.41Å; D708-R711 WeakPolarHBondContact OD2-CG 3.38Å; R711-R713 HydrophobicContact CB-CG 4.21Å; R711-R713 PolarHBondContact O-N 3.29Å
712	K	72.1	Confident	54.7	Low	170 Å²	170	139.1 Å²	139.1	74%	0.739	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.5	36	-179.8	-66.4	-174.1	178.3	179.3	0	113.7	W707 D708	W707-K712 VanDerWaalsContact CH2-C 3.42Å; W707-K712 WeakPolarHBondContact CH2-O 3Å; W707-K712 HydrophobicContact CZ2-CB 4.41Å; D708-K712 WeakPolarHBondContact O-CA 3.42Å; D708-K712 PolarHBondContact O-N 3.04Å
713	R	65.8	Low	54	Low	148 Å²	148	140 Å²	140	56%	0.558	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-147.6	160.5	-179.9	71.9	-171.1	-170	-179.6	4.8	111.3	D708 R711 V715	D708-R713 PolarHBondContact N-O 3.01Å; R711-R713 HydrophobicContact CB-CG 4.21Å; R711-R713 PolarHBondContact O-N 3.29Å; R713-V715 HydrophobicContact CG-CG2 3.9Å
714	F	65.1	Low	53.3	Low	120 Å²	120	136.8 Å²	136.8	53%	0.526	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.4	130.8	168.8	-75.6	-77.3	0	0	0	110.2	M705 R706 W707	M705-F714 HydrophobicContact CB-CB 4.11Å; M705-F714 HydrophobicContact CB-CD1 3.87Å; M705-F714 HydrophobicContact CB-CG 4.28Å; M705-F714 HydrophobicContact CE-CB 3.77Å; R706-F714 WeakPolarHBondContact O-CA 3.19Å; W707-F714 HydrophobicContact CB-CD1 4.24Å; W707-F714 HydrophobicContact CB-CE1 3.95Å; W707-F714 HydrophobicContact CB-CZ 4.47Å; W707-F714 HydrophobicContact CE3-CD1 4.25Å; W707-F714 AromaticContact CE3-CD2 3.65Å; W707-F714 HydrophobicContact CE3-CD2 3.65Å; W707-F714 HydrophobicContact CE3-CE1 4.18Å; W707-F714 AromaticContact CE3-CE2 3.56Å; W707-F714 HydrophobicContact CE3-CE2 3.56Å; W707-F714 AromaticContact CE3-CG 3.99Å; W707-F714 HydrophobicContact CE3-CG 3.99Å; W707-F714 AromaticContact CE3-CZ 3.84Å; W707-F714 HydrophobicContact CE3-CZ 3.84Å; W707-F714 AromaticContact CZ3-CD2 3.9Å; W707-F714 HydrophobicContact CZ3-CD2 3.9Å; W707-F714 AromaticContact CZ3-CE2 3.87Å; W707-F714 HydrophobicContact CZ3-CE2 3.87Å
715	V	62.2	Low	53.4	Low	43 Å²	43	136 Å²	136	26%	0.261	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	133.1	-174.9	-179.5	0	0	0	0	109.6	R706 D708 R713	R706-V715 PolarHBondContact N-O 3.2Å; R706-V715 PolarHBondContact O-N 3.28Å; D708-V715 HydrophobicContact CB-CB 4.4Å; D708-V715 HydrophobicContact CB-CG2 3.69Å; R713-V715 HydrophobicContact CG-CG2 3.9Å
716	K	57.5	Low	52.8	Low	118 Å²	118	138.1 Å²	138.1	51%	0.513	63%	0.632	S	S	.	*			trans	-76.2	147.3	171	-65.8	174.2	-178	172.6	0	109.2	M705 S718	M705-K716 HydrophobicContact CE-CG 3.91Å; M705-K716 HydrophobicContact SD-CD 4.45Å; M705-K716 HydrophobicContact SD-CG 3.49Å; M705-K716 WeakPolarHBondContact SD-CG 3.44Å; K716-S718 PolarHBondContact O-N 2.91Å
717	E	47.8	Very low	52.7	Low	165 Å²	165	130.6 Å²	130.6	77%	0.771	61%	0.606	S	S	*	*			trans	-78.1	55.6	178.9	-163.9	166.6	-164.6	0	0	112.8	G719	E717-G719 PolarHBondContact O-N 3.22Å
718	S	40.9	Very low	51.6	Low	109 Å²	109	127.7 Å²	127.7	76%	0.762	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	110.6	175.3	53.5	0	0	0	0	110.6	K716	K716-S718 PolarHBondContact O-N 2.91Å
719	G	38.7	Very low	50.6	Low	77 Å²	77	127.3 Å²	127.3	79%	0.794	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.4	-3.5	172.8	0	0	0	0	0	117.4	E717	E717-G719 PolarHBondContact O-N 3.22Å
720	K	31.8	Very low	50.1	Low	169 Å²	169	119.7 Å²	119.7	74%	0.735	57%	0.569	S	S	*	*	S	Bend	trans	-135	0.3	176.6	-74.5	-173.4	176.7	177.1	0	115.9
721	E	37.2	Very low	49.1	Very low	112 Å²	112	114.1 Å²	114.1	52%	0.523	56%	0.556	S	S	.	*			trans	-82.3	-20.9	-175.6	-64.1	-154.4	104.6	0	0	114.4	K703 Q723 N724	K703-E721 IonicContact NZ-OE2 2.79Å; E721-Q723 VanDerWaalsContact C-N 3.33Å; E721-Q723 PolarHBondContact O-N 3.1Å; E721-N724 CarbonylContact O-C 3.52Å; E721-N724 WeakPolarHBondContact O-CA 3.4Å; E721-N724 PolarHBondContact O-N 2.98Å
722	E	36.5	Very low	48.3	Very low	180 Å²	180	107.7 Å²	107.7	84%	0.841	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-62.2	-34.1	-173.4	-63.9	-168	140.6	0	0	114.4	N724	E722-N724 PolarHBondContact O-N 3.36Å
723	Q	32.8	Very low	47	Very low	166 Å²	166	106.1 Å²	106.1	78%	0.776	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-76.5	-8.6	174	-64.8	-173.1	-4.9	0	0	113.2	E721 N737	E721-Q723 VanDerWaalsContact C-N 3.33Å; E721-Q723 PolarHBondContact O-N 3.1Å; Q723-N737 PolarHBondContact O-ND2 3.14Å
724	N	39.3	Very low	46	Very low	84 Å²	84	102.4 Å²	102.4	45%	0.449	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-115.3	34.7	-176.4	-73.4	-61.4	0	0	0	112.7	E721 E722 K726	E721-N724 CarbonylContact O-C 3.52Å; E721-N724 WeakPolarHBondContact O-CA 3.4Å; E721-N724 PolarHBondContact O-N 2.98Å; E722-N724 PolarHBondContact O-N 3.36Å; N724-K726 PolarHBondContact O-N 3.47Å
725	K	47.2	Very low	45.1	Very low	148 Å²	148	99.6 Å²	99.6	64%	0.643	52%	0.518	S	S	*	.			trans	-49.2	115.3	167.1	-74.8	-171.2	176.9	-174.5	0	109.9
726	K	51.9	Low	44.1	Very low	124 Å²	124	103.4 Å²	103.4	54%	0.539	53%	0.533	S	S	.	.			trans	-81.5	124.7	-179.7	-71.4	172.1	-178.4	174.9	0	109	N724 I734	N724-K726 PolarHBondContact O-N 3.47Å; K726-I734 HydrophobicContact CB-CG2 3.95Å; K726-I734 HydrophobicContact CD-CG2 4Å; K726-I734 HydrophobicContact CG-CG2 3.89Å
727	I	51.3	Low	43.3	Very low	43 Å²	43	101.2 Å²	101.2	22%	0.221	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.7	172.1	-58.5	178.6	0	0	0	108.1	V735	I727-V735 PolarHBondContact N-O 3.12Å; I727-V735 PolarHBondContact O-N 3.37Å
728	R	48.5	Very low	42.8	Very low	67 Å²	67	102.1 Å²	102.1	25%	0.253	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.5	169.4	-162.6	-175.7	-162	174.3	8.9	108.1	D689	D689-R728 IonicContact OD2-CZ 3.72Å; D689-R728 IonicContact OD2-NH1 2.73Å; D689-R728 PolarHBondContact OD2-NH1 2.96Å; D689-R728 IonicContact OD2-NH2 3.55Å; D689-R728 PolarHBondContact OD2-NH2 3.31Å
729	T	52	Low	42.8	Very low	38 Å²	38	106.6 Å²	106.6	23%	0.233	53%	0.533	C	S	.	.			trans	-82.9	162.7	172.6	54.9	0	0	0	0	110.8	S731 G732 Q733 V735	T729-S731 PolarHBondContact O-N 3.31Å; T729-S731 PolarHBondContact OG1-OG 3.36Å; T729-S731 VanDerWaalsContact OG1-OG 3.08Å; T729-G732 PolarHBondContact O-N 3.26Å; T729-Q733 PolarHBondContact N-O 2.99Å; T729-Q733 PolarHBondContact OG1-N 3.41Å; T729-Q733 PolarHBondContact OG1-O 2.9Å; T729-V735 HydrophobicContact CG2-CG2 3.93Å
730	E	45.7	Very low	43.3	Very low	68 Å²	68	109 Å²	109	32%	0.318	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.6	176.2	63.2	-172.7	-128.5	0	0	113.9	G183 T204 G732	G183-E730 WeakPolarHBondContact CA-OE1 3.41Å; G183-E730 WeakPolarHBondContact CA-OE2 3.11Å; G183-E730 PolarHBondContact N-OE1 3.16Å; G183-E730 VanDerWaalsContact N-OE1 3.09Å; G183-E730 PolarHBondContact N-OE2 2.93Å; T204-E730 WeakPolarHBondContact CB-OE2 3.27Å; T204-E730 PolarHBondContact OG1-OE2 3.12Å; E730-G732 VanDerWaalsContact C-N 3.3Å
731	S	45.3	Very low	44.4	Very low	87 Å²	87	106.7 Å²	106.7	61%	0.608	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	11.2	168.6	56.2	0	0	0	0	113.6	T729 Q733	T729-S731 PolarHBondContact O-N 3.31Å; T729-S731 PolarHBondContact OG1-OG 3.36Å; T729-S731 VanDerWaalsContact OG1-OG 3.08Å; S731-Q733 PolarHBondContact O-N 3.39Å; S731-Q733 VanDerWaalsContact O-N 3.15Å
732	G	45.7	Very low	45.9	Very low	26 Å²	26	104.4 Å²	104.4	27%	0.268	50%	0.5	S	S	.	.	S	Bend	trans	76.7	-11.8	-179.7	0	0	0	0	0	115.2	T729 E730	T729-G732 PolarHBondContact O-N 3.26Å; E730-G732 VanDerWaalsContact C-N 3.3Å
733	Q	44	Very low	47.9	Very low	137 Å²	137	101.3 Å²	101.3	64%	0.64	48%	0.484	S	S	*	.			trans	-68.1	137.5	-179.5	-68.2	-175.1	-14.4	0	0	112.1	T729 S731	T729-Q733 PolarHBondContact N-O 2.99Å; T729-Q733 PolarHBondContact OG1-N 3.41Å; T729-Q733 PolarHBondContact OG1-O 2.9Å; S731-Q733 PolarHBondContact O-N 3.39Å; S731-Q733 VanDerWaalsContact O-N 3.15Å
734	I	45.2	Very low	50.2	Low	69 Å²	69	94.8 Å²	94.8	35%	0.354	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.6	177.2	-67.3	165.9	0	0	0	109.1	K726	K726-I734 HydrophobicContact CB-CG2 3.95Å; K726-I734 HydrophobicContact CD-CG2 4Å; K726-I734 HydrophobicContact CG-CG2 3.89Å
735	V	46.9	Very low	52.3	Low	61 Å²	61	94.6 Å²	94.6	37%	0.37	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122	176	-176.8	0	0	0	0	109.7	I727 T729	I727-V735 PolarHBondContact N-O 3.12Å; I727-V735 PolarHBondContact O-N 3.37Å; T729-V735 HydrophobicContact CG2-CG2 3.93Å
736	H	39.5	Very low	54	Low	124 Å²	124	91.7 Å²	91.7	57%	0.574	44%	0.437	S	S	*	.			trans	-86.9	133.9	175.5	-71.7	-69	0	0	0	111.9	K738	H736-K738 PolarHBondContact O-N 2.86Å
737	N	41.4	Very low	55.6	Low	71 Å²	71	86.5 Å²	86.5	38%	0.38	41%	0.414	S	S	.	.			trans	-73.1	41.9	-179.5	-165.7	33.5	0	0	0	114.3	Q723 K739	Q723-N737 PolarHBondContact O-ND2 3.14Å; N737-K739 PolarHBondContact O-N 3.34Å
738	K	36.8	Very low	57.3	Low	184 Å²	184	86 Å²	86	80%	0.8	41%	0.411	S	S	*	.	S	Bend	trans	-86.1	96.6	-178.4	-85.8	-177.4	175.1	171.9	0	111.7	H736	H736-K738 PolarHBondContact O-N 2.86Å
739	K	41.7	Very low	59	Low	203 Å²	203	89.5 Å²	89.5	88%	0.883	43%	0.428	S	S	*	.	S	Bend	trans	49.2	83.3	172.9	-69.2	-168.8	174.9	-171.8	0	113.3	N737 K741	N737-K739 PolarHBondContact O-N 3.34Å; K739-K741 PolarHBondContact O-N 3.14Å; K739-K741 VanDerWaalsContact O-N 3.1Å
740	R	48.3	Very low	60.6	Low	127 Å²	127	93.3 Å²	93.3	48%	0.479	44%	0.441	S	S	.	.			trans	-48.3	117.9	173.1	-60.8	-173.1	-173.1	-166.6	2.4	111.1	T213	T213-R740 PolarHBondContact O-NH1 3.03Å
741	K	55	Low	62.4	Low	121 Å²	121	95.8 Å²	95.8	53%	0.526	45%	0.448	S	S	.	.			trans	-66.9	122.9	137.8	-81.7	167.7	143.6	-88.8	0	105.1	K739 F743 E746	K739-K741 PolarHBondContact O-N 3.14Å; K739-K741 VanDerWaalsContact O-N 3.1Å; K741-F743 VanDerWaalsContact C-N 3.27Å; K741-F743 WeakPolarHBondContact O-CD2 3.15Å; K741-F743 PolarHBondContact O-N 2.89Å; K741-E746 IonicContact NZ-OE1 3.26Å; K741-E746 PolarHBondContact NZ-OE1 3.16Å; K741-E746 IonicContact NZ-OE2 3.83Å; K741-E746 PolarHBondContact NZ-OE2 3.41Å
742	N	69.3	Low	63.9	Low	64 Å²	64	102.4 Å²	102.4	34%	0.342	46%	0.46	S	S	.	.			trans	-74	89.6	172.7	-72.9	-10.4	0	0	0	107.2	Y744 E745 E746	N742-Y744 PolarHBondContact O-N 2.68Å; N742-E745 HydrophobicContact CB-CB 3.86Å; N742-E745 HydrophobicContact CB-CG 3.87Å; N742-E745 PolarHBondContact ND2-OE1 3.39Å; N742-E745 WeakPolarHBondContact O-CA 3.5Å; N742-E745 WeakPolarHBondContact O-CB 3.48Å; N742-E745 PolarHBondContact O-N 2.86Å; N742-E746 PolarHBondContact O-N 2.93Å
743	F	77.8	Confident	65.3	Low	116 Å²	116	103.3 Å²	103.3	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-53.3	-37	-179	-73	-80.8	0	0	0	111.6	F191 K741 E746 W747	F191-F743 HydrophobicContact CE2-CB 4.29Å; F191-F743 HydrophobicContact CZ-CB 4.48Å; K741-F743 VanDerWaalsContact C-N 3.27Å; K741-F743 WeakPolarHBondContact O-CD2 3.15Å; K741-F743 PolarHBondContact O-N 2.89Å; F743-E746 PolarHBondContact O-N 3.25Å; F743-W747 VanDerWaalsContact O-CB 3.23Å; F743-W747 WeakPolarHBondContact O-CB 3.46Å; F743-W747 PolarHBondContact O-N 3.43Å
744	Y	80.8	Confident	65.8	Low	29 Å²	29	105.3 Å²	105.3	11%	0.114	47%	0.469	C	S	.	.	H	α-helix	trans	-64.4	-35.8	173.4	179.9	-129.1	0	0	0	113.9	F191 H195 D214 M215 N742 W747 K748	F191-Y744 HydrophobicContact CB-CD2 4.38Å; F191-Y744 HydrophobicContact CD1-CD2 4.11Å; F191-Y744 HydrophobicContact CD2-CD2 4.18Å; F191-Y744 HydrophobicContact CE1-CD2 4.41Å; F191-Y744 HydrophobicContact CE2-CD2 4.49Å; F191-Y744 AromaticContact CG-CD2 3.98Å; F191-Y744 HydrophobicContact CG-CD2 3.98Å; H195-Y744 AromaticContact NE2-CE2 3.4Å; H195-Y744 WeakPolarHBondContact NE2-CE2 3.45Å; H195-Y744 AromaticContact NE2-CZ 3.69Å; H195-Y744 PolarHBondContact NE2-OH 2.75Å; D214-Y744 WeakPolarHBondContact O-CD1 3.47Å; M215-Y744 HydrophobicContact CB-CD1 4.26Å; M215-Y744 HydrophobicContact CB-CE1 4.01Å; M215-Y744 HydrophobicContact CB-CE2 4.45Å; M215-Y744 HydrophobicContact CE-CD2 4.42Å; M215-Y744 HydrophobicContact CE-CE2 3.59Å; M215-Y744 HydrophobicContact CG-CD1 4.31Å; M215-Y744 HydrophobicContact CG-CD2 3.88Å; M215-Y744 HydrophobicContact CG-CE1 4.26Å; M215-Y744 HydrophobicContact CG-CE2 3.87Å; M215-Y744 HydrophobicContact CG-CG 4.08Å; M215-Y744 WeakPolarHBondContact O-CE1 3.23Å; M215-Y744 HydrophobicContact SD-CE2 4.46Å; N742-Y744 PolarHBondContact O-N 2.68Å; Y744-W747 HydrophobicContact CD2-CE3 4.26Å; Y744-W747 HydrophobicContact CE2-CE3 4.36Å; Y744-W747 HydrophobicContact CE2-CZ3 4.48Å; Y744-K748 HydrophobicContact CD2-CG 4.49Å; Y744-K748 HydrophobicContact CE1-CD 4.25Å; Y744-K748 HydrophobicContact CE2-CD 4.3Å; Y744-K748 HydrophobicContact CE2-CG 4.24Å; Y744-K748 VanDerWaalsContact CZ-CE 3.45Å; Y744-K748 WeakPolarHBondContact O-CB 3.39Å; Y744-K748 PolarHBondContact O-N 2.74Å; Y744-K748 WeakPolarHBondContact OH-CE 3.28Å; Y744-K748 PolarHBondContact OH-NZ 2.68Å
745	E	83.3	Confident	66.2	Low	80 Å²	80	107.4 Å²	107.4	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-71.5	-41.8	171.5	-79.8	-174.3	-123.6	0	0	112.3	N742 W747 K748 K749	N742-E745 HydrophobicContact CB-CB 3.86Å; N742-E745 HydrophobicContact CB-CG 3.87Å; N742-E745 PolarHBondContact ND2-OE1 3.39Å; N742-E745 WeakPolarHBondContact O-CA 3.5Å; N742-E745 WeakPolarHBondContact O-CB 3.48Å; N742-E745 PolarHBondContact O-N 2.86Å; E745-W747 PolarHBondContact O-N 3.21Å; E745-K748 PolarHBondContact O-N 3.42Å; E745-K749 WeakPolarHBondContact O-CB 3.3Å; E745-K749 VanDerWaalsContact O-CD 3.3Å; E745-K749 WeakPolarHBondContact O-CD 3.41Å; E745-K749 WeakPolarHBondContact O-CG 3.33Å; E745-K749 PolarHBondContact O-N 2.77Å; E745-K749 IonicContact OE2-NZ 2.77Å; E745-K749 PolarHBondContact OE2-NZ 2.87Å
746	E	83.3	Confident	66.2	Low	86 Å²	86	108.7 Å²	108.7	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-60.9	-39.2	175.4	-66.3	-170.2	171.2	0	0	109.9	K741 N742 F743 K750	K741-E746 IonicContact NZ-OE1 3.26Å; K741-E746 PolarHBondContact NZ-OE1 3.16Å; K741-E746 IonicContact NZ-OE2 3.83Å; K741-E746 PolarHBondContact NZ-OE2 3.41Å; N742-E746 PolarHBondContact O-N 2.93Å; F743-E746 PolarHBondContact O-N 3.25Å; E746-K750 VanDerWaalsContact O-CB 3.22Å; E746-K750 WeakPolarHBondContact O-CB 3.48Å; E746-K750 PolarHBondContact O-N 3.43Å
747	W	86.8	Confident	66	Low	15 Å²	15	105.3 Å²	105.3	6%	0.057	50%	0.497	C	S	.	.	H	α-helix	trans	-66	-50.2	172.9	-176	90.6	0	0	0	113	E188 F191 A192 H195 F743 Y744 E745 K749 K750 Y751 V753	E188-W747 PolarHBondContact O-NE1 3.32Å; F191-W747 HydrophobicContact CB-CD2 3.86Å; F191-W747 HydrophobicContact CB-CE3 4.05Å; F191-W747 HydrophobicContact CB-CG 4.42Å; F191-W747 HydrophobicContact CB-CH2 4.27Å; F191-W747 HydrophobicContact CB-CZ2 4.06Å; F191-W747 HydrophobicContact CB-CZ3 4.26Å; F191-W747 HydrophobicContact CD2-CB 3.97Å; F191-W747 HydrophobicContact CD2-CD2 4.08Å; F191-W747 AromaticContact CD2-CG 3.78Å; F191-W747 HydrophobicContact CD2-CG 3.78Å; F191-W747 HydrophobicContact CE2-CB 4.4Å; F191-W747 HydrophobicContact CG-CD2 4.45Å; A192-W747 HydrophobicContact CB-CZ2 3.95Å; H195-W747 AromaticContact CD2-CH2 3.53Å; H195-W747 AromaticContact CD2-CZ3 3.3Å; H195-W747 WeakPolarHBondContact CD2-CZ3 3.16Å; H195-W747 AromaticContact NE2-CZ3 3.57Å; F743-W747 VanDerWaalsContact O-CB 3.23Å; F743-W747 WeakPolarHBondContact O-CB 3.46Å; F743-W747 PolarHBondContact O-N 3.43Å; Y744-W747 HydrophobicContact CD2-CE3 4.26Å; Y744-W747 HydrophobicContact CE2-CE3 4.36Å; Y744-W747 HydrophobicContact CE2-CZ3 4.48Å; E745-W747 PolarHBondContact O-N 3.21Å; W747-K749 VanDerWaalsContact C-N 3.26Å; W747-K749 PolarHBondContact O-N 3.29Å; W747-K750 WeakPolarHBondContact O-CB 3.2Å; W747-K750 PolarHBondContact O-N 2.98Å; W747-Y751 AromaticContact CD1-CD2 3.48Å; W747-Y751 VanDerWaalsContact CD1-CD2 3.48Å; W747-Y751 AromaticContact CD1-CE2 3.46Å; W747-Y751 VanDerWaalsContact CD1-CE2 3.46Å; W747-Y751 AromaticContact CD2-CD2 3.99Å; W747-Y751 HydrophobicContact CD2-CD2 3.99Å; W747-Y751 AromaticContact CE2-CD2 3.67Å; W747-Y751 AromaticContact CG-CD2 3.89Å; W747-Y751 HydrophobicContact CG-CD2 3.89Å; W747-Y751 HydrophobicContact CG-CE2 4.28Å; W747-Y751 HydrophobicContact CZ2-CD2 4.32Å; W747-Y751 AromaticContact NE1-CD2 3.35Å; W747-Y751 AromaticContact NE1-CE2 3.39Å; W747-Y751 WeakPolarHBondContact O-CD2 3.47Å; W747-Y751 PolarHBondContact O-N 3.07Å; W747-V753 HydrophobicContact CH2-CG2 3.84Å; W747-V753 HydrophobicContact CZ3-CB 4.18Å; W747-V753 HydrophobicContact CZ3-CG2 3.78Å
748	K	85.6	Confident	66	Low	32 Å²	32	107.1 Å²	107.1	14%	0.139	51%	0.513	C	S	.	.	H	α-helix	trans	-55.7	-41.5	175.3	-86.8	-175.1	161.2	175	0	111.8	Y744 E745 R752 V753 D755	Y744-K748 HydrophobicContact CD2-CG 4.49Å; Y744-K748 HydrophobicContact CE1-CD 4.25Å; Y744-K748 HydrophobicContact CE2-CD 4.3Å; Y744-K748 HydrophobicContact CE2-CG 4.24Å; Y744-K748 VanDerWaalsContact CZ-CE 3.45Å; Y744-K748 WeakPolarHBondContact O-CB 3.39Å; Y744-K748 PolarHBondContact O-N 2.74Å; Y744-K748 WeakPolarHBondContact OH-CE 3.28Å; Y744-K748 PolarHBondContact OH-NZ 2.68Å; E745-K748 PolarHBondContact O-N 3.42Å; K748-R752 VanDerWaalsContact O-CA 3.3Å; K748-R752 WeakPolarHBondContact O-CA 3.27Å; K748-R752 PolarHBondContact O-N 3.15Å; K748-V753 HydrophobicContact CG-CB 4.48Å; K748-V753 PolarHBondContact O-N 3.46Å; K748-D755 IonicContact NZ-OD1 3.03Å; K748-D755 PolarHBondContact NZ-OD1 3.39Å; K748-D755 IonicContact NZ-OD2 3.74Å; K748-D755 PolarHBondContact NZ-OD2 2.8Å
749	K	85.1	Confident	66.1	Low	141 Å²	141	102 Å²	102	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-69.8	-35.2	177	-69.2	161.5	-167.5	164.7	0	112.6	E745 W747	E745-K749 WeakPolarHBondContact O-CB 3.3Å; E745-K749 VanDerWaalsContact O-CD 3.3Å; E745-K749 WeakPolarHBondContact O-CD 3.41Å; E745-K749 WeakPolarHBondContact O-CG 3.33Å; E745-K749 PolarHBondContact O-N 2.77Å; E745-K749 IonicContact OE2-NZ 2.77Å; E745-K749 PolarHBondContact OE2-NZ 2.87Å; W747-K749 VanDerWaalsContact C-N 3.26Å; W747-K749 PolarHBondContact O-N 3.29Å
750	K	85.8	Confident	65.5	Low	119 Å²	119	97.4 Å²	97.4	52%	0.517	51%	0.505	S	S	.	.	H	α-helix	trans	-68.3	-43.8	175.9	179.3	-176.5	175.6	-162.5	0	112.3	E188 E746 W747	E188-K750 IonicContact OE1-NZ 3.98Å; E188-K750 PolarHBondContact OE1-NZ 2.65Å; E188-K750 IonicContact OE2-NZ 3.78Å; E188-K750 PolarHBondContact OE2-NZ 3.49Å; E746-K750 VanDerWaalsContact O-CB 3.22Å; E746-K750 WeakPolarHBondContact O-CB 3.48Å; E746-K750 PolarHBondContact O-N 3.43Å; W747-K750 WeakPolarHBondContact O-CB 3.2Å; W747-K750 PolarHBondContact O-N 2.98Å
751	Y	82.7	Confident	65	Low	119 Å²	119	99.8 Å²	99.8	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-99.5	-3.4	-174.8	-70	-78.5	0	0	0	114.9	E188 W747 V753	E188-Y751 WeakPolarHBondContact OE2-CE2 3.43Å; E188-Y751 PolarHBondContact OE2-OH 2.9Å; E188-Y751 VanDerWaalsContact OE2-OH 3.09Å; W747-Y751 AromaticContact CD1-CD2 3.48Å; W747-Y751 VanDerWaalsContact CD1-CD2 3.48Å; W747-Y751 AromaticContact CD1-CE2 3.46Å; W747-Y751 VanDerWaalsContact CD1-CE2 3.46Å; W747-Y751 AromaticContact CD2-CD2 3.99Å; W747-Y751 HydrophobicContact CD2-CD2 3.99Å; W747-Y751 AromaticContact CE2-CD2 3.67Å; W747-Y751 AromaticContact CG-CD2 3.89Å; W747-Y751 HydrophobicContact CG-CD2 3.89Å; W747-Y751 HydrophobicContact CG-CE2 4.28Å; W747-Y751 HydrophobicContact CZ2-CD2 4.32Å; W747-Y751 AromaticContact NE1-CD2 3.35Å; W747-Y751 AromaticContact NE1-CE2 3.39Å; W747-Y751 WeakPolarHBondContact O-CD2 3.47Å; W747-Y751 PolarHBondContact O-N 3.07Å; Y751-V753 PolarHBondContact O-N 3.26Å
752	R	77.5	Confident	63.9	Low	227 Å²	227	96.9 Å²	96.9	86%	0.857	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	45	-179.2	-57.2	-176.8	179	-174.6	-0.3	113.6	K748	K748-R752 VanDerWaalsContact O-CA 3.3Å; K748-R752 WeakPolarHBondContact O-CA 3.27Å; K748-R752 PolarHBondContact O-N 3.15Å
753	V	73.8	Confident	62	Low	44 Å²	44	102.6 Å²	102.6	27%	0.267	56%	0.557	S	S	.	*			trans	-86.9	112.9	178.6	-175.4	0	0	0	0	109.6	W747 K748 Y751	W747-V753 HydrophobicContact CH2-CG2 3.84Å; W747-V753 HydrophobicContact CZ3-CB 4.18Å; W747-V753 HydrophobicContact CZ3-CG2 3.78Å; K748-V753 HydrophobicContact CG-CB 4.48Å; K748-V753 PolarHBondContact O-N 3.46Å; Y751-V753 PolarHBondContact O-N 3.26Å
754	E	56.3	Low	59.9	Low	179 Å²	179	103.9 Å²	103.9	84%	0.836	57%	0.574	S	S	*	*			trans	-78.9	149.4	173.7	-62.7	-178.2	165.9	0	0	110.9	A756	E754-A756 PolarHBondContact O-N 3.33Å
755	D	52.3	Low	57.4	Low	114 Å²	114	106.2 Å²	106.2	61%	0.61	61%	0.607	S	S	*	*			trans	-83	114.1	177.6	-88.3	-50.7	0	0	0	111.2	K748 G757	K748-D755 IonicContact NZ-OD1 3.03Å; K748-D755 PolarHBondContact NZ-OD1 3.39Å; K748-D755 IonicContact NZ-OD2 3.74Å; K748-D755 PolarHBondContact NZ-OD2 2.8Å; D755-G757 PolarHBondContact O-N 2.9Å
756	A	46.4	Very low	54.9	Low	87 Å²	87	106.1 Å²	106.1	72%	0.719	63%	0.628	S	S	*	*			trans	-72.3	74.2	159.7	0	0	0	0	0	109.5	E754	E754-A756 PolarHBondContact O-N 3.33Å
757	G	35.7	Very low	52.4	Low	53 Å²	53	114.3 Å²	114.3	55%	0.546	66%	0.655	S	S	.	*			trans	-65.3	135.5	-179.2	0	0	0	0	0	112.2	D755 G759	D755-G757 PolarHBondContact O-N 2.9Å; G757-G759 PolarHBondContact O-N 3.38Å; G757-G759 VanDerWaalsContact O-N 3.09Å
758	P	41.6	Very low	49.7	Very low	110 Å²	110	123.5 Å²	123.5	71%	0.714	70%	0.695	S	S	*	*	S	Bend	trans	-75.4	99.2	175.1	30.4	-32.8	0	0	0	109.9
759	G	39.1	Very low	47.1	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	73%	0.733	S	S	*	*			trans	161.6	57.8	-179.3	0	0	0	0	0	113.6	G757	G757-G759 PolarHBondContact O-N 3.38Å; G757-G759 VanDerWaalsContact O-N 3.09Å
760	S	29.9	Very low	44.4	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	75%	0.746	S	S	*	*			trans	-160.8	72.6	173.2	-178.1	0	0	0	0	110.5	G762	S760-G762 PolarHBondContact O-N 2.91Å
761	D	37.9	Very low	41.8	Very low	178 Å²	178	132.5 Å²	132.5	95%	0.952	76%	0.763	S	S	*	*			trans	-70.3	116.2	164.5	-67.5	-56.6	0	0	0	108.7
762	G	30.9	Very low	39.3	Very low	59 Å²	59	130.8 Å²	130.8	61%	0.608	78%	0.782	S	S	*	*			trans	172.1	105.1	-175.2	0	0	0	0	0	114	S760	S760-G762 PolarHBondContact O-N 2.91Å
763	E	30.5	Very low	37	Very low	185 Å²	185	123.8 Å²	123.8	86%	0.864	78%	0.78	S	S	*	*			trans	53.3	104	147.9	-57.6	-167.7	132.8	0	0	120.7
764	T	32.4	Very low	35.1	Very low	143 Å²	143	134 Å²	134	88%	0.877	81%	0.814	S	S	*	*			trans	34.3	106.8	131	55	0	0	0	0	119.9
765	G	28.9	Very low	33.9	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	82%	0.815	S	S	*	*			trans	-158	106.9	165.8	0	0	0	0	0	113.4
766	G	30.1	Very low	32.9	Very low	78 Å²	78	134.2 Å²	134.2	80%	0.804	82%	0.824	S	S	*	*			trans	-66.9	130.8	-170.5	0	0	0	0	0	115.5	K768	G766-K768 PolarHBondContact O-N 3.45Å
767	R	31.2	Very low	32.1	Very low	257 Å²	257	140.6 Å²	140.6	97%	0.97	83%	0.83	S	S	*	*			trans	-60.5	112	169.9	-78.3	177.5	166.4	167.1	-3.5	111.5
768	K	30.1	Very low	31.8	Very low	209 Å²	209	141.9 Å²	141.9	91%	0.909	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-88.6	127.9	161	-90.4	-177.9	173.8	175.5	0	111.1	G766	G766-K768 PolarHBondContact O-N 3.45Å
769	R	31.1	Very low	31.2	Very low	249 Å²	249	141.2 Å²	141.2	94%	0.94	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-69.9	150.4	172.8	-75.4	171.7	156.5	167.9	-7.8	110.5
770	S	28.9	Very low	30.8	Very low	127 Å²	127	143.4 Å²	143.4	89%	0.888	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-85.2	122.6	171.4	61.5	0	0	0	0	112.2
771	A	30.7	Very low	30.9	Very low	104 Å²	104	142.8 Å²	142.8	86%	0.86	85%	0.846	S	S	*	*			trans	-145.3	147.9	152.7	0	0	0	0	0	105.3
772	G	30.7	Very low	30.6	Very low	84 Å²	84	142 Å²	142	87%	0.866	84%	0.836	S	S	*	*			cis	128.3	73.5	15	0	0	0	0	0	108.4
773	G	28.9	Very low	30.6	Very low	79 Å²	79	149.7 Å²	149.7	81%	0.814	85%	0.847	S	S	*	*			trans	-176.8	145.4	-175.9	0	0	0	0	0	113.4
774	R	34	Very low	31.8	Very low	259 Å²	259	146.9 Å²	146.9	98%	0.977	84%	0.844	S	S	*	*			trans	-100.5	139.7	173.8	-68.9	169.9	167.5	167	-6.1	109.2
775	G	30.8	Very low	31.6	Very low	84 Å²	84	144.7 Å²	144.7	87%	0.866	84%	0.841	S	S	*	*			trans	-146.8	130.9	177.1	0	0	0	0	0	112.9
776	R	31.5	Very low	31.8	Very low	213 Å²	213	145.2 Å²	145.2	80%	0.804	84%	0.838	S	S	*	*			trans	-93	150.4	-177.9	-95.1	174.6	161.9	177.5	-4.4	112
777	R	30.3	Very low	32.7	Very low	221 Å²	221	146.7 Å²	146.7	83%	0.834	83%	0.833	S	S	*	*			trans	55	137.4	142.2	-66.5	175.9	171.3	-177.9	-5.4	119.9
778	G	28.2	Very low	32.8	Very low	81 Å²	81	143.1 Å²	143.1	84%	0.835	83%	0.828	S	S	*	*			trans	163.3	136.6	164.1	0	0	0	0	0	109.9
779	A	28.7	Very low	33	Very low	95 Å²	95	139 Å²	139	79%	0.785	82%	0.819	S	S	*	*			trans	-155.8	158.5	-174.8	0	0	0	0	0	113.4
780	S	31.2	Very low	32.9	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	81%	0.813	S	S	*	*			trans	68.1	161.8	180	88.5	0	0	0	0	114.2
781	S	31.2	Very low	33	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	81%	0.811	S	S	*	*			cis	-153.1	172.6	-2.5	67.2	0	0	0	0	108.1
782	H	32.9	Very low	33	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.745	81%	0.81	S	S	*	*			cis	-116.6	172.2	-4.2	-90.5	72.3	0	0	0	108.6
783	R	30.5	Very low	32.9	Very low	221 Å²	221	131.1 Å²	131.1	83%	0.834	81%	0.81	S	S	*	*			cis	105.6	120.3	16.6	-150.2	-172.2	-166	-152	2.7	113
784	P	55.3	Low	33.1	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	82%	0.815	S	S	*	*			trans	-112.4	-170.5	-170.2	44.2	-37.4	0	0	0	114.4
785	A	28.4	Very low	33.7	Very low	97 Å²	97	138.3 Å²	138.3	80%	0.802	81%	0.812	S	S	*	*			trans	-147	156	165.8	0	0	0	0	0	110
786	A	32.6	Very low	34	Very low	89 Å²	89	142.5 Å²	142.5	74%	0.736	81%	0.813	S	S	*	*			cis	-173.4	-172.2	-18.7	0	0	0	0	0	107.9
787	P	49.2	Very low	34.6	Very low	109 Å²	109	141.8 Å²	141.8	71%	0.708	81%	0.81	S	S	*	*				-132	166.3	-67.1	38.9	-25.1	0	0	0	114.4
788	Q	33.5	Very low	35.4	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	81%	0.809	S	S	*	*				177	118.9	128.4	-94.3	172.6	3.7	0	0	108.2
789	V	33.8	Very low	36.9	Very low	121 Å²	121	138 Å²	138	73%	0.733	79%	0.794	S	S	*	*				80.6	116.5	64.1	168.6	0	0	0	0	110.5
790	T	29.9	Very low	38.3	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	80%	0.798	S	S	*	*			cis	-153.4	176.6	4.5	2.9	0	0	0	0	114.8
791	A	30.6	Very low	40	Very low	102 Å²	102	140.2 Å²	140.2	84%	0.843	78%	0.777	S	S	*	*			trans	-40.1	161.6	175.4	0	0	0	0	0	118.6
792	G	30.7	Very low	41.8	Very low	82 Å²	82	138.8 Å²	138.8	85%	0.845	77%	0.767	S	S	*	*			cis	166.4	153.6	-5.1	0	0	0	0	0	113.8
793	G	28.8	Very low	43.3	Very low	83 Å²	83	135.5 Å²	135.5	86%	0.856	76%	0.762	S	S	*	*			trans	-176.2	156	-177.7	0	0	0	0	0	114.5
794	R	33.4	Very low	45.1	Very low	247 Å²	247	128.6 Å²	128.6	93%	0.932	75%	0.748	S	S	*	*			trans	-69.3	137.4	-169.1	-73.3	174.1	168.5	168.9	-4	115
795	R	46.5	Very low	45.8	Very low	242 Å²	242	127.5 Å²	127.5	91%	0.913	73%	0.732	S	S	*	*			trans	14.4	123	152.3	-64	179.3	177	176.7	-0.9	118.9
796	I	37.6	Very low	48.1	Very low	173 Å²	173	127.1 Å²	127.1	89%	0.887	72%	0.715	S	S	*	*			trans	-156.8	159.9	150.8	-103.6	142.7	0	0	0	111.1
797	R	43.9	Very low	50.1	Low	197 Å²	197	127.5 Å²	127.5	74%	0.743	70%	0.704	S	S	*	*			trans	-83.2	146.7	177.6	-64.4	175.6	179.2	158.9	-1	112.6	E799	R797-E799 VanDerWaalsContact C-N 3.33Å; R797-E799 HydrophobicContact CB-CG 4.09Å; R797-E799 IonicContact NH1-OE1 3.4Å; R797-E799 PolarHBondContact NH1-OE1 2.92Å; R797-E799 PolarHBondContact O-N 3.46Å
798	S	46.6	Very low	51.3	Low	116 Å²	116	129.6 Å²	129.6	81%	0.811	70%	0.703	S	S	*	*			trans	-79.6	67.2	167.6	44	0	0	0	0	113	L800	S798-L800 PolarHBondContact O-N 2.88Å
799	E	59.8	Low	53.5	Low	108 Å²	108	125 Å²	125	51%	0.505	68%	0.683	S	S	.	*			trans	-77.2	42.1	176	-71.1	-159.9	-153.7	0	0	114.5	R797 K801	R797-E799 VanDerWaalsContact C-N 3.33Å; R797-E799 HydrophobicContact CB-CG 4.09Å; R797-E799 IonicContact NH1-OE1 3.4Å; R797-E799 PolarHBondContact NH1-OE1 2.92Å; R797-E799 PolarHBondContact O-N 3.46Å; E799-K801 VanDerWaalsContact C-N 3.33Å; E799-K801 PolarHBondContact O-N 3.45Å; E799-K801 IonicContact OE2-NZ 3.52Å; E799-K801 PolarHBondContact OE2-NZ 3.31Å
800	L	57.7	Low	55.6	Low	169 Å²	169	128.2 Å²	128.2	89%	0.885	68%	0.683	S	S	*	*			trans	-75.4	81.1	179.4	-83.7	166.9	0	0	0	112.1	S798	S798-L800 PolarHBondContact O-N 2.88Å
801	K	66.1	Low	57.9	Low	94 Å²	94	128.8 Å²	128.8	41%	0.409	67%	0.674	S	S	.	*			trans	-67.5	134.1	170.9	-66.9	157.7	-170.4	120.1	0	109.4	E799 Q805 I806	E799-K801 VanDerWaalsContact C-N 3.33Å; E799-K801 PolarHBondContact O-N 3.45Å; E799-K801 IonicContact OE2-NZ 3.52Å; E799-K801 PolarHBondContact OE2-NZ 3.31Å; K801-Q805 HydrophobicContact CB-CB 4.28Å; K801-I806 HydrophobicContact CB-CG1 4.12Å; K801-I806 WeakPolarHBondContact O-CD1 3.21Å
802	S	69.4	Low	59.7	Low	63 Å²	63	128.9 Å²	128.9	44%	0.441	66%	0.66	S	S	.	*			trans	-55.1	148.1	177.6	175.8	0	0	0	0	111.3	S804 Q805 I806	S802-S804 PolarHBondContact O-N 3.46Å; S802-S804 VanDerWaalsContact O-N 3.1Å; S802-S804 PolarHBondContact OG-OG 3.34Å; S802-Q805 WeakPolarHBondContact O-CA 3.2Å; S802-Q805 WeakPolarHBondContact O-CB 3.5Å; S802-Q805 PolarHBondContact O-N 2.84Å; S802-I806 PolarHBondContact O-N 3.34Å
803	S	65.9	Low	62.1	Low	92 Å²	92	131.6 Å²	131.6	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-48.5	-40.7	174.8	179.8	0	0	0	0	112.1	Q805 I806 L807	S803-Q805 PolarHBondContact O-N 2.98Å; S803-I806 PolarHBondContact O-N 2.89Å; S803-L807 PolarHBondContact O-N 3.3Å
804	S	66.8	Low	64.6	Low	76 Å²	76	134.1 Å²	134.1	53%	0.531	64%	0.638	S	S	.	*	H	α-helix	trans	-59.5	-41.2	174.2	64.8	0	0	0	0	113.6	S802 K808	S802-S804 PolarHBondContact O-N 3.46Å; S802-S804 VanDerWaalsContact O-N 3.1Å; S802-S804 PolarHBondContact OG-OG 3.34Å; S804-K808 VanDerWaalsContact O-CB 3.3Å; S804-K808 WeakPolarHBondContact O-CB 3.16Å; S804-K808 PolarHBondContact O-N 2.69Å
805	Q	70.7	Confident	66.6	Low	102 Å²	102	129.1 Å²	129.1	48%	0.477	62%	0.623	S	S	.	*	H	α-helix	trans	-71.1	-38.1	177.4	-65.7	171	-25.6	0	0	111.4	K801 S802 S803 K808 N809	K801-Q805 HydrophobicContact CB-CB 4.28Å; S802-Q805 WeakPolarHBondContact O-CA 3.2Å; S802-Q805 WeakPolarHBondContact O-CB 3.5Å; S802-Q805 PolarHBondContact O-N 2.84Å; S803-Q805 PolarHBondContact O-N 2.98Å; Q805-K808 PolarHBondContact O-N 3.45Å; Q805-N809 VanDerWaalsContact O-CB 3.29Å; Q805-N809 WeakPolarHBondContact O-CB 3.3Å; Q805-N809 VanDerWaalsContact O-CG 3.28Å; Q805-N809 PolarHBondContact O-N 2.88Å; Q805-N809 PolarHBondContact O-ND2 2.96Å
806	I	76.5	Confident	67.9	Low	89 Å²	89	123.1 Å²	123.1	46%	0.456	61%	0.605	S	S	.	*	H	α-helix	trans	-62.7	-46.5	175.1	-63.1	172.9	0	0	0	110.2	K801 S802 S803 N809 R810	K801-I806 HydrophobicContact CB-CG1 4.12Å; K801-I806 WeakPolarHBondContact O-CD1 3.21Å; S802-I806 PolarHBondContact O-N 3.34Å; S803-I806 PolarHBondContact O-N 2.89Å; I806-N809 PolarHBondContact O-N 3.42Å; I806-R810 PolarHBondContact O-N 3.06Å
807	L	74.2	Confident	69.9	Low	97 Å²	97	120.4 Å²	120.4	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-64.3	-41.7	178.4	-126.5	167	0	0	0	112	S803 R810 K811	S803-L807 PolarHBondContact O-N 3.3Å; L807-R810 PolarHBondContact O-N 2.78Å; L807-K811 PolarHBondContact O-N 3.34Å; L807-K811 VanDerWaalsContact O-N 3.12Å
808	K	75.3	Confident	71.7	Confident	154 Å²	154	115.8 Å²	115.8	67%	0.67	57%	0.574	S	S	*	*	H	α-helix	trans	-65.5	-39.5	176.5	-155.6	169.7	-170.6	175.1	0	111.7	S804 Q805 K811 L812	S804-K808 VanDerWaalsContact O-CB 3.3Å; S804-K808 WeakPolarHBondContact O-CB 3.16Å; S804-K808 PolarHBondContact O-N 2.69Å; Q805-K808 PolarHBondContact O-N 3.45Å; K808-K811 PolarHBondContact O-N 3.3Å; K808-L812 PolarHBondContact O-N 2.82Å
809	N	78.4	Confident	73	Confident	85 Å²	85	114.4 Å²	114.4	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-68.8	-39.3	174.7	-77.2	-27.6	0	0	0	113	Q805 I806 L812 K813	Q805-N809 VanDerWaalsContact O-CB 3.29Å; Q805-N809 WeakPolarHBondContact O-CB 3.3Å; Q805-N809 VanDerWaalsContact O-CG 3.28Å; Q805-N809 PolarHBondContact O-N 2.88Å; Q805-N809 PolarHBondContact O-ND2 2.96Å; I806-N809 PolarHBondContact O-N 3.42Å; N809-L812 PolarHBondContact O-N 3.31Å; N809-K813 WeakPolarHBondContact O-CB 3.47Å; N809-K813 PolarHBondContact O-N 3.27Å
810	R	78.8	Confident	73.8	Confident	190 Å²	190	116.2 Å²	116.2	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-58.2	-47.6	172	-96.5	-175.9	169	174.2	-3	111.3	I806 L807 K813 Q814	I806-R810 PolarHBondContact O-N 3.06Å; L807-R810 PolarHBondContact O-N 2.78Å; R810-K813 PolarHBondContact O-N 3.06Å; R810-Q814 PolarHBondContact O-N 3.09Å
811	K	77.5	Confident	74.6	Confident	144 Å²	144	110.4 Å²	110.4	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-64.7	-38.4	177.8	-71.9	-174.9	176.9	-177.4	0	112.8	L807 K808 K815	L807-K811 PolarHBondContact O-N 3.34Å; L807-K811 VanDerWaalsContact O-N 3.12Å; K808-K811 PolarHBondContact O-N 3.3Å; K811-K815 WeakPolarHBondContact O-CB 3.44Å; K811-K815 PolarHBondContact O-N 3.04Å; K811-K815 VanDerWaalsContact O-N 3.1Å
812	L	69.3	Low	75.4	Confident	104 Å²	104	107 Å²	107	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-48	173.1	-87	163.5	0	0	0	112.1	K808 N809 K815 Q816	K808-L812 PolarHBondContact O-N 2.82Å; N809-L812 PolarHBondContact O-N 3.31Å; L812-K815 PolarHBondContact O-N 3.13Å; L812-Q816 WeakPolarHBondContact O-CB 3.45Å; L812-Q816 PolarHBondContact O-N 3Å
813	K	81.6	Confident	75.8	Confident	139 Å²	139	104.4 Å²	104.4	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-41.1	-177.9	-161.7	170.9	-175.4	178.8	0	112.1	N809 R810 Q816 Q817	N809-K813 WeakPolarHBondContact O-CB 3.47Å; N809-K813 PolarHBondContact O-N 3.27Å; R810-K813 PolarHBondContact O-N 3.06Å; K813-Q816 PolarHBondContact O-N 2.62Å; K813-Q817 WeakPolarHBondContact O-CB 3.46Å; K813-Q817 WeakPolarHBondContact O-CG 3.29Å; K813-Q817 PolarHBondContact O-N 3.36Å
814	Q	80	Confident	76	Confident	136 Å²	136	105.5 Å²	105.5	64%	0.636	52%	0.518	S	S	*	.	H	α-helix	trans	-59.1	-47.1	170.6	-84.2	-175.9	-34.7	0	0	112.3	R810 Q816 Q817 F818	R810-Q814 PolarHBondContact O-N 3.09Å; Q814-Q816 VanDerWaalsContact C-N 3.29Å; Q814-Q816 PolarHBondContact O-N 2.93Å; Q814-Q817 PolarHBondContact O-N 2.98Å; Q814-F818 WeakPolarHBondContact O-CB 3.46Å; Q814-F818 PolarHBondContact O-N 2.83Å
815	K	76.9	Confident	76.5	Confident	142 Å²	142	110 Å²	110	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-62.3	-37.8	178.8	-171.6	176.3	-178	179.4	0	111.9	K811 L812 L819	K811-K815 WeakPolarHBondContact O-CB 3.44Å; K811-K815 PolarHBondContact O-N 3.04Å; K811-K815 VanDerWaalsContact O-N 3.1Å; L812-K815 PolarHBondContact O-N 3.13Å; K815-L819 HydrophobicContact CG-CD1 4.3Å; K815-L819 WeakPolarHBondContact O-CD1 3.42Å; K815-L819 VanDerWaalsContact O-CG 3.3Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.15Å; K815-L819 VanDerWaalsContact O-N 3.15Å
816	Q	73.4	Confident	76.7	Confident	115 Å²	115	113.9 Å²	113.9	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-46.5	177.3	-166.4	171.9	21.3	0	0	111.9	L812 K813 Q814 F818 L819 Q820	L812-Q816 WeakPolarHBondContact O-CB 3.45Å; L812-Q816 PolarHBondContact O-N 3Å; K813-Q816 PolarHBondContact O-N 2.62Å; Q814-Q816 VanDerWaalsContact C-N 3.29Å; Q814-Q816 PolarHBondContact O-N 2.93Å; Q816-F818 PolarHBondContact O-N 3.44Å; Q816-L819 PolarHBondContact O-N 3.48Å; Q816-Q820 WeakPolarHBondContact O-CB 3.31Å; Q816-Q820 WeakPolarHBondContact O-CG 3.26Å; Q816-Q820 PolarHBondContact O-N 3.21Å
817	Q	80.2	Confident	76.7	Confident	116 Å²	116	114 Å²	114	54%	0.542	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-40.1	174.9	-73.9	176.7	-49.9	0	0	112.3	K813 Q814 L819 Q820 G821	K813-Q817 WeakPolarHBondContact O-CB 3.46Å; K813-Q817 WeakPolarHBondContact O-CG 3.29Å; K813-Q817 PolarHBondContact O-N 3.36Å; Q814-Q817 PolarHBondContact O-N 2.98Å; Q817-L819 VanDerWaalsContact C-N 3.34Å; Q817-L819 PolarHBondContact O-N 3.05Å; Q817-Q820 PolarHBondContact O-N 2.87Å; Q817-G821 PolarHBondContact O-N 3.42Å
818	F	81.8	Confident	76.7	Confident	101 Å²	101	118.6 Å²	118.6	44%	0.443	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-38	176	177.7	-95.8	0	0	0	112.9	Q814 Q816 G823 I827	Q814-F818 WeakPolarHBondContact O-CB 3.46Å; Q814-F818 PolarHBondContact O-N 2.83Å; Q816-F818 PolarHBondContact O-N 3.44Å; F818-G823 PolarHBondContact O-N 3.31Å; F818-I827 HydrophobicContact CZ-CD1 3.83Å
819	L	72.2	Confident	76.7	Confident	87 Å²	87	114 Å²	114	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-72.3	-45.4	176.1	-73	166.8	0	0	0	111.8	K815 Q816 Q817 G822 M824	K815-L819 HydrophobicContact CG-CD1 4.3Å; K815-L819 WeakPolarHBondContact O-CD1 3.42Å; K815-L819 VanDerWaalsContact O-CG 3.3Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.15Å; K815-L819 VanDerWaalsContact O-N 3.15Å; Q816-L819 PolarHBondContact O-N 3.48Å; Q817-L819 VanDerWaalsContact C-N 3.34Å; Q817-L819 PolarHBondContact O-N 3.05Å; L819-G822 PolarHBondContact O-N 3.02Å; L819-M824 HydrophobicContact CD2-CE 3.8Å; L819-M824 HydrophobicContact CD2-SD 4.46Å
820	Q	76.7	Confident	76.6	Confident	145 Å²	145	117.4 Å²	117.4	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-65.9	-42.2	178.5	-73.9	174.8	-26.4	0	0	112.3	Q816 Q817 G822	Q816-Q820 WeakPolarHBondContact O-CB 3.31Å; Q816-Q820 WeakPolarHBondContact O-CG 3.26Å; Q816-Q820 PolarHBondContact O-N 3.21Å; Q817-Q820 PolarHBondContact O-N 2.87Å; Q820-G822 PolarHBondContact O-N 3.13Å
821	G	75.6	Confident	76.3	Confident	48 Å²	48	112.9 Å²	112.9	50%	0.495	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	12.4	175.5	0	0	0	0	0	115.1	Q817 G823	Q817-G821 PolarHBondContact O-N 3.42Å; G821-G823 VanDerWaalsContact C-N 3.27Å; G821-G823 PolarHBondContact O-N 3.04Å
822	G	81.4	Confident	76.1	Confident	22 Å²	22	114.2 Å²	114.2	23%	0.227	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.4	175.3	0	0	0	0	0	114.8	L819 Q820 M824 K825 R826	L819-G822 PolarHBondContact O-N 3.02Å; Q820-G822 PolarHBondContact O-N 3.13Å; G822-M824 PolarHBondContact O-N 3.07Å; G822-M824 VanDerWaalsContact O-N 3.13Å; G822-K825 WeakPolarHBondContact O-CA 3.39Å; G822-K825 WeakPolarHBondContact O-CB 3.42Å; G822-K825 PolarHBondContact O-N 3.48Å; G822-R826 PolarHBondContact O-N 2.95Å
823	G	79.8	Confident	76.4	Confident	9 Å²	9	115.1 Å²	115.1	9%	0.093	55%	0.545	C	S	.	.	H	α-helix	trans	-54.7	-35.5	-177.6	0	0	0	0	0	113.2	F818 G821 K825 R826 I827	F818-G823 PolarHBondContact O-N 3.31Å; G821-G823 VanDerWaalsContact C-N 3.27Å; G821-G823 PolarHBondContact O-N 3.04Å; G823-K825 VanDerWaalsContact C-N 3.33Å; G823-K825 PolarHBondContact O-N 3.13Å; G823-R826 PolarHBondContact O-N 3.43Å; G823-I827 PolarHBondContact O-N 3.05Å
824	M	69.6	Low	75.8	Confident	114 Å²	114	116 Å²	116	56%	0.562	54%	0.544	S	S	*	.	H	α-helix	trans	-70.1	-24.5	175.9	-163.6	166.9	-75.4	0	0	113.9	L819 G822 R828	L819-M824 HydrophobicContact CD2-CE 3.8Å; L819-M824 HydrophobicContact CD2-SD 4.46Å; G822-M824 PolarHBondContact O-N 3.07Å; G822-M824 VanDerWaalsContact O-N 3.13Å; M824-R828 PolarHBondContact O-N 2.85Å
825	K	75.8	Confident	75.2	Confident	172 Å²	172	114.2 Å²	114.2	75%	0.748	54%	0.539	S	S	*	.	H	α-helix	trans	-76.3	-42.1	167.9	-66.9	-176.1	177.9	-179.6	0	110.8	G822 G823 I827 R828 S829	G822-K825 WeakPolarHBondContact O-CA 3.39Å; G822-K825 WeakPolarHBondContact O-CB 3.42Å; G822-K825 PolarHBondContact O-N 3.48Å; G823-K825 VanDerWaalsContact C-N 3.33Å; G823-K825 PolarHBondContact O-N 3.13Å; K825-I827 PolarHBondContact O-N 3.22Å; K825-R828 PolarHBondContact O-N 3.44Å; K825-R828 VanDerWaalsContact O-N 3.13Å; K825-S829 PolarHBondContact O-N 3.25Å
826	R	76.4	Confident	74.9	Confident	182 Å²	182	109.1 Å²	109.1	69%	0.687	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-34.9	178.3	-64	-178.2	-177.7	-171.7	-0	113.3	G822 G823 S829 K830	G822-R826 PolarHBondContact O-N 2.95Å; G823-R826 PolarHBondContact O-N 3.43Å; R826-S829 PolarHBondContact O-OG 3.09Å; R826-K830 PolarHBondContact O-N 3.28Å; R826-K830 VanDerWaalsContact O-N 3.16Å
827	I	76.3	Confident	74.8	Confident	91 Å²	91	109.6 Å²	109.6	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-68	-43.4	171.2	-70.1	177.6	0	0	0	110.9	F818 G823 K825 S829 K830 N831	F818-I827 HydrophobicContact CZ-CD1 3.83Å; G823-I827 PolarHBondContact O-N 3.05Å; K825-I827 PolarHBondContact O-N 3.22Å; I827-S829 VanDerWaalsContact C-N 3.32Å; I827-S829 PolarHBondContact O-N 3.16Å; I827-K830 PolarHBondContact O-N 2.99Å; I827-N831 PolarHBondContact O-N 3.42Å; I827-N831 PolarHBondContact O-OD1 3.16Å
828	R	73.4	Confident	73.8	Confident	195 Å²	195	108.8 Å²	108.8	74%	0.736	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-35.2	176.8	-79.5	-176.6	171.5	-171.8	-1.9	112.9	M824 K825 K832	M824-R828 PolarHBondContact O-N 2.85Å; K825-R828 PolarHBondContact O-N 3.44Å; K825-R828 VanDerWaalsContact O-N 3.13Å; R828-K832 WeakPolarHBondContact O-CB 3.4Å; R828-K832 PolarHBondContact O-N 3.39Å; R828-K832 VanDerWaalsContact O-N 3.16Å
829	S	75.2	Confident	72.8	Confident	58 Å²	58	111.9 Å²	111.9	41%	0.406	54%	0.539	S	S	.	.	H	α-helix	trans	-69.4	-46.3	174.6	60.5	0	0	0	0	112.1	K825 R826 I827 N831 K832 Q833	K825-S829 PolarHBondContact O-N 3.25Å; R826-S829 PolarHBondContact O-OG 3.09Å; I827-S829 VanDerWaalsContact C-N 3.32Å; I827-S829 PolarHBondContact O-N 3.16Å; S829-N831 PolarHBondContact O-N 3.35Å; S829-K832 PolarHBondContact O-N 2.95Å; S829-K832 VanDerWaalsContact O-N 3.09Å; S829-Q833 PolarHBondContact O-N 3.36Å
830	K	76.7	Confident	72.3	Confident	155 Å²	155	116.9 Å²	116.9	67%	0.674	56%	0.557	S	S	*	*	H	α-helix	trans	-55.1	-49.5	174.3	-91.5	-162.3	168.8	-166.1	0	112.1	R826 I827 K832 Q833 W834	R826-K830 PolarHBondContact O-N 3.28Å; R826-K830 VanDerWaalsContact O-N 3.16Å; I827-K830 PolarHBondContact O-N 2.99Å; K830-K832 PolarHBondContact O-N 2.95Å; K830-Q833 PolarHBondContact O-N 3.27Å; K830-W834 PolarHBondContact O-N 3Å
831	N	72.3	Confident	71.3	Confident	96 Å²	96	114.8 Å²	114.8	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-62.2	-32.3	178.8	-71.4	24.8	0	0	0	112.4	I827 S829 L835	I827-N831 PolarHBondContact O-N 3.42Å; I827-N831 PolarHBondContact O-OD1 3.16Å; S829-N831 PolarHBondContact O-N 3.35Å; N831-L835 WeakPolarHBondContact O-CB 3.48Å; N831-L835 WeakPolarHBondContact O-CG 3.38Å; N831-L835 PolarHBondContact O-N 2.96Å; N831-L835 VanDerWaalsContact O-N 3.1Å
832	K	74.4	Confident	69.8	Low	171 Å²	171	115.5 Å²	115.5	74%	0.743	57%	0.566	S	S	*	*	H	α-helix	trans	-76.2	-32.5	178.3	-159.3	-179.4	-176.1	-171.3	0	112.8	R828 S829 K830 G836	R828-K832 WeakPolarHBondContact O-CB 3.4Å; R828-K832 PolarHBondContact O-N 3.39Å; R828-K832 VanDerWaalsContact O-N 3.16Å; S829-K832 PolarHBondContact O-N 2.95Å; S829-K832 VanDerWaalsContact O-N 3.09Å; K830-K832 PolarHBondContact O-N 2.95Å; K832-G836 PolarHBondContact O-N 3.1Å
833	Q	73.9	Confident	68.1	Low	124 Å²	124	124.1 Å²	124.1	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-67.9	-48.8	171.4	-72.9	175.2	-81.5	0	0	111.1	S829 K830 L835 G836 E837	S829-Q833 PolarHBondContact O-N 3.36Å; K830-Q833 PolarHBondContact O-N 3.27Å; Q833-L835 VanDerWaalsContact C-N 3.34Å; Q833-L835 PolarHBondContact O-N 3.23Å; Q833-G836 CarbonylContact O-C 3.57Å; Q833-G836 VanDerWaalsContact O-CA 3.29Å; Q833-G836 WeakPolarHBondContact O-CA 3.41Å; Q833-G836 PolarHBondContact O-N 3.19Å; Q833-E837 PolarHBondContact O-N 3.45Å
834	W	70.2	Confident	66.1	Low	156 Å²	156	126.9 Å²	126.9	59%	0.591	63%	0.626	S	S	*	*	H	α-helix	trans	-59.6	-40.3	178.3	-174.5	74.9	0	0	0	112.9	K830 G836 E837 M838	K830-W834 PolarHBondContact O-N 3Å; W834-G836 PolarHBondContact O-N 3.3Å; W834-E837 PolarHBondContact O-N 2.96Å; W834-M838 HydrophobicContact CD2-CG 4.49Å; W834-M838 HydrophobicContact CD2-SD 4.39Å; W834-M838 HydrophobicContact CE3-SD 4.16Å; W834-M838 HydrophobicContact CH2-SD 3.43Å; W834-M838 WeakPolarHBondContact CH2-SD 3.43Å; W834-M838 HydrophobicContact CZ2-CG 4.38Å; W834-M838 HydrophobicContact CZ2-SD 3.68Å; W834-M838 HydrophobicContact CZ3-SD 3.68Å; W834-M838 PolarHBondContact O-N 3.28Å
835	L	67.8	Low	64.8	Low	100 Å²	100	133.8 Å²	133.8	52%	0.524	65%	0.646	S	S	.	*	H	α-helix	trans	-65.2	-23.7	170.8	-86.9	164.6	0	0	0	114	N831 Q833 K839	N831-L835 WeakPolarHBondContact O-CB 3.48Å; N831-L835 WeakPolarHBondContact O-CG 3.38Å; N831-L835 PolarHBondContact O-N 2.96Å; N831-L835 VanDerWaalsContact O-N 3.1Å; Q833-L835 VanDerWaalsContact C-N 3.34Å; Q833-L835 PolarHBondContact O-N 3.23Å; L835-K839 WeakPolarHBondContact O-CG 3.29Å
836	G	70.8	Confident	62.9	Low	34 Å²	34	129.7 Å²	129.7	35%	0.351	65%	0.653	S	S	.	*	H	α-helix	trans	-77.3	-40.8	172.3	0	0	0	0	0	112.2	K832 Q833 W834 K839 K840	K832-G836 PolarHBondContact O-N 3.1Å; Q833-G836 CarbonylContact O-C 3.57Å; Q833-G836 VanDerWaalsContact O-CA 3.29Å; Q833-G836 WeakPolarHBondContact O-CA 3.41Å; Q833-G836 PolarHBondContact O-N 3.19Å; W834-G836 PolarHBondContact O-N 3.3Å; G836-K839 PolarHBondContact O-N 3.35Å; G836-K840 PolarHBondContact O-N 3.22Å
837	E	69.7	Low	60.8	Low	126 Å²	126	125 Å²	125	59%	0.589	66%	0.661	S	S	*	*	H	α-helix	trans	-66.1	-47.3	176.9	-69.2	168	152.5	0	0	111.2	Q833 W834 K839 K840 S841	Q833-E837 PolarHBondContact O-N 3.45Å; W834-E837 PolarHBondContact O-N 2.96Å; E837-K839 PolarHBondContact O-N 2.85Å; E837-K840 PolarHBondContact O-N 3.48Å; E837-S841 PolarHBondContact O-N 3.03Å; E837-S841 PolarHBondContact O-OG 3.29Å
838	M	59.7	Low	58.9	Low	98 Å²	98	129.1 Å²	129.1	48%	0.483	68%	0.678	S	S	.	*	H	α-helix	trans	-56.2	-33.2	172.9	-76.2	-162.2	77.3	0	0	113.3	W834 K840 S841 G842	W834-M838 HydrophobicContact CD2-CG 4.49Å; W834-M838 HydrophobicContact CD2-SD 4.39Å; W834-M838 HydrophobicContact CE3-SD 4.16Å; W834-M838 HydrophobicContact CH2-SD 3.43Å; W834-M838 WeakPolarHBondContact CH2-SD 3.43Å; W834-M838 HydrophobicContact CZ2-CG 4.38Å; W834-M838 HydrophobicContact CZ2-SD 3.68Å; W834-M838 HydrophobicContact CZ3-SD 3.68Å; W834-M838 PolarHBondContact O-N 3.28Å; M838-K840 VanDerWaalsContact C-N 3.34Å; M838-S841 PolarHBondContact O-OG 2.96Å; M838-G842 PolarHBondContact O-N 3.22Å
839	K	61.3	Low	57.2	Low	167 Å²	167	130 Å²	130	73%	0.726	69%	0.687	S	S	*	*	H	α-helix	trans	-77.3	-18.1	176.5	-79.8	-170.7	173.9	-165	0	113.8	L835 G836 E837	L835-K839 WeakPolarHBondContact O-CG 3.29Å; G836-K839 PolarHBondContact O-N 3.35Å; E837-K839 PolarHBondContact O-N 2.85Å
840	K	61.4	Low	55.4	Low	191 Å²	191	136.8 Å²	136.8	83%	0.83	71%	0.71	S	S	*	*	H	α-helix	trans	-90.3	-27.1	174.1	-73.2	-173.1	174.2	-171.4	0	113	G836 E837 M838	G836-K840 PolarHBondContact O-N 3.22Å; E837-K840 PolarHBondContact O-N 3.48Å; M838-K840 VanDerWaalsContact C-N 3.34Å
841	S	55.3	Low	53.3	Low	101 Å²	101	133.2 Å²	133.2	71%	0.706	72%	0.717	S	S	*	*	H	α-helix	trans	-88	-16	175.5	56.6	0	0	0	0	114.7	E837 M838 F843	E837-S841 PolarHBondContact O-N 3.03Å; E837-S841 PolarHBondContact O-OG 3.29Å; M838-S841 PolarHBondContact O-OG 2.96Å; S841-F843 PolarHBondContact O-N 2.93Å
842	G	45.1	Very low	51.7	Low	63 Å²	63	139 Å²	139	65%	0.649	74%	0.737	S	S	*	*	S	Bend	trans	-85.4	4.8	-171.5	0	0	0	0	0	118.1	M838	M838-G842 PolarHBondContact O-N 3.22Å
843	F	46.3	Very low	49.8	Very low	203 Å²	203	139.9 Å²	139.9	89%	0.89	75%	0.746	S	S	*	*			trans	-107.6	103.2	178.8	-101.2	-82.3	0	0	0	111.4	S841	S841-F843 PolarHBondContact O-N 2.93Å
844	G	37.4	Very low	47.9	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	76%	0.762	S	S	*	*			trans	-163.8	105	-179.7	0	0	0	0	0	115.8
845	R	41.8	Very low	46.8	Very low	258 Å²	258	147.6 Å²	147.6	97%	0.974	78%	0.776	S	S	*	*			trans	65.7	129.2	159.9	-61.7	-179.4	170.2	-175	-3.7	120
846	G	35.1	Very low	45.7	Very low	86 Å²	86	154.2 Å²	154.2	89%	0.887	79%	0.794	S	S	*	*			trans	117.3	120.8	141.1	0	0	0	0	0	117.1
847	G	33.2	Very low	44.1	Very low	84 Å²	84	164.2 Å²	164.2	87%	0.866	84%	0.838	S	S	*	*			trans	133	92.4	166.3	0	0	0	0	0	115.2
848	Q	37	Very low	42.8	Very low	177 Å²	177	166.1 Å²	166.1	83%	0.827	85%	0.85	S	S	*	*			trans	-81.3	148.4	171.9	-64.8	-179	-6.6	0	0	112.1
849	K	36.5	Very low	41.9	Very low	213 Å²	213	169.7 Å²	169.7	93%	0.926	87%	0.87	S	S	*	*				-156.4	138	129.5	-113	164.5	-174.6	177.1	0	111.5
850	K	37.7	Very low	40.9	Very low	202 Å²	202	169.8 Å²	169.8	88%	0.878	88%	0.877	S	S	*	*			trans	-91.1	148.2	-179.8	-65.1	172.6	179.7	171.3	0	110.1
851	G	32.8	Very low	39.7	Very low	79 Å²	79	168.6 Å²	168.6	81%	0.814	88%	0.88	S	S	*	*			trans	-167.7	90	171.2	0	0	0	0	0	111.5
852	K	39.4	Very low	38.7	Very low	217 Å²	217	172.8 Å²	172.8	94%	0.943	89%	0.891	S	S	*	*			trans	-74.6	136.1	176	-66.4	-178.9	178.9	179.5	0	109.7
853	M	32.9	Very low	38.3	Very low	191 Å²	191	180.1 Å²	180.1	94%	0.941	91%	0.907	S	S	*	*			trans	-127.5	158	151.6	-133.6	-179	-70.8	0	0	109.9
854	R	35.4	Very low	37.7	Very low	238 Å²	238	178.5 Å²	178.5	90%	0.898	91%	0.908	S	S	*	*			trans	-91.1	144.1	-153	-68.1	154.6	68.5	172.7	2.8	112.6
855	K	47.1	Very low	37.7	Very low	204 Å²	204	187 Å²	187	89%	0.887	92%	0.924	S	S	*	*			trans	-57.3	140.5	154	-82.1	-174.1	170.3	-172.8	0	109.6
856	R	42.8	Very low	37.4	Very low	238 Å²	238	181.1 Å²	181.1	90%	0.898	92%	0.92	S	S	*	*				-126.5	170.5	127.4	-112.9	-178.8	170.7	-177.8	-5.3	108
857	L	38.3	Very low	37.6	Very low	244 Å²	244	189.7 Å²	189.7	100%	1.277	92%	0.923	S	S	*	*			trans	-65.3	0	-171.9	-63.4	99.4	0	0	0	111.6

Retrieved 857 of 857 residues in 196.9 ms (Link to these results)

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