A0A3Q0KRG9_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,155 aa.

						>A0A3Q0KRG9_SCHMA|A0A3Q0KRG9
MNHNNYYIMLNNRKNPNANNENILNLKMNHNISILSMDKSKNSNYSMKFFNDSFKQTQIQHSWIDNTKCQINSNGKYKIIRTIGQGNFAKVKLAIHLLTGREVAIKMIDKIKMYKTCRDKLTREVRVTKSINHPNIVQLYEVIETGRYVYLVMEYAKNGEMFEYLLKHNRMSESDARRKFRQILSAVQYCHRKNIVHRDLKAENLLLDYQNNIKLADFGFANHFNAASLLDTFCGSPPYAAPELLNGEKYMGPEVDVWALGVLLYLFISGTLPFEASTLKELHRRITQCDYRIPYFMSTKCELIIKRMLEIDPIKRSCLEELMEDPWINIGYEHDPLRPYIEPRENYNDPIRIALMNKLGFSNEELRVTFDKRLFNNIRATYLLLADTETQQRIGKHLISIGHMLSSSNINPDIEGKSSHKSVGRKLSIKNEPKSEPIQRQTTPVIISTSCDKHKSMASNDQMNLIITSDPDLYQTIEQTMKCFDSKDISCTSAYRLGCDVTTTTTTTTNSTKILLNDCKISCNMHRIRAKSLNGNAESSESNEEGIIYSLENDQDELKNNQVVNNSKNTNLYKQNHLKRHFIIDRAQTAIPDSLESRLKRNLIIITDKTSNWDNLPYDHTGRATVPIVIYQHDSQYFHDGNSFQNQHADNNNNNDYYYENGISDHHNSNYTHYQNTKYQRNGTVTIQPTFTDSQYKSQEEQLENITSNNDKYGTDKESDLKLVVFHNERKNIPYRSPLPKSSSSNNKLPIRVNILNHANNSNNIKLDNNNNNQSNVNQQYKIINLTNKNTISLKRNQPIRLYENNEFSQTKQNGYNNDENIIHLKGPQIELNRLKKNSSFSKKESETFTITKKDNLPERKFPQTNGNMYKEIHEENNNNQFIKEQKRSFLPSFSITKEKGQNPKEILDKVYIYTPNAKLVKCDTSVGKRFVKSQDCQSNLNCYESENTITITSNNINSTTASKVQNMHYSNSCTTKPIFSQCRDNSETFRQDLNSINNIRHNNNSPQQHYITHIPKISQLNWSYGVAVQNPNLKILLSTLDQVVKKSYIDHVHLSPYRIICSQRVHCNYQSQNKYNNSQYPKVSSQFDHDKLYKNSHNCDKISSLLKWEMEVVQLPRFHTYGIRFKGIDGDLRHLRSIEKSLTGQLVQTMNSIK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	26.1	Very low	27.6	Very low	243 Å²	243	156.2 Å²	156.2	100%	1.197	76%	0.757	S	S	*	*				0	174	0	-73.5	177.8	170	0	0	108.8
2	N	29.5	Very low	27.9	Very low	147 Å²	147	151.8 Å²	151.8	79%	0.786	74%	0.74	S	S	*	*			trans	-101.1	151.7	-144.5	-64.7	-7.4	0	0	0	116.1
3	H	29.5	Very low	28	Very low	156 Å²	156	156.6 Å²	156.6	72%	0.722	75%	0.745	S	S	*	*			trans	49.4	121	139.2	-76.8	-54.9	0	0	0	123.3
4	N	29.4	Very low	28.2	Very low	121 Å²	121	159.4 Å²	159.4	65%	0.647	75%	0.753	S	S	*	*				85.6	134.7	118.3	-68.9	7.9	0	0	0	123.1
5	N	28.9	Very low	28.6	Very low	125 Å²	125	159.6 Å²	159.6	67%	0.668	76%	0.76	S	S	*	*			trans	85.4	105.6	133.7	-70.4	3.1	0	0	0	123
6	Y	25	Very low	28.9	Very low	189 Å²	189	155.9 Å²	155.9	74%	0.741	75%	0.754	S	S	*	*				78.4	146.5	121.1	-91.2	-86	0	0	0	123.1
7	Y	25.2	Very low	29.2	Very low	186 Å²	186	156.2 Å²	156.2	73%	0.729	76%	0.76	S	S	*	*			trans	58.1	125.5	176.9	-66.1	-87.1	0	0	0	116.5
8	I	26.4	Very low	29.4	Very low	142 Å²	142	152.3 Å²	152.3	73%	0.728	76%	0.757	S	S	*	*			cis	86.9	140.3	40.5	-67.5	172.5	0	0	0	113.6
9	M	23.8	Very low	29.6	Very low	160 Å²	160	152.2 Å²	152.2	79%	0.788	76%	0.76	S	S	*	*			trans	87.9	164.8	165.3	-89.4	-85.3	-83.3	0	0	119.2
10	L	27.6	Very low	29.7	Very low	138 Å²	138	151.5 Å²	151.5	72%	0.723	76%	0.758	S	S	*	*			trans	91.7	129.4	177.3	-48.1	-171.6	0	0	0	115.3
11	N	32	Very low	29.8	Very low	111 Å²	111	151.9 Å²	151.9	59%	0.594	76%	0.758	S	S	*	*			cis	-155.8	148.5	5.1	-127.5	-16.2	0	0	0	118.8
12	N	31	Very low	30	Very low	103 Å²	103	146.5 Å²	146.5	55%	0.551	73%	0.734	S	S	*	*			trans	53.4	119.5	142.7	-73.9	-21.3	0	0	0	122.5
13	R	29.9	Very low	29.9	Very low	215 Å²	215	147.5 Å²	147.5	81%	0.811	74%	0.737	S	S	*	*				81.8	112	85.5	-71.4	177.1	-161	-150.2	0.7	113
14	K	30.9	Very low	29.9	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	75%	0.747	S	S	*	*				80.2	105.2	67.8	-82.5	-167.1	172.4	-170.7	0	115
15	N	33.1	Very low	29.8	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	75%	0.753	S	S	*	*				-171.5	167.7	119	-102	4.8	0	0	0	112.6
16	P	34.8	Very low	29.8	Very low	101 Å²	101	151.2 Å²	151.2	66%	0.656	76%	0.761	S	S	*	*			trans	-126.9	172.4	-156.2	43.6	-31.7	0	0	0	116.9
17	N	33.1	Very low	29.9	Very low	160 Å²	160	152.5 Å²	152.5	86%	0.856	77%	0.771	S	S	*	*			trans	-177.9	154.6	131.8	-95.5	-18.8	0	0	0	113.7
18	A	33.8	Very low	30.1	Very low	86 Å²	86	152.6 Å²	152.6	71%	0.711	78%	0.78	S	S	*	*			trans	49.2	117.1	167.4	0	0	0	0	0	119
19	N	31.9	Very low	30.2	Very low	151 Å²	151	153 Å²	153	81%	0.807	78%	0.783	S	S	*	*				58.7	113.7	72.2	-61.2	4.2	0	0	0	111.6
20	N	32.1	Very low	30.3	Very low	137 Å²	137	152.9 Å²	152.9	73%	0.733	78%	0.781	S	S	*	*			cis	-153.9	172.4	36.5	-108.7	1.7	0	0	0	113.8
21	E	30.8	Very low	30.2	Very low	161 Å²	161	152.6 Å²	152.6	75%	0.752	78%	0.78	S	S	*	*			trans	69.2	122.7	155.8	-79.8	-176	-136.1	0	0	122.7
22	N	30.4	Very low	29.8	Very low	129 Å²	129	154.8 Å²	154.8	69%	0.69	79%	0.79	S	S	*	*			trans	77.4	118.2	140.5	-68.1	-42.1	0	0	0	122.2
23	I	29.3	Very low	29.5	Very low	168 Å²	168	155.6 Å²	155.6	86%	0.862	80%	0.803	S	S	*	*			trans	68.4	74.6	157.9	-49.5	174.8	0	0	0	115.6
24	L	29.1	Very low	29.3	Very low	177 Å²	177	152.8 Å²	152.8	93%	0.927	80%	0.803	S	S	*	*			trans	-75.8	144.9	160.5	-87.8	164.4	0	0	0	111.7
25	N	26.3	Very low	28.9	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	80%	0.801	S	S	*	*			trans	-120	163.1	168.7	-156	-14	0	0	0	109.9
26	L	28.5	Very low	28.6	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	79%	0.789	S	S	*	*			trans	62.1	96.2	174.5	-62.1	166.8	0	0	0	117.5
27	K	28.8	Very low	28.1	Very low	217 Å²	217	150.7 Å²	150.7	94%	0.943	80%	0.798	S	S	*	*			trans	-128.5	130.6	145.5	-83.5	-175.5	176.7	176.1	0	109.2
28	M	29.4	Very low	27.7	Very low	187 Å²	187	147.6 Å²	147.6	92%	0.921	78%	0.782	S	S	*	*			trans	-115.3	122.9	162.8	-90.9	-165.6	170.9	0	0	109.1
29	N	27.2	Very low	27.3	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	78%	0.784	S	S	*	*			trans	-161.4	133.2	147.6	-120	-20.6	0	0	0	110.3
30	H	26.7	Very low	27.1	Very low	158 Å²	158	148.7 Å²	148.7	73%	0.731	77%	0.774	S	S	*	*			trans	32	125.1	164.7	-77.3	-73.7	0	0	0	123
31	N	24.2	Very low	27	Very low	132 Å²	132	150.8 Å²	150.8	71%	0.706	78%	0.777	S	S	*	*			trans	84.5	121.8	136.8	-64.2	2.4	0	0	0	120.9
32	I	24.5	Very low	26.9	Very low	157 Å²	157	149.9 Å²	149.9	81%	0.805	78%	0.777	S	S	*	*			trans	66.1	102.6	148.7	-51.2	158.2	0	0	0	117.5
33	S	24.7	Very low	26.9	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	77%	0.773	S	S	*	*				176.8	168.3	123.7	-80.7	0	0	0	0	111.8
34	I	26.2	Very low	26.7	Very low	157 Å²	157	147 Å²	147	81%	0.805	77%	0.77	S	S	*	*			trans	-124.9	130.2	-177.2	-45.2	172.1	0	0	0	108.7
35	L	22.9	Very low	26.6	Very low	156 Å²	156	149.8 Å²	149.8	82%	0.817	77%	0.77	S	S	*	*			trans	162	135.1	130.1	-88.3	164.7	0	0	0	115.2
36	S	25.1	Very low	26.7	Very low	87 Å²	87	147.5 Å²	147.5	61%	0.608	77%	0.765	S	S	*	*			trans	54.2	126	140.2	67.7	0	0	0	0	123.9
37	M	24.2	Very low	26.4	Very low	171 Å²	171	148.9 Å²	148.9	84%	0.842	77%	0.77	S	S	*	*				74.6	145.7	127.9	-71.3	178.5	83.5	0	0	120
38	D	24.7	Very low	26.3	Very low	96 Å²	96	146.9 Å²	146.9	51%	0.513	76%	0.761	S	S	.	*			cis	-169.8	155.7	-18.1	-160	-6.3	0	0	0	110
39	K	26.8	Very low	26	Very low	172 Å²	172	147 Å²	147	75%	0.748	76%	0.757	S	S	*	*			trans	62.5	157.9	157.8	-81.4	147.9	-164.1	153.6	0	119.7
40	S	26.4	Very low	25.9	Very low	87 Å²	87	149.6 Å²	149.6	61%	0.608	76%	0.761	S	S	*	*			cis	-166.6	176.1	-6.7	49.8	0	0	0	0	112.7
41	K	31.5	Very low	25.7	Very low	181 Å²	181	149.6 Å²	149.6	79%	0.787	77%	0.767	S	S	*	*			trans	77.1	139.8	164.8	-58.7	168.7	-170.5	177.6	0	114.3
42	N	28.2	Very low	25.7	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	77%	0.771	S	S	*	*			cis	-154.2	168.3	2.6	-114.1	8.7	0	0	0	108.7
43	S	30.1	Very low	25.8	Very low	85 Å²	85	148.3 Å²	148.3	59%	0.594	77%	0.77	S	S	*	*			cis	-166.7	162	-5.5	37.5	0	0	0	0	111.1
44	N	25.3	Very low	25.7	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	78%	0.776	S	S	*	*			trans	47	99.1	152.2	-61.4	-1	0	0	0	120.1
45	Y	27.2	Very low	25.7	Very low	237 Å²	237	155 Å²	155	93%	0.929	78%	0.779	S	S	*	*			trans	-140.4	126.3	136.3	-113.3	-83.4	0	0	0	111.7
46	S	28.4	Very low	25.7	Very low	97 Å²	97	156.1 Å²	156.1	68%	0.678	78%	0.78	S	S	*	*			trans	14.7	124.2	163.6	-160.5	0	0	0	0	121.1	K48	S46-K48 PolarHBondContact O-N 2.64Å
47	M	22.3	Very low	25.7	Very low	187 Å²	187	158.2 Å²	158.2	92%	0.921	79%	0.789	S	S	*	*			trans	-70.8	113.6	153.7	-82.9	-156	-62.4	0	0	110.9
48	K	25.3	Very low	25.6	Very low	175 Å²	175	159.5 Å²	159.5	76%	0.761	79%	0.793	S	S	*	*			trans	-165.9	156.7	151	-108.4	157	-173.7	176.6	0	109.8	S46	S46-K48 PolarHBondContact O-N 2.64Å
49	F	24.1	Very low	25.6	Very low	189 Å²	189	161.6 Å²	161.6	83%	0.829	80%	0.803	S	S	*	*			trans	59.7	81.9	177.9	-54.5	-74.9	0	0	0	117.2
50	F	24.4	Very low	25.4	Very low	205 Å²	205	162.3 Å²	162.3	90%	0.899	81%	0.809	S	S	*	*				-153.8	47.5	127.5	-124.3	-72.3	0	0	0	112.4
51	N	23.8	Very low	25.3	Very low	159 Å²	159	167.4 Å²	167.4	85%	0.85	82%	0.823	S	S	*	*			trans	-120.4	53.4	180	-155.2	25	0	0	0	111
52	D	24	Very low	24.8	Very low	150 Å²	150	162.6 Å²	162.6	80%	0.802	81%	0.812	S	S	*	*	S	Bend	trans	-157	110.3	170.7	-99.6	-39	0	0	0	110.2
53	S	25.8	Very low	24.5	Very low	112 Å²	112	166.8 Å²	166.8	78%	0.783	82%	0.817	S	S	*	*	S	Bend	trans	159.7	-20.5	160.7	-78.7	0	0	0	0	112.4	K55	S53-K55 PolarHBondContact O-N 2.61Å
54	F	23.5	Very low	24.2	Very low	219 Å²	219	170.2 Å²	170.2	96%	0.961	83%	0.827	S	S	*	*	S	Bend	trans	-82.1	55.7	179	-102.5	-80	0	0	0	113.4
55	K	24.7	Very low	24.1	Very low	196 Å²	196	169.5 Å²	169.5	85%	0.852	82%	0.823	S	S	*	*	S	Bend	trans	-160.4	141.7	162.4	-109.1	155.8	-171.7	174.8	0	111.4	S53	S53-K55 PolarHBondContact O-N 2.61Å
56	Q	24.2	Very low	24	Very low	181 Å²	181	165.1 Å²	165.1	85%	0.846	82%	0.816	S	S	*	*			trans	61.4	77.4	168.6	-61.5	-173.1	-1.1	0	0	118.5
57	T	24.6	Very low	24	Very low	131 Å²	131	165.8 Å²	165.8	80%	0.804	82%	0.816	S	S	*	*			trans	-121.5	91.3	130.2	30.6	0	0	0	0	109.6	I59	T57-I59 VanDerWaalsContact C-N 3.33Å; T57-I59 PolarHBondContact O-N 3.13Å; T57-I59 VanDerWaalsContact O-N 3.09Å
58	Q	22.6	Very low	24.5	Very low	198 Å²	198	165.6 Å²	165.6	93%	0.925	81%	0.81	S	S	*	*			trans	-79.6	81	169.8	-80.7	-170.5	-22.9	0	0	109.9
59	I	25	Very low	24.9	Very low	140 Å²	140	161.3 Å²	161.3	72%	0.718	80%	0.802	S	S	*	*			trans	-125.3	144.9	170.6	-60	-177.2	0	0	0	109.2	T57 H61	T57-I59 VanDerWaalsContact C-N 3.33Å; T57-I59 PolarHBondContact O-N 3.13Å; T57-I59 VanDerWaalsContact O-N 3.09Å; I59-H61 PolarHBondContact O-N 3.17Å
60	Q	21.9	Very low	25.7	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	79%	0.79	S	S	*	*			trans	-70.4	87.4	-165.3	-63.9	172	-50.1	0	0	114	S62	Q60-S62 PolarHBondContact O-N 3Å; Q60-S62 VanDerWaalsContact O-N 3.08Å
61	H	25.2	Very low	26.8	Very low	194 Å²	194	152.9 Å²	152.9	90%	0.898	77%	0.769	S	S	*	*			trans	-78.5	87.8	161.3	-90.7	-79.6	0	0	0	111.2	I59	I59-H61 PolarHBondContact O-N 3.17Å
62	S	20	Very low	28.3	Very low	80 Å²	80	146.4 Å²	146.4	56%	0.559	74%	0.735	S	S	*	*			trans	-86.2	155	160.9	58.5	0	0	0	0	110.7	Q60	Q60-S62 PolarHBondContact O-N 3Å; Q60-S62 VanDerWaalsContact O-N 3.08Å
63	W	21.4	Very low	29.2	Very low	231 Å²	231	143.9 Å²	143.9	88%	0.875	73%	0.729	S	S	*	*			trans	80.7	142.5	177.9	-51.2	94.5	0	0	0	117
64	I	23.6	Very low	30.7	Very low	158 Å²	158	142 Å²	142	81%	0.81	71%	0.71	S	S	*	*	S	Bend	trans	68.3	116.3	-173.8	-45.1	167.6	0	0	0	111.8
65	D	24.8	Very low	32.8	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	69%	0.687	S	S	*	*			cis	-122.3	146.1	6.9	-116.7	-44.5	0	0	0	112.6
66	N	23.6	Very low	35.8	Very low	146 Å²	146	127.2 Å²	127.2	78%	0.781	66%	0.658	S	S	*	*			trans	-127	50.9	-178.5	-140.8	-24.5	0	0	0	111.8
67	T	29.9	Very low	39.2	Very low	111 Å²	111	118.6 Å²	118.6	68%	0.681	62%	0.618	S	S	*	*			trans	-98.5	23.6	179.7	48.5	0	0	0	0	113.3	C69	T67-C69 PolarHBondContact O-N 3.09Å
68	K	31.4	Very low	42.5	Very low	182 Å²	182	116.8 Å²	116.8	79%	0.791	60%	0.599	S	S	*	*			trans	-54.6	108.3	159	-90.3	-171.1	174.1	-177.7	0	107.7	Q70	K68-Q70 PolarHBondContact O-N 2.92Å
69	C	33.7	Very low	45.9	Very low	86 Å²	86	109 Å²	109	58%	0.581	56%	0.563	S	S	*	*			trans	-59.8	99.3	177.8	-80.9	0	0	0	0	108.9	T67 I71	T67-C69 PolarHBondContact O-N 3.09Å; C69-I71 PolarHBondContact O-N 3.03Å
70	Q	40.9	Very low	49.2	Very low	126 Å²	126	106.3 Å²	106.3	59%	0.589	55%	0.55	S	S	*	.			trans	-71.7	80.6	174.3	-71.7	-173.7	-12.4	0	0	108.8	K68 I79	K68-Q70 PolarHBondContact O-N 2.92Å; Q70-I79 WeakPolarHBondContact O-CB 3.23Å; Q70-I79 WeakPolarHBondContact O-CG1 3.34Å
71	I	48.5	Very low	52.7	Low	91 Å²	91	104.1 Å²	104.1	47%	0.467	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-56.6	139.4	154.6	-48.7	170.5	0	0	0	106.3	C69 G75 Y77 L97	C69-I71 PolarHBondContact O-N 3.03Å; I71-G75 VanDerWaalsContact CG2-C 3.49Å; I71-Y77 WeakPolarHBondContact CA-O 3.17Å; I71-L97 HydrophobicContact CG2-CD1 4.37Å
72	N	55.2	Low	55.9	Low	23 Å²	23	97.8 Å²	97.8	12%	0.123	51%	0.508	C	S	.	.			trans	-64.7	164.5	176.7	77.5	-30.1	0	0	0	111.4	N74 G75 K76 Y77 I143	N72-N74 PolarHBondContact O-N 3.21Å; N72-G75 PolarHBondContact O-N 2.61Å; N72-K76 PolarHBondContact OD1-N 3.3Å; N72-K76 VanDerWaalsContact OD1-N 3.1Å; N72-Y77 PolarHBondContact N-O 2.92Å; N72-Y77 VanDerWaalsContact N-O 3.09Å; N72-Y77 PolarHBondContact OD1-N 3.1Å; N72-Y77 VanDerWaalsContact OD1-N 3.11Å; N72-I143 VanDerWaalsContact ND2-CD1 3.33Å; N72-I143 WeakPolarHBondContact ND2-CD1 3.33Å
73	S	43.7	Very low	59.2	Low	96 Å²	96	96.9 Å²	96.9	67%	0.671	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-15.8	-175.5	-51.4	0	0	0	0	115.9
74	N	55.9	Low	62.2	Low	74 Å²	74	86.9 Å²	86.9	40%	0.396	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	6.7	-175.1	-59.7	15.5	0	0	0	112.8	N72 K76 I143	N72-N74 PolarHBondContact O-N 3.21Å; N74-K76 VanDerWaalsContact C-N 3.29Å; N74-K76 WeakPolarHBondContact O-CG 3.17Å; N74-K76 PolarHBondContact O-N 3.41Å; N74-I143 WeakPolarHBondContact ND2-CG2 3.46Å
75	G	68	Low	64.8	Low	46 Å²	46	85.2 Å²	85.2	47%	0.474	45%	0.454	S	S	.	.	S	Bend	trans	77.4	-2.6	175.9	0	0	0	0	0	116.7	I71 N72 L97	I71-G75 VanDerWaalsContact CG2-C 3.49Å; N72-G75 PolarHBondContact O-N 2.61Å; G75-L97 WeakPolarHBondContact O-CD1 3.24Å
76	K	87.4	Confident	66.8	Low	58 Å²	58	80.8 Å²	80.8	25%	0.252	44%	0.44	S	S	.	.			trans	-100.8	-19.3	-161.8	-70.4	167.4	-165.7	-176.9	0	115.6	N72 N74 L97 N377	N72-K76 PolarHBondContact OD1-N 3.3Å; N72-K76 VanDerWaalsContact OD1-N 3.1Å; N74-K76 VanDerWaalsContact C-N 3.29Å; N74-K76 WeakPolarHBondContact O-CG 3.17Å; N74-K76 PolarHBondContact O-N 3.41Å; K76-L97 WeakPolarHBondContact O-CB 3.35Å; K76-L97 PolarHBondContact O-N 3.31Å; K76-N377 HydrophobicContact CD-CB 3.84Å; K76-N377 PolarHBondContact NZ-ND2 3.38Å; K76-N377 PolarHBondContact NZ-OD1 2.81Å
77	Y	95.3	Very high	68.8	Low	0 Å²	0	76 Å²	76	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.5	-176.7	-61.6	-93.6	0	0	0	112	I71 N72 I95 H96 V103 I105 E141 I143 V152	I71-Y77 WeakPolarHBondContact CA-O 3.17Å; N72-Y77 PolarHBondContact N-O 2.92Å; N72-Y77 VanDerWaalsContact N-O 3.09Å; N72-Y77 PolarHBondContact OD1-N 3.1Å; N72-Y77 VanDerWaalsContact OD1-N 3.11Å; Y77-I95 WeakPolarHBondContact CA-O 3.34Å; Y77-H96 HydrophobicContact CD1-CB 3.9Å; Y77-H96 AromaticContact CD1-CD2 3.95Å; Y77-H96 HydrophobicContact CE1-CB 3.65Å; Y77-H96 AromaticContact CE1-CD2 3.4Å; Y77-H96 WeakPolarHBondContact CE1-CD2 3.45Å; Y77-H96 AromaticContact CE1-CG 3.79Å; Y77-H96 AromaticContact CZ-CD2 3.5Å; Y77-H96 VanDerWaalsContact CZ-CD2 3.5Å; Y77-V103 HydrophobicContact CD1-CG2 3.78Å; Y77-V103 HydrophobicContact CE1-CG2 3.93Å; Y77-I105 HydrophobicContact CD1-CD1 4.05Å; Y77-I105 HydrophobicContact CG-CD1 3.99Å; Y77-E141 VanDerWaalsContact CE2-OE2 3.23Å; Y77-E141 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E141 PolarHBondContact OH-OE2 3.05Å; Y77-I143 HydrophobicContact CD2-CD1 4.34Å; Y77-I143 HydrophobicContact CE2-CD1 4.06Å; Y77-V152 HydrophobicContact CD1-CG1 4.36Å; Y77-V152 HydrophobicContact CE1-CG1 3.55Å; Y77-V152 HydrophobicContact CE1-CG2 4.34Å; Y77-V152 HydrophobicContact CE2-CG2 4.25Å
78	K	94.2	Very high	70.7	Confident	93 Å²	93	74.4 Å²	74.4	40%	0.404	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.9	171.6	179.6	175.3	-177.6	175.9	0	109.2	I80 A94 I95 L97	K78-I80 PolarHBondContact O-N 3.09Å; K78-A94 CarbonylContact O-C 3.52Å; K78-A94 VanDerWaalsContact O-CA 3.22Å; K78-A94 WeakPolarHBondContact O-CA 3.45Å; K78-A94 WeakPolarHBondContact O-CB 3.28Å; K78-I95 PolarHBondContact N-O 3.03Å; K78-I95 PolarHBondContact O-N 3.39Å; K78-L97 HydrophobicContact CB-CD2 3.91Å; K78-L97 HydrophobicContact CB-CG 4.31Å
79	I	94.4	Very high	73	Confident	34 Å²	34	66.7 Å²	66.7	17%	0.174	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	130.8	174.2	-60.8	-55.6	0	0	0	110	Q70 K92 A94 I105	Q70-I79 WeakPolarHBondContact O-CB 3.23Å; Q70-I79 WeakPolarHBondContact O-CG1 3.34Å; I79-K92 HydrophobicContact CD1-CD 4.38Å; I79-K92 HydrophobicContact CG2-CB 4.3Å; I79-K92 HydrophobicContact CG2-CD 3.36Å; I79-K92 HydrophobicContact CG2-CG 4.47Å; I79-A94 HydrophobicContact CD1-CB 3.92Å; I79-I105 HydrophobicContact CD1-CD1 4.03Å
80	I	94.3	Very high	75.6	Confident	84 Å²	84	65.8 Å²	65.8	43%	0.431	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-72	174.6	-56.3	166.5	0	0	0	110.4	K78 L93 I95	K78-I80 PolarHBondContact O-N 3.09Å; I80-L93 HydrophobicContact CB-CG 4.37Å; I80-L93 HydrophobicContact CD1-CD2 4.03Å; I80-L93 HydrophobicContact CD1-CG 3.86Å; I80-L93 PolarHBondContact N-O 2.72Å; I80-I95 HydrophobicContact CD1-CD1 4.01Å; I80-I95 HydrophobicContact CD1-CG1 3.53Å; I80-I95 HydrophobicContact CG1-CD1 4.46Å; I80-I95 HydrophobicContact CG1-CG1 4.07Å
81	R	94.6	Very high	78.1	Confident	139 Å²	139	61.3 Å²	61.3	53%	0.525	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.6	-170.5	61.9	177	178	141	-0.9	112.1	I83 K92 L93	R81-I83 HydrophobicContact CG-CG2 4.14Å; R81-K92 CarbonylContact O-C 3.49Å; R81-K92 WeakPolarHBondContact O-CA 3.29Å; R81-K92 WeakPolarHBondContact O-CB 3.36Å; R81-L93 HydrophobicContact CG-CB 4.03Å; R81-L93 HydrophobicContact CG-CD2 4.17Å; R81-L93 PolarHBondContact N-O 3.28Å; R81-L93 PolarHBondContact O-N 3.11Å
82	T	92.9	Very high	80.3	Confident	61 Å²	61	58.4 Å²	58.4	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.5	165.4	-56.5	0	0	0	0	108.6	G84 K90	T82-G84 WeakPolarHBondContact CG2-O 3.44Å; T82-K90 HydrophobicContact CG2-CD 4.44Å; T82-K90 VanDerWaalsContact CG2-CE 3.43Å; T82-K90 HydrophobicContact CG2-CG 4.17Å; T82-K90 WeakPolarHBondContact OG1-CE 3.32Å; T82-K90 PolarHBondContact OG1-NZ 3.44Å
83	I	90.3	Very high	82.2	Confident	62 Å²	62	57.6 Å²	57.6	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-17.7	172.9	59.2	176	0	0	0	113.2	R81 V91 L93 A104 Y155	R81-I83 HydrophobicContact CG-CG2 4.14Å; I83-V91 HydrophobicContact CD1-CG1 3.92Å; I83-V91 HydrophobicContact CG1-CB 4.12Å; I83-V91 HydrophobicContact CG1-CG1 3.73Å; I83-V91 PolarHBondContact N-O 3.18Å; I83-L93 HydrophobicContact CD1-CB 4.32Å; I83-L93 HydrophobicContact CG2-CB 3.71Å; I83-A104 HydrophobicContact CD1-CB 4.12Å; I83-Y155 HydrophobicContact CD1-CD2 4.02Å; I83-Y155 HydrophobicContact CD1-CE2 4.05Å
84	G	82.7	Confident	84.8	Confident	20 Å²	20	53 Å²	53	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.1	171.5	0	0	0	0	0	112	T82 V91	T82-G84 WeakPolarHBondContact CG2-O 3.44Å; G84-V91 PolarHBondContact N-O 2.96Å; G84-V91 VanDerWaalsContact N-O 3.13Å; G84-V91 PolarHBondContact O-N 2.85Å
85	Q	78.1	Confident	86.7	Confident	123 Å²	123	52 Å²	52	58%	0.575	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.2	99.6	178.4	-173.8	177.5	-53.2	0	0	112	K90	Q85-K90 HydrophobicContact CB-CG 4.45Å; Q85-K90 HydrophobicContact CG-CD 4.27Å; Q85-K90 HydrophobicContact CG-CG 4.32Å
86	G	68.2	Low	88	Confident	41 Å²	41	49.8 Å²	49.8	42%	0.423	26%	0.255	S	S	.	.			trans	-90	-172.2	172.6	0	0	0	0	0	113.3	F88 A89	G86-F88 PolarHBondContact O-N 3.45Å; G86-A89 PolarHBondContact N-O 3.26Å
87	N	65.4	Low	88.3	Confident	47 Å²	47	51 Å²	51	25%	0.251	26%	0.263	S	S	.	.	S	Bend	trans	-62	-40.8	179.8	-83.5	-81.2	0	0	0	113.3	K1127	N87-K1127 PolarHBondContact OD1-NZ 2.84Å
88	F	69.4	Low	88.1	Confident	77 Å²	77	53.9 Å²	53.9	34%	0.338	28%	0.278	S	S	.	.	S	Bend	trans	-118.2	-17.6	-168.5	-48.4	-58	0	0	0	113.7	G86 M113	G86-F88 PolarHBondContact O-N 3.45Å; F88-M113 HydrophobicContact CB-CE 3.8Å; F88-M113 HydrophobicContact CB-SD 3.95Å; F88-M113 HydrophobicContact CD1-CE 3.22Å; F88-M113 HydrophobicContact CD1-SD 4.46Å; F88-M113 HydrophobicContact CD2-CE 3.7Å; F88-M113 HydrophobicContact CD2-SD 4.4Å; F88-M113 HydrophobicContact CE1-CE 3.58Å; F88-M113 HydrophobicContact CE2-CE 4.02Å; F88-M113 HydrophobicContact CG-CE 3.27Å; F88-M113 HydrophobicContact CG-SD 4.04Å; F88-M113 HydrophobicContact CZ-CE 3.97Å
89	A	80.8	Confident	88	Confident	19 Å²	19	49.6 Å²	49.6	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.8	-176.3	0	0	0	0	0	111.7	G86 K106 M107 I108	G86-A89 PolarHBondContact N-O 3.26Å; A89-K106 HydrophobicContact CB-CD 4.43Å; A89-K106 HydrophobicContact CB-CG 3.94Å; A89-M107 CarbonylContact C-O 3.56Å; A89-M107 WeakPolarHBondContact CA-O 3.32Å; A89-I108 HydrophobicContact CB-CG1 3.99Å
90	K	88.4	Confident	87.9	Confident	68 Å²	68	49.6 Å²	49.6	30%	0.296	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.9	174.9	-176.6	162.9	-179.3	150.2	0	109.9	T82 Q85 M107	T82-K90 HydrophobicContact CG2-CD 4.44Å; T82-K90 VanDerWaalsContact CG2-CE 3.43Å; T82-K90 HydrophobicContact CG2-CG 4.17Å; T82-K90 WeakPolarHBondContact OG1-CE 3.32Å; T82-K90 PolarHBondContact OG1-NZ 3.44Å; Q85-K90 HydrophobicContact CB-CG 4.45Å; Q85-K90 HydrophobicContact CG-CD 4.27Å; Q85-K90 HydrophobicContact CG-CG 4.32Å; K90-M107 PolarHBondContact N-O 3.02Å; K90-M107 WeakPolarHBondContact O-CB 3.47Å; K90-M107 PolarHBondContact O-N 3.12Å
91	V	91.7	Very high	87.9	Confident	32 Å²	32	49 Å²	49	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.9	-179	-166.6	0	0	0	0	109.4	I83 G84 A104 I105 K106	I83-V91 HydrophobicContact CD1-CG1 3.92Å; I83-V91 HydrophobicContact CG1-CB 4.12Å; I83-V91 HydrophobicContact CG1-CG1 3.73Å; I83-V91 PolarHBondContact N-O 3.18Å; G84-V91 PolarHBondContact N-O 2.96Å; G84-V91 VanDerWaalsContact N-O 3.13Å; G84-V91 PolarHBondContact O-N 2.85Å; V91-A104 HydrophobicContact CG1-CB 4.17Å; V91-I105 WeakPolarHBondContact CA-O 3.03Å; V91-K106 HydrophobicContact CG2-CB 4.36Å; V91-K106 HydrophobicContact CG2-CG 4.16Å
92	K	95	Very high	87.9	Confident	30 Å²	30	45.7 Å²	45.7	13%	0.13	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.5	175.7	-61	-163.3	-173.9	178.1	0	111.3	I79 R81 I105 M107	I79-K92 HydrophobicContact CD1-CD 4.38Å; I79-K92 HydrophobicContact CG2-CB 4.3Å; I79-K92 HydrophobicContact CG2-CD 3.36Å; I79-K92 HydrophobicContact CG2-CG 4.47Å; R81-K92 CarbonylContact O-C 3.49Å; R81-K92 WeakPolarHBondContact O-CA 3.29Å; R81-K92 WeakPolarHBondContact O-CB 3.36Å; K92-I105 PolarHBondContact N-O 3.31Å; K92-I105 PolarHBondContact O-N 3.12Å; K92-M107 HydrophobicContact CD-SD 3.95Å; K92-M107 VanDerWaalsContact CE-SD 3.59Å; K92-M107 HydrophobicContact CG-SD 4.19Å
93	L	96.3	Very high	88.1	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.3	163	178.4	62.8	0	0	0	108.8	I80 R81 I83 E102 Y155	I80-L93 HydrophobicContact CB-CG 4.37Å; I80-L93 HydrophobicContact CD1-CD2 4.03Å; I80-L93 HydrophobicContact CD1-CG 3.86Å; I80-L93 PolarHBondContact N-O 2.72Å; R81-L93 HydrophobicContact CG-CB 4.03Å; R81-L93 HydrophobicContact CG-CD2 4.17Å; R81-L93 PolarHBondContact N-O 3.28Å; R81-L93 PolarHBondContact O-N 3.11Å; I83-L93 HydrophobicContact CD1-CB 4.32Å; I83-L93 HydrophobicContact CG2-CB 3.71Å; L93-E102 HydrophobicContact CD1-CB 4.15Å; L93-Y155 HydrophobicContact CD1-CD1 3.44Å; L93-Y155 VanDerWaalsContact CD1-CD1 3.44Å; L93-Y155 HydrophobicContact CD1-CD2 4.11Å; L93-Y155 HydrophobicContact CD1-CE1 3.58Å; L93-Y155 HydrophobicContact CD1-CE2 4.28Å; L93-Y155 HydrophobicContact CD1-CG 3.72Å; L93-Y155 HydrophobicContact CD2-CE1 4.23Å
94	A	97.1	Very high	88.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.2	178.9	0	0	0	0	0	111	K78 I79 E102 V103 I105	K78-A94 CarbonylContact O-C 3.52Å; K78-A94 VanDerWaalsContact O-CA 3.22Å; K78-A94 WeakPolarHBondContact O-CA 3.45Å; K78-A94 WeakPolarHBondContact O-CB 3.28Å; I79-A94 HydrophobicContact CD1-CB 3.92Å; A94-E102 WeakPolarHBondContact O-CA 3.21Å; A94-V103 HydrophobicContact CB-CG2 4.08Å; A94-V103 PolarHBondContact N-O 2.76Å; A94-V103 PolarHBondContact O-N 2.97Å; A94-I105 HydrophobicContact CB-CD1 3.61Å; A94-I105 HydrophobicContact CB-CG1 4.07Å
95	I	95.9	Very high	89	Confident	53 Å²	53	39.4 Å²	39.4	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.6	169	-52	180	0	0	0	108.2	Y77 K78 I80 L97 R101	Y77-I95 WeakPolarHBondContact CA-O 3.34Å; K78-I95 PolarHBondContact N-O 3.03Å; K78-I95 PolarHBondContact O-N 3.39Å; I80-I95 HydrophobicContact CD1-CD1 4.01Å; I80-I95 HydrophobicContact CD1-CG1 3.53Å; I80-I95 HydrophobicContact CG1-CD1 4.46Å; I80-I95 HydrophobicContact CG1-CG1 4.07Å; I95-L97 PolarHBondContact O-N 3.34Å; I95-R101 WeakPolarHBondContact CA-O 3.49Å
96	H	95.3	Very high	89.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.1	165.9	179.9	-123.5	0	0	0	109.5	Y77 L98 T99 G100 R101 T381 L384	Y77-H96 HydrophobicContact CD1-CB 3.9Å; Y77-H96 AromaticContact CD1-CD2 3.95Å; Y77-H96 HydrophobicContact CE1-CB 3.65Å; Y77-H96 AromaticContact CE1-CD2 3.4Å; Y77-H96 WeakPolarHBondContact CE1-CD2 3.45Å; Y77-H96 AromaticContact CE1-CG 3.79Å; Y77-H96 AromaticContact CZ-CD2 3.5Å; Y77-H96 VanDerWaalsContact CZ-CD2 3.5Å; H96-L98 PolarHBondContact O-N 3.24Å; H96-T99 PolarHBondContact ND1-OG1 3.47Å; H96-T99 PolarHBondContact O-N 3.24Å; H96-G100 WeakPolarHBondContact O-CA 3.17Å; H96-G100 PolarHBondContact O-N 2.83Å; H96-R101 PolarHBondContact N-O 3.09Å; H96-T381 PolarHBondContact CE1-OG1 2.89Å; H96-L384 HydrophobicContact CB-CD1 3.75Å
97	L	93.2	Very high	90.7	Very high	82 Å²	82	33.9 Å²	33.9	43%	0.429	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.8	-164.8	-72.6	171.4	0	0	0	113.9	I71 G75 K76 K78 I95 T99	I71-L97 HydrophobicContact CG2-CD1 4.37Å; G75-L97 WeakPolarHBondContact O-CD1 3.24Å; K76-L97 WeakPolarHBondContact O-CB 3.35Å; K76-L97 PolarHBondContact O-N 3.31Å; K78-L97 HydrophobicContact CB-CD2 3.91Å; K78-L97 HydrophobicContact CB-CG 4.31Å; I95-L97 PolarHBondContact O-N 3.34Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 2.94Å
98	L	91.5	Very high	91.6	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.325	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.4	180	-61	173.5	0	0	0	113.4	H96 F361 T381	H96-L98 PolarHBondContact O-N 3.24Å; L98-F361 HydrophobicContact CD1-CE2 3.94Å; L98-F361 HydrophobicContact CD1-CZ 3.86Å; L98-T381 HydrophobicContact CB-CG2 4.4Å; L98-T381 HydrophobicContact CD1-CG2 4.47Å
99	T	92.5	Very high	92.3	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-12.5	-178.6	62.8	0	0	0	0	114.5	H96 L97 R101 T381 L384 L385 T390 R393 I394	H96-T99 PolarHBondContact ND1-OG1 3.47Å; H96-T99 PolarHBondContact O-N 3.24Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 2.94Å; T99-R101 PolarHBondContact O-N 2.86Å; T99-T381 HydrophobicContact CG2-CG2 3.91Å; T99-L384 HydrophobicContact CG2-CB 4.02Å; T99-L385 HydrophobicContact CG2-CD2 3.8Å; T99-L385 HydrophobicContact CG2-CG 3.95Å; T99-T390 WeakPolarHBondContact O-CG2 3.38Å; T99-R393 PolarHBondContact O-NH2 3.48Å; T99-I394 HydrophobicContact CG2-CD1 4.21Å
100	G	91.8	Very high	92.2	Very high	33 Å²	33	29.2 Å²	29.2	34%	0.34	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	23.1	-173.9	0	0	0	0	0	113.9	H96 R393	H96-G100 WeakPolarHBondContact O-CA 3.17Å; H96-G100 PolarHBondContact O-N 2.83Å; G100-R393 PolarHBondContact O-NH2 2.77Å
101	R	94.2	Very high	91.6	Very high	71 Å²	71	30.8 Å²	30.8	27%	0.268	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	144.2	179.2	-72.2	-57.5	-123.6	-179.9	15.4	112.1	I95 H96 T99 L384 D387 E389 T390	I95-R101 WeakPolarHBondContact CA-O 3.49Å; H96-R101 PolarHBondContact N-O 3.09Å; T99-R101 PolarHBondContact O-N 2.86Å; R101-L384 HydrophobicContact CB-CD2 4.06Å; R101-D387 IonicContact CZ-OD1 3.89Å; R101-D387 IonicContact CZ-OD2 3.5Å; R101-D387 IonicContact NE-OD1 2.63Å; R101-D387 IonicContact NE-OD2 3.4Å; R101-D387 PolarHBondContact NE-OD2 2.85Å; R101-D387 IonicContact NH1-OD1 2.77Å; R101-D387 PolarHBondContact NH1-OD1 3.39Å; R101-D387 IonicContact NH2-OD1 3.99Å; R101-D387 PolarHBondContact NH2-OD1 2.81Å; R101-D387 VanDerWaalsContact NH2-OD1 3.08Å; R101-D387 IonicContact NH2-OD2 2.75Å; R101-D387 PolarHBondContact NH2-OD2 3.41Å; R101-E389 IonicContact NH1-OE2 3.86Å; R101-E389 PolarHBondContact NH1-OE2 3.4Å; R101-E389 VanDerWaalsContact NH1-OE2 3.08Å; R101-T390 WeakPolarHBondContact CD-OG1 3.48Å; R101-T390 HydrophobicContact CG-CG2 4.06Å; R101-T390 VanDerWaalsContact CZ-OG1 3.29Å; R101-T390 PolarHBondContact NE-OG1 2.87Å; R101-T390 PolarHBondContact NH1-OG1 3.21Å
102	E	95.8	Very high	90.6	Very high	71 Å²	71	35.5 Å²	35.5	33%	0.332	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.6	173.4	-60.7	-169.1	97.4	0	0	110.7	L93 A94 Y155 K157	L93-E102 HydrophobicContact CD1-CB 4.15Å; A94-E102 WeakPolarHBondContact O-CA 3.21Å; E102-Y155 HydrophobicContact CB-CD1 3.84Å; E102-K157 IonicContact OE2-NZ 2.74Å; E102-K157 PolarHBondContact OE2-NZ 3.42Å
103	V	96.7	Very high	89.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.6	179.5	-65.2	0	0	0	0	111.5	Y77 A94 I105 Y140 V152 L384	Y77-V103 HydrophobicContact CD1-CG2 3.78Å; Y77-V103 HydrophobicContact CE1-CG2 3.93Å; A94-V103 HydrophobicContact CB-CG2 4.08Å; A94-V103 PolarHBondContact N-O 2.76Å; A94-V103 PolarHBondContact O-N 2.97Å; V103-I105 HydrophobicContact CG2-CD1 4.45Å; V103-I105 HydrophobicContact CG2-CG1 4.25Å; V103-Y140 HydrophobicContact CG1-CD2 4.2Å; V103-Y140 HydrophobicContact CG1-CE2 4.23Å; V103-V152 HydrophobicContact CB-CG1 3.99Å; V103-V152 HydrophobicContact CG1-CG1 4.26Å; V103-V152 HydrophobicContact CG2-CG1 3.93Å; V103-L384 HydrophobicContact CG1-CD1 3.96Å; V103-L384 HydrophobicContact CG1-CD2 3.9Å
104	A	96.3	Very high	87.2	Confident	7 Å²	7	40.6 Å²	40.6	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.6	172.4	0	0	0	0	0	110.1	I83 V91 M153	I83-A104 HydrophobicContact CD1-CB 4.12Å; V91-A104 HydrophobicContact CG1-CB 4.17Å; A104-M153 PolarHBondContact N-O 3.08Å; A104-M153 PolarHBondContact O-N 3.35Å
105	I	95.4	Very high	85.1	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.2	-180	-55.8	-174.4	0	0	0	109.7	Y77 I79 V91 K92 A94 V103 M107 Y150 L151 V152	Y77-I105 HydrophobicContact CD1-CD1 4.05Å; Y77-I105 HydrophobicContact CG-CD1 3.99Å; I79-I105 HydrophobicContact CD1-CD1 4.03Å; V91-I105 WeakPolarHBondContact CA-O 3.03Å; K92-I105 PolarHBondContact N-O 3.31Å; K92-I105 PolarHBondContact O-N 3.12Å; A94-I105 HydrophobicContact CB-CD1 3.61Å; A94-I105 HydrophobicContact CB-CG1 4.07Å; V103-I105 HydrophobicContact CG2-CD1 4.45Å; V103-I105 HydrophobicContact CG2-CG1 4.25Å; I105-M107 HydrophobicContact CG2-CG 4.34Å; I105-M107 PolarHBondContact O-N 3.49Å; I105-Y150 HydrophobicContact CG2-CD1 3.97Å; I105-L151 CarbonylContact C-O 3.06Å; I105-L151 VanDerWaalsContact CA-O 3.31Å; I105-L151 WeakPolarHBondContact CA-O 3.42Å; I105-V152 HydrophobicContact CD1-CG2 4.29Å; I105-V152 HydrophobicContact CG1-CG1 4.35Å; I105-V152 HydrophobicContact CG1-CG2 4.21Å
106	K	91.5	Very high	83.1	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.5	173.3	-168.8	177.7	-165	-173.9	0	108.9	A89 V91 I108 E124 Y150 L151 M153 D217	A89-K106 HydrophobicContact CB-CD 4.43Å; A89-K106 HydrophobicContact CB-CG 3.94Å; V91-K106 HydrophobicContact CG2-CB 4.36Å; V91-K106 HydrophobicContact CG2-CG 4.16Å; K106-I108 HydrophobicContact CD-CD1 4.48Å; K106-I108 HydrophobicContact CG-CG1 4.25Å; K106-E124 WeakPolarHBondContact CE-OE1 3.33Å; K106-E124 IonicContact NZ-OE1 3.86Å; K106-E124 PolarHBondContact NZ-OE1 2.86Å; K106-Y150 WeakPolarHBondContact O-CA 3.1Å; K106-L151 HydrophobicContact CB-CB 4.28Å; K106-L151 PolarHBondContact N-O 2.83Å; K106-L151 PolarHBondContact O-N 3.37Å; K106-M153 HydrophobicContact CB-CE 3.82Å; K106-M153 HydrophobicContact CB-SD 4.48Å; K106-D217 IonicContact NZ-OD1 3.37Å; K106-D217 PolarHBondContact NZ-OD1 3.37Å; K106-D217 IonicContact NZ-OD2 3.83Å; K106-D217 PolarHBondContact NZ-OD2 3.33Å
107	M	90.5	Very high	81.5	Confident	37 Å²	37	53.2 Å²	53.2	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.3	176.4	-56.9	178.6	51.8	0	0	110	A89 K90 K92 I105 Y150	A89-M107 CarbonylContact C-O 3.56Å; A89-M107 WeakPolarHBondContact CA-O 3.32Å; K90-M107 PolarHBondContact N-O 3.02Å; K90-M107 WeakPolarHBondContact O-CB 3.47Å; K90-M107 PolarHBondContact O-N 3.12Å; K92-M107 HydrophobicContact CD-SD 3.95Å; K92-M107 VanDerWaalsContact CE-SD 3.59Å; K92-M107 HydrophobicContact CG-SD 4.19Å; I105-M107 HydrophobicContact CG2-CG 4.34Å; I105-M107 PolarHBondContact O-N 3.49Å; M107-Y150 HydrophobicContact CB-CD1 4.41Å; M107-Y150 HydrophobicContact CE-CE1 3.81Å; M107-Y150 HydrophobicContact CG-CD1 3.74Å; M107-Y150 HydrophobicContact CG-CE1 3.85Å; M107-Y150 HydrophobicContact SD-CE1 4.23Å
108	I	85	Confident	80.2	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	-179.5	-46.2	177.2	0	0	0	109.6	A89 K106 K110 L121 Y148 V149 L151	A89-I108 HydrophobicContact CB-CG1 3.99Å; K106-I108 HydrophobicContact CD-CD1 4.48Å; K106-I108 HydrophobicContact CG-CG1 4.25Å; I108-K110 PolarHBondContact O-N 2.85Å; I108-L121 HydrophobicContact CB-CD1 4.31Å; I108-L121 HydrophobicContact CD1-CD1 3.58Å; I108-L121 HydrophobicContact CG2-CD1 3.96Å; I108-L121 HydrophobicContact CG2-CD2 4.33Å; I108-Y148 VanDerWaalsContact O-CA 3.32Å; I108-Y148 WeakPolarHBondContact O-CA 3.45Å; I108-V149 PolarHBondContact N-O 3.19Å; I108-V149 PolarHBondContact O-N 3.41Å; I108-L151 HydrophobicContact CD1-CD1 4.3Å
109	D	82.6	Confident	79.1	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105.3	-179.8	-169	-8.6	0	0	0	110.1	I111 K112 R147 Y148	D109-I111 PolarHBondContact O-N 3.33Å; D109-I111 PolarHBondContact OD1-N 3.26Å; D109-K112 HydrophobicContact CB-CB 4.46Å; D109-K112 HydrophobicContact CB-CD 4.09Å; D109-K112 HydrophobicContact CB-CG 4.07Å; D109-K112 PolarHBondContact O-N 2.7Å; D109-K112 VanDerWaalsContact O-N 3.15Å; D109-K112 WeakPolarHBondContact OD2-CE 3.45Å; D109-R147 WeakPolarHBondContact OD1-CG 3.49Å; D109-R147 IonicContact OD1-CZ 3.18Å; D109-R147 IonicContact OD1-NE 2.74Å; D109-R147 PolarHBondContact OD1-NE 2.93Å; D109-R147 IonicContact OD1-NH2 2.72Å; D109-R147 IonicContact OD2-CZ 2.7Å; D109-R147 IonicContact OD2-NE 2.71Å; D109-R147 PolarHBondContact OD2-NE 3.14Å; D109-R147 IonicContact OD2-NH2 3.79Å; D109-R147 PolarHBondContact OD2-NH2 3.09Å; D109-Y148 HydrophobicContact CB-CD1 4.01Å; D109-Y148 HydrophobicContact CB-CE1 3.72Å
110	K	80.5	Confident	77.9	Confident	31 Å²	31	62.1 Å²	62.1	14%	0.135	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-56.1	-39.4	-176.7	-61.2	-178.4	-159.6	179.4	0	111.2	I108 K112 M113 Y114 L121 E144 T145 G146 R147 V149	I108-K110 PolarHBondContact O-N 2.85Å; K110-K112 PolarHBondContact O-N 2.76Å; K110-M113 WeakPolarHBondContact O-CB 3.48Å; K110-M113 PolarHBondContact O-N 3.21Å; K110-Y114 HydrophobicContact CB-CE2 4.17Å; K110-Y114 WeakPolarHBondContact O-CD2 3.38Å; K110-L121 HydrophobicContact CG-CD2 4.38Å; K110-E144 VanDerWaalsContact CE-OE1 3.27Å; K110-E144 WeakPolarHBondContact CE-OE1 3.36Å; K110-E144 VanDerWaalsContact NZ-CG 3.28Å; K110-E144 IonicContact NZ-OE1 3.57Å; K110-E144 PolarHBondContact NZ-OE1 3.41Å; K110-T145 WeakPolarHBondContact CE-O 3.46Å; K110-T145 PolarHBondContact NZ-O 3.26Å; K110-G146 PolarHBondContact NZ-O 2.92Å; K110-R147 VanDerWaalsContact CB-O 3.25Å; K110-R147 WeakPolarHBondContact CB-O 3.33Å; K110-R147 VanDerWaalsContact CG-O 3.26Å; K110-R147 WeakPolarHBondContact CG-O 2.93Å; K110-R147 PolarHBondContact N-O 2.76Å; K110-V149 HydrophobicContact CD-CG2 4.42Å; K110-V149 HydrophobicContact CG-CG2 4.11Å
111	I	75.9	Confident	77.2	Confident	102 Å²	102	61.3 Å²	61.3	52%	0.523	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57	-37.2	-176.1	-61.4	-179.3	0	0	0	110.9	D109 M113 R147	D109-I111 PolarHBondContact O-N 3.33Å; D109-I111 PolarHBondContact OD1-N 3.26Å; I111-M113 PolarHBondContact O-N 2.89Å; I111-R147 HydrophobicContact CD1-CG 3.82Å; I111-R147 HydrophobicContact CG1-CG 4.1Å
112	K	69.9	Low	76.4	Confident	130 Å²	130	62.3 Å²	62.3	57%	0.565	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73	-3.3	179.5	-61.4	-173.3	-178.6	-173.7	0	114.5	D109 K110	D109-K112 HydrophobicContact CB-CB 4.46Å; D109-K112 HydrophobicContact CB-CD 4.09Å; D109-K112 HydrophobicContact CB-CG 4.07Å; D109-K112 PolarHBondContact O-N 2.7Å; D109-K112 VanDerWaalsContact O-N 3.15Å; D109-K112 WeakPolarHBondContact OD2-CE 3.45Å; K110-K112 PolarHBondContact O-N 2.76Å
113	M	64.9	Low	75.6	Confident	17 Å²	17	63 Å²	63	8%	0.084	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-114	-1	-174.5	-59	-84.2	75.2	0	0	114.3	F88 K110 I111 K115 C117 R118	F88-M113 HydrophobicContact CB-CE 3.8Å; F88-M113 HydrophobicContact CB-SD 3.95Å; F88-M113 HydrophobicContact CD1-CE 3.22Å; F88-M113 HydrophobicContact CD1-SD 4.46Å; F88-M113 HydrophobicContact CD2-CE 3.7Å; F88-M113 HydrophobicContact CD2-SD 4.4Å; F88-M113 HydrophobicContact CE1-CE 3.58Å; F88-M113 HydrophobicContact CE2-CE 4.02Å; F88-M113 HydrophobicContact CG-CE 3.27Å; F88-M113 HydrophobicContact CG-SD 4.04Å; F88-M113 HydrophobicContact CZ-CE 3.97Å; K110-M113 WeakPolarHBondContact O-CB 3.48Å; K110-M113 PolarHBondContact O-N 3.21Å; I111-M113 PolarHBondContact O-N 2.89Å; M113-K115 PolarHBondContact O-N 3.1Å; M113-K115 VanDerWaalsContact O-N 3.11Å; M113-C117 HydrophobicContact CB-CB 3.94Å; M113-C117 HydrophobicContact CE-CB 3.46Å; M113-C117 VanDerWaalsContact CE-CB 3.46Å; M113-C117 HydrophobicContact CG-CB 4.33Å; M113-C117 CarbonylContact O-C 3.56Å; M113-C117 PolarHBondContact O-N 2.73Å; M113-C117 HydrophobicContact SD-CB 3.5Å; M113-C117 WeakPolarHBondContact SD-CB 3.43Å; M113-R118 PolarHBondContact O-N 2.88Å
114	Y	54	Low	74.8	Confident	126 Å²	126	63.9 Å²	63.9	49%	0.494	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.8	-151	-116.7	-86.2	0	0	0	118.9	K110 R118	K110-Y114 HydrophobicContact CB-CE2 4.17Å; K110-Y114 WeakPolarHBondContact O-CD2 3.38Å; Y114-R118 PolarHBondContact OH-NH2 2.96Å
115	K	54.5	Low	74.2	Confident	181 Å²	181	64.6 Å²	64.6	79%	0.787	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-43.8	-179.5	-102.2	-174.3	172.4	-173.9	0	115.2	M113	M113-K115 PolarHBondContact O-N 3.1Å; M113-K115 VanDerWaalsContact O-N 3.11Å
116	T	53.6	Low	73.9	Confident	113 Å²	113	72.6 Å²	72.6	69%	0.693	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-4	-171.1	-0.7	0	0	0	0	114.4
117	C	60.3	Low	73.7	Confident	23 Å²	23	72.1 Å²	72.1	16%	0.155	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	3.4	-175.3	-68.2	0	0	0	0	114.2	M113 D119 K120 L121	M113-C117 HydrophobicContact CB-CB 3.94Å; M113-C117 HydrophobicContact CE-CB 3.46Å; M113-C117 VanDerWaalsContact CE-CB 3.46Å; M113-C117 HydrophobicContact CG-CB 4.33Å; M113-C117 CarbonylContact O-C 3.56Å; M113-C117 PolarHBondContact O-N 2.73Å; M113-C117 HydrophobicContact SD-CB 3.5Å; M113-C117 WeakPolarHBondContact SD-CB 3.43Å; C117-D119 VanDerWaalsContact C-N 3.27Å; C117-D119 PolarHBondContact O-N 2.7Å; C117-K120 HydrophobicContact CB-CB 4.45Å; C117-K120 WeakPolarHBondContact O-CB 3.43Å; C117-K120 PolarHBondContact O-N 3.19Å; C117-L121 PolarHBondContact O-N 3.02Å
118	R	66.6	Low	73.6	Confident	137 Å²	137	70.9 Å²	70.9	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-40.6	177.3	-154.1	-176.3	-154.2	-165.7	8.4	111.6	M113 Y114 K120 L121 T122	M113-R118 PolarHBondContact O-N 2.88Å; Y114-R118 PolarHBondContact OH-NH2 2.96Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-L121 PolarHBondContact O-N 2.77Å; R118-T122 WeakPolarHBondContact O-CB 3.25Å; R118-T122 PolarHBondContact O-N 2.95Å; R118-T122 PolarHBondContact O-OG1 3.04Å
119	D	68.4	Low	73.9	Confident	114 Å²	114	75 Å²	75	61%	0.61	35%	0.346	S	S	*	.	H	α-helix	trans	-70.3	-30.3	175.6	-58.3	-14	0	0	0	112.1	C117 R123	C117-D119 VanDerWaalsContact C-N 3.27Å; C117-D119 PolarHBondContact O-N 2.7Å; D119-R123 WeakPolarHBondContact O-CB 3.34Å; D119-R123 PolarHBondContact O-N 2.81Å; D119-R123 PolarHBondContact O-NH1 2.7Å
120	K	68.5	Low	74.3	Confident	83 Å²	83	76.5 Å²	76.5	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-48	173.4	-63.4	-167.2	180	-171	0	110.4	C117 R118 R123 E124	C117-K120 HydrophobicContact CB-CB 4.45Å; C117-K120 WeakPolarHBondContact O-CB 3.43Å; C117-K120 PolarHBondContact O-N 3.19Å; R118-K120 VanDerWaalsContact C-N 3.33Å; K120-R123 PolarHBondContact O-N 3.42Å; K120-E124 WeakPolarHBondContact O-CB 3.32Å; K120-E124 PolarHBondContact O-N 3.18Å
121	L	75.5	Confident	74.8	Confident	17 Å²	17	75.6 Å²	75.6	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-47.6	175.7	176.6	55	0	0	0	112.2	I108 K110 C117 R118 R123 E124 V125 V149	I108-L121 HydrophobicContact CB-CD1 4.31Å; I108-L121 HydrophobicContact CD1-CD1 3.58Å; I108-L121 HydrophobicContact CG2-CD1 3.96Å; I108-L121 HydrophobicContact CG2-CD2 4.33Å; K110-L121 HydrophobicContact CG-CD2 4.38Å; C117-L121 PolarHBondContact O-N 3.02Å; R118-L121 PolarHBondContact O-N 2.77Å; L121-R123 VanDerWaalsContact C-N 3.28Å; L121-R123 PolarHBondContact O-N 3.33Å; L121-E124 PolarHBondContact O-N 3.22Å; L121-V125 HydrophobicContact CD1-CG2 4.02Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.49Å; L121-V149 HydrophobicContact CD2-CG2 4.29Å
122	T	78.3	Confident	75.6	Confident	91 Å²	91	72.3 Å²	72.3	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-62.9	-37.7	179.7	-54.3	0	0	0	0	111.5	R118 R126	R118-T122 WeakPolarHBondContact O-CB 3.25Å; R118-T122 PolarHBondContact O-N 2.95Å; R118-T122 PolarHBondContact O-OG1 3.04Å; T122-R126 VanDerWaalsContact O-CB 3.26Å; T122-R126 WeakPolarHBondContact O-CB 3.41Å; T122-R126 PolarHBondContact O-N 3.21Å
123	R	78.9	Confident	76.9	Confident	85 Å²	85	66.3 Å²	66.3	32%	0.321	31%	0.312	S	S	.	.	H	α-helix	trans	-68.6	-46.7	174.2	176.6	-173.4	-81.1	101.6	-15.3	112.2	D119 K120 L121 V125 R126 V127 A221 N222	D119-R123 WeakPolarHBondContact O-CB 3.34Å; D119-R123 PolarHBondContact O-N 2.81Å; D119-R123 PolarHBondContact O-NH1 2.7Å; K120-R123 PolarHBondContact O-N 3.42Å; L121-R123 VanDerWaalsContact C-N 3.28Å; L121-R123 PolarHBondContact O-N 3.33Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 PolarHBondContact O-N 3.38Å; R123-R126 PolarHBondContact O-N 3.19Å; R123-V127 HydrophobicContact CG-CG2 4.26Å; R123-V127 VanDerWaalsContact O-CB 3.31Å; R123-V127 WeakPolarHBondContact O-CB 3.32Å; R123-V127 VanDerWaalsContact O-CG2 3.29Å; R123-V127 WeakPolarHBondContact O-CG2 3.37Å; R123-V127 PolarHBondContact O-N 3.44Å; R123-A221 VanDerWaalsContact CD-O 3.31Å; R123-A221 WeakPolarHBondContact CD-O 3.46Å; R123-N222 WeakPolarHBondContact CD-OD1 3.27Å; R123-N222 PolarHBondContact NE-OD1 2.87Å
124	E	79.9	Confident	78.4	Confident	20 Å²	20	68.5 Å²	68.5	9%	0.093	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-48.2	176.1	-177.2	-172.8	164.3	0	0	110.8	K106 K120 L121 R126 V127 T128	K106-E124 WeakPolarHBondContact CE-OE1 3.33Å; K106-E124 IonicContact NZ-OE1 3.86Å; K106-E124 PolarHBondContact NZ-OE1 2.86Å; K120-E124 WeakPolarHBondContact O-CB 3.32Å; K120-E124 PolarHBondContact O-N 3.18Å; L121-E124 PolarHBondContact O-N 3.22Å; E124-R126 PolarHBondContact O-N 3.15Å; E124-V127 PolarHBondContact O-N 3.41Å; E124-T128 WeakPolarHBondContact O-CB 3.28Å; E124-T128 PolarHBondContact O-N 2.87Å; E124-T128 PolarHBondContact O-OG1 3.17Å
125	V	84.2	Confident	80.5	Confident	21 Å²	21	63.4 Å²	63.4	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-39.9	178.1	178.4	0	0	0	0	111.4	L121 R123 K129 V142 V149 L151	L121-V125 HydrophobicContact CD1-CG2 4.02Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.49Å; R123-V125 VanDerWaalsContact C-N 3.34Å; R123-V125 PolarHBondContact O-N 3.38Å; V125-K129 HydrophobicContact CG1-CD 4.17Å; V125-K129 VanDerWaalsContact O-CB 3.31Å; V125-K129 WeakPolarHBondContact O-CB 3.43Å; V125-K129 VanDerWaalsContact O-CG 3.25Å; V125-K129 WeakPolarHBondContact O-CG 3.48Å; V125-K129 PolarHBondContact O-N 3.24Å; V125-V142 HydrophobicContact CG1-CG1 4.34Å; V125-V149 HydrophobicContact CG2-CG1 4.28Å; V125-L151 HydrophobicContact CG2-CD2 4.13Å
126	R	87.8	Confident	82.5	Confident	173 Å²	173	54.9 Å²	54.9	65%	0.653	27%	0.272	S	S	*	.	H	α-helix	trans	-65.4	-47.4	176.9	176.5	176.6	172.1	156.1	0.5	112	T122 R123 E124 K129 S130	T122-R126 VanDerWaalsContact O-CB 3.26Å; T122-R126 WeakPolarHBondContact O-CB 3.41Å; T122-R126 PolarHBondContact O-N 3.21Å; R123-R126 PolarHBondContact O-N 3.19Å; E124-R126 PolarHBondContact O-N 3.15Å; R126-K129 PolarHBondContact O-N 3.02Å; R126-S130 WeakPolarHBondContact O-CB 3.48Å; R126-S130 PolarHBondContact O-N 3.29Å; R126-S130 VanDerWaalsContact O-N 3.12Å; R126-S130 PolarHBondContact O-OG 2.97Å
127	V	87.3	Confident	84.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-53.4	177.6	164.6	0	0	0	0	109.9	R123 E124 K129 S130 I131 I195 F218 A221	R123-V127 HydrophobicContact CG-CG2 4.26Å; R123-V127 VanDerWaalsContact O-CB 3.31Å; R123-V127 WeakPolarHBondContact O-CB 3.32Å; R123-V127 VanDerWaalsContact O-CG2 3.29Å; R123-V127 WeakPolarHBondContact O-CG2 3.37Å; R123-V127 PolarHBondContact O-N 3.44Å; E124-V127 PolarHBondContact O-N 3.41Å; V127-K129 VanDerWaalsContact C-N 3.3Å; V127-K129 PolarHBondContact O-N 2.86Å; V127-S130 WeakPolarHBondContact O-CA 3.45Å; V127-S130 PolarHBondContact O-N 3.04Å; V127-S130 PolarHBondContact O-OG 2.81Å; V127-I131 HydrophobicContact CG1-CD1 3.67Å; V127-I131 WeakPolarHBondContact O-CG1 3.35Å; V127-I131 PolarHBondContact O-N 2.69Å; V127-I195 HydrophobicContact CG1-CD1 4.31Å; V127-I195 HydrophobicContact CG1-CG2 3.87Å; V127-I195 HydrophobicContact CG2-CG2 4.47Å; V127-F218 HydrophobicContact CG1-CB 3.88Å; V127-F218 HydrophobicContact CG1-CD1 3.71Å; V127-F218 HydrophobicContact CG1-CG 3.94Å; V127-A221 HydrophobicContact CG1-CB 4.29Å
128	T	88.8	Confident	86.1	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-34	-179.7	-44.6	0	0	0	0	112.3	E124 S130 L139	E124-T128 WeakPolarHBondContact O-CB 3.28Å; E124-T128 PolarHBondContact O-N 2.87Å; E124-T128 PolarHBondContact O-OG1 3.17Å; T128-S130 VanDerWaalsContact C-N 3.29Å; T128-S130 PolarHBondContact O-N 2.74Å; T128-L139 HydrophobicContact CG2-CB 4.06Å; T128-L139 HydrophobicContact CG2-CD1 4.35Å; T128-L139 HydrophobicContact CG2-CD2 3.94Å; T128-L139 HydrophobicContact CG2-CG 4.35Å
129	K	90.9	Very high	87.5	Confident	88 Å²	88	44.3 Å²	44.3	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-72	-17.4	171.5	-76.4	-177.2	178.3	-175.8	0	114.5	V125 R126 V127 L139 V142 F375	V125-K129 HydrophobicContact CG1-CD 4.17Å; V125-K129 VanDerWaalsContact O-CB 3.31Å; V125-K129 WeakPolarHBondContact O-CB 3.43Å; V125-K129 VanDerWaalsContact O-CG 3.25Å; V125-K129 WeakPolarHBondContact O-CG 3.48Å; V125-K129 PolarHBondContact O-N 3.24Å; R126-K129 PolarHBondContact O-N 3.02Å; V127-K129 VanDerWaalsContact C-N 3.3Å; V127-K129 PolarHBondContact O-N 2.86Å; K129-L139 HydrophobicContact CB-CD2 4.45Å; K129-L139 HydrophobicContact CG-CD2 3.69Å; K129-V142 VanDerWaalsContact CE-CG2 3.48Å; K129-V142 HydrophobicContact CG-CG2 4.46Å; K129-F375 HydrophobicContact CB-CD2 4.28Å; K129-F375 HydrophobicContact CB-CE2 3.74Å; K129-F375 HydrophobicContact CB-CZ 3.93Å; K129-F375 HydrophobicContact CD-CD2 3.8Å; K129-F375 HydrophobicContact CD-CE2 4.11Å; K129-F375 HydrophobicContact CD-CG 4.32Å; K129-F375 HydrophobicContact CG-CD1 4.33Å; K129-F375 HydrophobicContact CG-CD2 3.71Å; K129-F375 HydrophobicContact CG-CE1 4.29Å; K129-F375 HydrophobicContact CG-CE2 3.68Å; K129-F375 HydrophobicContact CG-CG 4.04Å; K129-F375 HydrophobicContact CG-CZ 3.98Å; K129-F375 WeakPolarHBondContact O-CZ 3.37Å
130	S	90.8	Very high	88.7	Confident	43 Å²	43	40.4 Å²	40.4	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-96.7	-3.1	-177.4	73.5	0	0	0	0	114.1	R126 V127 T128 K193	R126-S130 WeakPolarHBondContact O-CB 3.48Å; R126-S130 PolarHBondContact O-N 3.29Å; R126-S130 VanDerWaalsContact O-N 3.12Å; R126-S130 PolarHBondContact O-OG 2.97Å; V127-S130 WeakPolarHBondContact O-CA 3.45Å; V127-S130 PolarHBondContact O-N 3.04Å; V127-S130 PolarHBondContact O-OG 2.81Å; T128-S130 VanDerWaalsContact C-N 3.29Å; T128-S130 PolarHBondContact O-N 2.74Å; S130-K193 PolarHBondContact O-NZ 3.12Å
131	I	91.7	Very high	90	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.062	18%	0.181	C	C	.	.			trans	-113	136.5	-170.5	-77.1	175.2	0	0	0	110.7	V127 I136 Y189 I195 F218	V127-I131 HydrophobicContact CG1-CD1 3.67Å; V127-I131 WeakPolarHBondContact O-CG1 3.35Å; V127-I131 PolarHBondContact O-N 2.69Å; I131-I136 HydrophobicContact CG2-CB 4.16Å; I131-I136 HydrophobicContact CG2-CD1 3.66Å; I131-I136 HydrophobicContact CG2-CG1 4.49Å; I131-I136 HydrophobicContact CG2-CG2 3.71Å; I131-Y189 HydrophobicContact CG1-CE1 4.46Å; I131-Y189 HydrophobicContact CG2-CE1 4.18Å; I131-I195 HydrophobicContact CD1-CD1 4.01Å; I131-I195 HydrophobicContact CD1-CG2 4.43Å; I131-I195 HydrophobicContact CG1-CD1 4.03Å; I131-F218 HydrophobicContact CD1-CD1 3.88Å; I131-F218 HydrophobicContact CD1-CE1 3.48Å; I131-F218 VanDerWaalsContact CD1-CE1 3.48Å; I131-F218 HydrophobicContact CD1-CE2 4.39Å; I131-F218 HydrophobicContact CD1-CG 4.49Å; I131-F218 HydrophobicContact CD1-CZ 3.79Å
132	N	92.8	Very high	90.9	Very high	33 Å²	33	37.1 Å²	37.1	18%	0.176	18%	0.184	C	C	.	.			trans	-158.9	91.8	-174.2	173.8	24.1	0	0	0	109.3	Y189 E342	N132-Y189 PolarHBondContact N-OH 3.03Å; N132-Y189 PolarHBondContact O-OH 3.33Å; N132-E342 HydrophobicContact CB-CG 4.31Å; N132-E342 WeakPolarHBondContact CB-OE1 3.3Å; N132-E342 WeakPolarHBondContact ND2-CG 3.43Å; N132-E342 PolarHBondContact ND2-OE1 2.93Å
133	H	96.7	Very high	91.5	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	16%	0.16	C	C	.	.			trans	-148.6	139.2	-174.7	179.6	-81.9	0	0	0	109.1	N135 I136 S185 A186 Y189 Y340	H133-N135 PolarHBondContact ND1-N 2.86Å; H133-N135 PolarHBondContact O-N 2.9Å; H133-N135 VanDerWaalsContact O-N 3.13Å; H133-I136 HydrophobicContact CB-CB 4.3Å; H133-I136 HydrophobicContact CB-CD1 3.77Å; H133-I136 HydrophobicContact CB-CG1 3.91Å; H133-I136 PolarHBondContact O-N 2.73Å; H133-S185 PolarHBondContact NE2-O 2.95Å; H133-S185 PolarHBondContact NE2-OG 2.97Å; H133-A186 VanDerWaalsContact CE1-CA 3.49Å; H133-A186 WeakPolarHBondContact CE1-CA 3.44Å; H133-A186 PolarHBondContact CE1-N 2.74Å; H133-Y189 HydrophobicContact CB-CD1 3.77Å; H133-Y189 HydrophobicContact CB-CE1 3.84Å; H133-Y189 HydrophobicContact CB-CG 4.24Å; H133-Y189 AromaticContact CD2-CG 3.78Å; H133-Y340 HydrophobicContact CB-CE1 4.33Å; H133-Y340 AromaticContact CD2-CD1 3.39Å; H133-Y340 WeakPolarHBondContact CD2-CD1 3.27Å; H133-Y340 AromaticContact CD2-CE1 3.87Å; H133-Y340 AromaticContact CD2-CG 3.49Å; H133-Y340 VanDerWaalsContact CD2-CG 3.49Å; H133-Y340 AromaticContact NE2-CG 3.81Å
134	P	96.3	Very high	92	Very high	64 Å²	64	35.5 Å²	35.5	42%	0.416	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.6	-172.6	22.2	-34.8	0	0	0	114	K214 Y340	P134-K214 WeakPolarHBondContact O-CE 3.4Å; P134-K214 PolarHBondContact O-NZ 3.13Å; P134-Y340 VanDerWaalsContact CD-CE2 3.47Å; P134-Y340 VanDerWaalsContact CD-CZ 3.46Å; P134-Y340 WeakPolarHBondContact CD-OH 3.4Å; P134-Y340 HydrophobicContact CG-CE2 3.99Å
135	N	97.8	Very high	92.4	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	20.8	177.9	-56.7	107.3	0	0	0	115	H133 Q182 A186 I213 K214 L215	H133-N135 PolarHBondContact ND1-N 2.86Å; H133-N135 PolarHBondContact O-N 2.9Å; H133-N135 VanDerWaalsContact O-N 3.13Å; N135-Q182 HydrophobicContact CB-CB 4.14Å; N135-A186 HydrophobicContact CB-CB 4.32Å; N135-I213 WeakPolarHBondContact CA-O 3.43Å; N135-I213 VanDerWaalsContact CB-O 3.27Å; N135-I213 WeakPolarHBondContact CB-O 3.28Å; N135-I213 PolarHBondContact ND2-O 3.31Å; N135-K214 WeakPolarHBondContact O-CA 3.45Å; N135-L215 PolarHBondContact O-N 3.08Å
136	I	97	Very high	92.4	Very high	3 Å²	3	39 Å²	39	2%	0.015	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-119.5	143.9	168.4	-55.9	177.8	0	0	0	108	I131 H133 Q138 A186 Y189 C190 L215 F218	I131-I136 HydrophobicContact CG2-CB 4.16Å; I131-I136 HydrophobicContact CG2-CD1 3.66Å; I131-I136 HydrophobicContact CG2-CG1 4.49Å; I131-I136 HydrophobicContact CG2-CG2 3.71Å; H133-I136 HydrophobicContact CB-CB 4.3Å; H133-I136 HydrophobicContact CB-CD1 3.77Å; H133-I136 HydrophobicContact CB-CG1 3.91Å; H133-I136 PolarHBondContact O-N 2.73Å; I136-Q138 PolarHBondContact O-N 3.25Å; I136-Q138 VanDerWaalsContact O-N 3.11Å; I136-A186 HydrophobicContact CD1-CB 4.15Å; I136-A186 HydrophobicContact CG1-CB 3.76Å; I136-Y189 HydrophobicContact CD1-CD1 3.97Å; I136-Y189 HydrophobicContact CD1-CE1 4.33Å; I136-C190 VanDerWaalsContact CD1-SG 3.59Å; I136-L215 HydrophobicContact CG1-CB 4.28Å; I136-L215 HydrophobicContact CG1-CD2 4.49Å; I136-F218 HydrophobicContact CD1-CZ 4.28Å; I136-F218 HydrophobicContact CG2-CE2 3.51Å; I136-F218 HydrophobicContact CG2-CZ 3.66Å
137	V	95.8	Very high	92.3	Very high	17 Å²	17	36 Å²	36	10%	0.103	20%	0.201	C	C	.	.			trans	-57.3	113.8	177.8	168.1	0	0	0	0	110.7	M153 E154 L206 K214 L215 A216	V137-M153 HydrophobicContact CG1-CB 3.77Å; V137-M153 HydrophobicContact CG1-CG 4.5Å; V137-M153 HydrophobicContact CG1-SD 4.34Å; V137-E154 HydrophobicContact CG1-CB 4.24Å; V137-L206 HydrophobicContact CG2-CD1 4.22Å; V137-K214 HydrophobicContact CG2-CB 3.94Å; V137-L215 WeakPolarHBondContact CG2-O 3.47Å; V137-L215 PolarHBondContact N-O 2.9Å; V137-A216 HydrophobicContact CG2-CB 3.87Å
138	Q	94.9	Very high	92.3	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	21%	0.213	C	C	.	.			trans	-68.2	135.8	-177.3	-177.7	56.5	54.3	0	0	112.3	I136 Y140 M153 E154	I136-Q138 PolarHBondContact O-N 3.25Å; I136-Q138 VanDerWaalsContact O-N 3.11Å; Q138-Y140 HydrophobicContact CB-CE1 4.26Å; Q138-Y140 HydrophobicContact CG-CD1 4.08Å; Q138-Y140 HydrophobicContact CG-CE1 3.69Å; Q138-M153 CarbonylContact O-C 3.58Å; Q138-M153 WeakPolarHBondContact O-CA 3.1Å; Q138-E154 HydrophobicContact CB-CB 4.17Å; Q138-E154 PolarHBondContact N-OE2 3.2Å; Q138-E154 PolarHBondContact O-N 2.92Å
139	L	95	Very high	92.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.3	170.8	-176.1	68	0	0	0	111.3	T128 K129 V142 L151 M153 F375 R379	T128-L139 HydrophobicContact CG2-CB 4.06Å; T128-L139 HydrophobicContact CG2-CD1 4.35Å; T128-L139 HydrophobicContact CG2-CD2 3.94Å; T128-L139 HydrophobicContact CG2-CG 4.35Å; K129-L139 HydrophobicContact CB-CD2 4.45Å; K129-L139 HydrophobicContact CG-CD2 3.69Å; L139-V142 HydrophobicContact CD1-CG2 4.11Å; L139-V142 HydrophobicContact CD2-CG2 3.82Å; L139-V142 HydrophobicContact CG-CG2 4.3Å; L139-L151 HydrophobicContact CD1-CB 3.94Å; L139-M153 HydrophobicContact CD1-CG 3.92Å; L139-F375 HydrophobicContact CB-CD1 4.44Å; L139-F375 HydrophobicContact CB-CE1 4.11Å; L139-F375 HydrophobicContact CD2-CD1 3.66Å; L139-F375 HydrophobicContact CD2-CE1 3.66Å; L139-F375 HydrophobicContact CD2-CG 4.45Å; L139-F375 HydrophobicContact CD2-CZ 4.46Å; L139-F375 HydrophobicContact CG-CD1 3.77Å; L139-F375 HydrophobicContact CG-CE1 3.89Å; L139-R379 PolarHBondContact O-NH1 2.85Å
140	Y	94.9	Very high	92.4	Very high	32 Å²	32	36.2 Å²	36.2	13%	0.125	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-59.7	-179.6	-58.5	-54.1	0	0	0	112.1	V103 Q138 V152 E154 L383 L384	V103-Y140 HydrophobicContact CG1-CD2 4.2Å; V103-Y140 HydrophobicContact CG1-CE2 4.23Å; Q138-Y140 HydrophobicContact CB-CE1 4.26Å; Q138-Y140 HydrophobicContact CG-CD1 4.08Å; Q138-Y140 HydrophobicContact CG-CE1 3.69Å; Y140-V152 PolarHBondContact N-O 3.35Å; Y140-E154 HydrophobicContact CE2-CB 4.26Å; Y140-L383 HydrophobicContact CD1-CB 3.88Å; Y140-L383 HydrophobicContact CD1-CD1 4.11Å; Y140-L383 HydrophobicContact CE1-CB 4.11Å; Y140-L384 HydrophobicContact CD2-CD2 4Å; Y140-L384 HydrophobicContact CD2-CG 4.42Å; Y140-L384 HydrophobicContact CE1-CD2 4.23Å; Y140-L384 HydrophobicContact CE2-CD2 3.62Å; Y140-L384 HydrophobicContact CE2-CG 4.47Å; Y140-L384 HydrophobicContact CG-CD2 4.44Å; Y140-L384 HydrophobicContact CG-CG 4.46Å
141	E	95.1	Very high	92.5	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.5	-177.1	-163.3	170.8	178.8	0	0	111.5	Y77 I143 V152 F375 N377 A380	Y77-E141 VanDerWaalsContact CE2-OE2 3.23Å; Y77-E141 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E141 PolarHBondContact OH-OE2 3.05Å; E141-I143 HydrophobicContact CG-CD1 4.49Å; E141-I143 HydrophobicContact CG-CG1 3.81Å; E141-V152 HydrophobicContact CB-CB 3.91Å; E141-V152 HydrophobicContact CB-CG2 3.95Å; E141-V152 PolarHBondContact N-O 3.33Å; E141-V152 PolarHBondContact O-N 3.14Å; E141-F375 WeakPolarHBondContact CG-O 3.41Å; E141-N377 VanDerWaalsContact CD-N 3.32Å; E141-N377 WeakPolarHBondContact OE1-CB 3.31Å; E141-N377 PolarHBondContact OE1-N 3.23Å; E141-N377 VanDerWaalsContact OE1-N 3.13Å; E141-A380 HydrophobicContact CB-CB 3.91Å
142	V	93.2	Very high	92.7	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.139	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107.8	166	178.2	0	0	0	0	108.8	V125 K129 L139 V149 Y150 L151 F375	V125-V142 HydrophobicContact CG1-CG1 4.34Å; K129-V142 VanDerWaalsContact CE-CG2 3.48Å; K129-V142 HydrophobicContact CG-CG2 4.46Å; L139-V142 HydrophobicContact CD1-CG2 4.11Å; L139-V142 HydrophobicContact CD2-CG2 3.82Å; L139-V142 HydrophobicContact CG-CG2 4.3Å; V142-V149 HydrophobicContact CG1-CG1 4.16Å; V142-Y150 WeakPolarHBondContact CA-O 3.45Å; V142-L151 HydrophobicContact CB-CD2 4.32Å; V142-L151 HydrophobicContact CG1-CD2 3.89Å; V142-L151 HydrophobicContact CG2-CD2 3.67Å; V142-F375 HydrophobicContact CB-CB 4.27Å; V142-F375 HydrophobicContact CG2-CB 4.08Å; V142-F375 PolarHBondContact N-O 2.93Å
143	I	92.7	Very high	92.9	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.4	177.8	-48.9	174.6	0	0	0	108.1	N72 N74 Y77 E141 Y150 V152	N72-I143 VanDerWaalsContact ND2-CD1 3.33Å; N72-I143 WeakPolarHBondContact ND2-CD1 3.33Å; N74-I143 WeakPolarHBondContact ND2-CG2 3.46Å; Y77-I143 HydrophobicContact CD2-CD1 4.34Å; Y77-I143 HydrophobicContact CE2-CD1 4.06Å; E141-I143 HydrophobicContact CG-CD1 4.49Å; E141-I143 HydrophobicContact CG-CG1 3.81Å; I143-Y150 HydrophobicContact CB-CD2 4.38Å; I143-Y150 PolarHBondContact N-O 2.91Å; I143-Y150 PolarHBondContact O-N 3.21Å; I143-V152 HydrophobicContact CD1-CG2 4.37Å
144	E	88.7	Confident	92.8	Very high	131 Å²	131	34.9 Å²	34.9	61%	0.612	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.9	178	-171.5	165.5	178.6	0	0	110.6	K110 V149	K110-E144 VanDerWaalsContact CE-OE1 3.27Å; K110-E144 WeakPolarHBondContact CE-OE1 3.36Å; K110-E144 VanDerWaalsContact NZ-CG 3.28Å; K110-E144 IonicContact NZ-OE1 3.57Å; K110-E144 PolarHBondContact NZ-OE1 3.41Å; E144-V149 HydrophobicContact CG-CG2 4.33Å
145	T	87.8	Confident	92.8	Very high	38 Å²	38	34 Å²	34	23%	0.233	18%	0.175	C	C	.	.			trans	-117	173.5	171.3	66.7	0	0	0	0	109.1	K110 R147 Y148 Y150	K110-T145 WeakPolarHBondContact CE-O 3.46Å; K110-T145 PolarHBondContact NZ-O 3.26Å; T145-R147 VanDerWaalsContact C-N 3.25Å; T145-R147 PolarHBondContact O-N 2.94Å; T145-Y148 PolarHBondContact N-O 3.5Å; T145-Y148 PolarHBondContact OG1-N 2.72Å; T145-Y148 VanDerWaalsContact OG1-N 3.08Å; T145-Y148 PolarHBondContact OG1-O 2.88Å; T145-Y150 HydrophobicContact CG2-CE2 3.92Å
146	G	84.4	Confident	92.7	Very high	77 Å²	77	33.4 Å²	33.4	79%	0.794	17%	0.173	S	C	*	.	S	Bend	trans	-52	-42.3	178.3	0	0	0	0	0	113.6	K110	K110-G146 PolarHBondContact NZ-O 2.92Å
147	R	85.6	Confident	92.5	Very high	110 Å²	110	36.7 Å²	36.7	42%	0.415	19%	0.187	S	C	.	.	S	Bend	trans	-97.8	-32.9	-177.2	179.1	168.8	178.6	175.7	-2.5	115.3	D109 K110 I111 T145	D109-R147 WeakPolarHBondContact OD1-CG 3.49Å; D109-R147 IonicContact OD1-CZ 3.18Å; D109-R147 IonicContact OD1-NE 2.74Å; D109-R147 PolarHBondContact OD1-NE 2.93Å; D109-R147 IonicContact OD1-NH2 2.72Å; D109-R147 IonicContact OD2-CZ 2.7Å; D109-R147 IonicContact OD2-NE 2.71Å; D109-R147 PolarHBondContact OD2-NE 3.14Å; D109-R147 IonicContact OD2-NH2 3.79Å; D109-R147 PolarHBondContact OD2-NH2 3.09Å; K110-R147 VanDerWaalsContact CB-O 3.25Å; K110-R147 WeakPolarHBondContact CB-O 3.33Å; K110-R147 VanDerWaalsContact CG-O 3.26Å; K110-R147 WeakPolarHBondContact CG-O 2.93Å; K110-R147 PolarHBondContact N-O 2.76Å; I111-R147 HydrophobicContact CD1-CG 3.82Å; I111-R147 HydrophobicContact CG1-CG 4.1Å; T145-R147 VanDerWaalsContact C-N 3.25Å; T145-R147 PolarHBondContact O-N 2.94Å
148	Y	87.9	Confident	92.5	Very high	64 Å²	64	39 Å²	39	25%	0.251	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147	-168.5	-62.6	-77.7	0	0	0	112.6	I108 D109 T145 Y150	I108-Y148 VanDerWaalsContact O-CA 3.32Å; I108-Y148 WeakPolarHBondContact O-CA 3.45Å; D109-Y148 HydrophobicContact CB-CD1 4.01Å; D109-Y148 HydrophobicContact CB-CE1 3.72Å; T145-Y148 PolarHBondContact N-O 3.5Å; T145-Y148 PolarHBondContact OG1-N 2.72Å; T145-Y148 VanDerWaalsContact OG1-N 3.08Å; T145-Y148 PolarHBondContact OG1-O 2.88Å; Y148-Y150 VanDerWaalsContact CB-CE2 3.48Å; Y148-Y150 HydrophobicContact CG-CE2 4.43Å
149	V	89.2	Confident	92.3	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136	160.2	-177.5	0	0	0	0	107.6	I108 K110 L121 V125 V142 E144 L151	I108-V149 PolarHBondContact N-O 3.19Å; I108-V149 PolarHBondContact O-N 3.41Å; K110-V149 HydrophobicContact CD-CG2 4.42Å; K110-V149 HydrophobicContact CG-CG2 4.11Å; L121-V149 HydrophobicContact CD2-CG2 4.29Å; V125-V149 HydrophobicContact CG2-CG1 4.28Å; V142-V149 HydrophobicContact CG1-CG1 4.16Å; E144-V149 HydrophobicContact CG-CG2 4.33Å; V149-L151 HydrophobicContact CG1-CD2 3.97Å
150	Y	92.6	Very high	92.1	Very high	33 Å²	33	41.5 Å²	41.5	13%	0.129	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121	175.3	-55.6	-106.9	0	0	0	108.4	I105 K106 M107 V142 I143 T145 Y148	I105-Y150 HydrophobicContact CG2-CD1 3.97Å; K106-Y150 WeakPolarHBondContact O-CA 3.1Å; M107-Y150 HydrophobicContact CB-CD1 4.41Å; M107-Y150 HydrophobicContact CE-CE1 3.81Å; M107-Y150 HydrophobicContact CG-CD1 3.74Å; M107-Y150 HydrophobicContact CG-CE1 3.85Å; M107-Y150 HydrophobicContact SD-CE1 4.23Å; V142-Y150 WeakPolarHBondContact CA-O 3.45Å; I143-Y150 HydrophobicContact CB-CD2 4.38Å; I143-Y150 PolarHBondContact N-O 2.91Å; I143-Y150 PolarHBondContact O-N 3.21Å; T145-Y150 HydrophobicContact CG2-CE2 3.92Å; Y148-Y150 VanDerWaalsContact CB-CE2 3.48Å; Y148-Y150 HydrophobicContact CG-CE2 4.43Å
151	L	93.2	Very high	92.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.3	170.7	-49.9	-178.9	0	0	0	107.9	I105 K106 I108 V125 L139 V142 V149 M153	I105-L151 CarbonylContact C-O 3.06Å; I105-L151 VanDerWaalsContact CA-O 3.31Å; I105-L151 WeakPolarHBondContact CA-O 3.42Å; K106-L151 HydrophobicContact CB-CB 4.28Å; K106-L151 PolarHBondContact N-O 2.83Å; K106-L151 PolarHBondContact O-N 3.37Å; I108-L151 HydrophobicContact CD1-CD1 4.3Å; V125-L151 HydrophobicContact CG2-CD2 4.13Å; L139-L151 HydrophobicContact CD1-CB 3.94Å; V142-L151 HydrophobicContact CB-CD2 4.32Å; V142-L151 HydrophobicContact CG1-CD2 3.89Å; V142-L151 HydrophobicContact CG2-CD2 3.67Å; V149-L151 HydrophobicContact CG1-CD2 3.97Å; L151-M153 HydrophobicContact CB-CG 4.1Å; L151-M153 HydrophobicContact CB-SD 4.09Å
152	V	95.7	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.4	175.3	-175	0	0	0	0	108.1	Y77 V103 I105 Y140 E141 I143	Y77-V152 HydrophobicContact CD1-CG1 4.36Å; Y77-V152 HydrophobicContact CE1-CG1 3.55Å; Y77-V152 HydrophobicContact CE1-CG2 4.34Å; Y77-V152 HydrophobicContact CE2-CG2 4.25Å; V103-V152 HydrophobicContact CB-CG1 3.99Å; V103-V152 HydrophobicContact CG1-CG1 4.26Å; V103-V152 HydrophobicContact CG2-CG1 3.93Å; I105-V152 HydrophobicContact CD1-CG2 4.29Å; I105-V152 HydrophobicContact CG1-CG1 4.35Å; I105-V152 HydrophobicContact CG1-CG2 4.21Å; Y140-V152 PolarHBondContact N-O 3.35Å; E141-V152 HydrophobicContact CB-CB 3.91Å; E141-V152 HydrophobicContact CB-CG2 3.95Å; E141-V152 PolarHBondContact N-O 3.33Å; E141-V152 PolarHBondContact O-N 3.14Å; I143-V152 HydrophobicContact CD1-CG2 4.37Å
153	M	95.9	Very high	91.6	Very high	25 Å²	25	48.6 Å²	48.6	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	166.7	-165	-53.3	-179	-50.8	0	0	111.5	A104 K106 V137 Q138 L139 L151	A104-M153 PolarHBondContact N-O 3.08Å; A104-M153 PolarHBondContact O-N 3.35Å; K106-M153 HydrophobicContact CB-CE 3.82Å; K106-M153 HydrophobicContact CB-SD 4.48Å; V137-M153 HydrophobicContact CG1-CB 3.77Å; V137-M153 HydrophobicContact CG1-CG 4.5Å; V137-M153 HydrophobicContact CG1-SD 4.34Å; Q138-M153 CarbonylContact O-C 3.58Å; Q138-M153 WeakPolarHBondContact O-CA 3.1Å; L139-M153 HydrophobicContact CD1-CG 3.92Å; L151-M153 HydrophobicContact CB-CG 4.1Å; L151-M153 HydrophobicContact CB-SD 4.09Å
154	E	95.6	Very high	91.6	Very high	37 Å²	37	50.6 Å²	50.6	17%	0.173	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	138.4	168.7	-176.9	173.4	-155.7	0	0	112.4	V137 Q138 Y140 K214	V137-E154 HydrophobicContact CG1-CB 4.24Å; Q138-E154 HydrophobicContact CB-CB 4.17Å; Q138-E154 PolarHBondContact N-OE2 3.2Å; Q138-E154 PolarHBondContact O-N 2.92Å; Y140-E154 HydrophobicContact CE2-CB 4.26Å; E154-K214 WeakPolarHBondContact OE1-CE 3.46Å; E154-K214 IonicContact OE1-NZ 2.74Å; E154-K214 PolarHBondContact OE1-NZ 3.2Å; E154-K214 WeakPolarHBondContact OE2-CD 3.39Å; E154-K214 WeakPolarHBondContact OE2-CE 3.37Å; E154-K214 IonicContact OE2-NZ 2.67Å; E154-K214 PolarHBondContact OE2-NZ 3.08Å
155	Y	96	Very high	91.8	Very high	45 Å²	45	44.9 Å²	44.9	18%	0.176	23%	0.232	C	C	.	.			trans	-97.1	104.5	172.8	175.2	-135.9	0	0	0	110.7	I83 L93 E102 K157	I83-Y155 HydrophobicContact CD1-CD2 4.02Å; I83-Y155 HydrophobicContact CD1-CE2 4.05Å; L93-Y155 HydrophobicContact CD1-CD1 3.44Å; L93-Y155 VanDerWaalsContact CD1-CD1 3.44Å; L93-Y155 HydrophobicContact CD1-CD2 4.11Å; L93-Y155 HydrophobicContact CD1-CE1 3.58Å; L93-Y155 HydrophobicContact CD1-CE2 4.28Å; L93-Y155 HydrophobicContact CD1-CG 3.72Å; L93-Y155 HydrophobicContact CD2-CE1 4.23Å; E102-Y155 HydrophobicContact CB-CD1 3.84Å; Y155-K157 HydrophobicContact CE1-CB 4.24Å; Y155-K157 HydrophobicContact CE1-CG 4.06Å; Y155-K157 PolarHBondContact O-N 3.36Å; Y155-K157 VanDerWaalsContact O-N 3.11Å
156	A	95.6	Very high	91.9	Very high	6 Å²	6	48.5 Å²	48.5	5%	0.05	25%	0.249	C	C	.	.			trans	-71.8	98.9	170.6	0	0	0	0	0	110	N158 L206 L207 K214	A156-N158 PolarHBondContact O-N 3.34Å; A156-L206 HydrophobicContact CB-CB 3.41Å; A156-L206 VanDerWaalsContact CB-CB 3.41Å; A156-L206 HydrophobicContact CB-CD1 3.9Å; A156-L206 HydrophobicContact CB-CG 4.3Å; A156-L207 CarbonylContact C-O 3.58Å; A156-L207 WeakPolarHBondContact CA-O 3.23Å; A156-L207 WeakPolarHBondContact CB-O 3.47Å; A156-K214 HydrophobicContact CB-CB 4.3Å; A156-K214 HydrophobicContact CB-CG 4.43Å
157	K	93.5	Very high	92.3	Very high	72 Å²	72	52.8 Å²	52.8	31%	0.313	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.5	-165.2	-169.4	157.9	-176.2	153.4	0	114.8	E102 Y155 G159 L207 H620	E102-K157 IonicContact OE2-NZ 2.74Å; E102-K157 PolarHBondContact OE2-NZ 3.42Å; Y155-K157 HydrophobicContact CE1-CB 4.24Å; Y155-K157 HydrophobicContact CE1-CG 4.06Å; Y155-K157 PolarHBondContact O-N 3.36Å; Y155-K157 VanDerWaalsContact O-N 3.11Å; K157-G159 VanDerWaalsContact C-N 3.34Å; K157-L207 PolarHBondContact N-O 2.78Å; K157-H620 PolarHBondContact NZ-CE1 3.45Å; K157-H620 VanDerWaalsContact NZ-CE1 3.3Å; K157-H620 PolarHBondContact NZ-NE2 3.18Å
158	N	94.4	Very high	92.6	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.1	-174.1	-66.2	6.9	0	0	0	113.4	A156 L207 D208 Y209 N211	A156-N158 PolarHBondContact O-N 3.34Å; N158-L207 HydrophobicContact CB-CB 3.79Å; N158-L207 PolarHBondContact N-O 2.87Å; N158-D208 WeakPolarHBondContact CB-O 3.37Å; N158-D208 PolarHBondContact ND2-O 2.97Å; N158-D208 VanDerWaalsContact ND2-O 3.1Å; N158-Y209 PolarHBondContact ND2-O 2.63Å; N158-N211 PolarHBondContact ND2-OD1 2.78Å
159	G	91.9	Very high	92.7	Very high	32 Å²	32	54.2 Å²	54.2	33%	0.33	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-159.9	167.2	0	0	0	0	0	115.2	K157 L206 L207	K157-G159 VanDerWaalsContact C-N 3.34Å; G159-L206 CarbonylContact O-C 3.46Å; G159-L206 VanDerWaalsContact O-CA 3.29Å; G159-L206 WeakPolarHBondContact O-CA 3.47Å; G159-L207 PolarHBondContact O-N 2.94Å
160	E	90.8	Very high	92.9	Very high	53 Å²	53	59.5 Å²	59.5	25%	0.248	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	142.7	179.3	-63.9	-179.2	-161.4	0	0	111.3	F162 E163 Y164 L206 Q1020	E160-F162 PolarHBondContact O-N 2.9Å; E160-E163 HydrophobicContact CB-CG 4.38Å; E160-E163 PolarHBondContact O-N 3.11Å; E160-Y164 PolarHBondContact O-N 3.17Å; E160-Y164 VanDerWaalsContact O-N 3.16Å; E160-L206 HydrophobicContact CB-CD2 4.38Å; E160-L206 HydrophobicContact CG-CD2 3.77Å; E160-Q1020 PolarHBondContact OE1-NE2 3.33Å
161	M	94.1	Very high	93	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-29.5	175.2	-171.9	68.1	-109.3	0	0	111.1	Y164 L165 M171 K179 A202 L205 L207 I213 F267	M161-Y164 HydrophobicContact CE-CD1 3.28Å; M161-Y164 HydrophobicContact CE-CE1 4.02Å; M161-Y164 HydrophobicContact CE-CG 3.81Å; M161-Y164 PolarHBondContact O-N 3.28Å; M161-L165 HydrophobicContact CE-CD2 4.31Å; M161-L165 HydrophobicContact CE-CG 3.92Å; M161-L165 WeakPolarHBondContact O-CG 3.41Å; M161-L165 PolarHBondContact O-N 3.29Å; M161-M171 HydrophobicContact CE-CE 3.26Å; M161-M171 HydrophobicContact SD-CE 4.23Å; M161-K179 HydrophobicContact CE-CD 4.48Å; M161-K179 HydrophobicContact SD-CD 4.09Å; M161-A202 WeakPolarHBondContact CB-O 3.32Å; M161-A202 PolarHBondContact N-O 2.83Å; M161-L205 HydrophobicContact CB-CB 3.69Å; M161-L205 VanDerWaalsContact CB-O 3.22Å; M161-L205 WeakPolarHBondContact CB-O 3.19Å; M161-L205 HydrophobicContact CG-CB 4.25Å; M161-L205 HydrophobicContact CG-CD1 4.49Å; M161-L205 PolarHBondContact N-O 2.94Å; M161-L207 HydrophobicContact SD-CD1 4.19Å; M161-L207 HydrophobicContact SD-CD2 3.89Å; M161-L207 HydrophobicContact SD-CG 4.28Å; M161-I213 HydrophobicContact SD-CD1 3.93Å; M161-F267 HydrophobicContact CG-CE1 3.77Å; M161-F267 HydrophobicContact CG-CZ 3.79Å; M161-F267 HydrophobicContact SD-CE1 4.41Å; M161-F267 HydrophobicContact SD-CZ 4.14Å
162	F	88.1	Confident	93.2	Very high	82 Å²	82	61 Å²	61	36%	0.36	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-49.3	171.4	-174.8	-106	0	0	0	112.9	E160 Y164 L165 L166 A202 E203	E160-F162 PolarHBondContact O-N 2.9Å; F162-Y164 VanDerWaalsContact C-N 3.31Å; F162-Y164 PolarHBondContact O-N 3.02Å; F162-L165 PolarHBondContact O-N 2.95Å; F162-L166 HydrophobicContact CD1-CD1 4Å; F162-L166 HydrophobicContact CE1-CD1 3.56Å; F162-L166 HydrophobicContact CE1-CG 4.25Å; F162-L166 HydrophobicContact CZ-CD1 4.05Å; F162-L166 HydrophobicContact CZ-CD2 4.49Å; F162-L166 HydrophobicContact CZ-CG 4.38Å; F162-L166 WeakPolarHBondContact O-CG 3.5Å; F162-L166 PolarHBondContact O-N 3.07Å; F162-A202 HydrophobicContact CB-CB 3.85Å; F162-A202 HydrophobicContact CD2-CB 4.18Å; F162-A202 PolarHBondContact N-O 3.48Å; F162-A202 VanDerWaalsContact N-O 3.08Å; F162-E203 HydrophobicContact CB-CG 4.3Å; F162-E203 HydrophobicContact CG-CG 4.38Å
163	E	89.4	Confident	93.3	Very high	130 Å²	130	62.8 Å²	62.8	61%	0.607	31%	0.305	S	S	*	.	H	α-helix	trans	-61.7	-39.5	175.8	-71.5	-101.3	127.4	0	0	111.5	E160 L166 K167	E160-E163 HydrophobicContact CB-CG 4.38Å; E160-E163 PolarHBondContact O-N 3.11Å; E163-L166 PolarHBondContact O-N 3.12Å; E163-K167 PolarHBondContact O-N 3.02Å
164	Y	93.3	Very high	93.4	Very high	53 Å²	53	65 Å²	65	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-41.8	175.5	179.7	-73.9	0	0	0	111.9	E160 M161 F162 K167 H168 L207	E160-Y164 PolarHBondContact O-N 3.17Å; E160-Y164 VanDerWaalsContact O-N 3.16Å; M161-Y164 HydrophobicContact CE-CD1 3.28Å; M161-Y164 HydrophobicContact CE-CE1 4.02Å; M161-Y164 HydrophobicContact CE-CG 3.81Å; M161-Y164 PolarHBondContact O-N 3.28Å; F162-Y164 VanDerWaalsContact C-N 3.31Å; F162-Y164 PolarHBondContact O-N 3.02Å; Y164-K167 PolarHBondContact O-N 3.16Å; Y164-H168 AromaticContact CD1-ND1 3.51Å; Y164-H168 AromaticContact CD2-CE1 3.44Å; Y164-H168 VanDerWaalsContact CD2-CE1 3.44Å; Y164-H168 WeakPolarHBondContact CD2-CE1 3.25Å; Y164-H168 AromaticContact CD2-ND1 3.54Å; Y164-H168 HydrophobicContact CE1-CB 4.21Å; Y164-H168 AromaticContact CE1-CG 3.99Å; Y164-H168 AromaticContact CE1-ND1 3.54Å; Y164-H168 AromaticContact CE2-CE1 3.4Å; Y164-H168 WeakPolarHBondContact CE2-CE1 3.07Å; Y164-H168 AromaticContact CE2-ND1 3.56Å; Y164-H168 AromaticContact CG-CE1 3.89Å; Y164-H168 AromaticContact CG-ND1 3.51Å; Y164-H168 AromaticContact CZ-CE1 3.81Å; Y164-H168 AromaticContact CZ-ND1 3.56Å; Y164-H168 PolarHBondContact O-N 2.67Å; Y164-H168 PolarHBondContact O-ND1 2.92Å; Y164-L207 HydrophobicContact CD2-CD1 3.53Å; Y164-L207 HydrophobicContact CE2-CD1 4.29Å; Y164-L207 HydrophobicContact CG-CD1 3.76Å
165	L	92.9	Very high	93.4	Very high	12 Å²	12	66.3 Å²	66.3	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-41.8	175.3	-72.8	163.9	0	0	0	111.6	M161 F162 K167 H168 N169 M171 A202 L266 F267	M161-L165 HydrophobicContact CE-CD2 4.31Å; M161-L165 HydrophobicContact CE-CG 3.92Å; M161-L165 WeakPolarHBondContact O-CG 3.41Å; M161-L165 PolarHBondContact O-N 3.29Å; F162-L165 PolarHBondContact O-N 2.95Å; L165-K167 PolarHBondContact O-N 3.39Å; L165-H168 PolarHBondContact O-N 3.42Å; L165-N169 WeakPolarHBondContact O-CA 3.36Å; L165-N169 PolarHBondContact O-N 3.03Å; L165-M171 HydrophobicContact CD2-CE 3.76Å; L165-A202 HydrophobicContact CD1-CB 4.24Å; L165-L266 HydrophobicContact CD1-CD2 3.91Å; L165-L266 HydrophobicContact CD1-CG 3.91Å; L165-F267 HydrophobicContact CD1-CD1 4.02Å; L165-F267 HydrophobicContact CD1-CE1 4.08Å; L165-F267 HydrophobicContact CD2-CD1 4.17Å
166	L	90.4	Very high	93.5	Very high	114 Å²	114	64.2 Å²	64.2	60%	0.597	32%	0.323	S	S	*	.	H	α-helix	trans	-60.9	-32.7	174.4	-70.1	178.5	0	0	0	112.7	F162 E163	F162-L166 HydrophobicContact CD1-CD1 4Å; F162-L166 HydrophobicContact CE1-CD1 3.56Å; F162-L166 HydrophobicContact CE1-CG 4.25Å; F162-L166 HydrophobicContact CZ-CD1 4.05Å; F162-L166 HydrophobicContact CZ-CD2 4.49Å; F162-L166 HydrophobicContact CZ-CG 4.38Å; F162-L166 WeakPolarHBondContact O-CG 3.5Å; F162-L166 PolarHBondContact O-N 3.07Å; E163-L166 PolarHBondContact O-N 3.12Å
167	K	91.6	Very high	93.6	Very high	166 Å²	166	64.8 Å²	64.8	72%	0.722	32%	0.324	S	S	*	.	H	α-helix	trans	-80.2	-37.6	179.4	-177.5	176.5	174.2	-173.9	0	114	E163 Y164 L165	E163-K167 PolarHBondContact O-N 3.02Å; Y164-K167 PolarHBondContact O-N 3.16Å; L165-K167 PolarHBondContact O-N 3.39Å
168	H	91.6	Very high	93.8	Very high	86 Å²	86	64.9 Å²	64.9	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-108.4	-4.6	-172.7	-52.3	92.8	0	0	0	113.6	Y164 L165	Y164-H168 AromaticContact CD1-ND1 3.51Å; Y164-H168 AromaticContact CD2-CE1 3.44Å; Y164-H168 VanDerWaalsContact CD2-CE1 3.44Å; Y164-H168 WeakPolarHBondContact CD2-CE1 3.25Å; Y164-H168 AromaticContact CD2-ND1 3.54Å; Y164-H168 HydrophobicContact CE1-CB 4.21Å; Y164-H168 AromaticContact CE1-CG 3.99Å; Y164-H168 AromaticContact CE1-ND1 3.54Å; Y164-H168 AromaticContact CE2-CE1 3.4Å; Y164-H168 WeakPolarHBondContact CE2-CE1 3.07Å; Y164-H168 AromaticContact CE2-ND1 3.56Å; Y164-H168 AromaticContact CG-CE1 3.89Å; Y164-H168 AromaticContact CG-ND1 3.51Å; Y164-H168 AromaticContact CZ-CE1 3.81Å; Y164-H168 AromaticContact CZ-ND1 3.56Å; Y164-H168 PolarHBondContact O-N 2.67Å; Y164-H168 PolarHBondContact O-ND1 2.92Å; L165-H168 PolarHBondContact O-N 3.42Å
169	N	90.7	Very high	94	Very high	118 Å²	118	61.7 Å²	61.7	63%	0.631	31%	0.305	S	S	*	.			trans	60.1	-128.2	-167.4	-52	-86	0	0	0	111.2	L165	L165-N169 WeakPolarHBondContact O-CA 3.36Å; L165-N169 PolarHBondContact O-N 3.03Å
170	R	92.9	Very high	94.3	Very high	118 Å²	118	60.2 Å²	60.2	45%	0.445	29%	0.289	S	S	.	.	S	Bend	trans	-84.3	154.1	-179.1	74.6	-173.7	-175.3	83.7	-1.2	112.4	I268	R170-I268 WeakPolarHBondContact CB-O 3.48Å; R170-I268 WeakPolarHBondContact CD-O 3.35Å
171	M	95.8	Very high	94.7	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.069	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-90.9	167.3	176.5	-59.5	-169.2	-138.9	0	0	112.6	M161 L165 D175 A176 K179 F267	M161-M171 HydrophobicContact CE-CE 3.26Å; M161-M171 HydrophobicContact SD-CE 4.23Å; L165-M171 HydrophobicContact CD2-CE 3.76Å; M171-D175 HydrophobicContact CB-CB 4.23Å; M171-D175 HydrophobicContact SD-CB 4.36Å; M171-A176 HydrophobicContact CB-CB 4.21Å; M171-K179 HydrophobicContact CE-CD 3.89Å; M171-K179 HydrophobicContact SD-CD 3.68Å; M171-F267 HydrophobicContact CE-CB 3.94Å; M171-F267 HydrophobicContact CE-CD1 3.75Å; M171-F267 HydrophobicContact CE-CD2 3.8Å; M171-F267 HydrophobicContact CE-CE1 4.16Å; M171-F267 HydrophobicContact CE-CE2 4.21Å; M171-F267 HydrophobicContact CE-CG 3.55Å; M171-F267 HydrophobicContact CE-CZ 4.38Å; M171-F267 PolarHBondContact N-O 2.9Å
172	S	96.4	Very high	94.9	Very high	51 Å²	51	59.9 Å²	59.9	36%	0.357	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-69.1	155.5	157.8	82.1	0	0	0	0	109.9	S174 D175 A176	S172-S174 PolarHBondContact O-N 3.21Å; S172-S174 PolarHBondContact OG-N 3.44Å; S172-D175 PolarHBondContact O-N 3.43Å; S172-D175 PolarHBondContact OG-N 3.37Å; S172-D175 PolarHBondContact OG-OD2 3.03Å; S172-A176 VanDerWaalsContact O-CB 3.31Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.16Å
173	E	97.9	Very high	95.4	Very high	37 Å²	37	56 Å²	56	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-27.1	172	-81.9	-171.6	-154.4	0	0	112.6	R177 I268 S298 C301 W327	E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.94Å; E173-R177 IonicContact OE2-NH2 3.25Å; E173-I268 HydrophobicContact CB-CD1 4.33Å; E173-I268 HydrophobicContact CG-CD1 3.67Å; E173-S298 VanDerWaalsContact CD-OG 3.3Å; E173-S298 WeakPolarHBondContact OE1-CB 3.34Å; E173-S298 PolarHBondContact OE1-N 3.24Å; E173-S298 PolarHBondContact OE1-OG 2.75Å; E173-S298 VanDerWaalsContact OE1-OG 3.1Å; E173-S298 PolarHBondContact OE2-OG 2.65Å; E173-C301 WeakPolarHBondContact OE1-CB 3.47Å; E173-W327 HydrophobicContact CB-CZ2 4.09Å; E173-W327 HydrophobicContact CG-CZ2 4.16Å; E173-W327 PolarHBondContact OE2-NE1 3.1Å
174	S	97.5	Very high	95.8	Very high	71 Å²	71	49.8 Å²	49.8	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-70.8	-46.9	177.5	-164	0	0	0	0	112	S172 R177 R178	S172-S174 PolarHBondContact O-N 3.21Å; S172-S174 PolarHBondContact OG-N 3.44Å; S174-R177 PolarHBondContact O-N 3.22Å; S174-R178 PolarHBondContact O-N 3.34Å
175	D	96.6	Very high	96.1	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.353	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-42.4	176.8	-71.2	-69.2	0	0	0	112.1	M171 S172 R178 K179	M171-D175 HydrophobicContact CB-CB 4.23Å; M171-D175 HydrophobicContact SD-CB 4.36Å; S172-D175 PolarHBondContact O-N 3.43Å; S172-D175 PolarHBondContact OG-N 3.37Å; S172-D175 PolarHBondContact OG-OD2 3.03Å; D175-R178 PolarHBondContact O-N 2.93Å; D175-K179 PolarHBondContact O-N 2.93Å; D175-K179 VanDerWaalsContact O-N 3.1Å
176	A	98	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-48	174.4	0	0	0	0	0	110.7	M171 S172 R178 K179 F180 F267 I268 W327	M171-A176 HydrophobicContact CB-CB 4.21Å; S172-A176 VanDerWaalsContact O-CB 3.31Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.16Å; A176-R178 PolarHBondContact O-N 3.46Å; A176-K179 PolarHBondContact O-N 3.44Å; A176-F180 WeakPolarHBondContact O-CB 3.38Å; A176-F180 PolarHBondContact O-N 2.91Å; A176-F267 HydrophobicContact CB-CB 4.07Å; A176-I268 HydrophobicContact CB-CD1 3.32Å; A176-I268 HydrophobicContact CB-CG1 4.37Å; A176-W327 HydrophobicContact CB-CH2 4.48Å
177	R	98.4	Very high	96.6	Very high	18 Å²	18	42 Å²	42	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-46.8	175.8	-178.1	-175.2	-56.3	116.9	16.4	112	E173 S174 K179 F180 R181 W327 I330 Y332	E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.94Å; E173-R177 IonicContact OE2-NH2 3.25Å; S174-R177 PolarHBondContact O-N 3.22Å; R177-K179 VanDerWaalsContact C-N 3.35Å; R177-K179 PolarHBondContact O-N 2.97Å; R177-F180 PolarHBondContact O-N 3.03Å; R177-R181 HydrophobicContact CG-CG 4.41Å; R177-R181 WeakPolarHBondContact O-CB 3.32Å; R177-R181 VanDerWaalsContact O-CG 3.28Å; R177-R181 WeakPolarHBondContact O-CG 3.43Å; R177-R181 PolarHBondContact O-N 3.46Å; R177-W327 HydrophobicContact CB-CH2 3.72Å; R177-W327 HydrophobicContact CB-CZ2 4.08Å; R177-W327 HydrophobicContact CB-CZ3 4.13Å; R177-W327 VanDerWaalsContact CD-O 3.32Å; R177-W327 WeakPolarHBondContact CD-O 3.41Å; R177-W327 HydrophobicContact CG-CH2 4.45Å; R177-W327 HydrophobicContact CG-CZ3 4.4Å; R177-W327 PolarHBondContact NE-O 2.84Å; R177-W327 VanDerWaalsContact NH2-NE1 3.19Å; R177-I330 WeakPolarHBondContact CD-O 3.43Å; R177-I330 PolarHBondContact NH1-O 3.26Å; R177-Y332 HydrophobicContact CG-CE2 4.4Å
178	R	98	Very high	96.9	Very high	74 Å²	74	34.1 Å²	34.1	28%	0.279	17%	0.171	S	C	.	.	H	α-helix	trans	-56.9	-45.9	177.6	-176.2	177.7	64	91	-5.5	112	S174 D175 A176	S174-R178 PolarHBondContact O-N 3.34Å; D175-R178 PolarHBondContact O-N 2.93Å; A176-R178 PolarHBondContact O-N 3.46Å
179	K	98.2	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-71.7	-38.1	176.4	-71.6	173.9	-178.6	-69.8	0	112.3	M161 M171 D175 A176 R177 Q182 I183 L207 N211 I213 F267	M161-K179 HydrophobicContact CE-CD 4.48Å; M161-K179 HydrophobicContact SD-CD 4.09Å; M171-K179 HydrophobicContact CE-CD 3.89Å; M171-K179 HydrophobicContact SD-CD 3.68Å; D175-K179 PolarHBondContact O-N 2.93Å; D175-K179 VanDerWaalsContact O-N 3.1Å; A176-K179 PolarHBondContact O-N 3.44Å; R177-K179 VanDerWaalsContact C-N 3.35Å; R177-K179 PolarHBondContact O-N 2.97Å; K179-Q182 WeakPolarHBondContact O-CB 3.48Å; K179-Q182 PolarHBondContact O-N 2.81Å; K179-I183 WeakPolarHBondContact O-CG1 3.26Å; K179-I183 PolarHBondContact O-N 3.27Å; K179-L207 VanDerWaalsContact NZ-CD2 3.28Å; K179-N211 PolarHBondContact NZ-O 3.23Å; K179-I213 HydrophobicContact CB-CD1 4.18Å; K179-I213 HydrophobicContact CB-CG1 3.91Å; K179-I213 HydrophobicContact CG-CD1 4.35Å; K179-I213 HydrophobicContact CG-CG1 4.19Å; K179-F267 HydrophobicContact CB-CE2 4.18Å
180	F	98.4	Very high	97.4	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-72.9	-35	-176.1	-160.7	-100.1	0	0	0	112.1	A176 R177 Q182 I183 L184 L260 L264 M308 W327 I328	A176-F180 WeakPolarHBondContact O-CB 3.38Å; A176-F180 PolarHBondContact O-N 2.91Å; R177-F180 PolarHBondContact O-N 3.03Å; F180-Q182 VanDerWaalsContact C-N 3.26Å; F180-Q182 PolarHBondContact O-N 2.9Å; F180-I183 HydrophobicContact CD2-CD1 4.21Å; F180-I183 PolarHBondContact O-N 3.42Å; F180-L184 WeakPolarHBondContact O-CB 3.21Å; F180-L184 PolarHBondContact O-N 3.34Å; F180-L260 HydrophobicContact CE2-CB 4.27Å; F180-L260 HydrophobicContact CE2-CD2 4.32Å; F180-L260 WeakPolarHBondContact CE2-O 3.41Å; F180-L260 HydrophobicContact CZ-CB 3.93Å; F180-L264 HydrophobicContact CB-CD1 4.49Å; F180-L264 HydrophobicContact CD1-CD2 4.41Å; F180-L264 HydrophobicContact CD2-CB 4.04Å; F180-L264 HydrophobicContact CD2-CD1 4.23Å; F180-L264 HydrophobicContact CE1-CD2 4.16Å; F180-L264 HydrophobicContact CE2-CB 3.65Å; F180-L264 HydrophobicContact CG-CD1 4.19Å; F180-L264 HydrophobicContact CZ-CB 3.89Å; F180-L264 HydrophobicContact CZ-CD2 4.3Å; F180-M308 HydrophobicContact CE1-CE 4.05Å; F180-M308 HydrophobicContact CE1-SD 4.2Å; F180-M308 HydrophobicContact CZ-CE 3.77Å; F180-M308 HydrophobicContact CZ-SD 3.78Å; F180-W327 HydrophobicContact CD1-CZ3 4.45Å; F180-I328 HydrophobicContact CD1-CD1 3.62Å; F180-I328 HydrophobicContact CE1-CD1 4.14Å
181	R	98.6	Very high	97.4	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.06	11%	0.105	C	C	.	.	H	α-helix	trans	-52.9	-43.7	166	-74.9	171.6	72.2	87.5	-1.7	111.8	R177 S185 I328 N329 Y332 D335 L337	R177-R181 HydrophobicContact CG-CG 4.41Å; R177-R181 WeakPolarHBondContact O-CB 3.32Å; R177-R181 VanDerWaalsContact O-CG 3.28Å; R177-R181 WeakPolarHBondContact O-CG 3.43Å; R177-R181 PolarHBondContact O-N 3.46Å; R181-S185 WeakPolarHBondContact O-CB 3.36Å; R181-S185 PolarHBondContact O-N 3.02Å; R181-I328 WeakPolarHBondContact CD-O 3.3Å; R181-I328 HydrophobicContact CG-CG2 3.95Å; R181-I328 PolarHBondContact NH1-O 2.91Å; R181-N329 PolarHBondContact NH1-OD1 3.27Å; R181-Y332 VanDerWaalsContact CZ-CD1 3.48Å; R181-D335 PolarHBondContact NH2-O 2.82Å; R181-L337 HydrophobicContact CB-CD1 4.14Å; R181-L337 HydrophobicContact CB-CD2 4.16Å; R181-L337 HydrophobicContact CG-CD1 4.47Å; R181-L337 HydrophobicContact CG-CD2 4.16Å
182	Q	98.6	Very high	97.3	Very high	30 Å²	30	24.2 Å²	24.2	14%	0.14	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-41	177.9	-68.8	178	-15.3	0	0	112.7	N135 K179 F180 A186 N212 I213	N135-Q182 HydrophobicContact CB-CB 4.14Å; K179-Q182 WeakPolarHBondContact O-CB 3.48Å; K179-Q182 PolarHBondContact O-N 2.81Å; F180-Q182 VanDerWaalsContact C-N 3.26Å; F180-Q182 PolarHBondContact O-N 2.9Å; Q182-A186 WeakPolarHBondContact O-CB 3.35Å; Q182-A186 PolarHBondContact O-N 2.81Å; Q182-N212 PolarHBondContact NE2-OD1 3.47Å; Q182-I213 HydrophobicContact CB-CB 4.03Å; Q182-I213 HydrophobicContact CB-CG1 4.32Å
183	I	98.4	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-50.3	174.6	-60.9	162.7	0	0	0	110.2	K179 F180 S185 A186 V187 L205 I213 L260 F267	K179-I183 WeakPolarHBondContact O-CG1 3.26Å; K179-I183 PolarHBondContact O-N 3.27Å; F180-I183 HydrophobicContact CD2-CD1 4.21Å; F180-I183 PolarHBondContact O-N 3.42Å; I183-S185 PolarHBondContact O-N 3.05Å; I183-A186 WeakPolarHBondContact O-CB 3.22Å; I183-A186 PolarHBondContact O-N 3.15Å; I183-V187 HydrophobicContact CG2-CG2 4.17Å; I183-V187 WeakPolarHBondContact O-CG2 3.33Å; I183-V187 PolarHBondContact O-N 2.76Å; I183-L205 HydrophobicContact CD1-CD1 3.68Å; I183-L205 HydrophobicContact CD1-CD2 4.47Å; I183-L205 HydrophobicContact CG1-CD1 4.24Å; I183-L205 HydrophobicContact CG1-CD2 4.13Å; I183-I213 HydrophobicContact CD1-CD1 4.26Å; I183-I213 HydrophobicContact CD1-CG1 4.41Å; I183-I213 HydrophobicContact CG1-CB 4.37Å; I183-I213 HydrophobicContact CG1-CD1 4.24Å; I183-I213 HydrophobicContact CG1-CG1 3.97Å; I183-I213 HydrophobicContact CG1-CG2 3.79Å; I183-L260 HydrophobicContact CG2-CD2 3.33Å; I183-F267 HydrophobicContact CD1-CE2 3.6Å; I183-F267 HydrophobicContact CD1-CZ 3.76Å
184	L	98.1	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-175.8	-174.4	57.5	0	0	0	111.2	F180 A186 V187 Q188 L260 L319 L322 M323 I328 L337	F180-L184 WeakPolarHBondContact O-CB 3.21Å; F180-L184 PolarHBondContact O-N 3.34Å; L184-A186 PolarHBondContact O-N 3.46Å; L184-V187 PolarHBondContact O-N 3.19Å; L184-Q188 VanDerWaalsContact O-CB 3.26Å; L184-Q188 WeakPolarHBondContact O-CB 3.46Å; L184-Q188 PolarHBondContact O-N 2.85Å; L184-L260 HydrophobicContact CD1-CD1 4.2Å; L184-L319 HydrophobicContact CD1-CB 4.24Å; L184-L319 HydrophobicContact CD1-CD2 3.71Å; L184-L319 HydrophobicContact CD1-CG 4.45Å; L184-L322 HydrophobicContact CD1-CB 4.45Å; L184-L322 HydrophobicContact CD2-CB 4.3Å; L184-M323 HydrophobicContact CD1-CG 4.48Å; L184-M323 HydrophobicContact CD2-CB 4.48Å; L184-M323 HydrophobicContact CD2-CG 3.76Å; L184-M323 HydrophobicContact CG-CG 3.73Å; L184-I328 HydrophobicContact CD2-CD1 4.08Å; L184-I328 HydrophobicContact CD2-CG1 4.29Å; L184-L337 HydrophobicContact CB-CD2 4.25Å; L184-L337 HydrophobicContact CD2-CD2 3.9Å; L184-L337 HydrophobicContact CG-CD2 4.22Å
185	S	98.4	Very high	96.4	Very high	14 Å²	14	23.9 Å²	23.9	10%	0.098	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-43.5	171.5	-175	0	0	0	0	112.8	H133 R181 I183 Y189	H133-S185 PolarHBondContact NE2-O 2.95Å; H133-S185 PolarHBondContact NE2-OG 2.97Å; R181-S185 WeakPolarHBondContact O-CB 3.36Å; R181-S185 PolarHBondContact O-N 3.02Å; I183-S185 PolarHBondContact O-N 3.05Å; S185-Y189 WeakPolarHBondContact O-CB 3.38Å; S185-Y189 PolarHBondContact O-N 2.74Å
186	A	97.7	Very high	96.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.6	-41.8	-179.3	0	0	0	0	0	112.8	H133 N135 I136 Q182 I183 L184 C190 L215	H133-A186 VanDerWaalsContact CE1-CA 3.49Å; H133-A186 WeakPolarHBondContact CE1-CA 3.44Å; H133-A186 PolarHBondContact CE1-N 2.74Å; N135-A186 HydrophobicContact CB-CB 4.32Å; I136-A186 HydrophobicContact CD1-CB 4.15Å; I136-A186 HydrophobicContact CG1-CB 3.76Å; Q182-A186 WeakPolarHBondContact O-CB 3.35Å; Q182-A186 PolarHBondContact O-N 2.81Å; I183-A186 WeakPolarHBondContact O-CB 3.22Å; I183-A186 PolarHBondContact O-N 3.15Å; L184-A186 PolarHBondContact O-N 3.46Å; A186-C190 PolarHBondContact O-N 3.07Å; A186-C190 PolarHBondContact O-SG 3.42Å; A186-L215 HydrophobicContact CB-CD2 4.43Å
187	V	97.1	Very high	95.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-73.8	-42.2	179.7	-178.6	0	0	0	0	110.7	I183 L184 Y189 C190 H191 L200 L215 D256 L260 L319	I183-V187 HydrophobicContact CG2-CG2 4.17Å; I183-V187 WeakPolarHBondContact O-CG2 3.33Å; I183-V187 PolarHBondContact O-N 2.76Å; L184-V187 PolarHBondContact O-N 3.19Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 3.32Å; V187-C190 WeakPolarHBondContact O-CA 3.34Å; V187-C190 WeakPolarHBondContact O-CB 3.43Å; V187-C190 PolarHBondContact O-N 3.35Å; V187-H191 WeakPolarHBondContact CG1-NE2 3.28Å; V187-H191 PolarHBondContact O-CD2 3.39Å; V187-H191 PolarHBondContact O-N 2.99Å; V187-L200 HydrophobicContact CG1-CD1 4.13Å; V187-L200 HydrophobicContact CG2-CD1 3.9Å; V187-L200 HydrophobicContact CG2-CD2 3.95Å; V187-L215 HydrophobicContact CG2-CD2 4.23Å; V187-D256 HydrophobicContact CG1-CB 4.21Å; V187-L260 HydrophobicContact CB-CD1 4.4Å; V187-L260 HydrophobicContact CG1-CD1 4.31Å; V187-L260 HydrophobicContact CG2-CD2 4.3Å; V187-L319 HydrophobicContact CB-CD1 4.33Å; V187-L319 HydrophobicContact CG1-CD1 3.87Å
188	Q	97.2	Very high	95	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175.2	-170.7	-83.1	-18.7	0	0	111.9	L184 C190 H191 R192 L319 E320 M323	L184-Q188 VanDerWaalsContact O-CB 3.26Å; L184-Q188 WeakPolarHBondContact O-CB 3.46Å; L184-Q188 PolarHBondContact O-N 2.85Å; Q188-C190 VanDerWaalsContact C-N 3.29Å; Q188-C190 PolarHBondContact O-N 3.21Å; Q188-H191 PolarHBondContact O-N 3.22Å; Q188-R192 WeakPolarHBondContact O-CB 3.39Å; Q188-R192 PolarHBondContact O-N 3.43Å; Q188-L319 HydrophobicContact CB-CB 4.03Å; Q188-L319 HydrophobicContact CB-CD1 3.89Å; Q188-L319 HydrophobicContact CG-CB 3.98Å; Q188-L319 HydrophobicContact CG-CD1 4.47Å; Q188-E320 WeakPolarHBondContact CG-OE1 3.44Å; Q188-E320 PolarHBondContact NE2-OE1 2.86Å; Q188-M323 HydrophobicContact CB-SD 3.9Å; Q188-M323 HydrophobicContact CG-SD 3.68Å
189	Y	97.1	Very high	94.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-38.2	172.7	168	-94.8	0	0	0	112.9	I131 N132 H133 I136 S185 V187 K193 Y340 E342	I131-Y189 HydrophobicContact CG1-CE1 4.46Å; I131-Y189 HydrophobicContact CG2-CE1 4.18Å; N132-Y189 PolarHBondContact N-OH 3.03Å; N132-Y189 PolarHBondContact O-OH 3.33Å; H133-Y189 HydrophobicContact CB-CD1 3.77Å; H133-Y189 HydrophobicContact CB-CE1 3.84Å; H133-Y189 HydrophobicContact CB-CG 4.24Å; H133-Y189 AromaticContact CD2-CG 3.78Å; I136-Y189 HydrophobicContact CD1-CD1 3.97Å; I136-Y189 HydrophobicContact CD1-CE1 4.33Å; S185-Y189 WeakPolarHBondContact O-CB 3.38Å; S185-Y189 PolarHBondContact O-N 2.74Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 3.32Å; Y189-K193 HydrophobicContact CE1-CD 4.27Å; Y189-K193 HydrophobicContact CE2-CD 4.34Å; Y189-K193 PolarHBondContact O-N 2.96Å; Y189-K193 WeakPolarHBondContact OH-CE 3.37Å; Y189-K193 PolarHBondContact OH-NZ 2.86Å; Y189-Y340 AromaticContact CD2-CD1 3.61Å; Y189-Y340 HydrophobicContact CD2-CD1 3.61Å; Y189-Y340 HydrophobicContact CD2-CE1 4.23Å; Y189-Y340 AromaticContact CE2-CD1 3.94Å; Y189-Y340 HydrophobicContact CE2-CD1 3.94Å; Y189-Y340 HydrophobicContact CE2-CE1 4.1Å; Y189-Y340 HydrophobicContact CG-CD1 4.28Å; Y189-E342 HydrophobicContact CE2-CB 4.22Å; Y189-E342 PolarHBondContact OH-OE2 2.59Å
190	C	95.4	Very high	94	Very high	3 Å²	3	18 Å²	18	2%	0.02	8%	0.082	C	C	.	.	H	α-helix	trans	-66.6	-47.8	173.5	-63.6	0	0	0	0	111.3	I136 A186 V187 Q188 R192 K193 N194 I195	I136-C190 VanDerWaalsContact CD1-SG 3.59Å; A186-C190 PolarHBondContact O-N 3.07Å; A186-C190 PolarHBondContact O-SG 3.42Å; V187-C190 WeakPolarHBondContact O-CA 3.34Å; V187-C190 WeakPolarHBondContact O-CB 3.43Å; V187-C190 PolarHBondContact O-N 3.35Å; Q188-C190 VanDerWaalsContact C-N 3.29Å; Q188-C190 PolarHBondContact O-N 3.21Å; C190-R192 VanDerWaalsContact C-N 3.35Å; C190-R192 PolarHBondContact O-N 2.95Å; C190-K193 CarbonylContact O-C 3.52Å; C190-K193 WeakPolarHBondContact O-CA 3.31Å; C190-K193 WeakPolarHBondContact O-CB 3.28Å; C190-K193 PolarHBondContact O-N 2.93Å; C190-N194 PolarHBondContact O-N 3.46Å; C190-I195 CarbonylContact C-O 3.4Å; C190-I195 HydrophobicContact CB-CB 4.32Å; C190-I195 HydrophobicContact CB-CG2 4.44Å; C190-I195 WeakPolarHBondContact CB-O 3.36Å; C190-I195 WeakPolarHBondContact O-CB 3.42Å; C190-I195 PolarHBondContact O-N 3.5Å; C190-I195 VanDerWaalsContact O-O 3.07Å
191	H	94.4	Very high	93.6	Very high	14 Å²	14	19 Å²	19	7%	0.065	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-43.4	-178.9	-72.2	-165.6	0	0	0	111.5	V187 Q188 K193 N194 I195 P253 D256 L319	V187-H191 WeakPolarHBondContact CG1-NE2 3.28Å; V187-H191 PolarHBondContact O-CD2 3.39Å; V187-H191 PolarHBondContact O-N 2.99Å; Q188-H191 PolarHBondContact O-N 3.22Å; H191-K193 PolarHBondContact O-N 2.89Å; H191-N194 VanDerWaalsContact O-CA 3.32Å; H191-N194 WeakPolarHBondContact O-CA 3.31Å; H191-N194 PolarHBondContact O-N 3.16Å; H191-I195 PolarHBondContact CD2-O 3.26Å; H191-I195 PolarHBondContact N-O 3.48Å; H191-P253 WeakPolarHBondContact CE1-CA 3.16Å; H191-P253 PolarHBondContact CE1-O 3.1Å; H191-P253 WeakPolarHBondContact ND1-CB 3.33Å; H191-D256 IonicContact CD2-OD2 3.56Å; H191-D256 IonicContact CE1-OD2 3.62Å; H191-D256 IonicContact NE2-OD2 2.81Å; H191-D256 PolarHBondContact NE2-OD2 3.44Å; H191-L319 HydrophobicContact CB-CD1 4.46Å; H191-L319 WeakPolarHBondContact ND1-CD1 3.43Å
192	R	93.5	Very high	93.2	Very high	111 Å²	111	18.2 Å²	18.2	42%	0.419	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.4	174.3	-157.7	-171.7	66.4	-153.7	-12.3	113.8	Q188 C190 N194 Y340	Q188-R192 WeakPolarHBondContact O-CB 3.39Å; Q188-R192 PolarHBondContact O-N 3.43Å; C190-R192 VanDerWaalsContact C-N 3.35Å; C190-R192 PolarHBondContact O-N 2.95Å; R192-N194 VanDerWaalsContact C-N 3.34Å; R192-Y340 VanDerWaalsContact CZ-O 3.27Å; R192-Y340 PolarHBondContact NH1-O 3.46Å; R192-Y340 PolarHBondContact NH2-O 3.39Å
193	K	92.4	Very high	92.6	Very high	63 Å²	63	19 Å²	19	27%	0.274	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.4	167.2	-79.3	-168.3	167.2	-176.5	0	113.4	S130 Y189 C190 H191 I195 E342	S130-K193 PolarHBondContact O-NZ 3.12Å; Y189-K193 HydrophobicContact CE1-CD 4.27Å; Y189-K193 HydrophobicContact CE2-CD 4.34Å; Y189-K193 PolarHBondContact O-N 2.96Å; Y189-K193 WeakPolarHBondContact OH-CE 3.37Å; Y189-K193 PolarHBondContact OH-NZ 2.86Å; C190-K193 CarbonylContact O-C 3.52Å; C190-K193 WeakPolarHBondContact O-CA 3.31Å; C190-K193 WeakPolarHBondContact O-CB 3.28Å; C190-K193 PolarHBondContact O-N 2.93Å; H191-K193 PolarHBondContact O-N 2.89Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 HydrophobicContact CB-CD1 3.96Å; K193-I195 HydrophobicContact CB-CG1 4.42Å; K193-I195 PolarHBondContact O-N 3.34Å; K193-E342 WeakPolarHBondContact CE-OE2 3.39Å; K193-E342 IonicContact NZ-OE2 3.36Å; K193-E342 PolarHBondContact NZ-OE2 2.82Å
194	N	90.2	Very high	92.2	Very high	88 Å²	88	19.9 Å²	19.9	47%	0.471	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	43.3	-172.5	-60	-50.3	0	0	0	112.1	C190 H191 R192 H223 F224	C190-N194 PolarHBondContact O-N 3.46Å; H191-N194 VanDerWaalsContact O-CA 3.32Å; H191-N194 WeakPolarHBondContact O-CA 3.31Å; H191-N194 PolarHBondContact O-N 3.16Å; R192-N194 VanDerWaalsContact C-N 3.34Å; N194-H223 WeakPolarHBondContact O-CA 3.29Å; N194-H223 PolarHBondContact O-ND1 2.73Å; N194-F224 VanDerWaalsContact CA-CE1 3.46Å; N194-F224 HydrophobicContact CB-CD1 4.47Å; N194-F224 HydrophobicContact CB-CE1 4.33Å; N194-F224 PolarHBondContact O-N 3.18Å
195	I	90.5	Very high	92.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.6	178.6	-61.9	161.2	0	0	0	109	V127 I131 C190 H191 K193 A221 N222 H223	V127-I195 HydrophobicContact CG1-CD1 4.31Å; V127-I195 HydrophobicContact CG1-CG2 3.87Å; V127-I195 HydrophobicContact CG2-CG2 4.47Å; I131-I195 HydrophobicContact CD1-CD1 4.01Å; I131-I195 HydrophobicContact CD1-CG2 4.43Å; I131-I195 HydrophobicContact CG1-CD1 4.03Å; C190-I195 CarbonylContact C-O 3.4Å; C190-I195 HydrophobicContact CB-CB 4.32Å; C190-I195 HydrophobicContact CB-CG2 4.44Å; C190-I195 WeakPolarHBondContact CB-O 3.36Å; C190-I195 WeakPolarHBondContact O-CB 3.42Å; C190-I195 PolarHBondContact O-N 3.5Å; C190-I195 VanDerWaalsContact O-O 3.07Å; H191-I195 PolarHBondContact CD2-O 3.26Å; H191-I195 PolarHBondContact N-O 3.48Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 HydrophobicContact CB-CD1 3.96Å; K193-I195 HydrophobicContact CB-CG1 4.42Å; K193-I195 PolarHBondContact O-N 3.34Å; I195-A221 HydrophobicContact CG2-CB 4.29Å; I195-N222 WeakPolarHBondContact CA-O 3.49Å; I195-H223 VanDerWaalsContact CG1-CE1 3.49Å; I195-H223 WeakPolarHBondContact CG1-CE1 3.41Å; I195-H223 WeakPolarHBondContact CG1-ND1 3.36Å
196	V	88.9	Confident	92	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.4	176.1	169	0	0	0	0	108.7	R198 A221 N222 F224 G252 P253 V255 D256	V196-R198 HydrophobicContact CB-CG 4.43Å; V196-R198 HydrophobicContact CG1-CG 3.53Å; V196-A221 CarbonylContact O-C 3.48Å; V196-A221 WeakPolarHBondContact O-CA 3.45Å; V196-A221 WeakPolarHBondContact O-CB 3.48Å; V196-N222 PolarHBondContact N-O 3.38Å; V196-N222 PolarHBondContact O-N 3.29Å; V196-F224 HydrophobicContact CB-CD1 4.33Å; V196-F224 HydrophobicContact CG2-CD1 3.32Å; V196-F224 HydrophobicContact CG2-CE1 3.6Å; V196-F224 HydrophobicContact CG2-CG 4.07Å; V196-G252 WeakPolarHBondContact CG1-O 3.16Å; V196-G252 VanDerWaalsContact CG2-C 3.45Å; V196-P253 HydrophobicContact CG2-CG 4.15Å; V196-V255 HydrophobicContact CG1-CG2 4.5Å; V196-D256 WeakPolarHBondContact CG1-OD2 3.46Å
197	H	88.5	Confident	91.9	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.014	10%	0.097	C	C	.	.			trans	-80.8	-47.6	-169.3	-164.5	-97.1	0	0	0	112.9	D199 L200 A216 F218 F220 A221 D256	H197-D199 PolarHBondContact CE1-O 3.5Å; H197-D199 VanDerWaalsContact ND1-C 3.32Å; H197-D199 PolarHBondContact ND1-O 3.36Å; H197-D199 PolarHBondContact O-N 2.96Å; H197-D199 VanDerWaalsContact O-N 3.12Å; H197-L200 HydrophobicContact CB-CD2 4Å; H197-L200 HydrophobicContact CB-CG 3.95Å; H197-L200 PolarHBondContact ND1-N 3.35Å; H197-A216 PolarHBondContact NE2-O 2.9Å; H197-F218 AromaticContact CD2-CD1 3.72Å; H197-F218 AromaticContact CD2-CE1 3.66Å; H197-F220 CarbonylContact O-C 3.49Å; H197-A221 WeakPolarHBondContact O-CA 3.25Å; H197-A221 PolarHBondContact O-N 3.45Å; H197-D256 PolarHBondContact N-OD2 2.98Å
198	R	84.5	Confident	91.8	Very high	22 Å²	22	21.7 Å²	21.7	8%	0.083	10%	0.1	C	C	.	.	S	Bend	trans	62.3	7.2	176.9	-47.9	-171.1	-62.1	169	1.3	116.8	V196 F220 G235 Y250 D256	V196-R198 HydrophobicContact CB-CG 4.43Å; V196-R198 HydrophobicContact CG1-CG 3.53Å; R198-F220 PolarHBondContact NE-O 2.63Å; R198-F220 PolarHBondContact NH2-O 3Å; R198-G235 WeakPolarHBondContact O-CA 3.1Å; R198-Y250 WeakPolarHBondContact CD-OH 3.31Å; R198-Y250 PolarHBondContact NH1-OH 3.36Å; R198-D256 PolarHBondContact N-OD1 3.09Å
199	D	84.6	Confident	91.6	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	13%	0.13	C	C	.	.			trans	-145.4	44.9	172.7	-164.9	35.6	0	0	0	109.9	H197 K201 N204 F220 G235 S236	H197-D199 PolarHBondContact CE1-O 3.5Å; H197-D199 VanDerWaalsContact ND1-C 3.32Å; H197-D199 PolarHBondContact ND1-O 3.36Å; H197-D199 PolarHBondContact O-N 2.96Å; H197-D199 VanDerWaalsContact O-N 3.12Å; D199-K201 PolarHBondContact O-N 3.35Å; D199-K201 IonicContact OD1-NZ 3.45Å; D199-K201 PolarHBondContact OD1-NZ 3.24Å; D199-K201 WeakPolarHBondContact OD2-CE 3.44Å; D199-K201 IonicContact OD2-NZ 3.08Å; D199-K201 PolarHBondContact OD2-NZ 2.85Å; D199-N204 VanDerWaalsContact CG-ND2 3.34Å; D199-N204 PolarHBondContact O-ND2 3.31Å; D199-N204 PolarHBondContact OD2-ND2 3.32Å; D199-F220 HydrophobicContact CB-CB 4.05Å; D199-F220 HydrophobicContact CB-CD2 3.58Å; D199-F220 HydrophobicContact CB-CE2 4.29Å; D199-F220 HydrophobicContact CB-CG 4.08Å; D199-F220 VanDerWaalsContact OD2-CD2 3.28Å; D199-F220 WeakPolarHBondContact OD2-CD2 3.35Å; D199-F220 VanDerWaalsContact OD2-CE2 3.24Å; D199-F220 WeakPolarHBondContact OD2-CE2 3.24Å; D199-G235 WeakPolarHBondContact OD1-CA 3.5Å; D199-S236 PolarHBondContact OD1-N 3.45Å
200	L	91.5	Very high	91.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	15%	0.154	C	C	.	.			trans	-72.2	119.7	173.4	-70.7	174.9	0	0	0	109.7	V187 H197 L215 D256 A259 L260 L263	V187-L200 HydrophobicContact CG1-CD1 4.13Å; V187-L200 HydrophobicContact CG2-CD1 3.9Å; V187-L200 HydrophobicContact CG2-CD2 3.95Å; H197-L200 HydrophobicContact CB-CD2 4Å; H197-L200 HydrophobicContact CB-CG 3.95Å; H197-L200 PolarHBondContact ND1-N 3.35Å; L200-L215 HydrophobicContact CD2-CD1 3.67Å; L200-L215 HydrophobicContact CD2-CD2 4.36Å; L200-D256 HydrophobicContact CD1-CB 3.67Å; L200-A259 HydrophobicContact CB-CB 3.79Å; L200-L260 HydrophobicContact CD1-CD2 4.08Å; L200-L260 HydrophobicContact CD1-CG 4.08Å; L200-L263 HydrophobicContact CB-CD1 4.18Å
201	K	89.7	Confident	91.4	Very high	21 Å²	21	36.7 Å²	36.7	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-164.7	164.1	-177.9	63.8	-168.3	-176.4	-150.1	0	111.1	D199 E203 N204 L205 S236 Y239	D199-K201 PolarHBondContact O-N 3.35Å; D199-K201 IonicContact OD1-NZ 3.45Å; D199-K201 PolarHBondContact OD1-NZ 3.24Å; D199-K201 WeakPolarHBondContact OD2-CE 3.44Å; D199-K201 IonicContact OD2-NZ 3.08Å; D199-K201 PolarHBondContact OD2-NZ 2.85Å; K201-E203 WeakPolarHBondContact CB-OE2 3.38Å; K201-E203 WeakPolarHBondContact CD-OE1 3.42Å; K201-E203 HydrophobicContact CG-CB 4.27Å; K201-E203 WeakPolarHBondContact CG-OE2 3.24Å; K201-E203 PolarHBondContact O-N 2.91Å; K201-N204 WeakPolarHBondContact CE-ND2 3.38Å; K201-N204 HydrophobicContact CG-CB 4.08Å; K201-N204 PolarHBondContact O-N 3.01Å; K201-L205 PolarHBondContact O-N 2.97Å; K201-S236 VanDerWaalsContact CD-OG 3.25Å; K201-S236 WeakPolarHBondContact CD-OG 3.18Å; K201-S236 PolarHBondContact NZ-OG 3.41Å; K201-Y239 HydrophobicContact CB-CD1 4.15Å; K201-Y239 HydrophobicContact CB-CD2 3.76Å; K201-Y239 HydrophobicContact CB-CE1 3.92Å; K201-Y239 HydrophobicContact CB-CE2 3.48Å; K201-Y239 VanDerWaalsContact CB-CE2 3.48Å; K201-Y239 HydrophobicContact CB-CG 4.06Å
202	A	89.9	Confident	91.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24	-175.3	0	0	0	0	0	113.9	M161 F162 L165 Y239 L263 L266	M161-A202 WeakPolarHBondContact CB-O 3.32Å; M161-A202 PolarHBondContact N-O 2.83Å; F162-A202 HydrophobicContact CB-CB 3.85Å; F162-A202 HydrophobicContact CD2-CB 4.18Å; F162-A202 PolarHBondContact N-O 3.48Å; F162-A202 VanDerWaalsContact N-O 3.08Å; L165-A202 HydrophobicContact CD1-CB 4.24Å; A202-Y239 PolarHBondContact N-OH 2.86Å; A202-L263 HydrophobicContact CB-CD2 4.38Å; A202-L266 HydrophobicContact CB-CD2 4.07Å
203	E	86.3	Confident	91.7	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.4	174.5	-48.3	95.5	100.2	0	0	112.8	F162 K201 Y239	F162-E203 HydrophobicContact CB-CG 4.3Å; F162-E203 HydrophobicContact CG-CG 4.38Å; K201-E203 WeakPolarHBondContact CB-OE2 3.38Å; K201-E203 WeakPolarHBondContact CD-OE1 3.42Å; K201-E203 HydrophobicContact CG-CB 4.27Å; K201-E203 WeakPolarHBondContact CG-OE2 3.24Å; K201-E203 PolarHBondContact O-N 2.91Å; E203-Y239 PolarHBondContact OE2-OH 3.35Å
204	N	90.8	Very high	92	Very high	19 Å²	19	30 Å²	30	10%	0.102	14%	0.141	C	C	.	.	S	Bend	trans	-93.2	1.2	179.9	-71.2	-5.7	0	0	0	112.8	D199 K201 A216	D199-N204 VanDerWaalsContact CG-ND2 3.34Å; D199-N204 PolarHBondContact O-ND2 3.31Å; D199-N204 PolarHBondContact OD2-ND2 3.32Å; K201-N204 WeakPolarHBondContact CE-ND2 3.38Å; K201-N204 HydrophobicContact CG-CB 4.08Å; K201-N204 PolarHBondContact O-N 3.01Å; N204-A216 PolarHBondContact O-N 3.46Å
205	L	95	Very high	92.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120	169.7	-65.3	175.7	0	0	0	108.4	M161 I183 K201 I213 L215 L263 F267	M161-L205 HydrophobicContact CB-CB 3.69Å; M161-L205 VanDerWaalsContact CB-O 3.22Å; M161-L205 WeakPolarHBondContact CB-O 3.19Å; M161-L205 HydrophobicContact CG-CB 4.25Å; M161-L205 HydrophobicContact CG-CD1 4.49Å; M161-L205 PolarHBondContact N-O 2.94Å; I183-L205 HydrophobicContact CD1-CD1 3.68Å; I183-L205 HydrophobicContact CD1-CD2 4.47Å; I183-L205 HydrophobicContact CG1-CD1 4.24Å; I183-L205 HydrophobicContact CG1-CD2 4.13Å; K201-L205 PolarHBondContact O-N 2.97Å; L205-I213 HydrophobicContact CD2-CG2 4.02Å; L205-L215 HydrophobicContact CD2-CB 4.37Å; L205-L215 HydrophobicContact CD2-CD1 3.82Å; L205-L263 HydrophobicContact CD1-CD1 4.07Å; L205-L263 HydrophobicContact CD1-CD2 3.86Å; L205-F267 HydrophobicContact CD1-CZ 4.08Å
206	L	95.9	Very high	92.3	Very high	40 Å²	40	26.5 Å²	26.5	21%	0.209	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	166	177	-50.5	-179.5	0	0	0	111.3	V137 A156 G159 E160 I213 K214 A216	V137-L206 HydrophobicContact CG2-CD1 4.22Å; A156-L206 HydrophobicContact CB-CB 3.41Å; A156-L206 VanDerWaalsContact CB-CB 3.41Å; A156-L206 HydrophobicContact CB-CD1 3.9Å; A156-L206 HydrophobicContact CB-CG 4.3Å; G159-L206 CarbonylContact O-C 3.46Å; G159-L206 VanDerWaalsContact O-CA 3.29Å; G159-L206 WeakPolarHBondContact O-CA 3.47Å; E160-L206 HydrophobicContact CB-CD2 4.38Å; E160-L206 HydrophobicContact CG-CD2 3.77Å; L206-I213 CarbonylContact O-C 3.5Å; L206-K214 HydrophobicContact CB-CB 4.24Å; L206-K214 WeakPolarHBondContact CB-O 3.47Å; L206-K214 PolarHBondContact N-O 2.92Å; L206-K214 PolarHBondContact O-N 3.02Å; L206-A216 HydrophobicContact CD1-CB 3.82Å; L206-A216 HydrophobicContact CG-CB 3.96Å
207	L	96.7	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.9	177.5	-64.3	179.4	0	0	0	112.1	A156 K157 N158 G159 M161 Y164 K179 N212 I213	A156-L207 CarbonylContact C-O 3.58Å; A156-L207 WeakPolarHBondContact CA-O 3.23Å; A156-L207 WeakPolarHBondContact CB-O 3.47Å; K157-L207 PolarHBondContact N-O 2.78Å; N158-L207 HydrophobicContact CB-CB 3.79Å; N158-L207 PolarHBondContact N-O 2.87Å; G159-L207 PolarHBondContact O-N 2.94Å; M161-L207 HydrophobicContact SD-CD1 4.19Å; M161-L207 HydrophobicContact SD-CD2 3.89Å; M161-L207 HydrophobicContact SD-CG 4.28Å; Y164-L207 HydrophobicContact CD2-CD1 3.53Å; Y164-L207 HydrophobicContact CE2-CD1 4.29Å; Y164-L207 HydrophobicContact CG-CD1 3.76Å; K179-L207 VanDerWaalsContact NZ-CD2 3.28Å; L207-N212 WeakPolarHBondContact CA-O 3.38Å; L207-I213 HydrophobicContact CD2-CD1 4Å
208	D	95	Very high	91.1	Very high	13 Å²	13	30 Å²	30	7%	0.07	14%	0.142	C	C	.	.			trans	-73.7	179.5	168.9	74.9	9.7	0	0	0	111.9	N158 Q210 N211 N212 K214	N158-D208 WeakPolarHBondContact CB-O 3.37Å; N158-D208 PolarHBondContact ND2-O 2.97Å; N158-D208 VanDerWaalsContact ND2-O 3.1Å; D208-Q210 PolarHBondContact O-N 3.46Å; D208-Q210 WeakPolarHBondContact OD1-CA 3.49Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.15Å; D208-Q210 PolarHBondContact OD1-N 3.41Å; D208-N211 PolarHBondContact O-N 2.64Å; D208-N211 PolarHBondContact OD1-N 2.69Å; D208-N212 PolarHBondContact N-O 2.89Å; D208-N212 VanDerWaalsContact N-O 3.1Å; D208-N212 PolarHBondContact OD1-N 2.95Å; D208-N212 PolarHBondContact OD1-ND2 3.27Å; D208-N212 WeakPolarHBondContact OD2-CB 3.18Å; D208-N212 PolarHBondContact OD2-ND2 2.79Å; D208-K214 HydrophobicContact CB-CG 4.14Å
209	Y	92.6	Very high	89.9	Confident	161 Å²	161	29.9 Å²	29.9	63%	0.631	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.7	-178.7	70.1	-79.1	0	0	0	114.1	N158	N158-Y209 PolarHBondContact ND2-O 2.63Å
210	Q	93.9	Very high	88.7	Confident	110 Å²	110	31.2 Å²	31.2	51%	0.514	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.2	175.8	-70.4	171	-21.3	0	0	112.5	D208 N212	D208-Q210 PolarHBondContact O-N 3.46Å; D208-Q210 WeakPolarHBondContact OD1-CA 3.49Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.15Å; D208-Q210 PolarHBondContact OD1-N 3.41Å; Q210-N212 VanDerWaalsContact C-N 3.25Å; Q210-N212 WeakPolarHBondContact CB-ND2 3.41Å; Q210-N212 PolarHBondContact O-N 3.35Å; Q210-N212 PolarHBondContact OE1-ND2 2.8Å
211	N	94.3	Very high	86.9	Confident	49 Å²	49	31.2 Å²	31.2	26%	0.262	15%	0.154	S	C	.	.			trans	61	27.4	-173.1	-55.7	-68.9	0	0	0	114.4	N158 K179 D208	N158-N211 PolarHBondContact ND2-OD1 2.78Å; K179-N211 PolarHBondContact NZ-O 3.23Å; D208-N211 PolarHBondContact O-N 2.64Å; D208-N211 PolarHBondContact OD1-N 2.69Å
212	N	97.4	Very high	85.4	Confident	29 Å²	29	31.1 Å²	31.1	16%	0.155	16%	0.155	C	C	.	.			trans	-75	153.5	162.9	-52.4	-59.7	0	0	0	110.2	Q182 L207 D208 Q210	Q182-N212 PolarHBondContact NE2-OD1 3.47Å; L207-N212 WeakPolarHBondContact CA-O 3.38Å; D208-N212 PolarHBondContact N-O 2.89Å; D208-N212 VanDerWaalsContact N-O 3.1Å; D208-N212 PolarHBondContact OD1-N 2.95Å; D208-N212 PolarHBondContact OD1-ND2 3.27Å; D208-N212 WeakPolarHBondContact OD2-CB 3.18Å; D208-N212 PolarHBondContact OD2-ND2 2.79Å; Q210-N212 VanDerWaalsContact C-N 3.25Å; Q210-N212 WeakPolarHBondContact CB-ND2 3.41Å; Q210-N212 PolarHBondContact O-N 3.35Å; Q210-N212 PolarHBondContact OE1-ND2 2.8Å
213	I	98.1	Very high	83.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	139.1	175	-65.6	-69.9	0	0	0	110.9	N135 M161 K179 Q182 I183 L205 L206 L207	N135-I213 WeakPolarHBondContact CA-O 3.43Å; N135-I213 VanDerWaalsContact CB-O 3.27Å; N135-I213 WeakPolarHBondContact CB-O 3.28Å; N135-I213 PolarHBondContact ND2-O 3.31Å; M161-I213 HydrophobicContact SD-CD1 3.93Å; K179-I213 HydrophobicContact CB-CD1 4.18Å; K179-I213 HydrophobicContact CB-CG1 3.91Å; K179-I213 HydrophobicContact CG-CD1 4.35Å; K179-I213 HydrophobicContact CG-CG1 4.19Å; Q182-I213 HydrophobicContact CB-CB 4.03Å; Q182-I213 HydrophobicContact CB-CG1 4.32Å; I183-I213 HydrophobicContact CD1-CD1 4.26Å; I183-I213 HydrophobicContact CD1-CG1 4.41Å; I183-I213 HydrophobicContact CG1-CB 4.37Å; I183-I213 HydrophobicContact CG1-CD1 4.24Å; I183-I213 HydrophobicContact CG1-CG1 3.97Å; I183-I213 HydrophobicContact CG1-CG2 3.79Å; L205-I213 HydrophobicContact CD2-CG2 4.02Å; L206-I213 CarbonylContact O-C 3.5Å; L207-I213 HydrophobicContact CD2-CD1 4Å
214	K	97.5	Very high	82.4	Confident	18 Å²	18	33.3 Å²	33.3	8%	0.078	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	96.7	168.1	-65.2	-66.5	-173.2	161.6	0	108.9	P134 N135 V137 E154 A156 L206 D208	P134-K214 WeakPolarHBondContact O-CE 3.4Å; P134-K214 PolarHBondContact O-NZ 3.13Å; N135-K214 WeakPolarHBondContact O-CA 3.45Å; V137-K214 HydrophobicContact CG2-CB 3.94Å; E154-K214 WeakPolarHBondContact OE1-CE 3.46Å; E154-K214 IonicContact OE1-NZ 2.74Å; E154-K214 PolarHBondContact OE1-NZ 3.2Å; E154-K214 WeakPolarHBondContact OE2-CD 3.39Å; E154-K214 WeakPolarHBondContact OE2-CE 3.37Å; E154-K214 IonicContact OE2-NZ 2.67Å; E154-K214 PolarHBondContact OE2-NZ 3.08Å; A156-K214 HydrophobicContact CB-CB 4.3Å; A156-K214 HydrophobicContact CB-CG 4.43Å; L206-K214 HydrophobicContact CB-CB 4.24Å; L206-K214 WeakPolarHBondContact CB-O 3.47Å; L206-K214 PolarHBondContact N-O 2.92Å; L206-K214 PolarHBondContact O-N 3.02Å; D208-K214 HydrophobicContact CB-CG 4.14Å
215	L	96.2	Very high	80.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.7	175.1	175.8	63.7	0	0	0	110.6	N135 I136 V137 A186 V187 L200 L205 F218	N135-L215 PolarHBondContact O-N 3.08Å; I136-L215 HydrophobicContact CG1-CB 4.28Å; I136-L215 HydrophobicContact CG1-CD2 4.49Å; V137-L215 WeakPolarHBondContact CG2-O 3.47Å; V137-L215 PolarHBondContact N-O 2.9Å; A186-L215 HydrophobicContact CB-CD2 4.43Å; V187-L215 HydrophobicContact CG2-CD2 4.23Å; L200-L215 HydrophobicContact CD2-CD1 3.67Å; L200-L215 HydrophobicContact CD2-CD2 4.36Å; L205-L215 HydrophobicContact CD2-CB 4.37Å; L205-L215 HydrophobicContact CD2-CD1 3.82Å; L215-F218 HydrophobicContact CD2-CZ 4.13Å; L215-F218 HydrophobicContact CG-CZ 4.31Å
216	A	90.8	Very high	78	Confident	14 Å²	14	40.4 Å²	40.4	12%	0.116	21%	0.213	C	C	.	.			trans	-139.7	166.5	-171.5	0	0	0	0	0	113.3	V137 H197 N204 L206	V137-A216 HydrophobicContact CG2-CB 3.87Å; H197-A216 PolarHBondContact NE2-O 2.9Å; N204-A216 PolarHBondContact O-N 3.46Å; L206-A216 HydrophobicContact CD1-CB 3.82Å; L206-A216 HydrophobicContact CG-CB 3.96Å
217	D	78.3	Confident	75.1	Confident	65 Å²	65	42.8 Å²	42.8	35%	0.348	24%	0.238	S	C	.	.			trans	57	69.5	176.9	-146.9	-23.7	0	0	0	117.9	K106 G219	K106-D217 IonicContact NZ-OD1 3.37Å; K106-D217 PolarHBondContact NZ-OD1 3.37Å; K106-D217 IonicContact NZ-OD2 3.83Å; K106-D217 PolarHBondContact NZ-OD2 3.33Å; D217-G219 PolarHBondContact O-N 3.31Å; D217-G219 WeakPolarHBondContact OD1-CA 3.43Å; D217-G219 PolarHBondContact OD1-N 2.85Å
218	F	74.5	Confident	72.2	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.4	16.8	167.3	-64.2	-92	0	0	0	114.7	V127 I131 I136 H197 L215 F220 A221	V127-F218 HydrophobicContact CG1-CB 3.88Å; V127-F218 HydrophobicContact CG1-CD1 3.71Å; V127-F218 HydrophobicContact CG1-CG 3.94Å; I131-F218 HydrophobicContact CD1-CD1 3.88Å; I131-F218 HydrophobicContact CD1-CE1 3.48Å; I131-F218 VanDerWaalsContact CD1-CE1 3.48Å; I131-F218 HydrophobicContact CD1-CE2 4.39Å; I131-F218 HydrophobicContact CD1-CG 4.49Å; I131-F218 HydrophobicContact CD1-CZ 3.79Å; I136-F218 HydrophobicContact CD1-CZ 4.28Å; I136-F218 HydrophobicContact CG2-CE2 3.51Å; I136-F218 HydrophobicContact CG2-CZ 3.66Å; H197-F218 AromaticContact CD2-CD1 3.72Å; H197-F218 AromaticContact CD2-CE1 3.66Å; L215-F218 HydrophobicContact CD2-CZ 4.13Å; L215-F218 HydrophobicContact CG-CZ 4.31Å; F218-F220 PolarHBondContact O-N 3.35Å; F218-A221 HydrophobicContact CB-CB 3.82Å; F218-A221 HydrophobicContact CD1-CB 3.79Å; F218-A221 HydrophobicContact CG-CB 4.31Å; F218-A221 VanDerWaalsContact O-CB 3.32Å; F218-A221 WeakPolarHBondContact O-CB 3.4Å; F218-A221 PolarHBondContact O-N 3.33Å
219	G	58.9	Low	70.2	Confident	20 Å²	20	49.4 Å²	49.4	21%	0.206	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.9	-17.3	-179.5	0	0	0	0	0	115.1	D217	D217-G219 PolarHBondContact O-N 3.31Å; D217-G219 WeakPolarHBondContact OD1-CA 3.43Å; D217-G219 PolarHBondContact OD1-N 2.85Å
220	F	59.3	Low	68.3	Low	34 Å²	34	42.5 Å²	42.5	15%	0.149	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-105.6	-8.4	170.4	-63.5	-80.9	0	0	0	113.9	H197 R198 D199 F218 C234 N1022	H197-F220 CarbonylContact O-C 3.49Å; R198-F220 PolarHBondContact NE-O 2.63Å; R198-F220 PolarHBondContact NH2-O 3Å; D199-F220 HydrophobicContact CB-CB 4.05Å; D199-F220 HydrophobicContact CB-CD2 3.58Å; D199-F220 HydrophobicContact CB-CE2 4.29Å; D199-F220 HydrophobicContact CB-CG 4.08Å; D199-F220 VanDerWaalsContact OD2-CD2 3.28Å; D199-F220 WeakPolarHBondContact OD2-CD2 3.35Å; D199-F220 VanDerWaalsContact OD2-CE2 3.24Å; D199-F220 WeakPolarHBondContact OD2-CE2 3.24Å; F218-F220 PolarHBondContact O-N 3.35Å; F220-C234 HydrophobicContact CB-CB 4.43Å; F220-C234 HydrophobicContact CD1-CB 3.72Å; F220-C234 HydrophobicContact CE1-CB 4.33Å; F220-C234 HydrophobicContact CG-CB 4.38Å; F220-N1022 WeakPolarHBondContact CE1-ND2 3.32Å; F220-N1022 VanDerWaalsContact CZ-ND2 3.28Å; F220-N1022 WeakPolarHBondContact CZ-ND2 3.44Å; F220-N1022 WeakPolarHBondContact CZ-OD1 3.39Å
221	A	54.4	Low	66.1	Low	3 Å²	3	43 Å²	43	3%	0.025	26%	0.258	C	S	.	.			trans	-63.3	149.4	-174.7	0	0	0	0	0	111.3	R123 V127 I195 V196 H197 F218	R123-A221 VanDerWaalsContact CD-O 3.31Å; R123-A221 WeakPolarHBondContact CD-O 3.46Å; V127-A221 HydrophobicContact CG1-CB 4.29Å; I195-A221 HydrophobicContact CG2-CB 4.29Å; V196-A221 CarbonylContact O-C 3.48Å; V196-A221 WeakPolarHBondContact O-CA 3.45Å; V196-A221 WeakPolarHBondContact O-CB 3.48Å; H197-A221 WeakPolarHBondContact O-CA 3.25Å; H197-A221 PolarHBondContact O-N 3.45Å; F218-A221 HydrophobicContact CB-CB 3.82Å; F218-A221 HydrophobicContact CD1-CB 3.79Å; F218-A221 HydrophobicContact CG-CB 4.31Å; F218-A221 VanDerWaalsContact O-CB 3.32Å; F218-A221 WeakPolarHBondContact O-CB 3.4Å; F218-A221 PolarHBondContact O-N 3.33Å
222	N	58.1	Low	64	Low	20 Å²	20	43.3 Å²	43.3	11%	0.107	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.4	176.8	-164.2	21.1	0	0	0	111.4	R123 I195 V196 L230	R123-N222 WeakPolarHBondContact CD-OD1 3.27Å; R123-N222 PolarHBondContact NE-OD1 2.87Å; I195-N222 WeakPolarHBondContact CA-O 3.49Å; V196-N222 PolarHBondContact N-O 3.38Å; V196-N222 PolarHBondContact O-N 3.29Å; N222-L230 WeakPolarHBondContact ND2-CD2 3.16Å
223	H	56.5	Low	61.7	Low	63 Å²	63	45 Å²	45	29%	0.292	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.4	160.3	-71.6	-61.1	0	0	0	109.3	N194 I195	N194-H223 WeakPolarHBondContact O-CA 3.29Å; N194-H223 PolarHBondContact O-ND1 2.73Å; I195-H223 VanDerWaalsContact CG1-CE1 3.49Å; I195-H223 WeakPolarHBondContact CG1-CE1 3.41Å; I195-H223 WeakPolarHBondContact CG1-ND1 3.36Å
224	F	56.7	Low	59.6	Low	29 Å²	29	45.5 Å²	45.5	13%	0.127	27%	0.271	C	S	.	.			trans	-107.2	165.3	167.6	75	-80.6	0	0	0	109.7	N194 V196 P253	N194-F224 VanDerWaalsContact CA-CE1 3.46Å; N194-F224 HydrophobicContact CB-CD1 4.47Å; N194-F224 HydrophobicContact CB-CE1 4.33Å; N194-F224 PolarHBondContact O-N 3.18Å; V196-F224 HydrophobicContact CB-CD1 4.33Å; V196-F224 HydrophobicContact CG2-CD1 3.32Å; V196-F224 HydrophobicContact CG2-CE1 3.6Å; V196-F224 HydrophobicContact CG2-CG 4.07Å; F224-P253 HydrophobicContact CD2-CG 4.26Å; F224-P253 HydrophobicContact CE1-CG 4Å; F224-P253 HydrophobicContact CE2-CG 3.66Å; F224-P253 HydrophobicContact CZ-CG 3.51Å
225	N	45.1	Very low	57.6	Low	91 Å²	91	45.4 Å²	45.4	49%	0.487	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-143	135	172.1	169.6	10	0	0	0	105.7	A227 S228	N225-A227 PolarHBondContact O-N 3.48Å; N225-A227 PolarHBondContact OD1-N 3.06Å; N225-A227 VanDerWaalsContact OD1-N 3.14Å; N225-S228 PolarHBondContact O-N 3.08Å
226	A	47.1	Very low	56.4	Low	77 Å²	77	46.5 Å²	46.5	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.9	-179.6	0	0	0	0	0	113.5	M251	A226-M251 HydrophobicContact CB-CE 4.3Å
227	A	35.6	Very low	55.9	Low	89 Å²	89	47.5 Å²	47.5	74%	0.736	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-0.3	174	0	0	0	0	0	115	N225	N225-A227 PolarHBondContact O-N 3.48Å; N225-A227 PolarHBondContact OD1-N 3.06Å; N225-A227 VanDerWaalsContact OD1-N 3.14Å
228	S	37	Very low	56.3	Low	61 Å²	61	45.7 Å²	45.7	43%	0.427	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-145.7	109.4	-176.8	68	0	0	0	0	113.7	N225	N225-S228 PolarHBondContact O-N 3.08Å
229	L	51.3	Low	57.1	Low	91 Å²	91	46 Å²	46	48%	0.476	28%	0.281	S	S	.	.			trans	-65.7	149.1	174.3	-56.3	170.7	0	0	0	112.3	K249 Y250 M251	L229-K249 HydrophobicContact CB-CB 3.77Å; L229-K249 HydrophobicContact CB-CD 4.48Å; L229-K249 HydrophobicContact CD1-CB 3.66Å; L229-K249 HydrophobicContact CD1-CD 4.4Å; L229-K249 HydrophobicContact CG-CB 4.33Å; L229-Y250 WeakPolarHBondContact CA-O 3.31Å; L229-M251 HydrophobicContact CD2-CB 4.45Å; L229-M251 HydrophobicContact CD2-CG 3.62Å; L229-M251 HydrophobicContact CD2-SD 3.96Å
230	L	53.1	Low	58.6	Low	16 Å²	16	45.2 Å²	45.2	8%	0.084	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-90.2	148.3	174.9	-61.7	178.3	0	0	0	111.1	N222 K249 Y250	N222-L230 WeakPolarHBondContact ND2-CD2 3.16Å; L230-K249 WeakPolarHBondContact O-CA 3.46Å; L230-Y250 HydrophobicContact CB-CD1 4.15Å; L230-Y250 HydrophobicContact CB-CD2 4.02Å; L230-Y250 HydrophobicContact CB-CE1 3.73Å; L230-Y250 HydrophobicContact CB-CE2 3.59Å; L230-Y250 HydrophobicContact CB-CG 4.28Å; L230-Y250 VanDerWaalsContact CB-CZ 3.43Å; L230-Y250 HydrophobicContact CD1-CD2 4.38Å; L230-Y250 HydrophobicContact CD1-CE2 3.69Å; L230-Y250 HydrophobicContact CG-CE2 4.24Å; L230-Y250 PolarHBondContact N-O 2.95Å; L230-Y250 WeakPolarHBondContact O-CD1 3.33Å; L230-Y250 WeakPolarHBondContact O-CE1 3.48Å; L230-Y250 PolarHBondContact O-N 2.93Å
231	D	48	Very low	60.1	Low	120 Å²	120	43.6 Å²	43.6	64%	0.642	27%	0.266	S	S	*	.			trans	-118	-15.6	-177	65.9	-7.5	0	0	0	113.8	F233	D231-F233 PolarHBondContact O-N 3.03Å
232	T	50.8	Low	61.9	Low	56 Å²	56	43.6 Å²	43.6	34%	0.344	27%	0.266	S	S	.	.			trans	-86.9	113.8	-163.3	-47.1	0	0	0	0	109.6	C234 Y250	T232-C234 PolarHBondContact O-N 2.96Å; T232-Y250 PolarHBondContact O-OH 2.75Å
233	F	48.2	Very low	63.4	Low	65 Å²	65	43.1 Å²	43.1	29%	0.285	26%	0.263	S	S	.	.			trans	-63.4	119.9	170.5	-164.7	-71.4	0	0	0	110.5	D231 A240 L244 L245 Y1025	D231-F233 PolarHBondContact O-N 3.03Å; F233-A240 HydrophobicContact CZ-CB 4.24Å; F233-L244 HydrophobicContact CD2-CB 4.38Å; F233-L244 WeakPolarHBondContact CD2-O 3.44Å; F233-L244 HydrophobicContact CE2-CB 3.92Å; F233-L244 WeakPolarHBondContact CE2-O 3.47Å; F233-L245 HydrophobicContact CE2-CD2 4.07Å; F233-L245 HydrophobicContact CZ-CD2 4.01Å; F233-Y1025 HydrophobicContact CD1-CE2 4.21Å; F233-Y1025 HydrophobicContact CE1-CE1 4.43Å; F233-Y1025 AromaticContact CE1-CE2 3.53Å; F233-Y1025 HydrophobicContact CE1-CE2 3.53Å; F233-Y1025 AromaticContact CE1-CZ 3.43Å; F233-Y1025 VanDerWaalsContact CE1-CZ 3.43Å; F233-Y1025 WeakPolarHBondContact CE1-OH 3.41Å; F233-Y1025 HydrophobicContact CZ-CE1 4.16Å; F233-Y1025 HydrophobicContact CZ-CE2 4.08Å; F233-Y1025 AromaticContact CZ-CZ 3.5Å; F233-Y1025 WeakPolarHBondContact CZ-OH 3.49Å
234	C	54.7	Low	64.7	Low	10 Å²	10	40.6 Å²	40.6	7%	0.068	25%	0.251	C	S	.	.			trans	-147.9	154	174.5	-73.7	0	0	0	0	108.7	F220 T232	F220-C234 HydrophobicContact CB-CB 4.43Å; F220-C234 HydrophobicContact CD1-CB 3.72Å; F220-C234 HydrophobicContact CE1-CB 4.33Å; F220-C234 HydrophobicContact CG-CB 4.38Å; T232-C234 PolarHBondContact O-N 2.96Å
235	G	55.3	Low	65.9	Low	17 Å²	17	41 Å²	41	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	113.7	154	177.7	0	0	0	0	0	115.1	R198 D199 Y1025	R198-G235 WeakPolarHBondContact O-CA 3.1Å; D199-G235 WeakPolarHBondContact OD1-CA 3.5Å; G235-Y1025 PolarHBondContact O-OH 2.87Å
236	S	71.7	Confident	67.6	Low	25 Å²	25	40.2 Å²	40.2	18%	0.175	25%	0.25	C	S	.	.			trans	-68	131	174.9	-77.1	0	0	0	0	111.8	D199 K201 P238 Y239 A240	D199-S236 PolarHBondContact OD1-N 3.45Å; K201-S236 VanDerWaalsContact CD-OG 3.25Å; K201-S236 WeakPolarHBondContact CD-OG 3.18Å; K201-S236 PolarHBondContact NZ-OG 3.41Å; S236-P238 VanDerWaalsContact C-CD 3.5Å; S236-P238 VanDerWaalsContact O-N 3.16Å; S236-Y239 PolarHBondContact O-N 3.47Å; S236-A240 PolarHBondContact O-N 2.98Å
237	P	80.4	Confident	69	Low	34 Å²	34	39.5 Å²	39.5	22%	0.221	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-50.8	-41.2	-170.1	-18.2	17.6	0	0	0	117.8	Y239 A240 L279 L282 Y1025	P237-Y239 PolarHBondContact O-N 3.32Å; P237-A240 PolarHBondContact O-N 2.79Å; P237-L279 HydrophobicContact CB-CD2 3.96Å; P237-L279 HydrophobicContact CG-CD2 4.22Å; P237-L282 HydrophobicContact CB-CD2 3.84Å; P237-Y1025 WeakPolarHBondContact CA-OH 3.25Å; P237-Y1025 HydrophobicContact CB-CE1 3.8Å; P237-Y1025 WeakPolarHBondContact CB-OH 3.24Å; P237-Y1025 HydrophobicContact CG-CE1 3.81Å; P237-Y1025 HydrophobicContact CG-CE2 4.13Å; P237-Y1025 WeakPolarHBondContact CG-OH 3.26Å
238	P	86.7	Confident	70.9	Confident	28 Å²	28	39.9 Å²	39.9	18%	0.182	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-71.6	-15.6	-178.6	-19.6	34	0	0	0	114.7	S236 L272 L282	S236-P238 VanDerWaalsContact C-CD 3.5Å; S236-P238 VanDerWaalsContact O-N 3.16Å; P238-L272 HydrophobicContact CB-CD1 3.8Å; P238-L272 HydrophobicContact CB-CD2 4.42Å; P238-L272 HydrophobicContact CG-CD1 4.13Å; P238-L282 HydrophobicContact CG-CD2 4.4Å
239	Y	90.7	Very high	72.5	Confident	17 Å²	17	44.1 Å²	44.1	7%	0.067	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-103.3	-3.8	178.9	-55.8	-94.9	0	0	0	112.2	K201 A202 E203 S236 P237 V262 L263 L272	K201-Y239 HydrophobicContact CB-CD1 4.15Å; K201-Y239 HydrophobicContact CB-CD2 3.76Å; K201-Y239 HydrophobicContact CB-CE1 3.92Å; K201-Y239 HydrophobicContact CB-CE2 3.48Å; K201-Y239 VanDerWaalsContact CB-CE2 3.48Å; K201-Y239 HydrophobicContact CB-CG 4.06Å; A202-Y239 PolarHBondContact N-OH 2.86Å; E203-Y239 PolarHBondContact OE2-OH 3.35Å; S236-Y239 PolarHBondContact O-N 3.47Å; P237-Y239 PolarHBondContact O-N 3.32Å; Y239-V262 HydrophobicContact CD1-CB 4.03Å; Y239-V262 HydrophobicContact CD1-CG1 3.42Å; Y239-V262 VanDerWaalsContact CD1-CG1 3.42Å; Y239-V262 HydrophobicContact CE1-CG1 3.84Å; Y239-V262 HydrophobicContact CG-CG1 4.1Å; Y239-L263 HydrophobicContact CD1-CG 4.42Å; Y239-L263 HydrophobicContact CE1-CD2 3.99Å; Y239-L263 HydrophobicContact CE1-CG 4.14Å; Y239-L272 HydrophobicContact CE1-CD2 4.13Å; Y239-L272 HydrophobicContact CE2-CD2 4.49Å
240	A	89.5	Confident	73.5	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.033	23%	0.227	C	C	.	.			trans	-76.3	133.7	180	0	0	0	0	0	110.9	F233 S236 P237 L244 L245 W258	F233-A240 HydrophobicContact CZ-CB 4.24Å; S236-A240 PolarHBondContact O-N 2.98Å; P237-A240 PolarHBondContact O-N 2.79Å; A240-L244 HydrophobicContact CB-CD1 4.36Å; A240-L245 HydrophobicContact CB-CD2 4.03Å; A240-L245 HydrophobicContact CB-CG 4.15Å; A240-W258 PolarHBondContact O-NE1 3.05Å
241	A	91.3	Very high	74.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.			trans	-68.6	155.6	175.8	0	0	0	0	0	112.3	E243 L244 L245 V255 W258	A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 VanDerWaalsContact CB-CD 3.44Å; A241-E243 HydrophobicContact CB-CG 4.35Å; A241-E243 WeakPolarHBondContact CB-OE1 3.42Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.08Å; A241-L244 WeakPolarHBondContact O-CB 3.29Å; A241-L244 PolarHBondContact O-N 3.36Å; A241-L244 VanDerWaalsContact O-N 3.11Å; A241-L245 PolarHBondContact O-N 3.05Å; A241-V255 HydrophobicContact CB-CB 4.22Å; A241-V255 HydrophobicContact CB-CG1 4.06Å; A241-W258 VanDerWaalsContact CA-CD1 3.47Å; A241-W258 HydrophobicContact CB-CB 3.74Å; A241-W258 HydrophobicContact CB-CD2 4.2Å; A241-W258 HydrophobicContact CB-CG 3.66Å
242	P	91.6	Very high	75.8	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-52.3	-44.7	-179.6	-26.3	33.7	0	0	0	113.6	L244 L245 N246 W258 I286 I311	P242-L244 VanDerWaalsContact C-N 3.3Å; P242-L244 PolarHBondContact O-N 2.72Å; P242-L245 PolarHBondContact O-N 3.26Å; P242-L245 VanDerWaalsContact O-N 3.07Å; P242-N246 PolarHBondContact O-N 3.01Å; P242-W258 HydrophobicContact CG-CE3 4.34Å; P242-W258 HydrophobicContact CG-CH2 3.77Å; P242-W258 HydrophobicContact CG-CZ2 4.17Å; P242-W258 HydrophobicContact CG-CZ3 3.86Å; P242-I286 HydrophobicContact CB-CG2 4.36Å; P242-I286 HydrophobicContact CG-CG2 3.84Å; P242-I311 HydrophobicContact CB-CG2 4.38Å; P242-I311 HydrophobicContact CG-CG2 4.25Å
243	E	90.1	Very high	77.7	Confident	9 Å²	9	35 Å²	35	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-36.2	-179.6	61.8	-86.6	-158.1	0	0	112.6	A241 G247 E248 V255 R316	A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 VanDerWaalsContact CB-CD 3.44Å; A241-E243 HydrophobicContact CB-CG 4.35Å; A241-E243 WeakPolarHBondContact CB-OE1 3.42Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.08Å; E243-G247 PolarHBondContact O-N 2.76Å; E243-E248 HydrophobicContact CB-CB 4.3Å; E243-E248 WeakPolarHBondContact O-CB 3.32Å; E243-E248 PolarHBondContact O-N 2.93Å; E243-V255 HydrophobicContact CG-CG1 4.03Å; E243-V255 WeakPolarHBondContact OE1-CG1 3.22Å; E243-R316 IonicContact OE1-CZ 3.31Å; E243-R316 IonicContact OE1-NH1 2.72Å; E243-R316 PolarHBondContact OE1-NH1 2.9Å; E243-R316 IonicContact OE1-NH2 2.7Å; E243-R316 PolarHBondContact OE1-NH2 3Å; E243-R316 IonicContact OE2-CZ 3.82Å; E243-R316 IonicContact OE2-NH1 3.51Å; E243-R316 IonicContact OE2-NH2 3.84Å; E243-R316 PolarHBondContact OE2-NH2 2.92Å
244	L	84.2	Confident	79.8	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-46.8	173.5	-70.9	172.9	0	0	0	110.8	F233 A240 A241 P242 N246 G247 Y250 V255	F233-L244 HydrophobicContact CD2-CB 4.38Å; F233-L244 WeakPolarHBondContact CD2-O 3.44Å; F233-L244 HydrophobicContact CE2-CB 3.92Å; F233-L244 WeakPolarHBondContact CE2-O 3.47Å; A240-L244 HydrophobicContact CB-CD1 4.36Å; A241-L244 WeakPolarHBondContact O-CB 3.29Å; A241-L244 PolarHBondContact O-N 3.36Å; A241-L244 VanDerWaalsContact O-N 3.11Å; P242-L244 VanDerWaalsContact C-N 3.3Å; P242-L244 PolarHBondContact O-N 2.72Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.43Å; L244-G247 WeakPolarHBondContact O-CA 3.46Å; L244-G247 PolarHBondContact O-N 2.98Å; L244-Y250 HydrophobicContact CD2-CD1 3.55Å; L244-Y250 HydrophobicContact CD2-CD2 4.18Å; L244-Y250 HydrophobicContact CD2-CE1 3.31Å; L244-Y250 HydrophobicContact CD2-CE2 3.98Å; L244-Y250 HydrophobicContact CD2-CG 4Å; L244-V255 HydrophobicContact CD1-CB 3.94Å; L244-V255 HydrophobicContact CD1-CG1 3.97Å; L244-V255 HydrophobicContact CD1-CG2 4.37Å; L244-V255 HydrophobicContact CD2-CG1 4.27Å; L244-V255 HydrophobicContact CG-CB 4.38Å; L244-V255 HydrophobicContact CG-CG1 3.83Å
245	L	81.4	Confident	81.6	Confident	37 Å²	37	33.9 Å²	33.9	19%	0.194	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-32.7	-176.2	-65	172.9	0	0	0	112.6	F233 A240 A241 P242 G247 I286 Y1025	F233-L245 HydrophobicContact CE2-CD2 4.07Å; F233-L245 HydrophobicContact CZ-CD2 4.01Å; A240-L245 HydrophobicContact CB-CD2 4.03Å; A240-L245 HydrophobicContact CB-CG 4.15Å; A241-L245 PolarHBondContact O-N 3.05Å; P242-L245 PolarHBondContact O-N 3.26Å; P242-L245 VanDerWaalsContact O-N 3.07Å; L245-G247 PolarHBondContact O-N 2.92Å; L245-I286 HydrophobicContact CD1-CB 3.95Å; L245-I286 HydrophobicContact CD1-CD1 3.65Å; L245-I286 HydrophobicContact CD1-CG1 4.39Å; L245-I286 HydrophobicContact CD1-CG2 3.6Å; L245-Y1025 HydrophobicContact CD2-CE1 4.09Å
246	N	82	Confident	83.5	Confident	75 Å²	75	33.1 Å²	33.1	40%	0.401	18%	0.184	S	C	.	.	H	α-helix	trans	-71.8	-18.5	172	-65.7	-8.6	0	0	0	112.8	P242 L244 E248 H283	P242-N246 PolarHBondContact O-N 3.01Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.43Å; N246-E248 HydrophobicContact CB-CG 3.88Å; N246-E248 WeakPolarHBondContact CB-OE1 3.4Å; N246-E248 PolarHBondContact ND2-OE1 3.43Å; N246-H283 PolarHBondContact OD1-NE2 3.12Å
247	G	75.4	Confident	84.7	Confident	62 Å²	62	32.1 Å²	32.1	64%	0.639	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	25.5	-175.3	0	0	0	0	0	113.1	E243 L244 L245	E243-G247 PolarHBondContact O-N 2.76Å; L244-G247 WeakPolarHBondContact O-CA 3.46Å; L244-G247 PolarHBondContact O-N 2.98Å; L245-G247 PolarHBondContact O-N 2.92Å
248	E	75	Confident	85.5	Confident	97 Å²	97	30.5 Å²	30.5	45%	0.453	17%	0.167	S	C	.	.			trans	-76.2	159.9	179.6	-67.6	167.7	-143.7	0	0	111.3	E243 N246 Y250	E243-E248 HydrophobicContact CB-CB 4.3Å; E243-E248 WeakPolarHBondContact O-CB 3.32Å; E243-E248 PolarHBondContact O-N 2.93Å; N246-E248 HydrophobicContact CB-CG 3.88Å; N246-E248 WeakPolarHBondContact CB-OE1 3.4Å; N246-E248 PolarHBondContact ND2-OE1 3.43Å; E248-Y250 PolarHBondContact O-N 3.4Å
249	K	71.6	Confident	85.9	Confident	151 Å²	151	29.4 Å²	29.4	66%	0.657	16%	0.16	S	C	*	.			trans	-82.1	116.8	175.8	-77.8	-172.7	176.3	-177.9	0	109.3	L229 L230	L229-K249 HydrophobicContact CB-CB 3.77Å; L229-K249 HydrophobicContact CB-CD 4.48Å; L229-K249 HydrophobicContact CD1-CB 3.66Å; L229-K249 HydrophobicContact CD1-CD 4.4Å; L229-K249 HydrophobicContact CG-CB 4.33Å; L230-K249 WeakPolarHBondContact O-CA 3.46Å
250	Y	73.2	Confident	86.3	Confident	8 Å²	8	28.6 Å²	28.6	3%	0.031	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-107.5	143.1	-169.5	58.6	-78.8	0	0	0	112.6	R198 L229 L230 T232 L244 E248 V255	R198-Y250 WeakPolarHBondContact CD-OH 3.31Å; R198-Y250 PolarHBondContact NH1-OH 3.36Å; L229-Y250 WeakPolarHBondContact CA-O 3.31Å; L230-Y250 HydrophobicContact CB-CD1 4.15Å; L230-Y250 HydrophobicContact CB-CD2 4.02Å; L230-Y250 HydrophobicContact CB-CE1 3.73Å; L230-Y250 HydrophobicContact CB-CE2 3.59Å; L230-Y250 HydrophobicContact CB-CG 4.28Å; L230-Y250 VanDerWaalsContact CB-CZ 3.43Å; L230-Y250 HydrophobicContact CD1-CD2 4.38Å; L230-Y250 HydrophobicContact CD1-CE2 3.69Å; L230-Y250 HydrophobicContact CG-CE2 4.24Å; L230-Y250 PolarHBondContact N-O 2.95Å; L230-Y250 WeakPolarHBondContact O-CD1 3.33Å; L230-Y250 WeakPolarHBondContact O-CE1 3.48Å; L230-Y250 PolarHBondContact O-N 2.93Å; T232-Y250 PolarHBondContact O-OH 2.75Å; L244-Y250 HydrophobicContact CD2-CD1 3.55Å; L244-Y250 HydrophobicContact CD2-CD2 4.18Å; L244-Y250 HydrophobicContact CD2-CE1 3.31Å; L244-Y250 HydrophobicContact CD2-CE2 3.98Å; L244-Y250 HydrophobicContact CD2-CG 4Å; E248-Y250 PolarHBondContact O-N 3.4Å; Y250-V255 HydrophobicContact CD2-CB 4.47Å; Y250-V255 HydrophobicContact CD2-CG1 3.67Å; Y250-V255 HydrophobicContact CD2-CG2 3.86Å; Y250-V255 HydrophobicContact CE2-CG1 4.38Å; Y250-V255 HydrophobicContact CE2-CG2 3.91Å; Y250-V255 HydrophobicContact CG-CG1 4.05Å
251	M	67.9	Low	86.7	Confident	61 Å²	61	28.4 Å²	28.4	30%	0.3	16%	0.155	S	C	.	.			trans	-67.4	144.9	154.1	-74.8	-73.9	-74.9	0	0	107.9	A226 L229 E254	A226-M251 HydrophobicContact CB-CE 4.3Å; L229-M251 HydrophobicContact CD2-CB 4.45Å; L229-M251 HydrophobicContact CD2-CG 3.62Å; L229-M251 HydrophobicContact CD2-SD 3.96Å; M251-E254 WeakPolarHBondContact CA-OE2 3.38Å; M251-E254 VanDerWaalsContact CB-CD 3.44Å; M251-E254 WeakPolarHBondContact CB-OE2 3.43Å; M251-E254 VanDerWaalsContact O-OE2 3.08Å
252	G	81	Confident	87	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-73.1	-51.9	-168.9	0	0	0	0	0	114.8	V196 E254 V255	V196-G252 WeakPolarHBondContact CG1-O 3.16Å; V196-G252 VanDerWaalsContact CG2-C 3.45Å; G252-E254 VanDerWaalsContact C-N 3.25Å; G252-E254 PolarHBondContact N-OE2 3.13Å; G252-E254 PolarHBondContact O-N 3.42Å; G252-V255 VanDerWaalsContact O-CG2 3.25Å; G252-V255 WeakPolarHBondContact O-CG2 3.5Å; G252-V255 PolarHBondContact O-N 3.41Å
253	P	90.1	Very high	87.2	Confident	22 Å²	22	28.3 Å²	28.3	14%	0.143	15%	0.154	C	C	.	.	H	α-helix	trans	-52	-40.2	-174.8	-33.7	39.9	0	0	0	115.2	H191 V196 F224 V255 D256 V257	H191-P253 WeakPolarHBondContact CE1-CA 3.16Å; H191-P253 PolarHBondContact CE1-O 3.1Å; H191-P253 WeakPolarHBondContact ND1-CB 3.33Å; V196-P253 HydrophobicContact CG2-CG 4.15Å; F224-P253 HydrophobicContact CD2-CG 4.26Å; F224-P253 HydrophobicContact CE1-CG 4Å; F224-P253 HydrophobicContact CE2-CG 3.66Å; F224-P253 HydrophobicContact CZ-CG 3.51Å; P253-V255 VanDerWaalsContact C-N 3.34Å; P253-V255 PolarHBondContact O-N 3.29Å; P253-D256 WeakPolarHBondContact O-CB 3.08Å; P253-D256 PolarHBondContact O-N 3.01Å; P253-D256 VanDerWaalsContact O-N 3.08Å; P253-V257 WeakPolarHBondContact O-CG2 3.12Å; P253-V257 PolarHBondContact O-N 2.78Å; P253-V257 VanDerWaalsContact O-N 3.08Å
254	E	93	Very high	87.6	Confident	45 Å²	45	27.9 Å²	27.9	21%	0.21	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-33.1	-168	-58.9	75.2	-172.2	0	0	111.6	M251 G252 V257 W258 P313 R316	M251-E254 WeakPolarHBondContact CA-OE2 3.38Å; M251-E254 VanDerWaalsContact CB-CD 3.44Å; M251-E254 WeakPolarHBondContact CB-OE2 3.43Å; M251-E254 VanDerWaalsContact O-OE2 3.08Å; G252-E254 VanDerWaalsContact C-N 3.25Å; G252-E254 PolarHBondContact N-OE2 3.13Å; G252-E254 PolarHBondContact O-N 3.42Å; E254-V257 WeakPolarHBondContact O-CB 3.31Å; E254-V257 PolarHBondContact O-N 3.03Å; E254-W258 PolarHBondContact O-N 3.49Å; E254-P313 HydrophobicContact CB-CB 4.09Å; E254-P313 HydrophobicContact CG-CB 4.45Å; E254-R316 WeakPolarHBondContact O-CD 3.49Å; E254-R316 PolarHBondContact O-NH1 3.18Å
255	V	92.2	Very high	88.3	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-73.5	-28	175.3	-56.9	0	0	0	0	112.6	V196 A241 E243 L244 Y250 G252 P253 A259	V196-V255 HydrophobicContact CG1-CG2 4.5Å; A241-V255 HydrophobicContact CB-CB 4.22Å; A241-V255 HydrophobicContact CB-CG1 4.06Å; E243-V255 HydrophobicContact CG-CG1 4.03Å; E243-V255 WeakPolarHBondContact OE1-CG1 3.22Å; L244-V255 HydrophobicContact CD1-CB 3.94Å; L244-V255 HydrophobicContact CD1-CG1 3.97Å; L244-V255 HydrophobicContact CD1-CG2 4.37Å; L244-V255 HydrophobicContact CD2-CG1 4.27Å; L244-V255 HydrophobicContact CG-CB 4.38Å; L244-V255 HydrophobicContact CG-CG1 3.83Å; Y250-V255 HydrophobicContact CD2-CB 4.47Å; Y250-V255 HydrophobicContact CD2-CG1 3.67Å; Y250-V255 HydrophobicContact CD2-CG2 3.86Å; Y250-V255 HydrophobicContact CE2-CG1 4.38Å; Y250-V255 HydrophobicContact CE2-CG2 3.91Å; Y250-V255 HydrophobicContact CG-CG1 4.05Å; G252-V255 VanDerWaalsContact O-CG2 3.25Å; G252-V255 WeakPolarHBondContact O-CG2 3.5Å; G252-V255 PolarHBondContact O-N 3.41Å; P253-V255 VanDerWaalsContact C-N 3.34Å; P253-V255 PolarHBondContact O-N 3.29Å; V255-A259 PolarHBondContact O-N 3.21Å
256	D	94.1	Very high	89	Confident	2 Å²	2	27 Å²	27	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-72.2	-38.1	170.6	-82.7	-10.7	0	0	0	110.3	V187 H191 V196 H197 R198 L200 P253 W258 A259 L260	V187-D256 HydrophobicContact CG1-CB 4.21Å; H191-D256 IonicContact CD2-OD2 3.56Å; H191-D256 IonicContact CE1-OD2 3.62Å; H191-D256 IonicContact NE2-OD2 2.81Å; H191-D256 PolarHBondContact NE2-OD2 3.44Å; V196-D256 WeakPolarHBondContact CG1-OD2 3.46Å; H197-D256 PolarHBondContact N-OD2 2.98Å; R198-D256 PolarHBondContact N-OD1 3.09Å; L200-D256 HydrophobicContact CD1-CB 3.67Å; P253-D256 WeakPolarHBondContact O-CB 3.08Å; P253-D256 PolarHBondContact O-N 3.01Å; P253-D256 VanDerWaalsContact O-N 3.08Å; D256-W258 PolarHBondContact O-N 3.11Å; D256-A259 PolarHBondContact O-N 2.86Å; D256-L260 WeakPolarHBondContact O-CG 3.1Å; D256-L260 PolarHBondContact O-N 2.88Å
257	V	97	Very high	89.7	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.024	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-45.5	174.9	-179.2	0	0	0	0	111.4	P253 E254 A259 L260 G261 M308 R316 L319 L322	P253-V257 WeakPolarHBondContact O-CG2 3.12Å; P253-V257 PolarHBondContact O-N 2.78Å; P253-V257 VanDerWaalsContact O-N 3.08Å; E254-V257 WeakPolarHBondContact O-CB 3.31Å; E254-V257 PolarHBondContact O-N 3.03Å; V257-A259 VanDerWaalsContact C-N 3.35Å; V257-A259 PolarHBondContact O-N 2.79Å; V257-L260 WeakPolarHBondContact O-CB 3.21Å; V257-L260 PolarHBondContact O-N 2.88Å; V257-L260 VanDerWaalsContact O-N 3.16Å; V257-G261 PolarHBondContact O-N 3.36Å; V257-M308 HydrophobicContact CG1-CB 4.09Å; V257-M308 HydrophobicContact CG1-CG 3.89Å; V257-R316 HydrophobicContact CB-CG 4.35Å; V257-R316 HydrophobicContact CG1-CG 3.83Å; V257-L319 HydrophobicContact CG2-CD2 3.72Å; V257-L319 HydrophobicContact CG2-CG 4.29Å; V257-L322 HydrophobicContact CG1-CD1 3.93Å
258	W	96.7	Very high	90.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-46.9	176	176.8	-85.2	0	0	0	111.8	A240 A241 P242 E254 D256 L260 G261 V262 F274 I286 L309	A240-W258 PolarHBondContact O-NE1 3.05Å; A241-W258 VanDerWaalsContact CA-CD1 3.47Å; A241-W258 HydrophobicContact CB-CB 3.74Å; A241-W258 HydrophobicContact CB-CD2 4.2Å; A241-W258 HydrophobicContact CB-CG 3.66Å; P242-W258 HydrophobicContact CG-CE3 4.34Å; P242-W258 HydrophobicContact CG-CH2 3.77Å; P242-W258 HydrophobicContact CG-CZ2 4.17Å; P242-W258 HydrophobicContact CG-CZ3 3.86Å; E254-W258 PolarHBondContact O-N 3.49Å; D256-W258 PolarHBondContact O-N 3.11Å; W258-L260 VanDerWaalsContact C-N 3.26Å; W258-L260 PolarHBondContact O-N 2.82Å; W258-G261 WeakPolarHBondContact O-CA 3.25Å; W258-G261 PolarHBondContact O-N 3.43Å; W258-V262 PolarHBondContact O-N 3.43Å; W258-F274 HydrophobicContact CH2-CE2 4.04Å; W258-F274 HydrophobicContact CH2-CZ 4.01Å; W258-F274 HydrophobicContact CZ2-CD2 4.17Å; W258-F274 AromaticContact CZ2-CE2 3.37Å; W258-F274 HydrophobicContact CZ2-CE2 3.37Å; W258-F274 AromaticContact CZ2-CZ 3.81Å; W258-F274 HydrophobicContact CZ2-CZ 3.81Å; W258-I286 HydrophobicContact CH2-CG2 4.39Å; W258-I286 HydrophobicContact CZ2-CG2 3.76Å; W258-L309 HydrophobicContact CD2-CD2 3.9Å; W258-L309 HydrophobicContact CE3-CD2 4.09Å; W258-L309 HydrophobicContact CG-CD2 4.38Å; W258-L309 HydrophobicContact CH2-CD2 4.4Å; W258-L309 HydrophobicContact CZ2-CD2 4.21Å; W258-L309 HydrophobicContact CZ3-CB 4.26Å; W258-L309 HydrophobicContact CZ3-CD2 4.35Å; W258-L309 WeakPolarHBondContact CZ3-O 3.44Å
259	A	96.1	Very high	91.8	Very high	5 Å²	5	16.7 Å²	16.7	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-64.1	-30.6	178.3	0	0	0	0	0	112.7	L200 V255 D256 V257 V262 L263	L200-A259 HydrophobicContact CB-CB 3.79Å; V255-A259 PolarHBondContact O-N 3.21Å; D256-A259 PolarHBondContact O-N 2.86Å; V257-A259 VanDerWaalsContact C-N 3.35Å; V257-A259 PolarHBondContact O-N 2.79Å; A259-V262 PolarHBondContact O-N 3.21Å; A259-L263 WeakPolarHBondContact O-CB 3.49Å; A259-L263 WeakPolarHBondContact O-CG 3.46Å; A259-L263 PolarHBondContact O-N 2.72Å
260	L	98	Very high	92.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-39.5	169.8	-69.1	176.5	0	0	0	112.2	F180 I183 L184 V187 L200 D256 V257 W258 L263 L264 M308 L319	F180-L260 HydrophobicContact CE2-CB 4.27Å; F180-L260 HydrophobicContact CE2-CD2 4.32Å; F180-L260 WeakPolarHBondContact CE2-O 3.41Å; F180-L260 HydrophobicContact CZ-CB 3.93Å; I183-L260 HydrophobicContact CG2-CD2 3.33Å; L184-L260 HydrophobicContact CD1-CD1 4.2Å; V187-L260 HydrophobicContact CB-CD1 4.4Å; V187-L260 HydrophobicContact CG1-CD1 4.31Å; V187-L260 HydrophobicContact CG2-CD2 4.3Å; L200-L260 HydrophobicContact CD1-CD2 4.08Å; L200-L260 HydrophobicContact CD1-CG 4.08Å; D256-L260 WeakPolarHBondContact O-CG 3.1Å; D256-L260 PolarHBondContact O-N 2.88Å; V257-L260 WeakPolarHBondContact O-CB 3.21Å; V257-L260 PolarHBondContact O-N 2.88Å; V257-L260 VanDerWaalsContact O-N 3.16Å; W258-L260 VanDerWaalsContact C-N 3.26Å; W258-L260 PolarHBondContact O-N 2.82Å; L260-L263 HydrophobicContact CD2-CD1 4.39Å; L260-L263 PolarHBondContact O-N 2.79Å; L260-L264 PolarHBondContact O-N 3.08Å; L260-M308 HydrophobicContact CB-SD 3.93Å; L260-L319 HydrophobicContact CD1-CD2 3.66Å
261	G	98.1	Very high	93.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-45.3	171.6	0	0	0	0	0	112.8	V257 W258 L263 L264 Y265	V257-G261 PolarHBondContact O-N 3.36Å; W258-G261 WeakPolarHBondContact O-CA 3.25Å; W258-G261 PolarHBondContact O-N 3.43Å; G261-L263 VanDerWaalsContact C-N 3.35Å; G261-L263 PolarHBondContact O-N 2.69Å; G261-L264 PolarHBondContact O-N 3.26Å; G261-Y265 PolarHBondContact O-N 2.9Å
262	V	97.7	Very high	95	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-41.7	174.8	175.9	0	0	0	0	111.5	Y239 W258 A259 L266 L272 P273 F274 L309	Y239-V262 HydrophobicContact CD1-CB 4.03Å; Y239-V262 HydrophobicContact CD1-CG1 3.42Å; Y239-V262 VanDerWaalsContact CD1-CG1 3.42Å; Y239-V262 HydrophobicContact CE1-CG1 3.84Å; Y239-V262 HydrophobicContact CG-CG1 4.1Å; W258-V262 PolarHBondContact O-N 3.43Å; A259-V262 PolarHBondContact O-N 3.21Å; V262-L266 VanDerWaalsContact O-CB 3.31Å; V262-L266 WeakPolarHBondContact O-CB 3.4Å; V262-L266 PolarHBondContact O-N 3.1Å; V262-L272 HydrophobicContact CG1-CD2 3.73Å; V262-P273 HydrophobicContact CB-CG 4.37Å; V262-P273 HydrophobicContact CG1-CG 4.13Å; V262-P273 HydrophobicContact CG2-CG 4.14Å; V262-F274 HydrophobicContact CG2-CD2 4.45Å; V262-F274 HydrophobicContact CG2-CE2 4.33Å; V262-L309 HydrophobicContact CG2-CD2 3.89Å
263	L	97.4	Very high	95.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.3	-42.6	177.4	-81.3	165.5	0	0	0	113.2	L200 A202 L205 Y239 A259 L260 G261 L266 F267	L200-L263 HydrophobicContact CB-CD1 4.18Å; A202-L263 HydrophobicContact CB-CD2 4.38Å; L205-L263 HydrophobicContact CD1-CD1 4.07Å; L205-L263 HydrophobicContact CD1-CD2 3.86Å; Y239-L263 HydrophobicContact CD1-CG 4.42Å; Y239-L263 HydrophobicContact CE1-CD2 3.99Å; Y239-L263 HydrophobicContact CE1-CG 4.14Å; A259-L263 WeakPolarHBondContact O-CB 3.49Å; A259-L263 WeakPolarHBondContact O-CG 3.46Å; A259-L263 PolarHBondContact O-N 2.72Å; L260-L263 HydrophobicContact CD2-CD1 4.39Å; L260-L263 PolarHBondContact O-N 2.79Å; G261-L263 VanDerWaalsContact C-N 3.35Å; G261-L263 PolarHBondContact O-N 2.69Å; L263-L266 PolarHBondContact O-N 2.85Å; L263-F267 HydrophobicContact CD2-CE1 4.32Å; L263-F267 VanDerWaalsContact O-CD1 3.28Å; L263-F267 WeakPolarHBondContact O-CD1 3.38Å; L263-F267 WeakPolarHBondContact O-CG 3.39Å; L263-F267 PolarHBondContact O-N 2.84Å
264	L	98.2	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.6	-46.3	178.1	-178.9	54.3	0	0	0	111.1	F180 L260 G261 L266 F267 I268 I304 I305 M308 W327	F180-L264 HydrophobicContact CB-CD1 4.49Å; F180-L264 HydrophobicContact CD1-CD2 4.41Å; F180-L264 HydrophobicContact CD2-CB 4.04Å; F180-L264 HydrophobicContact CD2-CD1 4.23Å; F180-L264 HydrophobicContact CE1-CD2 4.16Å; F180-L264 HydrophobicContact CE2-CB 3.65Å; F180-L264 HydrophobicContact CG-CD1 4.19Å; F180-L264 HydrophobicContact CZ-CB 3.89Å; F180-L264 HydrophobicContact CZ-CD2 4.3Å; L260-L264 PolarHBondContact O-N 3.08Å; G261-L264 PolarHBondContact O-N 3.26Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.41Å; L264-F267 PolarHBondContact O-N 3.02Å; L264-F267 VanDerWaalsContact O-N 3.16Å; L264-I268 HydrophobicContact CD1-CG1 4.1Å; L264-I268 WeakPolarHBondContact O-CG1 3.48Å; L264-I268 PolarHBondContact O-N 3.29Å; L264-I268 VanDerWaalsContact O-N 3.12Å; L264-I304 HydrophobicContact CD2-CG2 3.85Å; L264-I305 HydrophobicContact CB-CG1 4.29Å; L264-I305 HydrophobicContact CD2-CD1 4.37Å; L264-I305 HydrophobicContact CD2-CG1 3.75Å; L264-I305 HydrophobicContact CG-CD1 4.1Å; L264-I305 HydrophobicContact CG-CG1 3.9Å; L264-M308 HydrophobicContact CB-CE 4.15Å; L264-M308 HydrophobicContact CD2-CE 3.65Å; L264-W327 HydrophobicContact CD1-CH2 3.5Å; L264-W327 HydrophobicContact CD1-CZ2 4.34Å; L264-W327 HydrophobicContact CD1-CZ3 3.78Å; L264-W327 HydrophobicContact CD2-CE3 4.29Å; L264-W327 HydrophobicContact CD2-CH2 4.35Å; L264-W327 HydrophobicContact CD2-CZ3 3.91Å
265	Y	98	Very high	95.7	Very high	16 Å²	16	12.9 Å²	12.9	6%	0.063	8%	0.078	C	C	.	.	H	α-helix	trans	-55.9	-43.9	174.3	-179.2	-79.8	0	0	0	111.3	G261 F267 I268 S269 T271 P273 Y291 R292 P294 M297	G261-Y265 PolarHBondContact O-N 2.9Å; Y265-F267 PolarHBondContact O-N 2.98Å; Y265-I268 PolarHBondContact O-N 3.41Å; Y265-S269 WeakPolarHBondContact CD1-OG 3.22Å; Y265-S269 WeakPolarHBondContact CE1-OG 3.48Å; Y265-S269 WeakPolarHBondContact O-CB 3.11Å; Y265-S269 PolarHBondContact O-N 2.98Å; Y265-S269 PolarHBondContact O-OG 3.37Å; Y265-T271 VanDerWaalsContact CD1-O 3.28Å; Y265-T271 WeakPolarHBondContact CD1-O 3.45Å; Y265-T271 VanDerWaalsContact CE1-O 3.31Å; Y265-T271 WeakPolarHBondContact CE1-O 3.47Å; Y265-P273 HydrophobicContact CD1-CB 3.64Å; Y265-P273 VanDerWaalsContact CD1-CD 3.45Å; Y265-P273 HydrophobicContact CD1-CG 3.94Å; Y265-P273 HydrophobicContact CD2-CB 4.13Å; Y265-P273 VanDerWaalsContact CE1-CA 3.46Å; Y265-P273 HydrophobicContact CE1-CB 3.89Å; Y265-P273 HydrophobicContact CE2-CB 4.35Å; Y265-P273 HydrophobicContact CG-CB 3.78Å; Y265-P273 HydrophobicContact CG-CG 4.11Å; Y265-Y291 AromaticContact CD2-CD2 3.91Å; Y265-Y291 HydrophobicContact CD2-CD2 3.91Å; Y265-Y291 HydrophobicContact CD2-CE2 4.12Å; Y265-Y291 AromaticContact CE2-CD2 3.76Å; Y265-Y291 HydrophobicContact CE2-CD2 3.76Å; Y265-Y291 HydrophobicContact CE2-CE2 4.28Å; Y265-R292 WeakPolarHBondContact CE2-O 3.35Å; Y265-R292 PolarHBondContact OH-O 2.98Å; Y265-R292 VanDerWaalsContact OH-O 3.08Å; Y265-P294 HydrophobicContact CE2-CG 4.49Å; Y265-M297 HydrophobicContact CD2-CE 4.17Å
266	L	96.6	Very high	95.6	Very high	13 Å²	13	14.5 Å²	14.5	7%	0.068	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-40	178	176.7	63.6	0	0	0	112.7	L165 A202 V262 L263 L264 G270 T271 L272	L165-L266 HydrophobicContact CD1-CD2 3.91Å; L165-L266 HydrophobicContact CD1-CG 3.91Å; A202-L266 HydrophobicContact CB-CD2 4.07Å; V262-L266 VanDerWaalsContact O-CB 3.31Å; V262-L266 WeakPolarHBondContact O-CB 3.4Å; V262-L266 PolarHBondContact O-N 3.1Å; L263-L266 PolarHBondContact O-N 2.85Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.41Å; L266-G270 VanDerWaalsContact O-CA 3.31Å; L266-G270 WeakPolarHBondContact O-CA 3.37Å; L266-G270 PolarHBondContact O-N 3.42Å; L266-T271 WeakPolarHBondContact CA-O 3.39Å; L266-T271 WeakPolarHBondContact CD1-O 3.4Å; L266-L272 HydrophobicContact CD1-CD2 4.42Å; L266-L272 HydrophobicContact CD1-CG 4.36Å; L266-L272 HydrophobicContact CD2-CD2 4.16Å
267	F	97.4	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.6	-39.6	177.7	-71	4.6	0	0	0	112.4	M161 L165 M171 A176 K179 I183 L205 L263 L264 Y265	M161-F267 HydrophobicContact CG-CE1 3.77Å; M161-F267 HydrophobicContact CG-CZ 3.79Å; M161-F267 HydrophobicContact SD-CE1 4.41Å; M161-F267 HydrophobicContact SD-CZ 4.14Å; L165-F267 HydrophobicContact CD1-CD1 4.02Å; L165-F267 HydrophobicContact CD1-CE1 4.08Å; L165-F267 HydrophobicContact CD2-CD1 4.17Å; M171-F267 HydrophobicContact CE-CB 3.94Å; M171-F267 HydrophobicContact CE-CD1 3.75Å; M171-F267 HydrophobicContact CE-CD2 3.8Å; M171-F267 HydrophobicContact CE-CE1 4.16Å; M171-F267 HydrophobicContact CE-CE2 4.21Å; M171-F267 HydrophobicContact CE-CG 3.55Å; M171-F267 HydrophobicContact CE-CZ 4.38Å; M171-F267 PolarHBondContact N-O 2.9Å; A176-F267 HydrophobicContact CB-CB 4.07Å; K179-F267 HydrophobicContact CB-CE2 4.18Å; I183-F267 HydrophobicContact CD1-CE2 3.6Å; I183-F267 HydrophobicContact CD1-CZ 3.76Å; L205-F267 HydrophobicContact CD1-CZ 4.08Å; L263-F267 HydrophobicContact CD2-CE1 4.32Å; L263-F267 VanDerWaalsContact O-CD1 3.28Å; L263-F267 WeakPolarHBondContact O-CD1 3.38Å; L263-F267 WeakPolarHBondContact O-CG 3.39Å; L263-F267 PolarHBondContact O-N 2.84Å; L264-F267 PolarHBondContact O-N 3.02Å; L264-F267 VanDerWaalsContact O-N 3.16Å; Y265-F267 PolarHBondContact O-N 2.98Å
268	I	97.3	Very high	94.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-81	-38.3	-176.3	-60	-55.6	0	0	0	113	R170 E173 A176 L264 Y265 F296 M297 W327	R170-I268 WeakPolarHBondContact CB-O 3.48Å; R170-I268 WeakPolarHBondContact CD-O 3.35Å; E173-I268 HydrophobicContact CB-CD1 4.33Å; E173-I268 HydrophobicContact CG-CD1 3.67Å; A176-I268 HydrophobicContact CB-CD1 3.32Å; A176-I268 HydrophobicContact CB-CG1 4.37Å; L264-I268 HydrophobicContact CD1-CG1 4.1Å; L264-I268 WeakPolarHBondContact O-CG1 3.48Å; L264-I268 PolarHBondContact O-N 3.29Å; L264-I268 VanDerWaalsContact O-N 3.12Å; Y265-I268 PolarHBondContact O-N 3.41Å; I268-F296 HydrophobicContact CG2-CE2 4.39Å; I268-F296 WeakPolarHBondContact O-CE2 3.31Å; I268-M297 HydrophobicContact CB-CE 3.89Å; I268-M297 HydrophobicContact CG2-CB 4.39Å; I268-M297 HydrophobicContact CG2-CE 3.57Å; I268-M297 HydrophobicContact CG2-CG 4.29Å; I268-W327 HydrophobicContact CD1-CZ2 4.44Å
269	S	95.6	Very high	94	Very high	16 Å²	16	24 Å²	24	11%	0.112	15%	0.151	C	C	.	.	H	α-helix	trans	-92.7	-28.3	-176.7	68	0	0	0	0	113.9	Y265 T271	Y265-S269 WeakPolarHBondContact CD1-OG 3.22Å; Y265-S269 WeakPolarHBondContact CE1-OG 3.48Å; Y265-S269 WeakPolarHBondContact O-CB 3.11Å; Y265-S269 PolarHBondContact O-N 2.98Å; Y265-S269 PolarHBondContact O-OG 3.37Å; S269-T271 VanDerWaalsContact C-N 3.28Å; S269-T271 PolarHBondContact OG-N 3.22Å; S269-T271 VanDerWaalsContact OG-N 3.09Å; S269-T271 PolarHBondContact OG-O 2.98Å; S269-T271 PolarHBondContact OG-OG1 2.96Å
270	G	94	Very high	93.6	Very high	30 Å²	30	32.4 Å²	32.4	31%	0.309	19%	0.187	S	C	.	.	S	Bend	trans	80.4	1.4	-168.6	0	0	0	0	0	114.3	L266	L266-G270 VanDerWaalsContact O-CA 3.31Å; L266-G270 WeakPolarHBondContact O-CA 3.37Å; L266-G270 PolarHBondContact O-N 3.42Å
271	T	93.4	Very high	93.3	Very high	74 Å²	74	35 Å²	35	45%	0.454	20%	0.199	S	C	.	.	S	Bend	trans	-132.1	162.8	177.8	58	0	0	0	0	111.3	Y265 L266 S269	Y265-T271 VanDerWaalsContact CD1-O 3.28Å; Y265-T271 WeakPolarHBondContact CD1-O 3.45Å; Y265-T271 VanDerWaalsContact CE1-O 3.31Å; Y265-T271 WeakPolarHBondContact CE1-O 3.47Å; L266-T271 WeakPolarHBondContact CA-O 3.39Å; L266-T271 WeakPolarHBondContact CD1-O 3.4Å; S269-T271 VanDerWaalsContact C-N 3.28Å; S269-T271 PolarHBondContact OG-N 3.22Å; S269-T271 VanDerWaalsContact OG-N 3.09Å; S269-T271 PolarHBondContact OG-O 2.98Å; S269-T271 PolarHBondContact OG-OG1 2.96Å
272	L	94.1	Very high	92.9	Very high	28 Å²	28	35.7 Å²	35.7	15%	0.147	20%	0.202	C	C	.	.			trans	-76	147	173.9	-73.3	164.1	0	0	0	110.2	P238 Y239 V262 L266 F274 E275	P238-L272 HydrophobicContact CB-CD1 3.8Å; P238-L272 HydrophobicContact CB-CD2 4.42Å; P238-L272 HydrophobicContact CG-CD1 4.13Å; Y239-L272 HydrophobicContact CE1-CD2 4.13Å; Y239-L272 HydrophobicContact CE2-CD2 4.49Å; V262-L272 HydrophobicContact CG1-CD2 3.73Å; L266-L272 HydrophobicContact CD1-CD2 4.42Å; L266-L272 HydrophobicContact CD1-CG 4.36Å; L266-L272 HydrophobicContact CD2-CD2 4.16Å; L272-F274 VanDerWaalsContact C-N 3.31Å; L272-E275 HydrophobicContact CB-CG 4.03Å; L272-E275 HydrophobicContact CD1-CG 4.15Å
273	P	95.8	Very high	92.5	Very high	11 Å²	11	39 Å²	39	7%	0.071	22%	0.218	C	C	.	.	S	Bend	trans	-66.8	-37.1	176.7	25.4	-29.1	0	0	0	111.2	V262 Y265 Y291	V262-P273 HydrophobicContact CB-CG 4.37Å; V262-P273 HydrophobicContact CG1-CG 4.13Å; V262-P273 HydrophobicContact CG2-CG 4.14Å; Y265-P273 HydrophobicContact CD1-CB 3.64Å; Y265-P273 VanDerWaalsContact CD1-CD 3.45Å; Y265-P273 HydrophobicContact CD1-CG 3.94Å; Y265-P273 HydrophobicContact CD2-CB 4.13Å; Y265-P273 VanDerWaalsContact CE1-CA 3.46Å; Y265-P273 HydrophobicContact CE1-CB 3.89Å; Y265-P273 HydrophobicContact CE2-CB 4.35Å; Y265-P273 HydrophobicContact CG-CB 3.78Å; Y265-P273 HydrophobicContact CG-CG 4.11Å; P273-Y291 HydrophobicContact CB-CD2 4.07Å; P273-Y291 HydrophobicContact CB-CG 4.06Å; P273-Y291 WeakPolarHBondContact O-CB 3.49Å
274	F	94.9	Very high	92.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-116	104.1	179.9	-43.9	-67	0	0	0	110.2	W258 V262 L272 L282 R285 I286 Y291 L309	W258-F274 HydrophobicContact CH2-CE2 4.04Å; W258-F274 HydrophobicContact CH2-CZ 4.01Å; W258-F274 HydrophobicContact CZ2-CD2 4.17Å; W258-F274 AromaticContact CZ2-CE2 3.37Å; W258-F274 HydrophobicContact CZ2-CE2 3.37Å; W258-F274 AromaticContact CZ2-CZ 3.81Å; W258-F274 HydrophobicContact CZ2-CZ 3.81Å; V262-F274 HydrophobicContact CG2-CD2 4.45Å; V262-F274 HydrophobicContact CG2-CE2 4.33Å; L272-F274 VanDerWaalsContact C-N 3.31Å; F274-L282 HydrophobicContact CB-CD1 3.88Å; F274-L282 VanDerWaalsContact O-CD1 3.29Å; F274-L282 WeakPolarHBondContact O-CD1 3.45Å; F274-R285 HydrophobicContact CD1-CB 4.29Å; F274-I286 HydrophobicContact CB-CD1 4.3Å; F274-I286 HydrophobicContact CB-CG1 3.67Å; F274-I286 HydrophobicContact CD1-CG1 4.27Å; F274-I286 HydrophobicContact CD2-CG1 3.72Å; F274-I286 HydrophobicContact CE2-CG1 4.48Å; F274-I286 HydrophobicContact CG-CG1 3.61Å; F274-Y291 AromaticContact CE1-CD1 3.87Å; F274-Y291 HydrophobicContact CE1-CD1 3.87Å; F274-Y291 HydrophobicContact CE1-CG 4.16Å; F274-Y291 AromaticContact CZ-CD1 3.95Å; F274-Y291 HydrophobicContact CZ-CD1 3.95Å; F274-Y291 HydrophobicContact CZ-CG 4.37Å; F274-L309 HydrophobicContact CE2-CD1 4.32Å; F274-L309 HydrophobicContact CE2-CD2 4.29Å; F274-L309 HydrophobicContact CZ-CD1 4.26Å
275	E	87.6	Confident	92.1	Very high	65 Å²	65	46.7 Å²	46.7	30%	0.304	25%	0.247	S	C	.	.			trans	-128.4	144.7	168.9	-97.2	-175	164.8	0	0	111	L272 R285 R1118	L272-E275 HydrophobicContact CB-CG 4.03Å; L272-E275 HydrophobicContact CD1-CG 4.15Å; E275-R285 WeakPolarHBondContact O-CD 3.31Å; E275-R285 PolarHBondContact O-NH1 3.34Å; E275-R1118 VanDerWaalsContact CD-NH1 3.32Å; E275-R1118 IonicContact OE1-CZ 3.58Å; E275-R1118 VanDerWaalsContact OE1-CZ 3.24Å; E275-R1118 IonicContact OE1-NH1 2.81Å; E275-R1118 PolarHBondContact OE1-NH1 3.18Å; E275-R1118 IonicContact OE1-NH2 3.06Å; E275-R1118 PolarHBondContact OE1-NH2 3.43Å; E275-R1118 IonicContact OE2-CZ 3.12Å; E275-R1118 IonicContact OE2-NH1 3.55Å; E275-R1118 IonicContact OE2-NH2 3.08Å
276	A	89	Confident	91.9	Very high	39 Å²	39	46 Å²	46	32%	0.322	24%	0.244	S	C	.	.			trans	-156.2	160.3	177.1	0	0	0	0	0	111.6	E281 L282	A276-E281 HydrophobicContact CB-CB 3.85Å; A276-E281 HydrophobicContact CB-CG 3.59Å; A276-L282 HydrophobicContact CB-CB 4.01Å
277	S	86	Confident	91.7	Very high	75 Å²	75	47.6 Å²	47.6	52%	0.524	25%	0.254	S	S	.	.	S	Bend	trans	-78.8	-17.3	175.2	55.7	0	0	0	0	114.2
278	T	87.6	Confident	91.5	Very high	76 Å²	76	53.4 Å²	53.4	47%	0.466	28%	0.282	S	S	.	.	S	Bend	trans	-134	151.3	177.6	74.4	0	0	0	0	110.7	K280 E281 L282	T278-K280 VanDerWaalsContact C-N 3.28Å; T278-K280 PolarHBondContact O-N 3.35Å; T278-E281 PolarHBondContact O-N 2.88Å; T278-E281 PolarHBondContact OG1-N 2.81Å; T278-L282 PolarHBondContact O-N 2.81Å
279	L	81.3	Confident	91.3	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.277	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-26.6	178.1	-72.9	170.3	0	0	0	113.7	P237 L282 H283 Y1025	P237-L279 HydrophobicContact CB-CD2 3.96Å; P237-L279 HydrophobicContact CG-CD2 4.22Å; L279-L282 HydrophobicContact CD2-CD2 4.06Å; L279-L282 PolarHBondContact O-N 3.13Å; L279-H283 VanDerWaalsContact O-CB 3.25Å; L279-H283 WeakPolarHBondContact O-CB 3.37Å; L279-H283 PolarHBondContact O-N 3.3Å; L279-Y1025 HydrophobicContact CD1-CD1 3.7Å; L279-Y1025 HydrophobicContact CD1-CG 4.01Å; L279-Y1025 WeakPolarHBondContact CD1-O 3.44Å; L279-Y1025 HydrophobicContact CD2-CD1 4.02Å; L279-Y1025 HydrophobicContact CD2-CE1 4.26Å; L279-Y1025 HydrophobicContact CG-CD1 4.44Å
280	K	87.4	Confident	91.2	Very high	183 Å²	183	56.9 Å²	56.9	80%	0.796	30%	0.301	S	S	*	.	H	α-helix	trans	-66	-42.6	174.8	-171.7	-173.1	176.8	-169.1	0	111	T278 R284	T278-K280 VanDerWaalsContact C-N 3.28Å; T278-K280 PolarHBondContact O-N 3.35Å; K280-R284 PolarHBondContact O-N 3.03Å
281	E	91.2	Very high	91.2	Very high	55 Å²	55	57.4 Å²	57.4	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-73.4	-34.2	175.8	174.8	61.5	-173.5	0	0	111.8	A276 T278 R284 R285	A276-E281 HydrophobicContact CB-CB 3.85Å; A276-E281 HydrophobicContact CB-CG 3.59Å; T278-E281 PolarHBondContact O-N 2.88Å; T278-E281 PolarHBondContact OG1-N 2.81Å; E281-R284 PolarHBondContact O-N 3.35Å; E281-R284 IonicContact OE1-CZ 3.42Å; E281-R284 IonicContact OE1-NE 2.83Å; E281-R284 IonicContact OE1-NH2 2.69Å; E281-R284 PolarHBondContact OE1-NH2 3.1Å; E281-R284 IonicContact OE2-CZ 3.02Å; E281-R284 IonicContact OE2-NE 3.88Å; E281-R284 PolarHBondContact OE2-NE 3.25Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R285 WeakPolarHBondContact O-CG 3.28Å; E281-R285 PolarHBondContact O-N 2.93Å; E281-R285 IonicContact OE1-CZ 3.83Å; E281-R285 IonicContact OE1-NE 3.03Å; E281-R285 PolarHBondContact OE1-NE 2.98Å; E281-R285 IonicContact OE1-NH2 2.68Å; E281-R285 PolarHBondContact OE1-NH2 3.27Å; E281-R285 VanDerWaalsContact OE1-NH2 3.15Å
282	L	89.7	Confident	91.2	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-46.5	172	-174.6	61.8	0	0	0	111.4	P237 P238 F274 A276 T278 L279 R285 I286	P237-L282 HydrophobicContact CB-CD2 3.84Å; P238-L282 HydrophobicContact CG-CD2 4.4Å; F274-L282 HydrophobicContact CB-CD1 3.88Å; F274-L282 VanDerWaalsContact O-CD1 3.29Å; F274-L282 WeakPolarHBondContact O-CD1 3.45Å; A276-L282 HydrophobicContact CB-CB 4.01Å; T278-L282 PolarHBondContact O-N 2.81Å; L279-L282 HydrophobicContact CD2-CD2 4.06Å; L279-L282 PolarHBondContact O-N 3.13Å; L282-R285 PolarHBondContact O-N 3.45Å; L282-I286 HydrophobicContact CD1-CD1 4.03Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CG1 3.26Å; L282-I286 PolarHBondContact O-N 3.31Å
283	H	90	Very high	91.2	Very high	70 Å²	70	65.4 Å²	65.4	32%	0.324	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.7	177.4	-132	0	0	0	111.8	N246 L279 T287	N246-H283 PolarHBondContact OD1-NE2 3.12Å; L279-H283 VanDerWaalsContact O-CB 3.25Å; L279-H283 WeakPolarHBondContact O-CB 3.37Å; L279-H283 PolarHBondContact O-N 3.3Å; H283-T287 PolarHBondContact CD2-OG1 2.71Å; H283-T287 PolarHBondContact NE2-OG1 3.08Å; H283-T287 VanDerWaalsContact O-CB 3.28Å; H283-T287 WeakPolarHBondContact O-CB 2.98Å; H283-T287 PolarHBondContact O-N 3.48Å; H283-T287 PolarHBondContact O-OG1 2.95Å
284	R	93.8	Very high	91.1	Very high	80 Å²	80	65.8 Å²	65.8	30%	0.302	32%	0.32	S	S	.	.	H	α-helix	trans	-55.1	-53.1	170.2	-173.1	-164.7	65.9	76	-1.4	110.8	K280 E281 I286 T287 Q288 D290	K280-R284 PolarHBondContact O-N 3.03Å; E281-R284 PolarHBondContact O-N 3.35Å; E281-R284 IonicContact OE1-CZ 3.42Å; E281-R284 IonicContact OE1-NE 2.83Å; E281-R284 IonicContact OE1-NH2 2.69Å; E281-R284 PolarHBondContact OE1-NH2 3.1Å; E281-R284 IonicContact OE2-CZ 3.02Å; E281-R284 IonicContact OE2-NE 3.88Å; E281-R284 PolarHBondContact OE2-NE 3.25Å; E281-R284 IonicContact OE2-NH2 3.5Å; R284-I286 PolarHBondContact O-N 3.31Å; R284-T287 PolarHBondContact O-N 2.92Å; R284-Q288 HydrophobicContact CG-CG 4.45Å; R284-Q288 WeakPolarHBondContact O-CB 3.42Å; R284-Q288 WeakPolarHBondContact O-CG 3.37Å; R284-Q288 PolarHBondContact O-N 2.95Å; R284-D290 IonicContact CZ-OD2 2.7Å; R284-D290 VanDerWaalsContact CZ-OD2 3.25Å; R284-D290 IonicContact NH1-OD2 2.74Å; R284-D290 PolarHBondContact NH1-OD2 2.87Å; R284-D290 IonicContact NH2-OD2 2.98Å; R284-D290 PolarHBondContact NH2-OD2 2.74Å
285	R	94.6	Very high	91.1	Very high	82 Å²	82	76.4 Å²	76.4	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-44.2	-176.6	-72.6	174.2	-176.6	-131.3	-22.1	112.9	F274 E275 E281 L282 C289 D290	F274-R285 HydrophobicContact CD1-CB 4.29Å; E275-R285 WeakPolarHBondContact O-CD 3.31Å; E275-R285 PolarHBondContact O-NH1 3.34Å; E281-R285 WeakPolarHBondContact O-CG 3.28Å; E281-R285 PolarHBondContact O-N 2.93Å; E281-R285 IonicContact OE1-CZ 3.83Å; E281-R285 IonicContact OE1-NE 3.03Å; E281-R285 PolarHBondContact OE1-NE 2.98Å; E281-R285 IonicContact OE1-NH2 2.68Å; E281-R285 PolarHBondContact OE1-NH2 3.27Å; E281-R285 VanDerWaalsContact OE1-NH2 3.15Å; L282-R285 PolarHBondContact O-N 3.45Å; R285-C289 CarbonylContact O-C 3.51Å; R285-C289 WeakPolarHBondContact O-CA 3.49Å; R285-C289 PolarHBondContact O-N 3.31Å; R285-D290 HydrophobicContact CB-CB 4.21Å; R285-D290 HydrophobicContact CG-CB 4.17Å; R285-D290 PolarHBondContact O-N 3.47Å
286	I	93.8	Very high	91.4	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-48.2	177.1	-71.7	169.9	0	0	0	110.9	P242 L245 W258 F274 L282 R284 Q288 C289	P242-I286 HydrophobicContact CB-CG2 4.36Å; P242-I286 HydrophobicContact CG-CG2 3.84Å; L245-I286 HydrophobicContact CD1-CB 3.95Å; L245-I286 HydrophobicContact CD1-CD1 3.65Å; L245-I286 HydrophobicContact CD1-CG1 4.39Å; L245-I286 HydrophobicContact CD1-CG2 3.6Å; W258-I286 HydrophobicContact CH2-CG2 4.39Å; W258-I286 HydrophobicContact CZ2-CG2 3.76Å; F274-I286 HydrophobicContact CB-CD1 4.3Å; F274-I286 HydrophobicContact CB-CG1 3.67Å; F274-I286 HydrophobicContact CD1-CG1 4.27Å; F274-I286 HydrophobicContact CD2-CG1 3.72Å; F274-I286 HydrophobicContact CE2-CG1 4.48Å; F274-I286 HydrophobicContact CG-CG1 3.61Å; L282-I286 HydrophobicContact CD1-CD1 4.03Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CG1 3.26Å; L282-I286 PolarHBondContact O-N 3.31Å; R284-I286 PolarHBondContact O-N 3.31Å; I286-Q288 VanDerWaalsContact C-N 3.26Å; I286-Q288 PolarHBondContact O-N 3.02Å; I286-C289 PolarHBondContact O-N 3.35Å; I286-C289 VanDerWaalsContact O-N 3.15Å
287	T	91.7	Very high	91.8	Very high	47 Å²	47	75.4 Å²	75.4	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-22.6	-177.1	-46.7	0	0	0	0	113	H283 R284	H283-T287 PolarHBondContact CD2-OG1 2.71Å; H283-T287 PolarHBondContact NE2-OG1 3.08Å; H283-T287 VanDerWaalsContact O-CB 3.28Å; H283-T287 WeakPolarHBondContact O-CB 2.98Å; H283-T287 PolarHBondContact O-N 3.48Å; H283-T287 PolarHBondContact O-OG1 2.95Å; R284-T287 PolarHBondContact O-N 2.92Å
288	Q	93.1	Very high	92.3	Very high	122 Å²	122	73.8 Å²	73.8	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.5	175.8	-64.7	-175.6	-38.2	0	0	113.4	R284 I286 D290	R284-Q288 HydrophobicContact CG-CG 4.45Å; R284-Q288 WeakPolarHBondContact O-CB 3.42Å; R284-Q288 WeakPolarHBondContact O-CG 3.37Å; R284-Q288 PolarHBondContact O-N 2.95Å; I286-Q288 VanDerWaalsContact C-N 3.26Å; I286-Q288 PolarHBondContact O-N 3.02Å; Q288-D290 PolarHBondContact O-N 2.97Å
289	C	92.9	Very high	92.8	Very high	29 Å²	29	75.6 Å²	75.6	20%	0.196	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	44.6	-169.6	-143.5	0	0	0	0	113.5	R285 I286 Y291 L309 I311	R285-C289 CarbonylContact O-C 3.51Å; R285-C289 WeakPolarHBondContact O-CA 3.49Å; R285-C289 PolarHBondContact O-N 3.31Å; I286-C289 PolarHBondContact O-N 3.35Å; I286-C289 VanDerWaalsContact O-N 3.15Å; C289-Y291 WeakPolarHBondContact O-CD1 3.25Å; C289-Y291 PolarHBondContact O-N 3.05Å; C289-Y291 VanDerWaalsContact SG-CE1 3.51Å; C289-L309 PolarHBondContact SG-O 3.32Å; C289-I311 HydrophobicContact CB-CD1 3.92Å; C289-I311 HydrophobicContact CB-CG1 3.92Å
290	D	92.5	Very high	93.6	Very high	62 Å²	62	78.4 Å²	78.4	33%	0.332	36%	0.359	S	S	.	.			trans	-80.6	78.9	-178.9	-177.1	7	0	0	0	110.5	R284 R285 Q288	R284-D290 IonicContact CZ-OD2 2.7Å; R284-D290 VanDerWaalsContact CZ-OD2 3.25Å; R284-D290 IonicContact NH1-OD2 2.74Å; R284-D290 PolarHBondContact NH1-OD2 2.87Å; R284-D290 IonicContact NH2-OD2 2.98Å; R284-D290 PolarHBondContact NH2-OD2 2.74Å; R285-D290 HydrophobicContact CB-CB 4.21Å; R285-D290 HydrophobicContact CG-CB 4.17Å; R285-D290 PolarHBondContact O-N 3.47Å; Q288-D290 PolarHBondContact O-N 2.97Å
291	Y	94.6	Very high	94.1	Very high	41 Å²	41	69.7 Å²	69.7	16%	0.161	32%	0.321	C	S	.	.			trans	-129.8	165.3	171.7	76.6	-73.4	0	0	0	111.2	Y265 P273 F274 C289 I293 I305 L309	Y265-Y291 AromaticContact CD2-CD2 3.91Å; Y265-Y291 HydrophobicContact CD2-CD2 3.91Å; Y265-Y291 HydrophobicContact CD2-CE2 4.12Å; Y265-Y291 AromaticContact CE2-CD2 3.76Å; Y265-Y291 HydrophobicContact CE2-CD2 3.76Å; Y265-Y291 HydrophobicContact CE2-CE2 4.28Å; P273-Y291 HydrophobicContact CB-CD2 4.07Å; P273-Y291 HydrophobicContact CB-CG 4.06Å; P273-Y291 WeakPolarHBondContact O-CB 3.49Å; F274-Y291 AromaticContact CE1-CD1 3.87Å; F274-Y291 HydrophobicContact CE1-CD1 3.87Å; F274-Y291 HydrophobicContact CE1-CG 4.16Å; F274-Y291 AromaticContact CZ-CD1 3.95Å; F274-Y291 HydrophobicContact CZ-CD1 3.95Å; F274-Y291 HydrophobicContact CZ-CG 4.37Å; C289-Y291 WeakPolarHBondContact O-CD1 3.25Å; C289-Y291 PolarHBondContact O-N 3.05Å; C289-Y291 VanDerWaalsContact SG-CE1 3.51Å; Y291-I293 HydrophobicContact CD2-CD1 4.22Å; Y291-I293 HydrophobicContact CE2-CD1 3.48Å; Y291-I293 VanDerWaalsContact CE2-CD1 3.48Å; Y291-I305 HydrophobicContact CE2-CG2 4.04Å; Y291-L309 HydrophobicContact CD1-CD1 4.48Å; Y291-L309 HydrophobicContact CE1-CB 4.48Å; Y291-L309 HydrophobicContact CE1-CD1 4.08Å; Y291-L309 HydrophobicContact CE2-CD1 4.1Å
292	R	93.4	Very high	94.4	Very high	209 Å²	209	69.1 Å²	69.1	79%	0.789	32%	0.319	S	S	*	.			trans	-117.3	135.1	-176.4	-65.9	-177.6	178	-173	-3.2	111.2	Y265 P294	Y265-R292 WeakPolarHBondContact CE2-O 3.35Å; Y265-R292 PolarHBondContact OH-O 2.98Å; Y265-R292 VanDerWaalsContact OH-O 3.08Å; R292-P294 WeakPolarHBondContact O-CD 3.26Å
293	I	94.2	Very high	94.8	Very high	61 Å²	61	73.3 Å²	73.3	31%	0.313	34%	0.341	S	S	.	.			trans	-77.9	124.5	172	-52.9	-53.2	0	0	0	109.3	Y291 M297 E302	Y291-I293 HydrophobicContact CD2-CD1 4.22Å; Y291-I293 HydrophobicContact CE2-CD1 3.48Å; Y291-I293 VanDerWaalsContact CE2-CD1 3.48Å; I293-M297 HydrophobicContact CG2-CB 4.26Å; I293-M297 HydrophobicContact CG2-CG 4.49Å; I293-M297 HydrophobicContact CG2-SD 3.99Å; I293-E302 HydrophobicContact CD1-CG 3.9Å; I293-E302 HydrophobicContact CG1-CG 3.95Å; I293-E302 HydrophobicContact CG2-CB 4.32Å; I293-E302 HydrophobicContact CG2-CG 4.09Å
294	P	93.5	Very high	95.2	Very high	19 Å²	19	70 Å²	70	12%	0.123	33%	0.325	C	S	.	.			trans	-71.5	139.4	173.7	-15.6	30.3	0	0	0	111.3	Y265 R292 F296 M297	Y265-P294 HydrophobicContact CE2-CG 4.49Å; R292-P294 WeakPolarHBondContact O-CD 3.26Å; P294-F296 HydrophobicContact CB-CD1 4.08Å; P294-F296 HydrophobicContact CB-CD2 4.12Å; P294-F296 HydrophobicContact CB-CE1 3.65Å; P294-F296 HydrophobicContact CB-CE2 3.66Å; P294-F296 HydrophobicContact CB-CG 4.31Å; P294-F296 HydrophobicContact CB-CZ 3.42Å; P294-F296 VanDerWaalsContact CB-CZ 3.42Å; P294-F296 HydrophobicContact CG-CE2 4.2Å; P294-F296 HydrophobicContact CG-CZ 4.06Å; P294-F296 PolarHBondContact O-N 3.47Å; P294-M297 HydrophobicContact CG-CE 4.35Å; P294-M297 VanDerWaalsContact O-CB 3.27Å; P294-M297 WeakPolarHBondContact O-CB 3.13Å; P294-M297 PolarHBondContact O-N 2.96Å
295	Y	94.4	Very high	95.4	Very high	223 Å²	223	66.1 Å²	66.1	88%	0.875	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-17	-177.8	71.1	-93.1	0	0	0	115.3
296	F	94.3	Very high	95.5	Very high	69 Å²	69	67.1 Å²	67.1	30%	0.303	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.7	178.9	56.5	-107.4	0	0	0	113.6	I268 P294	I268-F296 HydrophobicContact CG2-CE2 4.39Å; I268-F296 WeakPolarHBondContact O-CE2 3.31Å; P294-F296 HydrophobicContact CB-CD1 4.08Å; P294-F296 HydrophobicContact CB-CD2 4.12Å; P294-F296 HydrophobicContact CB-CE1 3.65Å; P294-F296 HydrophobicContact CB-CE2 3.66Å; P294-F296 HydrophobicContact CB-CG 4.31Å; P294-F296 HydrophobicContact CB-CZ 3.42Å; P294-F296 VanDerWaalsContact CB-CZ 3.42Å; P294-F296 HydrophobicContact CG-CE2 4.2Å; P294-F296 HydrophobicContact CG-CZ 4.06Å; P294-F296 PolarHBondContact O-N 3.47Å
297	M	97	Very high	95.7	Very high	15 Å²	15	69.9 Å²	69.9	7%	0.074	33%	0.328	C	S	.	.	S	Bend	trans	-85.6	130.1	174.1	-177.1	176.5	-78	0	0	109	Y265 I268 I293 P294 C301 E302 I305	Y265-M297 HydrophobicContact CD2-CE 4.17Å; I268-M297 HydrophobicContact CB-CE 3.89Å; I268-M297 HydrophobicContact CG2-CB 4.39Å; I268-M297 HydrophobicContact CG2-CE 3.57Å; I268-M297 HydrophobicContact CG2-CG 4.29Å; I293-M297 HydrophobicContact CG2-CB 4.26Å; I293-M297 HydrophobicContact CG2-CG 4.49Å; I293-M297 HydrophobicContact CG2-SD 3.99Å; P294-M297 HydrophobicContact CG-CE 4.35Å; P294-M297 VanDerWaalsContact O-CB 3.27Å; P294-M297 WeakPolarHBondContact O-CB 3.13Å; P294-M297 PolarHBondContact O-N 2.96Å; M297-C301 HydrophobicContact CG-CB 3.77Å; M297-E302 HydrophobicContact SD-CB 4.4Å; M297-I305 HydrophobicContact CE-CD1 3.48Å; M297-I305 VanDerWaalsContact CE-CD1 3.48Å; M297-I305 HydrophobicContact SD-CD1 3.69Å
298	S	97.8	Very high	96	Very high	41 Å²	41	67.6 Å²	67.6	29%	0.287	31%	0.314	S	S	.	.			trans	-69.4	149.5	177.8	73.8	0	0	0	0	111.3	E173 K300 C301 E302	E173-S298 VanDerWaalsContact CD-OG 3.3Å; E173-S298 WeakPolarHBondContact OE1-CB 3.34Å; E173-S298 PolarHBondContact OE1-N 3.24Å; E173-S298 PolarHBondContact OE1-OG 2.75Å; E173-S298 VanDerWaalsContact OE1-OG 3.1Å; E173-S298 PolarHBondContact OE2-OG 2.65Å; S298-K300 PolarHBondContact O-N 3.16Å; S298-K300 VanDerWaalsContact O-N 3.13Å; S298-C301 WeakPolarHBondContact O-CA 3.45Å; S298-C301 WeakPolarHBondContact O-CB 3.28Å; S298-C301 PolarHBondContact O-N 2.97Å; S298-C301 WeakPolarHBondContact OG-CB 3.35Å; S298-C301 PolarHBondContact OG-N 2.87Å; S298-E302 PolarHBondContact O-N 3.48Å
299	T	97.6	Very high	96.2	Very high	113 Å²	113	62 Å²	62	69%	0.693	29%	0.288	S	S	*	.	H	α-helix	trans	-57.3	-29.9	177.1	-41.5	0	0	0	0	112.5	L303	T299-L303 WeakPolarHBondContact O-CB 3.47Å; T299-L303 PolarHBondContact O-N 2.78Å
300	K	97.9	Very high	96.4	Very high	112 Å²	112	63.9 Å²	63.9	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-41	172.8	-69	-173.7	176.8	-176.6	0	111.8	S298 I304 W327 I330	S298-K300 PolarHBondContact O-N 3.16Å; S298-K300 VanDerWaalsContact O-N 3.13Å; K300-I304 PolarHBondContact O-N 3.12Å; K300-W327 HydrophobicContact CB-CB 4.11Å; K300-W327 HydrophobicContact CB-CG 4.39Å; K300-I330 HydrophobicContact CD-CD1 3.81Å
301	C	98.3	Very high	96.5	Very high	0 Å²	0	64 Å²	64	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.9	-40.3	175.5	-165.9	0	0	0	0	112.1	E173 M297 S298 L303 I304 I305 W327	E173-C301 WeakPolarHBondContact OE1-CB 3.47Å; M297-C301 HydrophobicContact CG-CB 3.77Å; S298-C301 WeakPolarHBondContact O-CA 3.45Å; S298-C301 WeakPolarHBondContact O-CB 3.28Å; S298-C301 PolarHBondContact O-N 2.97Å; S298-C301 WeakPolarHBondContact OG-CB 3.35Å; S298-C301 PolarHBondContact OG-N 2.87Å; C301-L303 PolarHBondContact O-N 3.42Å; C301-I304 WeakPolarHBondContact O-CG2 3.43Å; C301-I305 VanDerWaalsContact O-CG1 3.28Å; C301-I305 WeakPolarHBondContact O-CG1 3.31Å; C301-I305 PolarHBondContact O-N 3.18Å; C301-I305 VanDerWaalsContact O-N 3.12Å; C301-W327 HydrophobicContact CB-CG 4.41Å
302	E	97.7	Very high	96.4	Very high	43 Å²	43	64.3 Å²	64.3	20%	0.201	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-46.4	173.3	178.7	-175.6	175.6	0	0	111.6	I293 M297 S298 I305 K306	I293-E302 HydrophobicContact CD1-CG 3.9Å; I293-E302 HydrophobicContact CG1-CG 3.95Å; I293-E302 HydrophobicContact CG2-CB 4.32Å; I293-E302 HydrophobicContact CG2-CG 4.09Å; M297-E302 HydrophobicContact SD-CB 4.4Å; S298-E302 PolarHBondContact O-N 3.48Å; E302-I305 PolarHBondContact O-N 3.31Å; E302-K306 HydrophobicContact CG-CD 4.27Å; E302-K306 WeakPolarHBondContact O-CG 3.32Å; E302-K306 PolarHBondContact O-N 2.79Å; E302-K306 WeakPolarHBondContact OE1-CE 3.25Å; E302-K306 IonicContact OE1-NZ 2.61Å; E302-K306 PolarHBondContact OE1-NZ 2.92Å
303	L	97.7	Very high	96.4	Very high	101 Å²	101	56.4 Å²	56.4	53%	0.529	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-48.6	-177.9	-177.2	62.8	0	0	0	112.2	T299 C301 I305 K306 R307	T299-L303 WeakPolarHBondContact O-CB 3.47Å; T299-L303 PolarHBondContact O-N 2.78Å; C301-L303 PolarHBondContact O-N 3.42Å; L303-I305 VanDerWaalsContact C-N 3.35Å; L303-I305 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 3.42Å; L303-R307 WeakPolarHBondContact O-CG 3.28Å; L303-R307 PolarHBondContact O-N 3.41Å
304	I	98.3	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-33.2	179.2	-163.7	-176.9	0	0	0	112.2	L264 K300 C301 R307 M308 L322 D325 W327 I328	L264-I304 HydrophobicContact CD2-CG2 3.85Å; K300-I304 PolarHBondContact O-N 3.12Å; C301-I304 WeakPolarHBondContact O-CG2 3.43Å; I304-R307 PolarHBondContact O-N 3.03Å; I304-M308 HydrophobicContact CG1-CE 4.26Å; I304-M308 WeakPolarHBondContact O-CE 3.28Å; I304-M308 PolarHBondContact O-N 3.5Å; I304-L322 HydrophobicContact CD1-CD2 4.16Å; I304-L322 HydrophobicContact CG1-CD2 3.65Å; I304-D325 HydrophobicContact CD1-CB 3.69Å; I304-D325 HydrophobicContact CG1-CB 4.21Å; I304-W327 HydrophobicContact CD1-CE3 4.43Å; I304-W327 HydrophobicContact CG2-CB 4.11Å; I304-W327 HydrophobicContact CG2-CD2 4.21Å; I304-W327 HydrophobicContact CG2-CE3 4.07Å; I304-W327 HydrophobicContact CG2-CG 4.23Å; I304-I328 HydrophobicContact CD1-CD1 3.86Å; I304-I328 HydrophobicContact CD1-CG1 3.44Å; I304-I328 VanDerWaalsContact CD1-CG1 3.44Å
305	I	98.2	Very high	96.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-43.3	172.1	-70.3	168.7	0	0	0	110.5	L264 Y291 M297 C301 E302 L303 R307 M308 L309	L264-I305 HydrophobicContact CB-CG1 4.29Å; L264-I305 HydrophobicContact CD2-CD1 4.37Å; L264-I305 HydrophobicContact CD2-CG1 3.75Å; L264-I305 HydrophobicContact CG-CD1 4.1Å; L264-I305 HydrophobicContact CG-CG1 3.9Å; Y291-I305 HydrophobicContact CE2-CG2 4.04Å; M297-I305 HydrophobicContact CE-CD1 3.48Å; M297-I305 VanDerWaalsContact CE-CD1 3.48Å; M297-I305 HydrophobicContact SD-CD1 3.69Å; C301-I305 VanDerWaalsContact O-CG1 3.28Å; C301-I305 WeakPolarHBondContact O-CG1 3.31Å; C301-I305 PolarHBondContact O-N 3.18Å; C301-I305 VanDerWaalsContact O-N 3.12Å; E302-I305 PolarHBondContact O-N 3.31Å; L303-I305 VanDerWaalsContact C-N 3.35Å; L303-I305 PolarHBondContact O-N 3.44Å; I305-R307 PolarHBondContact O-N 3.17Å; I305-M308 PolarHBondContact O-N 3.42Å; I305-M308 VanDerWaalsContact O-N 3.17Å; I305-L309 HydrophobicContact CG2-CD1 3.69Å; I305-L309 HydrophobicContact CG2-CG 4.19Å; I305-L309 WeakPolarHBondContact O-CB 3.48Å; I305-L309 PolarHBondContact O-N 3.2Å
306	K	97.3	Very high	96.4	Very high	102 Å²	102	56.8 Å²	56.8	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-41.3	175.6	-75.4	177.2	-179.9	174.2	0	112.5	E302 L303 M308 L309 E310	E302-K306 HydrophobicContact CG-CD 4.27Å; E302-K306 WeakPolarHBondContact O-CG 3.32Å; E302-K306 PolarHBondContact O-N 2.79Å; E302-K306 WeakPolarHBondContact OE1-CE 3.25Å; E302-K306 IonicContact OE1-NZ 2.61Å; E302-K306 PolarHBondContact OE1-NZ 2.92Å; L303-K306 PolarHBondContact O-N 3.42Å; K306-M308 PolarHBondContact O-N 3.37Å; K306-L309 CarbonylContact O-C 3.52Å; K306-L309 PolarHBondContact O-N 3.34Å; K306-E310 PolarHBondContact O-N 3.44Å
307	R	97.7	Very high	96.4	Very high	58 Å²	58	54.1 Å²	54.1	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-27.6	175.4	-69.8	176.1	66.8	-161.9	1.8	113.6	L303 I304 I305 S317 E321 L322 D325	L303-R307 WeakPolarHBondContact O-CG 3.28Å; L303-R307 PolarHBondContact O-N 3.41Å; I304-R307 PolarHBondContact O-N 3.03Å; I305-R307 PolarHBondContact O-N 3.17Å; R307-S317 PolarHBondContact NE-OG 3.48Å; R307-S317 VanDerWaalsContact NE-OG 3.09Å; R307-S317 PolarHBondContact NH2-OG 3.14Å; R307-S317 PolarHBondContact O-N 3.49Å; R307-E321 PolarHBondContact NH1-O 3.31Å; R307-E321 VanDerWaalsContact NH1-O 3.11Å; R307-E321 PolarHBondContact NH2-O 3.28Å; R307-E321 IonicContact NH2-OE2 2.59Å; R307-E321 PolarHBondContact NH2-OE2 2.71Å; R307-L322 HydrophobicContact CB-CD2 4.13Å; R307-D325 IonicContact CZ-OD2 3.28Å; R307-D325 IonicContact NH1-OD2 3.61Å; R307-D325 PolarHBondContact NH1-OD2 2.94Å
308	M	98.2	Very high	96.2	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-92.9	-32.5	177.5	-67.2	-173.4	-74.8	0	0	113.8	F180 V257 L260 L264 I304 I305 K306 E310 R316 L322	F180-M308 HydrophobicContact CE1-CE 4.05Å; F180-M308 HydrophobicContact CE1-SD 4.2Å; F180-M308 HydrophobicContact CZ-CE 3.77Å; F180-M308 HydrophobicContact CZ-SD 3.78Å; V257-M308 HydrophobicContact CG1-CB 4.09Å; V257-M308 HydrophobicContact CG1-CG 3.89Å; L260-M308 HydrophobicContact CB-SD 3.93Å; L264-M308 HydrophobicContact CB-CE 4.15Å; L264-M308 HydrophobicContact CD2-CE 3.65Å; I304-M308 HydrophobicContact CG1-CE 4.26Å; I304-M308 WeakPolarHBondContact O-CE 3.28Å; I304-M308 PolarHBondContact O-N 3.5Å; I305-M308 PolarHBondContact O-N 3.42Å; I305-M308 VanDerWaalsContact O-N 3.17Å; K306-M308 PolarHBondContact O-N 3.37Å; M308-E310 VanDerWaalsContact C-N 3.3Å; M308-E310 PolarHBondContact O-N 2.97Å; M308-R316 WeakPolarHBondContact O-CD 3.47Å; M308-R316 WeakPolarHBondContact O-CG 3.31Å; M308-L322 HydrophobicContact CG-CD1 3.7Å; M308-L322 HydrophobicContact CG-CD2 3.98Å; M308-L322 HydrophobicContact SD-CD1 4.17Å
309	L	97.4	Very high	96.2	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-93.9	26.5	178.1	-61.9	-176	0	0	0	113	W258 V262 F274 C289 Y291 I305 K306	W258-L309 HydrophobicContact CD2-CD2 3.9Å; W258-L309 HydrophobicContact CE3-CD2 4.09Å; W258-L309 HydrophobicContact CG-CD2 4.38Å; W258-L309 HydrophobicContact CH2-CD2 4.4Å; W258-L309 HydrophobicContact CZ2-CD2 4.21Å; W258-L309 HydrophobicContact CZ3-CB 4.26Å; W258-L309 HydrophobicContact CZ3-CD2 4.35Å; W258-L309 WeakPolarHBondContact CZ3-O 3.44Å; V262-L309 HydrophobicContact CG2-CD2 3.89Å; F274-L309 HydrophobicContact CE2-CD1 4.32Å; F274-L309 HydrophobicContact CE2-CD2 4.29Å; F274-L309 HydrophobicContact CZ-CD1 4.26Å; C289-L309 PolarHBondContact SG-O 3.32Å; Y291-L309 HydrophobicContact CD1-CD1 4.48Å; Y291-L309 HydrophobicContact CE1-CB 4.48Å; Y291-L309 HydrophobicContact CE1-CD1 4.08Å; Y291-L309 HydrophobicContact CE2-CD1 4.1Å; I305-L309 HydrophobicContact CG2-CD1 3.69Å; I305-L309 HydrophobicContact CG2-CG 4.19Å; I305-L309 WeakPolarHBondContact O-CB 3.48Å; I305-L309 PolarHBondContact O-N 3.2Å; K306-L309 CarbonylContact O-C 3.52Å; K306-L309 PolarHBondContact O-N 3.34Å
310	E	96.5	Very high	96	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	26%	0.258	S	S	.	.			trans	-68.3	132.1	168.6	177.5	48.4	-107.2	0	0	109.8	K306 M308 D312 K315 R316	K306-E310 PolarHBondContact O-N 3.44Å; M308-E310 VanDerWaalsContact C-N 3.3Å; M308-E310 PolarHBondContact O-N 2.97Å; E310-D312 HydrophobicContact CG-CB 4.48Å; E310-D312 PolarHBondContact OE1-N 3.23Å; E310-K315 HydrophobicContact CG-CB 3.68Å; E310-R316 HydrophobicContact CB-CB 4.22Å; E310-R316 HydrophobicContact CB-CG 4.31Å; E310-R316 PolarHBondContact O-NE 2.69Å; E310-R316 PolarHBondContact O-NH2 2.62Å
311	I	94.7	Very high	96	Very high	66 Å²	66	51.9 Å²	51.9	34%	0.338	26%	0.256	S	S	.	.	S	Bend	trans	-69.7	-43.4	-176.2	-58.6	170.6	0	0	0	109.4	P242 C289 P313 R316	P242-I311 HydrophobicContact CB-CG2 4.38Å; P242-I311 HydrophobicContact CG-CG2 4.25Å; C289-I311 HydrophobicContact CB-CD1 3.92Å; C289-I311 HydrophobicContact CB-CG1 3.92Å; I311-P313 VanDerWaalsContact O-CD 3.32Å; I311-P313 WeakPolarHBondContact O-CD 3.07Å; I311-R316 PolarHBondContact O-NH2 3.09Å
312	D	92.7	Very high	95.9	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	26%	0.256	S	S	.	.	S	Bend	trans	-75.7	111.4	178.7	-176	-17.8	0	0	0	110.7	E310 I314 K315 R316	E310-D312 HydrophobicContact CG-CB 4.48Å; E310-D312 PolarHBondContact OE1-N 3.23Å; D312-I314 PolarHBondContact O-N 2.77Å; D312-I314 VanDerWaalsContact O-N 3.09Å; D312-I314 WeakPolarHBondContact OD1-CB 3.5Å; D312-I314 PolarHBondContact OD1-N 3.46Å; D312-K315 HydrophobicContact CB-CB 4.17Å; D312-K315 HydrophobicContact CB-CD 4.27Å; D312-K315 HydrophobicContact CB-CG 4.08Å; D312-K315 PolarHBondContact O-N 2.89Å; D312-K315 IonicContact OD2-NZ 2.64Å; D312-K315 PolarHBondContact OD2-NZ 3.3Å; D312-R316 PolarHBondContact O-N 3.01Å; D312-R316 VanDerWaalsContact O-N 3.17Å
313	P	92.6	Very high	96	Very high	43 Å²	43	50 Å²	50	28%	0.279	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	-177.3	27.8	-35.2	0	0	0	113.2	E254 I311	E254-P313 HydrophobicContact CB-CB 4.09Å; E254-P313 HydrophobicContact CG-CB 4.45Å; I311-P313 VanDerWaalsContact O-CD 3.32Å; I311-P313 WeakPolarHBondContact O-CD 3.07Å
314	I	91.4	Very high	95.9	Very high	156 Å²	156	52.7 Å²	52.7	80%	0.8	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-25.6	176.7	-53.4	177	0	0	0	111.2	D312	D312-I314 PolarHBondContact O-N 2.77Å; D312-I314 VanDerWaalsContact O-N 3.09Å; D312-I314 WeakPolarHBondContact OD1-CB 3.5Å; D312-I314 PolarHBondContact OD1-N 3.46Å
315	K	94.8	Very high	95.9	Very high	141 Å²	141	52.9 Å²	52.9	61%	0.613	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.9	176.5	-63.3	-170.2	-171.2	84	0	113.7	E310 D312 S317	E310-K315 HydrophobicContact CG-CB 3.68Å; D312-K315 HydrophobicContact CB-CB 4.17Å; D312-K315 HydrophobicContact CB-CD 4.27Å; D312-K315 HydrophobicContact CB-CG 4.08Å; D312-K315 PolarHBondContact O-N 2.89Å; D312-K315 IonicContact OD2-NZ 2.64Å; D312-K315 PolarHBondContact OD2-NZ 3.3Å; K315-S317 PolarHBondContact O-N 3.33Å
316	R	96.4	Very high	95.9	Very high	13 Å²	13	56.9 Å²	56.9	5%	0.049	28%	0.284	C	S	.	.	S	Bend	trans	-68.7	123	-179.7	-160	-179.5	-62.9	148.9	5.5	109.5	E243 E254 V257 M308 E310 I311 D312	E243-R316 IonicContact OE1-CZ 3.31Å; E243-R316 IonicContact OE1-NH1 2.72Å; E243-R316 PolarHBondContact OE1-NH1 2.9Å; E243-R316 IonicContact OE1-NH2 2.7Å; E243-R316 PolarHBondContact OE1-NH2 3Å; E243-R316 IonicContact OE2-CZ 3.82Å; E243-R316 IonicContact OE2-NH1 3.51Å; E243-R316 IonicContact OE2-NH2 3.84Å; E243-R316 PolarHBondContact OE2-NH2 2.92Å; E254-R316 WeakPolarHBondContact O-CD 3.49Å; E254-R316 PolarHBondContact O-NH1 3.18Å; V257-R316 HydrophobicContact CB-CG 4.35Å; V257-R316 HydrophobicContact CG1-CG 3.83Å; M308-R316 WeakPolarHBondContact O-CD 3.47Å; M308-R316 WeakPolarHBondContact O-CG 3.31Å; E310-R316 HydrophobicContact CB-CB 4.22Å; E310-R316 HydrophobicContact CB-CG 4.31Å; E310-R316 PolarHBondContact O-NE 2.69Å; E310-R316 PolarHBondContact O-NH2 2.62Å; I311-R316 PolarHBondContact O-NH2 3.09Å; D312-R316 PolarHBondContact O-N 3.01Å; D312-R316 VanDerWaalsContact O-N 3.17Å
317	S	94.9	Very high	95.9	Very high	14 Å²	14	52 Å²	52	10%	0.098	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-59.5	141.7	-174.3	-86.6	0	0	0	0	112.6	R307 K315 E321	R307-S317 PolarHBondContact NE-OG 3.48Å; R307-S317 VanDerWaalsContact NE-OG 3.09Å; R307-S317 PolarHBondContact NH2-OG 3.14Å; R307-S317 PolarHBondContact O-N 3.49Å; K315-S317 PolarHBondContact O-N 3.33Å; S317-E321 WeakPolarHBondContact CB-OE2 3.22Å; S317-E321 PolarHBondContact OG-OE2 3.29Å
318	C	93.4	Very high	96	Very high	54 Å²	54	49.3 Å²	49.3	37%	0.365	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-71.3	165.5	173.8	74.8	0	0	0	0	111.6	E320 E321 L322	C318-E320 VanDerWaalsContact C-N 3.31Å; C318-E320 PolarHBondContact O-N 3.19Å; C318-E321 PolarHBondContact O-N 3.32Å; C318-E321 VanDerWaalsContact SG-CG 3.56Å; C318-L322 WeakPolarHBondContact O-CG 3.45Å; C318-L322 PolarHBondContact O-N 2.68Å
319	L	96.3	Very high	96	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-34.1	-175	-61.6	-176.1	0	0	0	112.5	L184 V187 Q188 H191 V257 L260 L322 M323	L184-L319 HydrophobicContact CD1-CB 4.24Å; L184-L319 HydrophobicContact CD1-CD2 3.71Å; L184-L319 HydrophobicContact CD1-CG 4.45Å; V187-L319 HydrophobicContact CB-CD1 4.33Å; V187-L319 HydrophobicContact CG1-CD1 3.87Å; Q188-L319 HydrophobicContact CB-CB 4.03Å; Q188-L319 HydrophobicContact CB-CD1 3.89Å; Q188-L319 HydrophobicContact CG-CB 3.98Å; Q188-L319 HydrophobicContact CG-CD1 4.47Å; H191-L319 HydrophobicContact CB-CD1 4.46Å; H191-L319 WeakPolarHBondContact ND1-CD1 3.43Å; V257-L319 HydrophobicContact CG2-CD2 3.72Å; V257-L319 HydrophobicContact CG2-CG 4.29Å; L260-L319 HydrophobicContact CD1-CD2 3.66Å; L319-L322 HydrophobicContact CD2-CD1 4.32Å; L319-L322 CarbonylContact O-C 3.43Å; L319-L322 PolarHBondContact O-N 2.83Å; L319-M323 VanDerWaalsContact O-CG 3.25Å; L319-M323 WeakPolarHBondContact O-CG 3.18Å; L319-M323 PolarHBondContact O-N 2.73Å
320	E	94.8	Very high	96	Very high	82 Å²	82	52.6 Å²	52.6	38%	0.383	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-51.2	176.2	-71.3	70	-163.9	0	0	111.5	Q188 C318 L322 M323 E324	Q188-E320 WeakPolarHBondContact CG-OE1 3.44Å; Q188-E320 PolarHBondContact NE2-OE1 2.86Å; C318-E320 VanDerWaalsContact C-N 3.31Å; C318-E320 PolarHBondContact O-N 3.19Å; E320-L322 PolarHBondContact O-N 2.99Å; E320-M323 PolarHBondContact O-N 2.83Å; E320-M323 VanDerWaalsContact O-N 3.1Å; E320-E324 PolarHBondContact O-N 3.47Å
321	E	96.3	Very high	96	Very high	94 Å²	94	52.1 Å²	52.1	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-20.8	175.5	-63.9	170.6	-167.1	0	0	113.7	R307 S317 C318	R307-E321 PolarHBondContact NH1-O 3.31Å; R307-E321 VanDerWaalsContact NH1-O 3.11Å; R307-E321 PolarHBondContact NH2-O 3.28Å; R307-E321 IonicContact NH2-OE2 2.59Å; R307-E321 PolarHBondContact NH2-OE2 2.71Å; S317-E321 WeakPolarHBondContact CB-OE2 3.22Å; S317-E321 PolarHBondContact OG-OE2 3.29Å; C318-E321 PolarHBondContact O-N 3.32Å; C318-E321 VanDerWaalsContact SG-CG 3.56Å
322	L	97.8	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-84.4	-31.6	174.9	-68.7	166.6	0	0	0	111	L184 V257 I304 R307 M308 C318 L319 E320 E324 D325 I328	L184-L322 HydrophobicContact CD1-CB 4.45Å; L184-L322 HydrophobicContact CD2-CB 4.3Å; V257-L322 HydrophobicContact CG1-CD1 3.93Å; I304-L322 HydrophobicContact CD1-CD2 4.16Å; I304-L322 HydrophobicContact CG1-CD2 3.65Å; R307-L322 HydrophobicContact CB-CD2 4.13Å; M308-L322 HydrophobicContact CG-CD1 3.7Å; M308-L322 HydrophobicContact CG-CD2 3.98Å; M308-L322 HydrophobicContact SD-CD1 4.17Å; C318-L322 WeakPolarHBondContact O-CG 3.45Å; C318-L322 PolarHBondContact O-N 2.68Å; L319-L322 HydrophobicContact CD2-CD1 4.32Å; L319-L322 CarbonylContact O-C 3.43Å; L319-L322 PolarHBondContact O-N 2.83Å; E320-L322 PolarHBondContact O-N 2.99Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 3.11Å; L322-D325 VanDerWaalsContact O-CB 3.23Å; L322-D325 WeakPolarHBondContact O-CB 3.24Å; L322-D325 PolarHBondContact O-N 2.99Å; L322-I328 WeakPolarHBondContact O-CG1 3.49Å
323	M	98.2	Very high	96.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-32.3	174.4	-70	172.7	89.5	0	0	111.8	L184 Q188 L319 E320 D325 N329 L337 R338 P339	L184-M323 HydrophobicContact CD1-CG 4.48Å; L184-M323 HydrophobicContact CD2-CB 4.48Å; L184-M323 HydrophobicContact CD2-CG 3.76Å; L184-M323 HydrophobicContact CG-CG 3.73Å; Q188-M323 HydrophobicContact CB-SD 3.9Å; Q188-M323 HydrophobicContact CG-SD 3.68Å; L319-M323 VanDerWaalsContact O-CG 3.25Å; L319-M323 WeakPolarHBondContact O-CG 3.18Å; L319-M323 PolarHBondContact O-N 2.73Å; E320-M323 PolarHBondContact O-N 2.83Å; E320-M323 VanDerWaalsContact O-N 3.1Å; M323-D325 VanDerWaalsContact C-N 3.34Å; M323-N329 PolarHBondContact O-ND2 2.81Å; M323-L337 HydrophobicContact CB-CB 4.4Å; M323-L337 HydrophobicContact CB-CD2 4.22Å; M323-L337 HydrophobicContact CB-CG 4.33Å; M323-L337 HydrophobicContact CE-CD1 4.46Å; M323-L337 HydrophobicContact CE-CD2 4.07Å; M323-L337 HydrophobicContact CE-CG 3.72Å; M323-L337 HydrophobicContact CG-CD2 3.88Å; M323-L337 HydrophobicContact CG-CG 4.25Å; M323-R338 WeakPolarHBondContact CE-O 3.29Å; M323-P339 HydrophobicContact SD-CG 4.33Å
324	E	97.2	Very high	96.4	Very high	158 Å²	158	62.5 Å²	62.5	74%	0.738	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.4	175	-64.2	-176.7	177	0	0	113.8	E320 L322	E320-E324 PolarHBondContact O-N 3.47Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 3.11Å
325	D	98	Very high	96.6	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.027	31%	0.305	C	S	.	.			trans	-57.9	136.9	-173.2	-172.4	-77.8	0	0	0	112.7	I304 R307 L322 M323 W327 I328 N329	I304-D325 HydrophobicContact CD1-CB 3.69Å; I304-D325 HydrophobicContact CG1-CB 4.21Å; R307-D325 IonicContact CZ-OD2 3.28Å; R307-D325 IonicContact NH1-OD2 3.61Å; R307-D325 PolarHBondContact NH1-OD2 2.94Å; L322-D325 VanDerWaalsContact O-CB 3.23Å; L322-D325 WeakPolarHBondContact O-CB 3.24Å; L322-D325 PolarHBondContact O-N 2.99Å; M323-D325 VanDerWaalsContact C-N 3.34Å; D325-W327 PolarHBondContact O-N 3Å; D325-W327 VanDerWaalsContact O-N 3.12Å; D325-W327 VanDerWaalsContact OD1-CB 3.29Å; D325-W327 WeakPolarHBondContact OD1-CB 3.41Å; D325-W327 PolarHBondContact OD1-N 2.87Å; D325-I328 HydrophobicContact CB-CB 4.46Å; D325-I328 HydrophobicContact CB-CG1 4.17Å; D325-I328 PolarHBondContact O-N 3.17Å; D325-N329 PolarHBondContact O-N 3.28Å; D325-N329 PolarHBondContact O-ND2 3.17Å; D325-N329 VanDerWaalsContact O-ND2 3.09Å
326	P	97.2	Very high	96.7	Very high	84 Å²	84	55.1 Å²	55.1	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.6	179.5	-28.1	35.8	0	0	0	114.6	I330	P326-I330 WeakPolarHBondContact O-CG1 3.36Å
327	W	98.2	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.9	175.3	-172.8	82.7	0	0	0	112.8	E173 A176 R177 F180 L264 I268 K300 C301 I304 D325 N329	E173-W327 HydrophobicContact CB-CZ2 4.09Å; E173-W327 HydrophobicContact CG-CZ2 4.16Å; E173-W327 PolarHBondContact OE2-NE1 3.1Å; A176-W327 HydrophobicContact CB-CH2 4.48Å; R177-W327 HydrophobicContact CB-CH2 3.72Å; R177-W327 HydrophobicContact CB-CZ2 4.08Å; R177-W327 HydrophobicContact CB-CZ3 4.13Å; R177-W327 VanDerWaalsContact CD-O 3.32Å; R177-W327 WeakPolarHBondContact CD-O 3.41Å; R177-W327 HydrophobicContact CG-CH2 4.45Å; R177-W327 HydrophobicContact CG-CZ3 4.4Å; R177-W327 PolarHBondContact NE-O 2.84Å; R177-W327 VanDerWaalsContact NH2-NE1 3.19Å; F180-W327 HydrophobicContact CD1-CZ3 4.45Å; L264-W327 HydrophobicContact CD1-CH2 3.5Å; L264-W327 HydrophobicContact CD1-CZ2 4.34Å; L264-W327 HydrophobicContact CD1-CZ3 3.78Å; L264-W327 HydrophobicContact CD2-CE3 4.29Å; L264-W327 HydrophobicContact CD2-CH2 4.35Å; L264-W327 HydrophobicContact CD2-CZ3 3.91Å; I268-W327 HydrophobicContact CD1-CZ2 4.44Å; K300-W327 HydrophobicContact CB-CB 4.11Å; K300-W327 HydrophobicContact CB-CG 4.39Å; C301-W327 HydrophobicContact CB-CG 4.41Å; I304-W327 HydrophobicContact CD1-CE3 4.43Å; I304-W327 HydrophobicContact CG2-CB 4.11Å; I304-W327 HydrophobicContact CG2-CD2 4.21Å; I304-W327 HydrophobicContact CG2-CE3 4.07Å; I304-W327 HydrophobicContact CG2-CG 4.23Å; D325-W327 PolarHBondContact O-N 3Å; D325-W327 VanDerWaalsContact O-N 3.12Å; D325-W327 VanDerWaalsContact OD1-CB 3.29Å; D325-W327 WeakPolarHBondContact OD1-CB 3.41Å; D325-W327 PolarHBondContact OD1-N 2.87Å; W327-N329 PolarHBondContact O-N 3.42Å
328	I	98.4	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.7	-179.9	-70.3	-68.2	0	0	0	112	F180 R181 L184 I304 L322 D325 L337	F180-I328 HydrophobicContact CD1-CD1 3.62Å; F180-I328 HydrophobicContact CE1-CD1 4.14Å; R181-I328 WeakPolarHBondContact CD-O 3.3Å; R181-I328 HydrophobicContact CG-CG2 3.95Å; R181-I328 PolarHBondContact NH1-O 2.91Å; L184-I328 HydrophobicContact CD2-CD1 4.08Å; L184-I328 HydrophobicContact CD2-CG1 4.29Å; I304-I328 HydrophobicContact CD1-CD1 3.86Å; I304-I328 HydrophobicContact CD1-CG1 3.44Å; I304-I328 VanDerWaalsContact CD1-CG1 3.44Å; L322-I328 WeakPolarHBondContact O-CG1 3.49Å; D325-I328 HydrophobicContact CB-CB 4.46Å; D325-I328 HydrophobicContact CB-CG1 4.17Å; D325-I328 PolarHBondContact O-N 3.17Å; I328-L337 HydrophobicContact CG2-CB 3.9Å; I328-L337 HydrophobicContact CG2-CD2 3.7Å; I328-L337 HydrophobicContact CG2-CG 4.46Å
329	N	98.3	Very high	97	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.102	32%	0.318	C	S	.	.	S	Bend	trans	-108.5	2.9	-170.2	-62.8	-62.8	0	0	0	115.1	R181 M323 D325 W327 G331 Y332 P336 L337	R181-N329 PolarHBondContact NH1-OD1 3.27Å; M323-N329 PolarHBondContact O-ND2 2.81Å; D325-N329 PolarHBondContact O-N 3.28Å; D325-N329 PolarHBondContact O-ND2 3.17Å; D325-N329 VanDerWaalsContact O-ND2 3.09Å; W327-N329 PolarHBondContact O-N 3.42Å; N329-G331 PolarHBondContact O-N 3.16Å; N329-Y332 CarbonylContact O-C 3.49Å; N329-Y332 WeakPolarHBondContact O-CA 3.48Å; N329-Y332 PolarHBondContact O-N 3.48Å; N329-P336 WeakPolarHBondContact OD1-CA 3.49Å; N329-L337 PolarHBondContact OD1-N 3.01Å
330	I	97.8	Very high	97.1	Very high	55 Å²	55	64.1 Å²	64.1	28%	0.282	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	119.6	173.3	-43.8	-178	0	0	0	110.6	R177 K300 P326 Y332 E333	R177-I330 WeakPolarHBondContact CD-O 3.43Å; R177-I330 PolarHBondContact NH1-O 3.26Å; K300-I330 HydrophobicContact CD-CD1 3.81Å; P326-I330 WeakPolarHBondContact O-CG1 3.36Å; I330-Y332 VanDerWaalsContact C-N 3.34Å; I330-Y332 WeakPolarHBondContact O-CD2 3.23Å; I330-E333 WeakPolarHBondContact CA-OE1 3.45Å
331	G	97.2	Very high	97.1	Very high	57 Å²	57	66.9 Å²	66.9	59%	0.588	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	12.7	-173.3	0	0	0	0	0	113.8	N329 E333	N329-G331 PolarHBondContact O-N 3.16Å; G331-E333 VanDerWaalsContact C-OE2 3.24Å; G331-E333 WeakPolarHBondContact CA-OE2 3.44Å; G331-E333 VanDerWaalsContact N-CD 3.33Å; G331-E333 PolarHBondContact N-OE1 3.03Å; G331-E333 PolarHBondContact N-OE2 3.18Å; G331-E333 VanDerWaalsContact N-OE2 3.09Å
332	Y	97.4	Very high	96.9	Very high	65 Å²	65	64.9 Å²	64.9	26%	0.255	33%	0.333	S	S	.	.			trans	-136.6	27.4	178.4	-62.9	-91.7	0	0	0	111.2	R177 R181 N329 I330 H334 D335 P336	R177-Y332 HydrophobicContact CG-CE2 4.4Å; R181-Y332 VanDerWaalsContact CZ-CD1 3.48Å; N329-Y332 CarbonylContact O-C 3.49Å; N329-Y332 WeakPolarHBondContact O-CA 3.48Å; N329-Y332 PolarHBondContact O-N 3.48Å; I330-Y332 VanDerWaalsContact C-N 3.34Å; I330-Y332 WeakPolarHBondContact O-CD2 3.23Å; Y332-H334 PolarHBondContact O-N 2.7Å; Y332-H334 VanDerWaalsContact O-N 3.14Å; Y332-D335 CarbonylContact O-C 3.17Å; Y332-D335 PolarHBondContact O-N 3.31Å; Y332-P336 VanDerWaalsContact O-N 3.16Å
333	E	95.4	Very high	96.5	Very high	120 Å²	120	68.6 Å²	68.6	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.8	-173.9	-66.5	74	-166.3	0	0	112.8	I330 G331	I330-E333 WeakPolarHBondContact CA-OE1 3.45Å; G331-E333 VanDerWaalsContact C-OE2 3.24Å; G331-E333 WeakPolarHBondContact CA-OE2 3.44Å; G331-E333 VanDerWaalsContact N-CD 3.33Å; G331-E333 PolarHBondContact N-OE1 3.03Å; G331-E333 PolarHBondContact N-OE2 3.18Å; G331-E333 VanDerWaalsContact N-OE2 3.09Å
334	H	95.3	Very high	95.7	Very high	190 Å²	190	79.8 Å²	79.8	88%	0.88	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.3	175.3	-54.9	-46.3	0	0	0	114	Y332	Y332-H334 PolarHBondContact O-N 2.7Å; Y332-H334 VanDerWaalsContact O-N 3.14Å
335	D	95.6	Very high	94.9	Very high	84 Å²	84	74.6 Å²	74.6	45%	0.449	38%	0.375	S	S	.	.	S	Bend	trans	-136.7	67	173.6	-176.6	46.2	0	0	0	110.6	R181 Y332 R338	R181-D335 PolarHBondContact NH2-O 2.82Å; Y332-D335 CarbonylContact O-C 3.17Å; Y332-D335 PolarHBondContact O-N 3.31Å; D335-R338 IonicContact OD1-CZ 3.51Å; D335-R338 IonicContact OD1-NE 3.7Å; D335-R338 IonicContact OD1-NH2 2.74Å; D335-R338 PolarHBondContact OD1-NH2 3.44Å
336	P	96.8	Very high	94	Very high	57 Å²	57	79.6 Å²	79.6	37%	0.37	40%	0.402	S	S	.	.			trans	-60.9	144.6	178.1	25.3	-34.3	0	0	0	110.7	N329 Y332 R338	N329-P336 WeakPolarHBondContact OD1-CA 3.49Å; Y332-P336 VanDerWaalsContact O-N 3.16Å; P336-R338 WeakPolarHBondContact O-CG 3.38Å; P336-R338 PolarHBondContact O-N 3.43Å; P336-R338 PolarHBondContact O-NE 2.9Å
337	L	97.9	Very high	93.4	Very high	25 Å²	25	78 Å²	78	13%	0.131	39%	0.385	C	S	.	.			trans	-67	130.3	-175	-168.7	67.7	0	0	0	110.3	R181 L184 M323 I328 N329	R181-L337 HydrophobicContact CB-CD1 4.14Å; R181-L337 HydrophobicContact CB-CD2 4.16Å; R181-L337 HydrophobicContact CG-CD1 4.47Å; R181-L337 HydrophobicContact CG-CD2 4.16Å; L184-L337 HydrophobicContact CB-CD2 4.25Å; L184-L337 HydrophobicContact CD2-CD2 3.9Å; L184-L337 HydrophobicContact CG-CD2 4.22Å; M323-L337 HydrophobicContact CB-CB 4.4Å; M323-L337 HydrophobicContact CB-CD2 4.22Å; M323-L337 HydrophobicContact CB-CG 4.33Å; M323-L337 HydrophobicContact CE-CD1 4.46Å; M323-L337 HydrophobicContact CE-CD2 4.07Å; M323-L337 HydrophobicContact CE-CG 3.72Å; M323-L337 HydrophobicContact CG-CD2 3.88Å; M323-L337 HydrophobicContact CG-CG 4.25Å; I328-L337 HydrophobicContact CG2-CB 3.9Å; I328-L337 HydrophobicContact CG2-CD2 3.7Å; I328-L337 HydrophobicContact CG2-CG 4.46Å; N329-L337 PolarHBondContact OD1-N 3.01Å
338	R	96.7	Very high	92.8	Very high	143 Å²	143	83.1 Å²	83.1	54%	0.54	41%	0.413	S	S	.	.			trans	-141.8	145.1	-169.9	45.4	-165.5	150.7	-161.6	-3.6	111.8	M323 D335 P336 Y340	M323-R338 WeakPolarHBondContact CE-O 3.29Å; D335-R338 IonicContact OD1-CZ 3.51Å; D335-R338 IonicContact OD1-NE 3.7Å; D335-R338 IonicContact OD1-NH2 2.74Å; D335-R338 PolarHBondContact OD1-NH2 3.44Å; P336-R338 WeakPolarHBondContact O-CG 3.38Å; P336-R338 PolarHBondContact O-N 3.43Å; P336-R338 PolarHBondContact O-NE 2.9Å; R338-Y340 PolarHBondContact O-N 3.43Å; R338-Y340 VanDerWaalsContact O-N 3.12Å
339	P	96.8	Very high	92.4	Very high	55 Å²	55	84.8 Å²	84.8	36%	0.357	42%	0.422	S	S	.	.			trans	-49.5	113.9	-176.3	-34.4	39	0	0	0	114.3	M323 I341	M323-P339 HydrophobicContact SD-CG 4.33Å; P339-I341 PolarHBondContact O-N 3.12Å
340	Y	97.5	Very high	92.1	Very high	51 Å²	51	88.5 Å²	88.5	20%	0.2	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-54.9	130.1	-175.4	171.9	-96.6	0	0	0	112.2	H133 P134 Y189 R192 R338 E342 P343	H133-Y340 HydrophobicContact CB-CE1 4.33Å; H133-Y340 AromaticContact CD2-CD1 3.39Å; H133-Y340 WeakPolarHBondContact CD2-CD1 3.27Å; H133-Y340 AromaticContact CD2-CE1 3.87Å; H133-Y340 AromaticContact CD2-CG 3.49Å; H133-Y340 VanDerWaalsContact CD2-CG 3.49Å; H133-Y340 AromaticContact NE2-CG 3.81Å; P134-Y340 VanDerWaalsContact CD-CE2 3.47Å; P134-Y340 VanDerWaalsContact CD-CZ 3.46Å; P134-Y340 WeakPolarHBondContact CD-OH 3.4Å; P134-Y340 HydrophobicContact CG-CE2 3.99Å; Y189-Y340 AromaticContact CD2-CD1 3.61Å; Y189-Y340 HydrophobicContact CD2-CD1 3.61Å; Y189-Y340 HydrophobicContact CD2-CE1 4.23Å; Y189-Y340 AromaticContact CE2-CD1 3.94Å; Y189-Y340 HydrophobicContact CE2-CD1 3.94Å; Y189-Y340 HydrophobicContact CE2-CE1 4.1Å; Y189-Y340 HydrophobicContact CG-CD1 4.28Å; R192-Y340 VanDerWaalsContact CZ-O 3.27Å; R192-Y340 PolarHBondContact NH1-O 3.46Å; R192-Y340 PolarHBondContact NH2-O 3.39Å; R338-Y340 PolarHBondContact O-N 3.43Å; R338-Y340 VanDerWaalsContact O-N 3.12Å; Y340-E342 HydrophobicContact CE1-CB 4.18Å; Y340-P343 VanDerWaalsContact OH-CD 3.24Å; Y340-P343 WeakPolarHBondContact OH-CD 3.5Å
341	I	95.2	Very high	91.7	Very high	141 Å²	141	90.4 Å²	90.4	72%	0.723	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-99.4	122.7	175.6	-58.8	178.5	0	0	0	108	P339 P343	P339-I341 PolarHBondContact O-N 3.12Å; I341-P343 WeakPolarHBondContact O-CD 3.33Å
342	E	92.6	Very high	91.5	Very high	51 Å²	51	89.9 Å²	89.9	24%	0.238	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-72.5	122.5	-179.4	-172.2	178.5	152.6	0	0	110.8	N132 Y189 K193 Y340	N132-E342 HydrophobicContact CB-CG 4.31Å; N132-E342 WeakPolarHBondContact CB-OE1 3.3Å; N132-E342 WeakPolarHBondContact ND2-CG 3.43Å; N132-E342 PolarHBondContact ND2-OE1 2.93Å; Y189-E342 HydrophobicContact CE2-CB 4.22Å; Y189-E342 PolarHBondContact OH-OE2 2.59Å; K193-E342 WeakPolarHBondContact CE-OE2 3.39Å; K193-E342 IonicContact NZ-OE2 3.36Å; K193-E342 PolarHBondContact NZ-OE2 2.82Å; Y340-E342 HydrophobicContact CE1-CB 4.18Å
343	P	88.2	Confident	91.3	Very high	78 Å²	78	88.7 Å²	88.7	51%	0.506	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-67.3	146.1	173.8	29.6	-34	0	0	0	110	Y340 I341 E345	Y340-P343 VanDerWaalsContact OH-CD 3.24Å; Y340-P343 WeakPolarHBondContact OH-CD 3.5Å; I341-P343 WeakPolarHBondContact O-CD 3.33Å; P343-E345 PolarHBondContact O-N 3.18Å
344	R	83.1	Confident	91.2	Very high	238 Å²	238	85.4 Å²	85.4	90%	0.898	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-61.2	137.6	172.5	-63.9	-177.6	-179	-178.2	0.9	109.2	N346	R344-N346 PolarHBondContact O-N 3.33Å
345	E	79.9	Confident	91	Very high	48 Å²	48	77 Å²	77	22%	0.224	39%	0.389	C	S	.	.			trans	-59.8	103.2	175.8	-75.5	175.6	108.2	0	0	109.8	P343 F370 R373 R379	P343-E345 PolarHBondContact O-N 3.18Å; E345-F370 HydrophobicContact CB-CD1 4.5Å; E345-R373 IonicContact OE2-CZ 3.8Å; E345-R373 IonicContact OE2-NE 3.57Å; E345-R373 PolarHBondContact OE2-NE 3.03Å; E345-R373 IonicContact OE2-NH2 3.78Å; E345-R373 PolarHBondContact OE2-NH2 3.36Å; E345-R373 VanDerWaalsContact OE2-NH2 3.08Å; E345-R379 IonicContact OE1-CZ 3.9Å; E345-R379 IonicContact OE1-NE 3.37Å; E345-R379 PolarHBondContact OE1-NE 3.42Å; E345-R379 IonicContact OE1-NH2 3.03Å; E345-R379 PolarHBondContact OE1-NH2 2.8Å
346	N	78.1	Confident	90.9	Very high	110 Å²	110	73 Å²	73	59%	0.588	37%	0.368	S	S	*	.			trans	-93.7	110.7	180	-176.1	9.5	0	0	0	110.3	R344 N348 Y382	R344-N346 PolarHBondContact O-N 3.33Å; N346-N348 VanDerWaalsContact OD1-CB 3.31Å; N346-N348 WeakPolarHBondContact OD1-CB 3.43Å; N346-N348 PolarHBondContact OD1-N 2.86Å; N346-Y382 PolarHBondContact O-OH 3.38Å; N346-Y382 VanDerWaalsContact O-OH 3.14Å
347	Y	85.1	Confident	90.8	Very high	50 Å²	50	73.4 Å²	73.4	20%	0.196	37%	0.367	C	S	.	.			trans	-99.3	9.8	176.6	61.5	-96.2	0	0	0	114.1	D349 I353 R367 F370 D371 Y382	Y347-D349 PolarHBondContact O-N 2.93Å; Y347-I353 WeakPolarHBondContact O-CD1 3.48Å; Y347-R367 HydrophobicContact CE2-CB 4.3Å; Y347-R367 HydrophobicContact CE2-CG 4.19Å; Y347-R367 VanDerWaalsContact OH-CG 3.28Å; Y347-R367 WeakPolarHBondContact OH-CG 3.45Å; Y347-F370 VanDerWaalsContact CB-CD2 3.4Å; Y347-F370 HydrophobicContact CD1-CB 3.22Å; Y347-F370 HydrophobicContact CD1-CD1 4.35Å; Y347-F370 HydrophobicContact CD1-CD2 4.07Å; Y347-F370 AromaticContact CD1-CG 3.64Å; Y347-F370 HydrophobicContact CD1-CG 3.64Å; Y347-F370 HydrophobicContact CE1-CB 3.5Å; Y347-F370 HydrophobicContact CE1-CG 4.4Å; Y347-F370 HydrophobicContact CG-CB 3.84Å; Y347-F370 AromaticContact CG-CD2 3.8Å; Y347-F370 HydrophobicContact CG-CD2 3.8Å; Y347-F370 AromaticContact CG-CG 3.87Å; Y347-F370 HydrophobicContact CG-CG 3.87Å; Y347-D371 PolarHBondContact OH-OD1 2.94Å; Y347-Y382 VanDerWaalsContact CA-OH 3.22Å; Y347-Y382 WeakPolarHBondContact CA-OH 3.45Å; Y347-Y382 PolarHBondContact O-OH 3.42Å
348	N	86.5	Confident	90.5	Very high	109 Å²	109	78.7 Å²	78.7	58%	0.583	39%	0.389	S	S	*	.			trans	-94.7	24	-174.3	-57	-20	0	0	0	114	N346 P350	N346-N348 VanDerWaalsContact OD1-CB 3.31Å; N346-N348 WeakPolarHBondContact OD1-CB 3.43Å; N346-N348 PolarHBondContact OD1-N 2.86Å; N348-P350 VanDerWaalsContact O-CD 3.3Å; N348-P350 WeakPolarHBondContact O-CD 3.43Å
349	D	89.5	Confident	90.2	Very high	34 Å²	34	73.9 Å²	73.9	18%	0.182	37%	0.374	C	S	.	.			trans	-71.1	112.7	173.1	179.3	-41	0	0	0	108.9	Y347 I351 R352 I353 Y382	Y347-D349 PolarHBondContact O-N 2.93Å; D349-I351 VanDerWaalsContact C-N 3.27Å; D349-I351 PolarHBondContact O-N 3.37Å; D349-I351 WeakPolarHBondContact OD1-CB 3.23Å; D349-I351 PolarHBondContact OD1-N 3.04Å; D349-R352 HydrophobicContact CB-CB 4.04Å; D349-R352 HydrophobicContact CB-CG 4.24Å; D349-R352 VanDerWaalsContact CG-NE 3.34Å; D349-R352 PolarHBondContact O-N 3.19Å; D349-R352 PolarHBondContact OD1-N 3.09Å; D349-R352 IonicContact OD2-CZ 2.78Å; D349-R352 VanDerWaalsContact OD2-CZ 3.28Å; D349-R352 IonicContact OD2-NE 2.76Å; D349-R352 PolarHBondContact OD2-NE 2.74Å; D349-R352 IonicContact OD2-NH2 3.43Å; D349-R352 PolarHBondContact OD2-NH2 3Å; D349-I353 WeakPolarHBondContact O-CB 3.29Å; D349-I353 VanDerWaalsContact O-CG1 3.29Å; D349-I353 WeakPolarHBondContact O-CG1 3.41Å; D349-I353 PolarHBondContact O-N 3.19Å; D349-Y382 VanDerWaalsContact CB-OH 3.23Å; D349-Y382 WeakPolarHBondContact CB-OH 3.31Å; D349-Y382 PolarHBondContact N-OH 2.84Å
350	P	90.8	Very high	90	Very high	98 Å²	98	74.2 Å²	74.2	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-68.4	-28	-171.9	28.1	-34.7	0	0	0	112.4	N348 A354	N348-P350 VanDerWaalsContact O-CD 3.3Å; N348-P350 WeakPolarHBondContact O-CD 3.43Å; P350-A354 VanDerWaalsContact O-CB 3.29Å; P350-A354 WeakPolarHBondContact O-CB 3.34Å; P350-A354 PolarHBondContact O-N 3.28Å
351	I	90.7	Very high	89.9	Confident	95 Å²	95	73 Å²	73	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-72.3	-45.6	178.4	-55.8	176.1	0	0	0	109	D349 A354 L355 Q391	D349-I351 VanDerWaalsContact C-N 3.27Å; D349-I351 PolarHBondContact O-N 3.37Å; D349-I351 WeakPolarHBondContact OD1-CB 3.23Å; D349-I351 PolarHBondContact OD1-N 3.04Å; I351-A354 PolarHBondContact O-N 3.2Å; I351-L355 HydrophobicContact CG2-CD1 4.15Å; I351-L355 WeakPolarHBondContact O-CB 3.33Å; I351-L355 WeakPolarHBondContact O-CG 3.34Å; I351-L355 PolarHBondContact O-N 3.36Å; I351-Q391 HydrophobicContact CG2-CG 4.47Å
352	R	92.9	Very high	89.8	Confident	46 Å²	46	68.4 Å²	68.4	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-40	174.3	-70.1	-174.9	-116.4	-166.1	-5.8	112.4	D349 L355 M356 Y382 L385	D349-R352 HydrophobicContact CB-CB 4.04Å; D349-R352 HydrophobicContact CB-CG 4.24Å; D349-R352 VanDerWaalsContact CG-NE 3.34Å; D349-R352 PolarHBondContact O-N 3.19Å; D349-R352 PolarHBondContact OD1-N 3.09Å; D349-R352 IonicContact OD2-CZ 2.78Å; D349-R352 VanDerWaalsContact OD2-CZ 3.28Å; D349-R352 IonicContact OD2-NE 2.76Å; D349-R352 PolarHBondContact OD2-NE 2.74Å; D349-R352 IonicContact OD2-NH2 3.43Å; D349-R352 PolarHBondContact OD2-NH2 3Å; R352-L355 PolarHBondContact O-N 2.98Å; R352-M356 WeakPolarHBondContact O-CB 3.34Å; R352-M356 WeakPolarHBondContact O-CG 3.35Å; R352-M356 PolarHBondContact O-N 2.7Å; R352-Y382 HydrophobicContact CB-CD2 3.82Å; R352-Y382 HydrophobicContact CB-CE2 3.5Å; R352-Y382 VanDerWaalsContact CB-CE2 3.5Å; R352-Y382 VanDerWaalsContact CD-O 3.31Å; R352-Y382 WeakPolarHBondContact CD-O 3.5Å; R352-Y382 HydrophobicContact CG-CE2 4.42Å; R352-L385 WeakPolarHBondContact CD-O 3.41Å; R352-L385 HydrophobicContact CG-CB 3.88Å; R352-L385 WeakPolarHBondContact CG-O 3.44Å
353	I	93.3	Very high	89.9	Confident	40 Å²	40	70.4 Å²	70.4	21%	0.205	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.9	-73.4	167.5	0	0	0	110.2	Y347 D349 L355 M356 N357 N363 L366	Y347-I353 WeakPolarHBondContact O-CD1 3.48Å; D349-I353 WeakPolarHBondContact O-CB 3.29Å; D349-I353 VanDerWaalsContact O-CG1 3.29Å; D349-I353 WeakPolarHBondContact O-CG1 3.41Å; D349-I353 PolarHBondContact O-N 3.19Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 2.86Å; I353-M356 PolarHBondContact O-N 3.47Å; I353-N357 WeakPolarHBondContact CG2-ND2 3.08Å; I353-N357 PolarHBondContact O-N 2.99Å; I353-N357 PolarHBondContact O-ND2 2.79Å; I353-N363 VanDerWaalsContact CG2-OD1 3.29Å; I353-N363 WeakPolarHBondContact CG2-OD1 3.49Å; I353-L366 HydrophobicContact CG1-CD1 4.37Å
354	A	92.2	Very high	90.2	Very high	50 Å²	50	71.4 Å²	71.4	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-41.3	178.3	0	0	0	0	0	112.4	P350 I351 K358	P350-A354 VanDerWaalsContact O-CB 3.29Å; P350-A354 WeakPolarHBondContact O-CB 3.34Å; P350-A354 PolarHBondContact O-N 3.28Å; I351-A354 PolarHBondContact O-N 3.2Å; A354-K358 WeakPolarHBondContact O-CG 3.42Å; A354-K358 PolarHBondContact O-N 3.31Å
355	L	92.1	Very high	90.7	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-40.7	175.3	-71.5	169.3	0	0	0	112.5	I351 R352 I353 K358 L359 L385 Q391 I394 L398	I351-L355 HydrophobicContact CG2-CD1 4.15Å; I351-L355 WeakPolarHBondContact O-CB 3.33Å; I351-L355 WeakPolarHBondContact O-CG 3.34Å; I351-L355 PolarHBondContact O-N 3.36Å; R352-L355 PolarHBondContact O-N 2.98Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 2.86Å; L355-K358 PolarHBondContact O-N 2.83Å; L355-L359 WeakPolarHBondContact O-CB 3.34Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3.39Å; L355-L385 HydrophobicContact CB-CD1 4.06Å; L355-L385 HydrophobicContact CD1-CD2 4.4Å; L355-Q391 HydrophobicContact CD1-CB 3.8Å; L355-Q391 HydrophobicContact CD1-CG 3.77Å; L355-I394 HydrophobicContact CD2-CG2 4.2Å; L355-L398 HydrophobicContact CD2-CD1 3.97Å
356	M	94.1	Very high	91.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-42	176.5	-74.3	-67.1	-73.9	0	0	112	R352 I353 L359 G360 F361 L366 I378 T381 Y382 L385	R352-M356 WeakPolarHBondContact O-CB 3.34Å; R352-M356 WeakPolarHBondContact O-CG 3.35Å; R352-M356 PolarHBondContact O-N 2.7Å; I353-M356 PolarHBondContact O-N 3.47Å; M356-L359 CarbonylContact O-C 3.51Å; M356-L359 WeakPolarHBondContact O-CA 3.26Å; M356-L359 PolarHBondContact O-N 3.13Å; M356-L359 VanDerWaalsContact O-N 3.14Å; M356-G360 PolarHBondContact O-N 2.89Å; M356-F361 CarbonylContact C-O 3.46Å; M356-F361 HydrophobicContact CB-CB 4.41Å; M356-F361 HydrophobicContact CE-CB 3.87Å; M356-F361 HydrophobicContact CE-CD2 3.35Å; M356-F361 HydrophobicContact CE-CE2 4.04Å; M356-F361 HydrophobicContact CE-CG 3.71Å; M356-F361 PolarHBondContact O-N 3.01Å; M356-F361 HydrophobicContact SD-CD2 3.84Å; M356-F361 HydrophobicContact SD-CE2 4.39Å; M356-L366 HydrophobicContact CB-CD1 3.89Å; M356-L366 HydrophobicContact CE-CD2 3.86Å; M356-L366 HydrophobicContact CE-CG 4.44Å; M356-L366 HydrophobicContact CG-CD1 4.31Å; M356-L366 HydrophobicContact CG-CD2 4.32Å; M356-I378 HydrophobicContact CE-CB 4.45Å; M356-I378 HydrophobicContact CE-CG2 3.55Å; M356-I378 WeakPolarHBondContact CE-O 3.22Å; M356-T381 HydrophobicContact CE-CG2 4.26Å; M356-T381 HydrophobicContact SD-CG2 3.4Å; M356-T381 WeakPolarHBondContact SD-CG2 3.36Å; M356-Y382 HydrophobicContact CG-CD2 4.27Å; M356-L385 HydrophobicContact CG-CD1 3.84Å; M356-L385 HydrophobicContact SD-CD1 3.73Å
357	N	94	Very high	92.1	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.353	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-42	173.6	-74.8	-79	0	0	0	111.5	I353 L359 G360 F361 N363	I353-N357 WeakPolarHBondContact CG2-ND2 3.08Å; I353-N357 PolarHBondContact O-N 2.99Å; I353-N357 PolarHBondContact O-ND2 2.79Å; N357-L359 PolarHBondContact O-N 2.96Å; N357-G360 PolarHBondContact O-N 3.06Å; N357-F361 WeakPolarHBondContact CA-O 3.3Å; N357-F361 PolarHBondContact OD1-O 3.44Å; N357-N363 PolarHBondContact ND2-OD1 3.29Å; N357-N363 PolarHBondContact OD1-OD1 3.36Å
358	K	91.4	Very high	92.5	Very high	135 Å²	135	60.4 Å²	60.4	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-66.8	-21.5	173.4	-71.4	-175.2	177.9	-171.6	0	113.9	A354 L355 G360 L398	A354-K358 WeakPolarHBondContact O-CG 3.42Å; A354-K358 PolarHBondContact O-N 3.31Å; L355-K358 PolarHBondContact O-N 2.83Å; K358-G360 VanDerWaalsContact C-N 3.31Å; K358-L398 HydrophobicContact CB-CD1 3.71Å; K358-L398 HydrophobicContact CB-CD2 4.38Å; K358-L398 HydrophobicContact CD-CD1 4.13Å
359	L	90.3	Very high	92.9	Very high	42 Å²	42	55.3 Å²	55.3	22%	0.22	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4	170.2	-69.3	171.1	0	0	0	113.1	L355 M356 N357 F361 T381 L385	L355-L359 WeakPolarHBondContact O-CB 3.34Å; L355-L359 VanDerWaalsContact O-CG 3.3Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3.39Å; M356-L359 CarbonylContact O-C 3.51Å; M356-L359 WeakPolarHBondContact O-CA 3.26Å; M356-L359 PolarHBondContact O-N 3.13Å; M356-L359 VanDerWaalsContact O-N 3.14Å; N357-L359 PolarHBondContact O-N 2.96Å; L359-F361 HydrophobicContact CB-CD2 4.1Å; L359-F361 HydrophobicContact CB-CE2 4.19Å; L359-T381 HydrophobicContact CD1-CG2 3.92Å; L359-L385 HydrophobicContact CD1-CD1 4.36Å
360	G	92.8	Very high	93.1	Very high	62 Å²	62	54.2 Å²	54.2	64%	0.639	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	9.9	175.6	0	0	0	0	0	115.9	M356 N357 K358	M356-G360 PolarHBondContact O-N 2.89Å; N357-G360 PolarHBondContact O-N 3.06Å; K358-G360 VanDerWaalsContact C-N 3.31Å
361	F	94.2	Very high	93	Very high	26 Å²	26	53.7 Å²	53.7	11%	0.114	29%	0.287	C	S	.	.			trans	-96.4	125.9	174.9	-57.8	-67.8	0	0	0	111.2	L98 M356 N357 L359 N377 I378 T381	L98-F361 HydrophobicContact CD1-CE2 3.94Å; L98-F361 HydrophobicContact CD1-CZ 3.86Å; M356-F361 CarbonylContact C-O 3.46Å; M356-F361 HydrophobicContact CB-CB 4.41Å; M356-F361 HydrophobicContact CE-CB 3.87Å; M356-F361 HydrophobicContact CE-CD2 3.35Å; M356-F361 HydrophobicContact CE-CE2 4.04Å; M356-F361 HydrophobicContact CE-CG 3.71Å; M356-F361 PolarHBondContact O-N 3.01Å; M356-F361 HydrophobicContact SD-CD2 3.84Å; M356-F361 HydrophobicContact SD-CE2 4.39Å; N357-F361 WeakPolarHBondContact CA-O 3.3Å; N357-F361 PolarHBondContact OD1-O 3.44Å; L359-F361 HydrophobicContact CB-CD2 4.1Å; L359-F361 HydrophobicContact CB-CE2 4.19Å; F361-N377 WeakPolarHBondContact CE1-ND2 3.18Å; F361-I378 HydrophobicContact CB-CG2 4.46Å; F361-I378 HydrophobicContact CD1-CD1 3.97Å; F361-I378 HydrophobicContact CD1-CG1 3.85Å; F361-I378 HydrophobicContact CD1-CG2 4.37Å; F361-I378 HydrophobicContact CE1-CD1 4.41Å; F361-I378 HydrophobicContact CE1-CG1 3.94Å; F361-I378 HydrophobicContact CG-CG2 4.39Å; F361-T381 HydrophobicContact CE2-CG2 4.15Å
362	S	94.8	Very high	93	Very high	45 Å²	45	56 Å²	56	32%	0.315	29%	0.293	S	S	.	.			trans	-76.1	155.4	-179.9	67.1	0	0	0	0	113.5	E364 E365 L366	S362-E364 PolarHBondContact O-N 3Å; S362-E365 WeakPolarHBondContact CB-OE2 3.42Å; S362-E365 PolarHBondContact N-OE2 2.92Å; S362-E365 PolarHBondContact O-N 3.39Å; S362-E365 VanDerWaalsContact OG-CG 3.28Å; S362-E365 WeakPolarHBondContact OG-CG 3.33Å; S362-E365 PolarHBondContact OG-N 2.98Å; S362-E365 PolarHBondContact OG-OE2 2.95Å; S362-L366 PolarHBondContact O-N 3.17Å
363	N	93.4	Very high	92.9	Very high	92 Å²	92	60.6 Å²	60.6	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-55.4	-35.1	171.9	-70	-16.6	0	0	0	113	I353 N357 R367	I353-N363 VanDerWaalsContact CG2-OD1 3.29Å; I353-N363 WeakPolarHBondContact CG2-OD1 3.49Å; N357-N363 PolarHBondContact ND2-OD1 3.29Å; N357-N363 PolarHBondContact OD1-OD1 3.36Å; N363-R367 WeakPolarHBondContact O-CB 3.34Å; N363-R367 PolarHBondContact O-N 3.29Å
364	E	94.5	Very high	92.8	Very high	99 Å²	99	61.9 Å²	61.9	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-71.7	-38.7	178.7	175.7	58.5	-165.3	0	0	111.8	S362 R367 V368	S362-E364 PolarHBondContact O-N 3Å; E364-R367 PolarHBondContact O-N 2.84Å; E364-R367 IonicContact OE1-CZ 2.69Å; E364-R367 IonicContact OE1-NE 3.31Å; E364-R367 IonicContact OE1-NH2 3.24Å; E364-R367 PolarHBondContact OE1-NH2 3.06Å; E364-R367 IonicContact OE2-CZ 2.72Å; E364-R367 VanDerWaalsContact OE2-CZ 3.28Å; E364-R367 IonicContact OE2-NE 2.84Å; E364-R367 PolarHBondContact OE2-NE 2.83Å; E364-R367 IonicContact OE2-NH2 3.56Å; E364-R367 PolarHBondContact OE2-NH2 3.38Å; E364-V368 HydrophobicContact CG-CG2 4.45Å; E364-V368 WeakPolarHBondContact O-CB 3.35Å; E364-V368 VanDerWaalsContact O-CG2 3.29Å; E364-V368 WeakPolarHBondContact O-CG2 3.4Å; E364-V368 PolarHBondContact O-N 3.24Å; E364-V368 VanDerWaalsContact OE1-CG2 3.23Å; E364-V368 WeakPolarHBondContact OE1-CG2 3.14Å
365	E	94.7	Very high	92.9	Very high	79 Å²	79	60.6 Å²	60.6	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-38.6	173.6	-73.2	166.4	100	0	0	112.5	S362 T369 I378	S362-E365 WeakPolarHBondContact CB-OE2 3.42Å; S362-E365 PolarHBondContact N-OE2 2.92Å; S362-E365 PolarHBondContact O-N 3.39Å; S362-E365 VanDerWaalsContact OG-CG 3.28Å; S362-E365 WeakPolarHBondContact OG-CG 3.33Å; S362-E365 PolarHBondContact OG-N 2.98Å; S362-E365 PolarHBondContact OG-OE2 2.95Å; E365-T369 WeakPolarHBondContact O-CB 3.25Å; E365-T369 PolarHBondContact O-N 3.23Å; E365-T369 PolarHBondContact O-OG1 3.13Å; E365-I378 HydrophobicContact CB-CD1 3.81Å; E365-I378 HydrophobicContact CG-CD1 4.36Å
366	L	93.7	Very high	93	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-53.5	170.6	-85	166.6	0	0	0	110.5	I353 M356 S362 V368 T369 F370 I378 Y382	I353-L366 HydrophobicContact CG1-CD1 4.37Å; M356-L366 HydrophobicContact CB-CD1 3.89Å; M356-L366 HydrophobicContact CE-CD2 3.86Å; M356-L366 HydrophobicContact CE-CG 4.44Å; M356-L366 HydrophobicContact CG-CD1 4.31Å; M356-L366 HydrophobicContact CG-CD2 4.32Å; S362-L366 PolarHBondContact O-N 3.17Å; L366-V368 PolarHBondContact O-N 2.88Å; L366-T369 WeakPolarHBondContact O-CB 3.39Å; L366-T369 PolarHBondContact O-N 2.94Å; L366-T369 VanDerWaalsContact O-N 3.13Å; L366-F370 HydrophobicContact CD2-CE2 4.08Å; L366-F370 WeakPolarHBondContact O-CD2 3.33Å; L366-F370 PolarHBondContact O-N 2.68Å; L366-I378 HydrophobicContact CD2-CG2 3.99Å; L366-I378 HydrophobicContact CG-CG2 4.27Å; L366-Y382 HydrophobicContact CD2-CD2 3.87Å; L366-Y382 HydrophobicContact CD2-CG 4.27Å
367	R	93.4	Very high	93	Very high	99 Å²	99	62.9 Å²	62.9	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-55.3	-54	179.3	-165.4	-168.4	63.2	79.9	-9.8	111.5	Y347 N363 E364 T369 F370 D371	Y347-R367 HydrophobicContact CE2-CB 4.3Å; Y347-R367 HydrophobicContact CE2-CG 4.19Å; Y347-R367 VanDerWaalsContact OH-CG 3.28Å; Y347-R367 WeakPolarHBondContact OH-CG 3.45Å; N363-R367 WeakPolarHBondContact O-CB 3.34Å; N363-R367 PolarHBondContact O-N 3.29Å; E364-R367 PolarHBondContact O-N 2.84Å; E364-R367 IonicContact OE1-CZ 2.69Å; E364-R367 IonicContact OE1-NE 3.31Å; E364-R367 IonicContact OE1-NH2 3.24Å; E364-R367 PolarHBondContact OE1-NH2 3.06Å; E364-R367 IonicContact OE2-CZ 2.72Å; E364-R367 VanDerWaalsContact OE2-CZ 3.28Å; E364-R367 IonicContact OE2-NE 2.84Å; E364-R367 PolarHBondContact OE2-NE 2.83Å; E364-R367 IonicContact OE2-NH2 3.56Å; E364-R367 PolarHBondContact OE2-NH2 3.38Å; R367-T369 VanDerWaalsContact C-N 3.26Å; R367-T369 PolarHBondContact O-N 2.71Å; R367-F370 PolarHBondContact O-N 2.86Å; R367-D371 WeakPolarHBondContact CG-OD2 3.29Å; R367-D371 IonicContact CZ-OD2 3.08Å; R367-D371 IonicContact NH1-OD2 2.74Å; R367-D371 PolarHBondContact NH1-OD2 3.37Å; R367-D371 VanDerWaalsContact O-CB 3.25Å; R367-D371 WeakPolarHBondContact O-CB 3.29Å; R367-D371 PolarHBondContact O-N 3.44Å
368	V	94.2	Very high	93	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-34.9	177.6	168.9	0	0	0	0	112.4	E364 L366 K372	E364-V368 HydrophobicContact CG-CG2 4.45Å; E364-V368 WeakPolarHBondContact O-CB 3.35Å; E364-V368 VanDerWaalsContact O-CG2 3.29Å; E364-V368 WeakPolarHBondContact O-CG2 3.4Å; E364-V368 PolarHBondContact O-N 3.24Å; E364-V368 VanDerWaalsContact OE1-CG2 3.23Å; E364-V368 WeakPolarHBondContact OE1-CG2 3.14Å; L366-V368 PolarHBondContact O-N 2.88Å; V368-K372 HydrophobicContact CG1-CD 3.93Å; V368-K372 WeakPolarHBondContact O-CB 3.42Å; V368-K372 WeakPolarHBondContact O-CG 3.35Å; V368-K372 PolarHBondContact O-N 3.01Å
369	T	94.6	Very high	93.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-47.3	177.9	-72.1	0	0	0	0	111.9	E365 L366 R367 R373 L374 N376 I378 R379	E365-T369 WeakPolarHBondContact O-CB 3.25Å; E365-T369 PolarHBondContact O-N 3.23Å; E365-T369 PolarHBondContact O-OG1 3.13Å; L366-T369 WeakPolarHBondContact O-CB 3.39Å; L366-T369 PolarHBondContact O-N 2.94Å; L366-T369 VanDerWaalsContact O-N 3.13Å; R367-T369 VanDerWaalsContact C-N 3.26Å; R367-T369 PolarHBondContact O-N 2.71Å; T369-R373 WeakPolarHBondContact O-CA 3.48Å; T369-R373 PolarHBondContact O-N 3.48Å; T369-R373 VanDerWaalsContact O-N 3.16Å; T369-L374 HydrophobicContact CG2-CB 4.33Å; T369-L374 PolarHBondContact O-N 2.96Å; T369-N376 VanDerWaalsContact CG2-OD1 3.22Å; T369-N376 WeakPolarHBondContact CG2-OD1 3.37Å; T369-N376 PolarHBondContact OG1-ND2 2.98Å; T369-I378 HydrophobicContact CG2-CB 4.24Å; T369-R379 HydrophobicContact CG2-CB 3.62Å
370	F	92.4	Very high	93.4	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-79.2	-42.8	-179	-77.1	-79.4	0	0	0	112.7	E345 Y347 L366 R367 K372 R373 R379 Y382	E345-F370 HydrophobicContact CB-CD1 4.5Å; Y347-F370 VanDerWaalsContact CB-CD2 3.4Å; Y347-F370 HydrophobicContact CD1-CB 3.22Å; Y347-F370 HydrophobicContact CD1-CD1 4.35Å; Y347-F370 HydrophobicContact CD1-CD2 4.07Å; Y347-F370 AromaticContact CD1-CG 3.64Å; Y347-F370 HydrophobicContact CD1-CG 3.64Å; Y347-F370 HydrophobicContact CE1-CB 3.5Å; Y347-F370 HydrophobicContact CE1-CG 4.4Å; Y347-F370 HydrophobicContact CG-CB 3.84Å; Y347-F370 AromaticContact CG-CD2 3.8Å; Y347-F370 HydrophobicContact CG-CD2 3.8Å; Y347-F370 AromaticContact CG-CG 3.87Å; Y347-F370 HydrophobicContact CG-CG 3.87Å; L366-F370 HydrophobicContact CD2-CE2 4.08Å; L366-F370 WeakPolarHBondContact O-CD2 3.33Å; L366-F370 PolarHBondContact O-N 2.68Å; R367-F370 PolarHBondContact O-N 2.86Å; F370-K372 PolarHBondContact O-N 2.98Å; F370-R373 PolarHBondContact O-N 3.31Å; F370-R379 HydrophobicContact CE1-CG 3.86Å; F370-R379 HydrophobicContact CZ-CB 4.45Å; F370-R379 HydrophobicContact CZ-CG 3.94Å; F370-Y382 HydrophobicContact CE1-CD1 4.48Å; F370-Y382 AromaticContact CE2-CD1 3.92Å; F370-Y382 HydrophobicContact CE2-CD1 3.92Å; F370-Y382 HydrophobicContact CE2-CE1 4.48Å; F370-Y382 AromaticContact CE2-CG 3.94Å; F370-Y382 HydrophobicContact CE2-CG 3.94Å; F370-Y382 AromaticContact CZ-CD1 3.48Å; F370-Y382 HydrophobicContact CZ-CD1 3.48Å; F370-Y382 VanDerWaalsContact CZ-CD1 3.48Å; F370-Y382 HydrophobicContact CZ-CE1 4.09Å; F370-Y382 AromaticContact CZ-CG 3.93Å; F370-Y382 HydrophobicContact CZ-CG 3.93Å
371	D	90.3	Very high	93.5	Very high	86 Å²	86	49.3 Å²	49.3	46%	0.46	23%	0.234	S	C	.	.	H	α-helix	trans	-56.6	-36.2	177.4	-70.4	-4.9	0	0	0	112.2	Y347 R367	Y347-D371 PolarHBondContact OH-OD1 2.94Å; R367-D371 WeakPolarHBondContact CG-OD2 3.29Å; R367-D371 IonicContact CZ-OD2 3.08Å; R367-D371 IonicContact NH1-OD2 2.74Å; R367-D371 PolarHBondContact NH1-OD2 3.37Å; R367-D371 VanDerWaalsContact O-CB 3.25Å; R367-D371 WeakPolarHBondContact O-CB 3.29Å; R367-D371 PolarHBondContact O-N 3.44Å
372	K	91	Very high	93.6	Very high	143 Å²	143	48.2 Å²	48.2	62%	0.622	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.2	177.8	-58.5	177.2	-173.8	168.6	0	113.8	V368 F370 L374	V368-K372 HydrophobicContact CG1-CD 3.93Å; V368-K372 WeakPolarHBondContact O-CB 3.42Å; V368-K372 WeakPolarHBondContact O-CG 3.35Å; V368-K372 PolarHBondContact O-N 3.01Å; F370-K372 PolarHBondContact O-N 2.98Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 HydrophobicContact CB-CD2 3.85Å; K372-L374 HydrophobicContact CB-CG 3.93Å; K372-L374 PolarHBondContact O-N 2.94Å
373	R	89.3	Confident	93.5	Very high	143 Å²	143	48 Å²	48	54%	0.54	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	48.1	-176.5	-69.3	-179.5	152.2	167.2	-7.1	113.8	E345 T369 F370 F375	E345-R373 IonicContact OE2-CZ 3.8Å; E345-R373 IonicContact OE2-NE 3.57Å; E345-R373 PolarHBondContact OE2-NE 3.03Å; E345-R373 IonicContact OE2-NH2 3.78Å; E345-R373 PolarHBondContact OE2-NH2 3.36Å; E345-R373 VanDerWaalsContact OE2-NH2 3.08Å; T369-R373 WeakPolarHBondContact O-CA 3.48Å; T369-R373 PolarHBondContact O-N 3.48Å; T369-R373 VanDerWaalsContact O-N 3.16Å; F370-R373 PolarHBondContact O-N 3.31Å; R373-F375 WeakPolarHBondContact O-CD2 3.33Å; R373-F375 PolarHBondContact O-N 2.84Å
374	L	92.7	Very high	93.6	Very high	67 Å²	67	44 Å²	44	35%	0.351	20%	0.203	S	C	.	.			trans	-75.5	118.2	178.5	-53.6	-175.8	0	0	0	110.1	T369 K372 N376 R379	T369-L374 HydrophobicContact CG2-CB 4.33Å; T369-L374 PolarHBondContact O-N 2.96Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 HydrophobicContact CB-CD2 3.85Å; K372-L374 HydrophobicContact CB-CG 3.93Å; K372-L374 PolarHBondContact O-N 2.94Å; L374-N376 HydrophobicContact CB-CB 4.36Å; L374-N376 PolarHBondContact O-N 3.44Å; L374-R379 VanDerWaalsContact O-CB 3.3Å; L374-R379 WeakPolarHBondContact O-CB 3.44Å; L374-R379 VanDerWaalsContact O-CD 3.26Å; L374-R379 WeakPolarHBondContact O-CD 3.21Å
375	F	93.6	Very high	93.5	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.105	18%	0.181	C	C	.	.			trans	-80.6	58.5	170.8	-71.7	-99	0	0	0	110.3	K129 L139 E141 V142 R373 R379	K129-F375 HydrophobicContact CB-CD2 4.28Å; K129-F375 HydrophobicContact CB-CE2 3.74Å; K129-F375 HydrophobicContact CB-CZ 3.93Å; K129-F375 HydrophobicContact CD-CD2 3.8Å; K129-F375 HydrophobicContact CD-CE2 4.11Å; K129-F375 HydrophobicContact CD-CG 4.32Å; K129-F375 HydrophobicContact CG-CD1 4.33Å; K129-F375 HydrophobicContact CG-CD2 3.71Å; K129-F375 HydrophobicContact CG-CE1 4.29Å; K129-F375 HydrophobicContact CG-CE2 3.68Å; K129-F375 HydrophobicContact CG-CG 4.04Å; K129-F375 HydrophobicContact CG-CZ 3.98Å; K129-F375 WeakPolarHBondContact O-CZ 3.37Å; L139-F375 HydrophobicContact CB-CD1 4.44Å; L139-F375 HydrophobicContact CB-CE1 4.11Å; L139-F375 HydrophobicContact CD2-CD1 3.66Å; L139-F375 HydrophobicContact CD2-CE1 3.66Å; L139-F375 HydrophobicContact CD2-CG 4.45Å; L139-F375 HydrophobicContact CD2-CZ 4.46Å; L139-F375 HydrophobicContact CG-CD1 3.77Å; L139-F375 HydrophobicContact CG-CE1 3.89Å; E141-F375 WeakPolarHBondContact CG-O 3.41Å; V142-F375 HydrophobicContact CB-CB 4.27Å; V142-F375 HydrophobicContact CG2-CB 4.08Å; V142-F375 PolarHBondContact N-O 2.93Å; R373-F375 WeakPolarHBondContact O-CD2 3.33Å; R373-F375 PolarHBondContact O-N 2.84Å; F375-R379 VanDerWaalsContact CE1-NH1 3.28Å
376	N	93.8	Very high	93.2	Very high	35 Å²	35	38 Å²	38	19%	0.187	18%	0.183	C	C	.	.	S	Bend	trans	-101.2	175.9	179.4	67.6	13	0	0	0	111.1	T369 L374 I378 R379 A380	T369-N376 VanDerWaalsContact CG2-OD1 3.22Å; T369-N376 WeakPolarHBondContact CG2-OD1 3.37Å; T369-N376 PolarHBondContact OG1-ND2 2.98Å; L374-N376 HydrophobicContact CB-CB 4.36Å; L374-N376 PolarHBondContact O-N 3.44Å; N376-I378 PolarHBondContact O-N 3.36Å; N376-I378 VanDerWaalsContact O-N 3.16Å; N376-I378 WeakPolarHBondContact OD1-CA 3.29Å; N376-I378 WeakPolarHBondContact OD1-CB 3.41Å; N376-I378 PolarHBondContact OD1-N 3.08Å; N376-R379 PolarHBondContact O-N 2.91Å; N376-R379 PolarHBondContact OD1-N 3.25Å; N376-A380 PolarHBondContact O-N 2.9Å
377	N	93.9	Very high	92.7	Very high	26 Å²	26	39.5 Å²	39.5	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-19.4	177.2	68.1	-95.9	0	0	0	114.2	K76 E141 F361 T381	K76-N377 HydrophobicContact CD-CB 3.84Å; K76-N377 PolarHBondContact NZ-ND2 3.38Å; K76-N377 PolarHBondContact NZ-OD1 2.81Å; E141-N377 VanDerWaalsContact CD-N 3.32Å; E141-N377 WeakPolarHBondContact OE1-CB 3.31Å; E141-N377 PolarHBondContact OE1-N 3.23Å; E141-N377 VanDerWaalsContact OE1-N 3.13Å; F361-N377 WeakPolarHBondContact CE1-ND2 3.18Å; N377-T381 WeakPolarHBondContact O-CB 3.44Å; N377-T381 PolarHBondContact O-N 3.08Å; N377-T381 PolarHBondContact O-OG1 2.92Å
378	I	94.7	Very high	92	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-75.4	-48	-179.5	-50.6	-172.6	0	0	0	108.8	M356 F361 E365 L366 T369 N376 A380 T381 Y382	M356-I378 HydrophobicContact CE-CB 4.45Å; M356-I378 HydrophobicContact CE-CG2 3.55Å; M356-I378 WeakPolarHBondContact CE-O 3.22Å; F361-I378 HydrophobicContact CB-CG2 4.46Å; F361-I378 HydrophobicContact CD1-CD1 3.97Å; F361-I378 HydrophobicContact CD1-CG1 3.85Å; F361-I378 HydrophobicContact CD1-CG2 4.37Å; F361-I378 HydrophobicContact CE1-CD1 4.41Å; F361-I378 HydrophobicContact CE1-CG1 3.94Å; F361-I378 HydrophobicContact CG-CG2 4.39Å; E365-I378 HydrophobicContact CB-CD1 3.81Å; E365-I378 HydrophobicContact CG-CD1 4.36Å; L366-I378 HydrophobicContact CD2-CG2 3.99Å; L366-I378 HydrophobicContact CG-CG2 4.27Å; T369-I378 HydrophobicContact CG2-CB 4.24Å; N376-I378 PolarHBondContact O-N 3.36Å; N376-I378 VanDerWaalsContact O-N 3.16Å; N376-I378 WeakPolarHBondContact OD1-CA 3.29Å; N376-I378 WeakPolarHBondContact OD1-CB 3.41Å; N376-I378 PolarHBondContact OD1-N 3.08Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 3.32Å; I378-T381 PolarHBondContact O-N 3.46Å; I378-Y382 PolarHBondContact O-N 3.4Å
379	R	94.9	Very high	91.3	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-44.5	170.6	-173	171.4	-179.4	-77	-1.1	110.9	L139 E345 T369 F370 L374 F375 N376 Y382 L383	L139-R379 PolarHBondContact O-NH1 2.85Å; E345-R379 IonicContact OE1-CZ 3.9Å; E345-R379 IonicContact OE1-NE 3.37Å; E345-R379 PolarHBondContact OE1-NE 3.42Å; E345-R379 IonicContact OE1-NH2 3.03Å; E345-R379 PolarHBondContact OE1-NH2 2.8Å; T369-R379 HydrophobicContact CG2-CB 3.62Å; F370-R379 HydrophobicContact CE1-CG 3.86Å; F370-R379 HydrophobicContact CZ-CB 4.45Å; F370-R379 HydrophobicContact CZ-CG 3.94Å; L374-R379 VanDerWaalsContact O-CB 3.3Å; L374-R379 WeakPolarHBondContact O-CB 3.44Å; L374-R379 VanDerWaalsContact O-CD 3.26Å; L374-R379 WeakPolarHBondContact O-CD 3.21Å; F375-R379 VanDerWaalsContact CE1-NH1 3.28Å; N376-R379 PolarHBondContact O-N 2.91Å; N376-R379 PolarHBondContact OD1-N 3.25Å; R379-Y382 PolarHBondContact O-N 3.12Å; R379-L383 HydrophobicContact CG-CD1 3.93Å; R379-L383 HydrophobicContact CG-CG 4.43Å; R379-L383 WeakPolarHBondContact O-CB 3.33Å; R379-L383 VanDerWaalsContact O-CG 3.29Å; R379-L383 WeakPolarHBondContact O-CG 3.44Å; R379-L383 PolarHBondContact O-N 3.36Å
380	A	95.2	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-44.4	178.7	0	0	0	0	0	112.7	E141 N376 I378 L383 L384	E141-A380 HydrophobicContact CB-CB 3.91Å; N376-A380 PolarHBondContact O-N 2.9Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 3.32Å; A380-L383 PolarHBondContact O-N 3.28Å; A380-L384 VanDerWaalsContact O-CB 3.28Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 WeakPolarHBondContact O-CG 2.96Å; A380-L384 PolarHBondContact O-N 3.41Å
381	T	95	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-49.9	176.5	-53.1	0	0	0	0	110.5	H96 L98 T99 M356 L359 F361 N377 I378 L383 L384 L385	H96-T381 PolarHBondContact CE1-OG1 2.89Å; L98-T381 HydrophobicContact CB-CG2 4.4Å; L98-T381 HydrophobicContact CD1-CG2 4.47Å; T99-T381 HydrophobicContact CG2-CG2 3.91Å; M356-T381 HydrophobicContact CE-CG2 4.26Å; M356-T381 HydrophobicContact SD-CG2 3.4Å; M356-T381 WeakPolarHBondContact SD-CG2 3.36Å; L359-T381 HydrophobicContact CD1-CG2 3.92Å; F361-T381 HydrophobicContact CE2-CG2 4.15Å; N377-T381 WeakPolarHBondContact O-CB 3.44Å; N377-T381 PolarHBondContact O-N 3.08Å; N377-T381 PolarHBondContact O-OG1 2.92Å; I378-T381 PolarHBondContact O-N 3.46Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 2.85Å; T381-L384 CarbonylContact O-C 3.54Å; T381-L384 PolarHBondContact O-N 3.11Å; T381-L384 VanDerWaalsContact O-N 3.12Å; T381-L385 HydrophobicContact CG2-CD1 4.29Å; T381-L385 VanDerWaalsContact O-CG 3.31Å; T381-L385 WeakPolarHBondContact O-CG 3.22Å; T381-L385 PolarHBondContact O-N 2.79Å
382	Y	95.1	Very high	89.6	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-41	179.1	179.5	-83.8	0	0	0	112.9	N346 Y347 D349 R352 M356 L366 F370 I378 R379 L385	N346-Y382 PolarHBondContact O-OH 3.38Å; N346-Y382 VanDerWaalsContact O-OH 3.14Å; Y347-Y382 VanDerWaalsContact CA-OH 3.22Å; Y347-Y382 WeakPolarHBondContact CA-OH 3.45Å; Y347-Y382 PolarHBondContact O-OH 3.42Å; D349-Y382 VanDerWaalsContact CB-OH 3.23Å; D349-Y382 WeakPolarHBondContact CB-OH 3.31Å; D349-Y382 PolarHBondContact N-OH 2.84Å; R352-Y382 HydrophobicContact CB-CD2 3.82Å; R352-Y382 HydrophobicContact CB-CE2 3.5Å; R352-Y382 VanDerWaalsContact CB-CE2 3.5Å; R352-Y382 VanDerWaalsContact CD-O 3.31Å; R352-Y382 WeakPolarHBondContact CD-O 3.5Å; R352-Y382 HydrophobicContact CG-CE2 4.42Å; M356-Y382 HydrophobicContact CG-CD2 4.27Å; L366-Y382 HydrophobicContact CD2-CD2 3.87Å; L366-Y382 HydrophobicContact CD2-CG 4.27Å; F370-Y382 HydrophobicContact CE1-CD1 4.48Å; F370-Y382 AromaticContact CE2-CD1 3.92Å; F370-Y382 HydrophobicContact CE2-CD1 3.92Å; F370-Y382 HydrophobicContact CE2-CE1 4.48Å; F370-Y382 AromaticContact CE2-CG 3.94Å; F370-Y382 HydrophobicContact CE2-CG 3.94Å; F370-Y382 AromaticContact CZ-CD1 3.48Å; F370-Y382 HydrophobicContact CZ-CD1 3.48Å; F370-Y382 VanDerWaalsContact CZ-CD1 3.48Å; F370-Y382 HydrophobicContact CZ-CE1 4.09Å; F370-Y382 AromaticContact CZ-CG 3.93Å; F370-Y382 HydrophobicContact CZ-CG 3.93Å; I378-Y382 PolarHBondContact O-N 3.4Å; R379-Y382 PolarHBondContact O-N 3.12Å; Y382-L385 PolarHBondContact O-N 3.02Å
383	L	94.2	Very high	89.3	Confident	41 Å²	41	42.6 Å²	42.6	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-72.9	-32.2	177	-68.2	177.2	0	0	0	112.8	Y140 R379 A380 T381 L385 A386	Y140-L383 HydrophobicContact CD1-CB 3.88Å; Y140-L383 HydrophobicContact CD1-CD1 4.11Å; Y140-L383 HydrophobicContact CE1-CB 4.11Å; R379-L383 HydrophobicContact CG-CD1 3.93Å; R379-L383 HydrophobicContact CG-CG 4.43Å; R379-L383 WeakPolarHBondContact O-CB 3.33Å; R379-L383 VanDerWaalsContact O-CG 3.29Å; R379-L383 WeakPolarHBondContact O-CG 3.44Å; R379-L383 PolarHBondContact O-N 3.36Å; A380-L383 PolarHBondContact O-N 3.28Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 2.85Å; L383-L385 PolarHBondContact O-N 2.96Å; L383-A386 WeakPolarHBondContact O-CB 3.11Å; L383-A386 PolarHBondContact O-N 2.84Å
384	L	94.4	Very high	88.8	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-80.3	-0.9	174.8	-67.2	170.6	0	0	0	113.6	H96 T99 R101 V103 Y140 A380 T381	H96-L384 HydrophobicContact CB-CD1 3.75Å; T99-L384 HydrophobicContact CG2-CB 4.02Å; R101-L384 HydrophobicContact CB-CD2 4.06Å; V103-L384 HydrophobicContact CG1-CD1 3.96Å; V103-L384 HydrophobicContact CG1-CD2 3.9Å; Y140-L384 HydrophobicContact CD2-CD2 4Å; Y140-L384 HydrophobicContact CD2-CG 4.42Å; Y140-L384 HydrophobicContact CE1-CD2 4.23Å; Y140-L384 HydrophobicContact CE2-CD2 3.62Å; Y140-L384 HydrophobicContact CE2-CG 4.47Å; Y140-L384 HydrophobicContact CG-CD2 4.44Å; Y140-L384 HydrophobicContact CG-CG 4.46Å; A380-L384 VanDerWaalsContact O-CB 3.28Å; A380-L384 WeakPolarHBondContact O-CB 3.42Å; A380-L384 WeakPolarHBondContact O-CG 2.96Å; A380-L384 PolarHBondContact O-N 3.41Å; T381-L384 CarbonylContact O-C 3.54Å; T381-L384 PolarHBondContact O-N 3.11Å; T381-L384 VanDerWaalsContact O-N 3.12Å
385	L	92.9	Very high	87.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	16.6	167.3	-68.7	172.5	0	0	0	112.3	T99 R352 L355 M356 L359 T381 Y382 L383 D387 T390 Q391 I394	T99-L385 HydrophobicContact CG2-CD2 3.8Å; T99-L385 HydrophobicContact CG2-CG 3.95Å; R352-L385 WeakPolarHBondContact CD-O 3.41Å; R352-L385 HydrophobicContact CG-CB 3.88Å; R352-L385 WeakPolarHBondContact CG-O 3.44Å; L355-L385 HydrophobicContact CB-CD1 4.06Å; L355-L385 HydrophobicContact CD1-CD2 4.4Å; M356-L385 HydrophobicContact CG-CD1 3.84Å; M356-L385 HydrophobicContact SD-CD1 3.73Å; L359-L385 HydrophobicContact CD1-CD1 4.36Å; T381-L385 HydrophobicContact CG2-CD1 4.29Å; T381-L385 VanDerWaalsContact O-CG 3.31Å; T381-L385 WeakPolarHBondContact O-CG 3.22Å; T381-L385 PolarHBondContact O-N 2.79Å; Y382-L385 PolarHBondContact O-N 3.02Å; L383-L385 PolarHBondContact O-N 2.96Å; L385-D387 PolarHBondContact O-N 3.32Å; L385-T390 HydrophobicContact CD2-CG2 4.39Å; L385-Q391 VanDerWaalsContact O-CG 3.32Å; L385-Q391 WeakPolarHBondContact O-CG 3.34Å; L385-Q391 PolarHBondContact O-NE2 3.08Å; L385-I394 HydrophobicContact CD2-CD1 3.32Å
386	A	87.2	Confident	87.2	Confident	52 Å²	52	40 Å²	40	43%	0.43	21%	0.205	S	C	.	.			trans	-72	-22.9	-169.8	0	0	0	0	0	115.8	L383	L383-A386 WeakPolarHBondContact O-CB 3.11Å; L383-A386 PolarHBondContact O-N 2.84Å
387	D	83.2	Confident	86.1	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.193	22%	0.223	C	C	.	.	S	Bend	trans	-106.4	144.4	-174.9	58.2	102.4	0	0	0	113.5	R101 L385 E389 T390 Q391	R101-D387 IonicContact CZ-OD1 3.89Å; R101-D387 IonicContact CZ-OD2 3.5Å; R101-D387 IonicContact NE-OD1 2.63Å; R101-D387 IonicContact NE-OD2 3.4Å; R101-D387 PolarHBondContact NE-OD2 2.85Å; R101-D387 IonicContact NH1-OD1 2.77Å; R101-D387 PolarHBondContact NH1-OD1 3.39Å; R101-D387 IonicContact NH2-OD1 3.99Å; R101-D387 PolarHBondContact NH2-OD1 2.81Å; R101-D387 VanDerWaalsContact NH2-OD1 3.08Å; R101-D387 IonicContact NH2-OD2 2.75Å; R101-D387 PolarHBondContact NH2-OD2 3.41Å; L385-D387 PolarHBondContact O-N 3.32Å; D387-E389 VanDerWaalsContact C-N 3.27Å; D387-E389 PolarHBondContact O-N 3.43Å; D387-T390 PolarHBondContact O-N 3.49Å; D387-T390 WeakPolarHBondContact OD1-CB 3.32Å; D387-T390 PolarHBondContact OD1-N 3.02Å; D387-T390 PolarHBondContact OD1-OG1 2.9Å; D387-T390 PolarHBondContact OD2-OG1 3.27Å; D387-Q391 WeakPolarHBondContact O-CG 3.32Å; D387-Q391 PolarHBondContact O-N 2.61Å
388	T	79.3	Confident	85.2	Confident	92 Å²	92	44.6 Å²	44.6	56%	0.564	23%	0.225	S	C	*	.	H	α-helix	trans	-61.2	-32.6	-177.3	-32.1	0	0	0	0	113	Q391 Q392	T388-Q391 PolarHBondContact O-N 2.86Å; T388-Q392 HydrophobicContact CG2-CG 4.42Å; T388-Q392 VanDerWaalsContact O-CB 3.31Å; T388-Q392 WeakPolarHBondContact O-CB 3.21Å; T388-Q392 VanDerWaalsContact O-CG 3.22Å; T388-Q392 WeakPolarHBondContact O-CG 3.42Å; T388-Q392 PolarHBondContact O-N 3.45Å
389	E	80.2	Confident	84.1	Confident	115 Å²	115	47.8 Å²	47.8	54%	0.537	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-51.3	176	-174.7	-150.2	160.3	0	0	110.8	R101 D387 Q392 R393	R101-E389 IonicContact NH1-OE2 3.86Å; R101-E389 PolarHBondContact NH1-OE2 3.4Å; R101-E389 VanDerWaalsContact NH1-OE2 3.08Å; D387-E389 VanDerWaalsContact C-N 3.27Å; D387-E389 PolarHBondContact O-N 3.43Å; E389-Q392 PolarHBondContact O-N 3.33Å; E389-R393 VanDerWaalsContact O-CB 3.32Å; E389-R393 WeakPolarHBondContact O-CB 3.28Å; E389-R393 PolarHBondContact O-N 3.41Å
390	T	80.6	Confident	82.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-40.4	179.6	-61.6	0	0	0	0	111.7	T99 R101 L385 D387 R393 I394	T99-T390 WeakPolarHBondContact O-CG2 3.38Å; R101-T390 WeakPolarHBondContact CD-OG1 3.48Å; R101-T390 HydrophobicContact CG-CG2 4.06Å; R101-T390 VanDerWaalsContact CZ-OG1 3.29Å; R101-T390 PolarHBondContact NE-OG1 2.87Å; R101-T390 PolarHBondContact NH1-OG1 3.21Å; L385-T390 HydrophobicContact CD2-CG2 4.39Å; D387-T390 PolarHBondContact O-N 3.49Å; D387-T390 WeakPolarHBondContact OD1-CB 3.32Å; D387-T390 PolarHBondContact OD1-N 3.02Å; D387-T390 PolarHBondContact OD1-OG1 2.9Å; D387-T390 PolarHBondContact OD2-OG1 3.27Å; T390-R393 PolarHBondContact O-N 3Å; T390-I394 HydrophobicContact CG2-CD1 3.53Å; T390-I394 HydrophobicContact CG2-CG1 4.43Å; T390-I394 WeakPolarHBondContact O-CB 3.22Å; T390-I394 WeakPolarHBondContact O-CD1 3.07Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.31Å; T390-I394 PolarHBondContact O-N 2.96Å
391	Q	82.5	Confident	80.7	Confident	22 Å²	22	53.9 Å²	53.9	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-47.9	173.7	-68.3	175.6	3.2	0	0	111.7	I351 L355 L385 D387 T388 G395	I351-Q391 HydrophobicContact CG2-CG 4.47Å; L355-Q391 HydrophobicContact CD1-CB 3.8Å; L355-Q391 HydrophobicContact CD1-CG 3.77Å; L385-Q391 VanDerWaalsContact O-CG 3.32Å; L385-Q391 WeakPolarHBondContact O-CG 3.34Å; L385-Q391 PolarHBondContact O-NE2 3.08Å; D387-Q391 WeakPolarHBondContact O-CG 3.32Å; D387-Q391 PolarHBondContact O-N 2.61Å; T388-Q391 PolarHBondContact O-N 2.86Å; Q391-G395 PolarHBondContact O-N 3.33Å
392	Q	78.8	Confident	78.8	Confident	106 Å²	106	55.5 Å²	55.5	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-43.2	177.3	-75	178	12.2	0	0	112.3	T388 E389 I394 G395 K396	T388-Q392 HydrophobicContact CG2-CG 4.42Å; T388-Q392 VanDerWaalsContact O-CB 3.31Å; T388-Q392 WeakPolarHBondContact O-CB 3.21Å; T388-Q392 VanDerWaalsContact O-CG 3.22Å; T388-Q392 WeakPolarHBondContact O-CG 3.42Å; T388-Q392 PolarHBondContact O-N 3.45Å; E389-Q392 PolarHBondContact O-N 3.33Å; Q392-I394 PolarHBondContact O-N 3.08Å; Q392-G395 PolarHBondContact O-N 3.48Å; Q392-K396 WeakPolarHBondContact O-CB 3.47Å; Q392-K396 VanDerWaalsContact O-CG 3.32Å; Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 2.87Å
393	R	83.4	Confident	76.7	Confident	105 Å²	105	60 Å²	60	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-46.4	178.7	-178.8	171.7	67	-174.6	5	111.8	T99 G100 E389 T390 H397	T99-R393 PolarHBondContact O-NH2 3.48Å; G100-R393 PolarHBondContact O-NH2 2.77Å; E389-R393 VanDerWaalsContact O-CB 3.32Å; E389-R393 WeakPolarHBondContact O-CB 3.28Å; E389-R393 PolarHBondContact O-N 3.41Å; T390-R393 PolarHBondContact O-N 3Å; R393-H397 PolarHBondContact O-N 2.91Å; R393-H397 VanDerWaalsContact O-N 3.16Å
394	I	78.2	Confident	74.2	Confident	14 Å²	14	64 Å²	64	7%	0.072	34%	0.336	C	S	.	.	H	α-helix	trans	-74.1	-40	-179.6	-63.3	162.7	0	0	0	110.4	T99 L355 L385 T390 Q392 K396 H397 L398	T99-I394 HydrophobicContact CG2-CD1 4.21Å; L355-I394 HydrophobicContact CD2-CG2 4.2Å; L385-I394 HydrophobicContact CD2-CD1 3.32Å; T390-I394 HydrophobicContact CG2-CD1 3.53Å; T390-I394 HydrophobicContact CG2-CG1 4.43Å; T390-I394 WeakPolarHBondContact O-CB 3.22Å; T390-I394 WeakPolarHBondContact O-CD1 3.07Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.31Å; T390-I394 PolarHBondContact O-N 2.96Å; Q392-I394 PolarHBondContact O-N 3.08Å; I394-K396 PolarHBondContact O-N 3.06Å; I394-H397 PolarHBondContact O-N 3.3Å; I394-L398 HydrophobicContact CG2-CD1 3.65Å; I394-L398 HydrophobicContact CG2-CG 4.14Å; I394-L398 WeakPolarHBondContact O-CB 3.38Å; I394-L398 VanDerWaalsContact O-CG 3.29Å; I394-L398 WeakPolarHBondContact O-CG 3.47Å; I394-L398 PolarHBondContact O-N 3.42Å
395	G	75.4	Confident	71.5	Confident	19 Å²	19	69.4 Å²	69.4	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-55.4	-49.6	173.6	0	0	0	0	0	112.5	Q391 Q392 H397 L398 I399	Q391-G395 PolarHBondContact O-N 3.33Å; Q392-G395 PolarHBondContact O-N 3.48Å; G395-H397 PolarHBondContact O-N 3.09Å; G395-L398 PolarHBondContact O-N 3.49Å; G395-I399 WeakPolarHBondContact O-CB 3.21Å; G395-I399 WeakPolarHBondContact O-CD1 3.46Å; G395-I399 VanDerWaalsContact O-CG1 3.24Å; G395-I399 WeakPolarHBondContact O-CG1 3.49Å; G395-I399 PolarHBondContact O-N 3.32Å
396	K	77.5	Confident	69.2	Low	147 Å²	147	73.2 Å²	73.2	64%	0.639	39%	0.391	S	S	*	.	H	α-helix	trans	-60	-42.1	175.2	-73.4	173.2	178.3	178.8	0	112.5	Q392 I394 I399 S400	Q392-K396 WeakPolarHBondContact O-CB 3.47Å; Q392-K396 VanDerWaalsContact O-CG 3.32Å; Q392-K396 WeakPolarHBondContact O-CG 3.47Å; Q392-K396 PolarHBondContact O-N 2.87Å; I394-K396 PolarHBondContact O-N 3.06Å; K396-I399 PolarHBondContact O-N 3.43Å; K396-S400 WeakPolarHBondContact O-CB 3.14Å; K396-S400 PolarHBondContact O-N 3.39Å
397	H	72.2	Confident	67.1	Low	120 Å²	120	75.9 Å²	75.9	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-67.5	-42.8	179.1	-168.9	45.8	0	0	0	112.6	R393 I394 G395 S400 I401	R393-H397 PolarHBondContact O-N 2.91Å; R393-H397 VanDerWaalsContact O-N 3.16Å; I394-H397 PolarHBondContact O-N 3.3Å; G395-H397 PolarHBondContact O-N 3.09Å; H397-S400 PolarHBondContact O-N 2.86Å; H397-I401 WeakPolarHBondContact O-CG1 3.48Å; H397-I401 PolarHBondContact O-N 2.96Å
398	L	73.3	Confident	64.8	Low	36 Å²	36	77.8 Å²	77.8	19%	0.188	42%	0.422	C	S	.	.	H	α-helix	trans	-65.2	-37.7	175.8	-70	166.9	0	0	0	112.3	L355 K358 I394 G395 G402	L355-L398 HydrophobicContact CD2-CD1 3.97Å; K358-L398 HydrophobicContact CB-CD1 3.71Å; K358-L398 HydrophobicContact CB-CD2 4.38Å; K358-L398 HydrophobicContact CD-CD1 4.13Å; I394-L398 HydrophobicContact CG2-CD1 3.65Å; I394-L398 HydrophobicContact CG2-CG 4.14Å; I394-L398 WeakPolarHBondContact O-CB 3.38Å; I394-L398 VanDerWaalsContact O-CG 3.29Å; I394-L398 WeakPolarHBondContact O-CG 3.47Å; I394-L398 PolarHBondContact O-N 3.42Å; G395-L398 PolarHBondContact O-N 3.49Å; L398-G402 PolarHBondContact O-N 3.17Å
399	I	72.4	Confident	62.6	Low	80 Å²	80	79.7 Å²	79.7	41%	0.41	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-48	172.7	-72	164.8	0	0	0	110.1	G395 K396 I401 G402 H403	G395-I399 WeakPolarHBondContact O-CB 3.21Å; G395-I399 WeakPolarHBondContact O-CD1 3.46Å; G395-I399 VanDerWaalsContact O-CG1 3.24Å; G395-I399 WeakPolarHBondContact O-CG1 3.49Å; G395-I399 PolarHBondContact O-N 3.32Å; K396-I399 PolarHBondContact O-N 3.43Å; I399-I401 VanDerWaalsContact C-N 3.35Å; I399-I401 PolarHBondContact O-N 3.4Å; I399-G402 WeakPolarHBondContact O-CA 3.49Å; I399-G402 PolarHBondContact O-N 2.85Å; I399-G402 VanDerWaalsContact O-N 3.1Å; I399-H403 PolarHBondContact O-CD2 2.86Å; I399-H403 VanDerWaalsContact O-CD2 3.23Å; I399-H403 PolarHBondContact O-N 3.16Å
400	S	60.8	Low	60.5	Low	65 Å²	65	81.5 Å²	81.5	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-43.5	177.3	172.6	0	0	0	0	112.8	K396 H397 H403 M404	K396-S400 WeakPolarHBondContact O-CB 3.14Å; K396-S400 PolarHBondContact O-N 3.39Å; H397-S400 PolarHBondContact O-N 2.86Å; S400-H403 PolarHBondContact O-N 2.98Å; S400-M404 WeakPolarHBondContact O-CG 3.46Å; S400-M404 PolarHBondContact O-N 3.1Å
401	I	58.7	Low	58	Low	71 Å²	71	88.9 Å²	88.9	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-64.7	-42.1	174.6	-67.3	166.3	0	0	0	111	H397 I399 H403 M404 L405	H397-I401 WeakPolarHBondContact O-CG1 3.48Å; H397-I401 PolarHBondContact O-N 2.96Å; I399-I401 VanDerWaalsContact C-N 3.35Å; I399-I401 PolarHBondContact O-N 3.4Å; I401-H403 PolarHBondContact O-N 2.93Å; I401-M404 PolarHBondContact O-N 3.18Å; I401-L405 HydrophobicContact CG2-CD1 3.81Å; I401-L405 HydrophobicContact CG2-CG 4.35Å; I401-L405 WeakPolarHBondContact O-CG 3.25Å; I401-L405 PolarHBondContact O-N 2.82Å
402	G	54.1	Low	55.7	Low	33 Å²	33	92.8 Å²	92.8	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-57.8	-44.7	175.6	0	0	0	0	0	113	L398 I399 L405 S406	L398-G402 PolarHBondContact O-N 3.17Å; I399-G402 WeakPolarHBondContact O-CA 3.49Å; I399-G402 PolarHBondContact O-N 2.85Å; I399-G402 VanDerWaalsContact O-N 3.1Å; G402-L405 PolarHBondContact O-N 3.11Å; G402-S406 WeakPolarHBondContact O-CB 3.33Å; G402-S406 PolarHBondContact O-N 2.87Å; G402-S406 PolarHBondContact O-OG 3.34Å
403	H	51.2	Low	53.4	Low	100 Å²	100	94.6 Å²	94.6	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-43	174.6	-75.2	-76.7	0	0	0	112.2	I399 S400 I401 L405 S406 S407	I399-H403 PolarHBondContact O-CD2 2.86Å; I399-H403 VanDerWaalsContact O-CD2 3.23Å; I399-H403 PolarHBondContact O-N 3.16Å; S400-H403 PolarHBondContact O-N 2.98Å; I401-H403 PolarHBondContact O-N 2.93Å; H403-L405 VanDerWaalsContact C-N 3.3Å; H403-L405 PolarHBondContact O-N 2.82Å; H403-S406 PolarHBondContact O-N 2.75Å; H403-S407 PolarHBondContact O-N 2.99Å; H403-S407 PolarHBondContact O-OG 3.41Å
404	M	41.5	Very low	51.2	Low	124 Å²	124	97.3 Å²	97.3	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-60.1	-38.4	177.4	-64.7	-110.1	-67.9	0	0	112.7	S400 I401 S408	S400-M404 WeakPolarHBondContact O-CG 3.46Å; S400-M404 PolarHBondContact O-N 3.1Å; I401-M404 PolarHBondContact O-N 3.18Å; M404-S408 PolarHBondContact O-OG 2.96Å
405	L	38.3	Very low	48.9	Very low	121 Å²	121	104.4 Å²	104.4	63%	0.634	57%	0.574	S	S	*	*	H	α-helix	trans	-77.1	-19.9	175.8	-66.3	173.4	0	0	0	113.5	I401 G402 H403 S408	I401-L405 HydrophobicContact CG2-CD1 3.81Å; I401-L405 HydrophobicContact CG2-CG 4.35Å; I401-L405 WeakPolarHBondContact O-CG 3.25Å; I401-L405 PolarHBondContact O-N 2.82Å; G402-L405 PolarHBondContact O-N 3.11Å; H403-L405 VanDerWaalsContact C-N 3.3Å; H403-L405 PolarHBondContact O-N 2.82Å; L405-S408 WeakPolarHBondContact CA-OG 3.24Å; L405-S408 PolarHBondContact O-OG 2.95Å
406	S	45.4	Very low	46.8	Very low	80 Å²	80	107.2 Å²	107.2	56%	0.559	60%	0.603	S	S	*	*	H	α-helix	trans	-82.9	-40.8	173.9	-55.8	0	0	0	0	111.4	G402 H403 S408 N409	G402-S406 WeakPolarHBondContact O-CB 3.33Å; G402-S406 PolarHBondContact O-N 2.87Å; G402-S406 PolarHBondContact O-OG 3.34Å; H403-S406 PolarHBondContact O-N 2.75Å; S406-S408 PolarHBondContact O-N 3.33Å; S406-S408 VanDerWaalsContact O-N 3.09Å; S406-N409 PolarHBondContact O-N 3.32Å
407	S	42.1	Very low	44.6	Very low	107 Å²	107	108.4 Å²	108.4	75%	0.748	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	0.8	177.6	-58.1	0	0	0	0	114.5	H403	H403-S407 PolarHBondContact O-N 2.99Å; H403-S407 PolarHBondContact O-OG 3.41Å
408	S	35.4	Very low	42.8	Very low	76 Å²	76	108.6 Å²	108.6	53%	0.531	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	8	177.2	31.8	0	0	0	0	113.8	M404 L405 S406	M404-S408 PolarHBondContact O-OG 2.96Å; L405-S408 WeakPolarHBondContact CA-OG 3.24Å; L405-S408 PolarHBondContact O-OG 2.95Å; S406-S408 PolarHBondContact O-N 3.33Å; S406-S408 VanDerWaalsContact O-N 3.09Å
409	N	33.3	Very low	40.7	Very low	133 Å²	133	111.4 Å²	111.4	71%	0.711	65%	0.646	S	S	*	*	S	Bend	trans	-144.1	99	167.3	-87.8	-64.5	0	0	0	111.9	S406	S406-N409 PolarHBondContact O-N 3.32Å
410	I	34.5	Very low	38.8	Very low	152 Å²	152	116 Å²	116	78%	0.779	67%	0.665	S	S	*	*			trans	177.7	119.2	141.1	-91.6	149.8	0	0	0	107.7	P412	I410-P412 HydrophobicContact CG2-CB 4.3Å; I410-P412 HydrophobicContact CG2-CG 4.45Å
411	N	29.6	Very low	37.5	Very low	155 Å²	155	123 Å²	123	83%	0.829	69%	0.687	S	S	*	*			trans	-98.7	117.8	160.7	-104.3	10.5	0	0	0	107.4
412	P	33.4	Very low	36.1	Very low	105 Å²	105	124.8 Å²	124.8	68%	0.682	71%	0.706	S	S	*	*			trans	-101.1	20.6	179.1	38	-32.5	0	0	0	114	I410 I414	I410-P412 HydrophobicContact CG2-CB 4.3Å; I410-P412 HydrophobicContact CG2-CG 4.45Å; P412-I414 PolarHBondContact O-N 3.26Å; P412-I414 VanDerWaalsContact O-N 3.14Å
413	D	30.4	Very low	35.1	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	73%	0.733	S	S	*	*			trans	-85.6	78.9	-175.9	-73.9	-26.2	0	0	0	113.7
414	I	37.2	Very low	34	Very low	162 Å²	162	128.8 Å²	128.8	83%	0.831	74%	0.744	S	S	*	*			trans	-136.2	93.7	151.5	-56.8	-176.9	0	0	0	108.8	P412 G416	P412-I414 PolarHBondContact O-N 3.26Å; P412-I414 VanDerWaalsContact O-N 3.14Å; I414-G416 PolarHBondContact O-N 2.65Å
415	E	30.6	Very low	33.6	Very low	163 Å²	163	135 Å²	135	76%	0.762	76%	0.761	S	S	*	*			trans	-67.9	116.1	168.9	-78.1	-154.1	143.5	0	0	111	K417	E415-K417 VanDerWaalsContact OE2-CE 3.26Å; E415-K417 WeakPolarHBondContact OE2-CE 3.28Å; E415-K417 IonicContact OE2-NZ 2.99Å; E415-K417 PolarHBondContact OE2-NZ 3.24Å; E415-K417 VanDerWaalsContact OE2-NZ 3.12Å
416	G	31.9	Very low	33.2	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	77%	0.772	S	S	*	*			trans	-110	99.5	171	0	0	0	0	0	112.4	I414	I414-G416 PolarHBondContact O-N 2.65Å
417	K	31	Very low	32.4	Very low	173 Å²	173	143.2 Å²	143.2	75%	0.752	79%	0.789	S	S	*	*			trans	-85.3	120.7	177.9	-68.6	169.2	-176.3	155.1	0	111.8	E415	E415-K417 VanDerWaalsContact OE2-CE 3.26Å; E415-K417 WeakPolarHBondContact OE2-CE 3.28Å; E415-K417 IonicContact OE2-NZ 2.99Å; E415-K417 PolarHBondContact OE2-NZ 3.24Å; E415-K417 VanDerWaalsContact OE2-NZ 3.12Å
418	S	32.8	Very low	31.8	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	79%	0.787	S	S	*	*			trans	-170.5	158.7	144.1	43.4	0	0	0	0	112.6
419	S	29.8	Very low	31.5	Very low	96 Å²	96	145.9 Å²	145.9	67%	0.671	80%	0.795	S	S	*	*			trans	-112.9	166.6	-152.4	-52.3	0	0	0	0	115.3
420	H	32.3	Very low	31.3	Very low	175 Å²	175	147.2 Å²	147.2	81%	0.81	80%	0.795	S	S	*	*			trans	70.8	116.6	157.3	-47.3	-62.5	0	0	0	119.7
421	K	34.5	Very low	31	Very low	213 Å²	213	146.8 Å²	146.8	93%	0.926	79%	0.794	S	S	*	*				-162.4	167.3	89.2	-106.2	172.2	-178.2	174.8	0	112.4
422	S	28.4	Very low	30.9	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	79%	0.788	S	S	*	*			trans	-110.3	155.8	-169.7	50.9	0	0	0	0	113
423	V	33	Very low	30.8	Very low	149 Å²	149	147.6 Å²	147.6	90%	0.903	79%	0.794	S	S	*	*			trans	169.2	138.7	130.4	153.7	0	0	0	0	107.1
424	G	28.5	Very low	30.6	Very low	68 Å²	68	149.6 Å²	149.6	70%	0.701	80%	0.796	S	S	*	*			trans	-143.6	-174	-178.1	0	0	0	0	0	112.8
425	R	32.2	Very low	30.2	Very low	256 Å²	256	147.9 Å²	147.9	97%	0.966	80%	0.798	S	S	*	*			trans	-139.1	150.3	169.4	-88	-179.5	179.2	158.8	1.8	111.5
426	K	30.2	Very low	30	Very low	197 Å²	197	149.4 Å²	149.4	86%	0.857	81%	0.806	S	S	*	*			trans	-81.7	155.2	178.4	-56.8	172.8	179.1	175.9	0	110.6
427	L	30.4	Very low	30.1	Very low	176 Å²	176	150.9 Å²	150.9	92%	0.921	80%	0.801	S	S	*	*				-161	178.3	107	-98.2	163.2	0	0	0	109.4
428	S	28.7	Very low	30.1	Very low	100 Å²	100	150.8 Å²	150.8	70%	0.699	81%	0.807	S	S	*	*			trans	-156.7	177.9	-153.2	-158.8	0	0	0	0	113.3
429	I	29.5	Very low	29.7	Very low	138 Å²	138	153 Å²	153	71%	0.708	80%	0.804	S	S	*	*			trans	74.5	134.1	158.7	-72.4	164.8	0	0	0	114.7
430	K	27.8	Very low	29.6	Very low	162 Å²	162	159.3 Å²	159.3	70%	0.704	81%	0.813	S	S	*	*			cis	-167	169.9	-2.2	-120.3	-179.8	-161.8	177.9	0	113.4
431	N	29.3	Very low	29.2	Very low	142 Å²	142	158.8 Å²	158.8	76%	0.759	81%	0.811	S	S	*	*			trans	77	122.1	146.7	-67.5	1.2	0	0	0	122.9
432	E	27.4	Very low	28.7	Very low	152 Å²	152	154.2 Å²	154.2	71%	0.71	80%	0.801	S	S	*	*			trans	-83.4	161	146.1	-149.7	-174.5	-119.5	0	0	109.3
433	P	31.4	Very low	28.4	Very low	126 Å²	126	154.9 Å²	154.9	82%	0.818	80%	0.801	S	S	*	*				-149	-175.5	101.9	38.9	-20.9	0	0	0	115.5
434	K	25.6	Very low	28.2	Very low	185 Å²	185	154 Å²	154	80%	0.804	80%	0.798	S	S	*	*			trans	-103	158.3	-160.3	-52.1	167.1	-177.3	175.2	0	115.6
435	S	29.4	Very low	28.1	Very low	125 Å²	125	156.9 Å²	156.9	87%	0.874	80%	0.801	S	S	*	*			trans	-154.9	163.7	151.7	57	0	0	0	0	111.9
436	E	26	Very low	27.6	Very low	195 Å²	195	152.6 Å²	152.6	91%	0.911	80%	0.796	S	S	*	*			trans	-114.6	178.5	-161.3	-101.6	-160.4	172.4	0	0	115.5
437	P	34.6	Very low	27.5	Very low	110 Å²	110	150.2 Å²	150.2	71%	0.714	79%	0.791	S	S	*	*			trans	-109.4	171.6	-147.6	42.4	-38.8	0	0	0	117.4
438	I	30.1	Very low	27.1	Very low	171 Å²	171	147.2 Å²	147.2	88%	0.877	79%	0.785	S	S	*	*			trans	-133.7	151.8	167.4	-63.3	-176.5	0	0	0	111.3
439	Q	24.8	Very low	27	Very low	170 Å²	170	149 Å²	149	79%	0.794	79%	0.792	S	S	*	*			trans	-87	158.8	-173.4	-52.9	161.1	-12.8	0	0	113.9
440	R	27.6	Very low	26.7	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	80%	0.796	S	S	*	*				-177.4	163.3	118.6	-99.1	164.1	-165	-149.6	3.1	116.5
441	Q	24.2	Very low	26.7	Very low	164 Å²	164	146.8 Å²	146.8	77%	0.766	81%	0.807	S	S	*	*			trans	-45.8	164.3	167.4	-67.2	153.9	-23.8	0	0	114.8
442	T	24.1	Very low	26.6	Very low	117 Å²	117	145.9 Å²	145.9	72%	0.718	80%	0.802	S	S	*	*			cis	-166.7	162.8	5.4	9.5	0	0	0	0	112.2
443	T	22.6	Very low	26.6	Very low	122 Å²	122	146 Å²	146	75%	0.748	80%	0.801	S	S	*	*			trans	46.2	122.7	151.3	55.5	0	0	0	0	122.1
444	P	29	Very low	26.6	Very low	129 Å²	129	148 Å²	148	84%	0.838	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.6	140.5	160.6	35.7	-29.9	0	0	0	113.3
445	V	25	Very low	26.7	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-102.5	145.7	169.8	172.8	0	0	0	0	109.7
446	I	23.1	Very low	26.4	Very low	166 Å²	166	146.9 Å²	146.9	85%	0.851	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-85.2	122	178.9	-58.1	170.5	0	0	0	110
447	I	26.7	Very low	26.3	Very low	148 Å²	148	146.5 Å²	146.5	76%	0.759	79%	0.792	S	S	*	*			trans	-132	129.7	162.4	-62.9	-177.9	0	0	0	108.9	T449	I447-T449 HydrophobicContact CG2-CG2 4.49Å
448	S	21.8	Very low	26.1	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	80%	0.8	S	S	*	*			trans	-91.2	146.3	168.9	49.5	0	0	0	0	110.5
449	T	28.1	Very low	25.9	Very low	137 Å²	137	143.6 Å²	143.6	84%	0.84	80%	0.796	S	S	*	*			trans	-133.9	147	166.9	52.4	0	0	0	0	110.7	I447	I447-T449 HydrophobicContact CG2-CG2 4.49Å
450	S	23	Very low	25.9	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	80%	0.799	S	S	*	*			trans	-142.3	130.1	167.5	67.3	0	0	0	0	108.7
451	C	27.6	Very low	25.9	Very low	140 Å²	140	140 Å²	140	95%	0.946	80%	0.799	S	S	*	*			trans	-150.8	152.5	163.1	-94.4	0	0	0	0	109.1
452	D	25.8	Very low	26	Very low	123 Å²	123	140.3 Å²	140.3	66%	0.658	80%	0.8	S	S	*	*			trans	-157	146.5	-177.8	175.5	31.8	0	0	0	109.9
453	K	29.1	Very low	26	Very low	156 Å²	156	143 Å²	143	68%	0.678	81%	0.807	S	S	*	*			trans	71.3	146.5	-174.4	-59.7	130	-179.3	140.1	0	114.8
454	H	30.6	Very low	26.1	Very low	167 Å²	167	143.5 Å²	143.5	77%	0.773	81%	0.805	S	S	*	*			cis	-127.4	144.8	27.2	-89	-124.3	0	0	0	116.1
455	K	28.2	Very low	25.9	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	80%	0.804	S	S	*	*				22.9	145.7	129.8	-70.5	-176.4	176.4	-174.3	0	119.9
456	S	23	Very low	25.9	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	80%	0.803	S	S	*	*			cis	-172.6	177.9	4.8	40.8	0	0	0	0	112.6
457	M	23.7	Very low	25.9	Very low	186 Å²	186	145.4 Å²	145.4	92%	0.916	80%	0.801	S	S	*	*			trans	91.2	86.4	166.1	-61.9	-178.2	63	0	0	118.6
458	A	29.5	Very low	26.1	Very low	108 Å²	108	143.2 Å²	143.2	89%	0.893	80%	0.795	S	S	*	*			trans	-154.1	150.5	134.2	0	0	0	0	0	108.1
459	S	26.8	Very low	26.4	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	80%	0.798	S	S	*	*			trans	-103.5	145	179.9	53	0	0	0	0	111.8
460	N	24.1	Very low	26.6	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	78%	0.784	S	S	*	*			trans	10.5	113.2	164.1	-63.6	-0.8	0	0	0	117.5
461	D	28.4	Very low	27.3	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	77%	0.774	S	S	*	*			trans	-141.4	165	136	-128	-34.9	0	0	0	111.5
462	Q	25.4	Very low	27.9	Very low	171 Å²	171	138.9 Å²	138.9	80%	0.799	75%	0.754	S	S	*	*			trans	-76.9	134	-164.1	-60.4	175.3	-3.3	0	0	113.4
463	M	24.3	Very low	28.4	Very low	174 Å²	174	138 Å²	138	86%	0.857	75%	0.749	S	S	*	*			trans	-130.6	113.3	163	-111.6	-66	-178.7	0	0	109.7
464	N	25.2	Very low	28.7	Very low	132 Å²	132	139.8 Å²	139.8	71%	0.706	75%	0.753	S	S	*	*			trans	-74.3	144.9	179.2	-72.5	-53.8	0	0	0	110.8	I466	N464-I466 PolarHBondContact O-N 3.06Å; N464-I466 VanDerWaalsContact O-N 3.08Å
465	L	23.9	Very low	29.1	Very low	156 Å²	156	137.7 Å²	137.7	82%	0.817	74%	0.743	S	S	*	*			trans	-67.5	108.3	168.4	-82.5	82	0	0	0	109.4	I467	L465-I467 HydrophobicContact CB-CG1 4.46Å; L465-I467 PolarHBondContact O-N 3.19Å
466	I	24.7	Very low	29.4	Very low	149 Å²	149	132.2 Å²	132.2	76%	0.764	73%	0.725	S	S	*	*			trans	-73.6	95.1	161.9	-59.8	178.3	0	0	0	107.3	N464 T468	N464-I466 PolarHBondContact O-N 3.06Å; N464-I466 VanDerWaalsContact O-N 3.08Å; I466-T468 PolarHBondContact O-N 2.68Å
467	I	24.8	Very low	30	Very low	159 Å²	159	131.6 Å²	131.6	82%	0.815	71%	0.713	S	S	*	*			trans	-76.9	107.5	165	-58.9	176.4	0	0	0	106.5	L465	L465-I467 HydrophobicContact CB-CG1 4.46Å; L465-I467 PolarHBondContact O-N 3.19Å
468	T	30.5	Very low	30.6	Very low	102 Å²	102	128.1 Å²	128.1	63%	0.626	69%	0.694	S	S	*	*			trans	-121.1	148.2	173.1	-175.1	0	0	0	0	110.6	I466	I466-T468 PolarHBondContact O-N 2.68Å
469	S	27.1	Very low	30.8	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	68%	0.677	S	S	*	*			trans	-116.4	55.1	-172.4	58.5	0	0	0	0	111.1
470	D	33.8	Very low	31.1	Very low	100 Å²	100	126.7 Å²	126.7	54%	0.535	66%	0.662	S	S	.	*			trans	-106.8	124.8	-173.2	-162.5	-39.6	0	0	0	111.5	D472	D470-D472 PolarHBondContact OD1-N 2.91Å; D470-D472 VanDerWaalsContact OD1-N 3.09Å
471	P	37.1	Very low	31.5	Very low	90 Å²	90	126.3 Å²	126.3	58%	0.584	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-28.9	179.4	-21.1	34.2	0	0	0	115.5	L473	P471-L473 VanDerWaalsContact C-N 3.26Å; P471-L473 PolarHBondContact O-N 2.88Å
472	D	39.1	Very low	31.6	Very low	101 Å²	101	125 Å²	125	54%	0.54	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	1.5	-161.2	-73.3	-10.3	0	0	0	114.2	D470 Y474 Q475 T476	D470-D472 PolarHBondContact OD1-N 2.91Å; D470-D472 VanDerWaalsContact OD1-N 3.09Å; D472-Y474 PolarHBondContact O-N 2.99Å; D472-Q475 WeakPolarHBondContact O-CB 3.35Å; D472-Q475 PolarHBondContact O-N 2.95Å; D472-T476 PolarHBondContact O-N 2.82Å; D472-T476 VanDerWaalsContact O-N 3.09Å; D472-T476 PolarHBondContact O-OG1 2.92Å
473	L	37.7	Very low	31.8	Very low	105 Å²	105	121.4 Å²	121.4	55%	0.55	64%	0.637	S	S	.	*	H	α-helix	trans	-56.4	-28.3	-178.5	-172.6	63.2	0	0	0	113.7	P471 Q475 T476 I477	P471-L473 VanDerWaalsContact C-N 3.26Å; P471-L473 PolarHBondContact O-N 2.88Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 2.96Å; L473-T476 PolarHBondContact O-N 2.82Å; L473-I477 HydrophobicContact CD1-CD1 4.37Å; L473-I477 HydrophobicContact CD1-CG1 4.34Å; L473-I477 HydrophobicContact CD2-CD1 4.5Å; L473-I477 HydrophobicContact CG-CD1 3.95Å; L473-I477 HydrophobicContact CG-CG1 4.36Å; L473-I477 WeakPolarHBondContact O-CB 3.39Å; L473-I477 VanDerWaalsContact O-CG1 3.27Å; L473-I477 WeakPolarHBondContact O-CG1 3.47Å; L473-I477 PolarHBondContact O-N 2.74Å
474	Y	35.4	Very low	32	Very low	192 Å²	192	121.8 Å²	121.8	75%	0.753	63%	0.634	S	S	*	*	H	α-helix	trans	-63	-39.5	173.4	-105.3	-81.7	0	0	0	112.3	D472 E478	D472-Y474 PolarHBondContact O-N 2.99Å; Y474-E478 PolarHBondContact O-N 3.03Å; Y474-E478 VanDerWaalsContact O-N 3.12Å
475	Q	37.8	Very low	32	Very low	123 Å²	123	122.9 Å²	122.9	58%	0.575	64%	0.64	S	S	*	*	H	α-helix	trans	-78	-35	-179.8	-156.9	158.9	-5.4	0	0	110.6	D472 L473 E478 Q479	D472-Q475 WeakPolarHBondContact O-CB 3.35Å; D472-Q475 PolarHBondContact O-N 2.95Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 2.96Å; Q475-E478 PolarHBondContact O-N 2.8Å; Q475-Q479 WeakPolarHBondContact O-CB 3.45Å; Q475-Q479 VanDerWaalsContact O-CG 3.3Å; Q475-Q479 WeakPolarHBondContact O-CG 3.47Å; Q475-Q479 PolarHBondContact O-N 2.81Å
476	T	35.6	Very low	32.1	Very low	68 Å²	68	119.9 Å²	119.9	42%	0.417	63%	0.632	S	S	.	*	H	α-helix	trans	-63.8	-40.7	170.7	-46.3	0	0	0	0	112.6	D472 L473 Q479 T480	D472-T476 PolarHBondContact O-N 2.82Å; D472-T476 VanDerWaalsContact O-N 3.09Å; D472-T476 PolarHBondContact O-OG1 2.92Å; L473-T476 PolarHBondContact O-N 2.82Å; T476-Q479 PolarHBondContact O-N 3.47Å; T476-T480 WeakPolarHBondContact O-CB 3.43Å; T476-T480 PolarHBondContact O-N 3.37Å; T476-T480 PolarHBondContact O-OG1 3.35Å
477	I	35.3	Very low	32.3	Very low	92 Å²	92	121.8 Å²	121.8	47%	0.472	63%	0.634	S	S	.	*	H	α-helix	trans	-67	-43	176.1	-71.8	168.7	0	0	0	110.6	L473 Q479 T480 M481	L473-I477 HydrophobicContact CD1-CD1 4.37Å; L473-I477 HydrophobicContact CD1-CG1 4.34Å; L473-I477 HydrophobicContact CD2-CD1 4.5Å; L473-I477 HydrophobicContact CG-CD1 3.95Å; L473-I477 HydrophobicContact CG-CG1 4.36Å; L473-I477 WeakPolarHBondContact O-CB 3.39Å; L473-I477 VanDerWaalsContact O-CG1 3.27Å; L473-I477 WeakPolarHBondContact O-CG1 3.47Å; L473-I477 PolarHBondContact O-N 2.74Å; I477-Q479 VanDerWaalsContact C-N 3.31Å; I477-Q479 PolarHBondContact O-N 2.76Å; I477-T480 PolarHBondContact O-N 2.8Å; I477-M481 WeakPolarHBondContact O-CG 3.42Å; I477-M481 PolarHBondContact O-N 3.45Å
478	E	35.5	Very low	32.3	Very low	112 Å²	112	122.1 Å²	122.1	52%	0.523	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-34.4	176.8	-157.1	-168.7	140.3	0	0	112.4	Y474 Q475 K482	Y474-E478 PolarHBondContact O-N 3.03Å; Y474-E478 VanDerWaalsContact O-N 3.12Å; Q475-E478 PolarHBondContact O-N 2.8Å; E478-K482 WeakPolarHBondContact O-CD 3.45Å; E478-K482 VanDerWaalsContact O-CG 3.28Å; E478-K482 WeakPolarHBondContact O-CG 3.36Å; E478-K482 PolarHBondContact O-N 2.66Å; E478-K482 WeakPolarHBondContact OE1-CE 3.43Å; E478-K482 IonicContact OE1-NZ 2.76Å; E478-K482 PolarHBondContact OE1-NZ 3.48Å
479	Q	33.7	Very low	32.2	Very low	114 Å²	114	124.2 Å²	124.2	53%	0.533	64%	0.644	S	S	.	*	H	α-helix	trans	-72.4	-41.9	172.9	-74.5	174.9	-8.1	0	0	112.3	Q475 T476 I477 M481 K482 C483	Q475-Q479 WeakPolarHBondContact O-CB 3.45Å; Q475-Q479 VanDerWaalsContact O-CG 3.3Å; Q475-Q479 WeakPolarHBondContact O-CG 3.47Å; Q475-Q479 PolarHBondContact O-N 2.81Å; T476-Q479 PolarHBondContact O-N 3.47Å; I477-Q479 VanDerWaalsContact C-N 3.31Å; I477-Q479 PolarHBondContact O-N 2.76Å; Q479-M481 VanDerWaalsContact C-N 3.34Å; Q479-M481 PolarHBondContact O-N 3.16Å; Q479-K482 CarbonylContact O-C 3.48Å; Q479-K482 WeakPolarHBondContact O-CA 3.31Å; Q479-K482 WeakPolarHBondContact O-CB 3.24Å; Q479-K482 PolarHBondContact O-N 2.88Å; Q479-C483 PolarHBondContact O-N 3.05Å; Q479-C483 VanDerWaalsContact O-N 3.1Å; Q479-C483 PolarHBondContact O-SG 3.13Å
480	T	33.3	Very low	32.1	Very low	76 Å²	76	123.7 Å²	123.7	47%	0.466	64%	0.64	S	S	.	*	H	α-helix	trans	-65.8	-37.6	179.7	-53.4	0	0	0	0	111.4	T476 I477 K482 C483	T476-T480 WeakPolarHBondContact O-CB 3.43Å; T476-T480 PolarHBondContact O-N 3.37Å; T476-T480 PolarHBondContact O-OG1 3.35Å; I477-T480 PolarHBondContact O-N 2.8Å; T480-K482 PolarHBondContact O-N 3.36Å; T480-C483 PolarHBondContact O-N 2.99Å; T480-C483 VanDerWaalsContact O-N 3.13Å
481	M	32.5	Very low	31.8	Very low	154 Å²	154	125.2 Å²	125.2	76%	0.759	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-12.7	171	-67.3	-163.1	75.5	0	0	113.9	I477 Q479	I477-M481 WeakPolarHBondContact O-CG 3.42Å; I477-M481 PolarHBondContact O-N 3.45Å; Q479-M481 VanDerWaalsContact C-N 3.34Å; Q479-M481 PolarHBondContact O-N 3.16Å
482	K	31.9	Very low	31.2	Very low	134 Å²	134	127 Å²	127	58%	0.583	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-0.8	169.3	-72.1	171.2	-174.2	172.2	0	113.4	E478 Q479 T480	E478-K482 WeakPolarHBondContact O-CD 3.45Å; E478-K482 VanDerWaalsContact O-CG 3.28Å; E478-K482 WeakPolarHBondContact O-CG 3.36Å; E478-K482 PolarHBondContact O-N 2.66Å; E478-K482 WeakPolarHBondContact OE1-CE 3.43Å; E478-K482 IonicContact OE1-NZ 2.76Å; E478-K482 PolarHBondContact OE1-NZ 3.48Å; Q479-K482 CarbonylContact O-C 3.48Å; Q479-K482 WeakPolarHBondContact O-CA 3.31Å; Q479-K482 WeakPolarHBondContact O-CB 3.24Å; Q479-K482 PolarHBondContact O-N 2.88Å; T480-K482 PolarHBondContact O-N 3.36Å
483	C	27.7	Very low	30.6	Very low	95 Å²	95	127.9 Å²	127.9	64%	0.642	68%	0.681	S	S	*	*	S	Bend	trans	-101.5	8.3	179.7	-71.9	0	0	0	0	114.6	Q479 T480	Q479-C483 PolarHBondContact O-N 3.05Å; Q479-C483 VanDerWaalsContact O-N 3.1Å; Q479-C483 PolarHBondContact O-SG 3.13Å; T480-C483 PolarHBondContact O-N 2.99Å; T480-C483 VanDerWaalsContact O-N 3.13Å
484	F	28.3	Very low	30.2	Very low	181 Å²	181	126.2 Å²	126.2	79%	0.794	68%	0.682	S	S	*	*	S	Bend	trans	-107	-1.5	176.5	-93.7	-79	0	0	0	115.5
485	D	26.8	Very low	29.9	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	68%	0.683	S	S	*	*	S	Bend	trans	-115.7	62.4	172.4	-81.8	-50.5	0	0	0	111.4
486	S	25.1	Very low	29.5	Very low	93 Å²	93	130.6 Å²	130.6	65%	0.65	69%	0.693	S	S	*	*			trans	-172.2	106.9	156.4	38.9	0	0	0	0	114
487	K	29.5	Very low	29.3	Very low	188 Å²	188	134.8 Å²	134.8	82%	0.817	71%	0.712	S	S	*	*				176.8	110.1	127.4	-98.2	159.7	-173.8	173.8	0	112	I489	K487-I489 PolarHBondContact O-N 2.67Å
488	D	23.9	Very low	29	Very low	166 Å²	166	133.2 Å²	133.2	89%	0.888	72%	0.719	S	S	*	*			trans	-64.1	124.9	146.7	-68.5	-70.7	0	0	0	108.9
489	I	29.9	Very low	28.7	Very low	147 Å²	147	133.2 Å²	133.2	75%	0.754	73%	0.73	S	S	*	*			trans	-134.3	111.9	152.2	-62	-175.9	0	0	0	107.2	K487	K487-I489 PolarHBondContact O-N 2.67Å
490	S	23.6	Very low	28.6	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	74%	0.74	S	S	*	*			trans	-85.2	136.1	168.6	49.1	0	0	0	0	110.4
491	C	27.5	Very low	28.4	Very low	131 Å²	131	136.3 Å²	136.3	89%	0.885	75%	0.751	S	S	*	*			trans	-158.8	162.9	153.2	-103	0	0	0	0	110.4
492	T	24.6	Very low	28.3	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	75%	0.749	S	S	*	*			trans	-122.3	152.7	-158.1	40.5	0	0	0	0	113.5
493	S	26.8	Very low	28.2	Very low	121 Å²	121	134 Å²	134	85%	0.846	76%	0.757	S	S	*	*			trans	71.3	158.2	162.3	86.3	0	0	0	0	116.1
494	A	28.6	Very low	28.3	Very low	69 Å²	69	135 Å²	135	57%	0.57	76%	0.76	S	S	*	*			cis	-153.1	-178.1	6.8	0	0	0	0	0	112.4
495	Y	30.5	Very low	28.2	Very low	198 Å²	198	132.1 Å²	132.1	78%	0.776	76%	0.758	S	S	*	*			trans	78.1	114.7	172	-59.9	-84.2	0	0	0	116
496	R	28.4	Very low	28.4	Very low	210 Å²	210	130.4 Å²	130.4	79%	0.792	75%	0.753	S	S	*	*				74.8	135.3	63.2	-76	-169.8	177.9	-177.4	1.1	111.9
497	L	31.5	Very low	28.6	Very low	156 Å²	156	131.6 Å²	131.6	82%	0.817	76%	0.757	S	S	*	*			cis	-154.3	163.9	-1.3	-94.8	151.5	0	0	0	106.6
498	G	30.1	Very low	28.6	Very low	59 Å²	59	128.4 Å²	128.4	61%	0.608	75%	0.753	S	S	*	*			cis	172.4	177	-2.3	0	0	0	0	0	110.8
499	C	28.8	Very low	28.9	Very low	112 Å²	112	126 Å²	126	76%	0.757	75%	0.745	S	S	*	*			trans	62.7	142.1	157.6	-57.5	0	0	0	0	120.4
500	D	30.4	Very low	28.9	Very low	140 Å²	140	126 Å²	126	75%	0.749	75%	0.746	S	S	*	*			cis	-174.3	-170.2	-12.1	-99.9	-26.6	0	0	0	108.1
501	V	29.5	Very low	29.1	Very low	115 Å²	115	125.8 Å²	125.8	70%	0.697	74%	0.744	S	S	*	*				-157.9	179.3	-65	133.8	0	0	0	0	107.9
502	T	31.7	Very low	29.2	Very low	118 Å²	118	125.5 Å²	125.5	72%	0.724	74%	0.739	S	S	*	*			trans	79.6	130	-176.8	70.8	0	0	0	0	115.5
503	T	28.4	Very low	29.2	Very low	121 Å²	121	128.7 Å²	128.7	74%	0.742	74%	0.742	S	S	*	*			cis	75.9	134.2	44.1	68.1	0	0	0	0	113.6
504	T	30	Very low	29.4	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	74%	0.744	S	S	*	*			cis	-162.8	148.1	26.7	-16.8	0	0	0	0	114
505	T	26.9	Very low	29.2	Very low	121 Å²	121	135 Å²	135	74%	0.742	75%	0.754	S	S	*	*			trans	41	155.9	147.2	47.6	0	0	0	0	127.5
506	T	30.2	Very low	29	Very low	119 Å²	119	133.8 Å²	133.8	73%	0.73	76%	0.76	S	S	*	*			trans	87.7	97.4	146.6	31.3	0	0	0	0	124.7
507	T	29.1	Very low	29	Very low	119 Å²	119	129.8 Å²	129.8	73%	0.73	76%	0.755	S	S	*	*				59.9	134.7	125.8	48.9	0	0	0	0	126.6
508	T	29.5	Very low	28.7	Very low	121 Å²	121	129.3 Å²	129.3	74%	0.742	75%	0.753	S	S	*	*			trans	87	112.6	141.7	40.2	0	0	0	0	125
509	T	30.6	Very low	28.5	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	76%	0.761	S	S	*	*			trans	73.3	110	137.1	52.3	0	0	0	0	125.3
510	N	30	Very low	28.4	Very low	147 Å²	147	137 Å²	137	79%	0.786	77%	0.77	S	S	*	*			trans	70.2	113.1	130.6	-62.3	-2.9	0	0	0	123.1
511	S	28.5	Very low	28.2	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	77%	0.773	S	S	*	*				149	118.9	115.8	-64.1	0	0	0	0	116.5
512	T	29	Very low	28.2	Very low	125 Å²	125	137.1 Å²	137.1	77%	0.767	77%	0.773	S	S	*	*			trans	65.1	110.4	149.1	49.9	0	0	0	0	124.2
513	K	25.7	Very low	27.8	Very low	194 Å²	194	137.1 Å²	137.1	84%	0.843	78%	0.776	S	S	*	*			trans	69.1	112.3	133.5	-66.3	-177.7	176.9	177.4	0	121.8
514	I	29.4	Very low	27.8	Very low	172 Å²	172	138.9 Å²	138.9	88%	0.882	78%	0.781	S	S	*	*				-155	158	116.7	-99.3	155.5	0	0	0	107.7
515	L	24.2	Very low	27.4	Very low	150 Å²	150	140.8 Å²	140.8	79%	0.785	78%	0.784	S	S	*	*			trans	-89.1	143.5	-176.1	-68.9	85.3	0	0	0	113.1
516	L	27.9	Very low	27.4	Very low	174 Å²	174	142.7 Å²	142.7	91%	0.911	78%	0.784	S	S	*	*			trans	-153.9	169.4	135.7	-139.9	71	0	0	0	111
517	N	28	Very low	27.1	Very low	126 Å²	126	148.2 Å²	148.2	67%	0.674	79%	0.792	S	S	*	*			trans	-96.4	153.4	-157	-61.2	-7	0	0	0	115.9
518	D	24.7	Very low	26.8	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	80%	0.798	S	S	*	*			trans	61.7	157.1	140.9	-65.4	-35	0	0	0	122.8
519	C	25.3	Very low	26.6	Very low	117 Å²	117	156 Å²	156	79%	0.791	81%	0.805	S	S	*	*			trans	61.6	82.7	164	-72.1	0	0	0	0	118.6
520	K	26.9	Very low	26.2	Very low	216 Å²	216	154.4 Å²	154.4	94%	0.939	80%	0.804	S	S	*	*			trans	-116.3	92.3	142	-81	-170.6	175.7	-179.3	0	111.3
521	I	27.3	Very low	26	Very low	156 Å²	156	157.4 Å²	157.4	80%	0.8	81%	0.81	S	S	*	*			trans	-83.7	112.5	156.2	-64	173.1	0	0	0	106.2
522	S	28.6	Very low	26	Very low	101 Å²	101	157.6 Å²	157.6	71%	0.706	81%	0.811	S	S	*	*			trans	-87.3	114.6	171.3	58.1	0	0	0	0	110.2
523	C	24.8	Very low	25.8	Very low	117 Å²	117	158.5 Å²	158.5	79%	0.791	81%	0.811	S	S	*	*			trans	-62.3	137.8	162.1	-59.4	0	0	0	0	109.4
524	N	27	Very low	26	Very low	159 Å²	159	156.6 Å²	156.6	85%	0.85	81%	0.81	S	S	*	*			trans	-135.9	112.7	160.4	-105.2	-32.8	0	0	0	108.2
525	M	22.8	Very low	25.9	Very low	156 Å²	156	151.7 Å²	151.7	77%	0.768	80%	0.802	S	S	*	*			trans	-120.3	145.3	173.2	-103.8	-73.9	-105.3	0	0	108.5
526	H	25.3	Very low	26.1	Very low	161 Å²	161	152.6 Å²	152.6	75%	0.745	81%	0.807	S	S	*	*			trans	66.6	101.3	167	-70.3	27	0	0	0	117.8
527	R	24.1	Very low	26	Very low	235 Å²	235	148.2 Å²	148.2	89%	0.887	80%	0.796	S	S	*	*				-147	79	120.7	-140.9	175.4	-166.2	-178.8	4.1	112.7
528	I	23.8	Very low	26	Very low	168 Å²	168	150.8 Å²	150.8	86%	0.862	80%	0.804	S	S	*	*			trans	-100.5	127.6	158.1	-62.1	177.9	0	0	0	106.9
529	R	24.1	Very low	26.1	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	81%	0.806	S	S	*	*			trans	-144.4	125.7	172.9	-156.6	-178.6	-161.2	-172.9	5.7	107.7
530	A	23.7	Very low	26.3	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	80%	0.802	S	S	*	*			trans	-124.7	126.8	-173.1	0	0	0	0	0	111.8
531	K	25.2	Very low	26.3	Very low	209 Å²	209	147.2 Å²	147.2	91%	0.909	80%	0.798	S	S	*	*			trans	55.3	116.2	156.1	-58.4	-176	178.1	-174.7	0	119.1
532	S	27.5	Very low	26.4	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	79%	0.792	S	S	*	*				-153.5	124.7	120.1	-161.1	0	0	0	0	112
533	L	26.2	Very low	26.3	Very low	145 Å²	145	145.6 Å²	145.6	76%	0.759	79%	0.791	S	S	*	*			trans	29.9	137.8	149.5	-68.5	161.3	0	0	0	123.8
534	N	28.8	Very low	26.4	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	79%	0.788	S	S	*	*			trans	79.9	119	146.2	-62.8	-1.3	0	0	0	121.9
535	G	28	Very low	26.3	Very low	69 Å²	69	147.2 Å²	147.2	71%	0.711	78%	0.782	S	S	*	*			trans	120.4	102.6	136.5	0	0	0	0	0	118.1
536	N	28.7	Very low	26.1	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	78%	0.782	S	S	*	*			trans	32.2	146.4	138.8	-56	7.6	0	0	0	121
537	A	25.6	Very low	26	Very low	81 Å²	81	142 Å²	142	67%	0.669	78%	0.779	S	S	*	*			cis	-170.4	-176	-11.8	0	0	0	0	0	108.6
538	E	27.3	Very low	25.8	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	77%	0.767	S	S	*	*			trans	68.8	106.1	169.4	-59.5	176	-164.3	0	0	115.5
539	S	27	Very low	25.7	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	76%	0.763	S	S	*	*				101.4	143.1	90	74.3	0	0	0	0	110.4
540	S	30.4	Very low	25.5	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	76%	0.76	S	S	*	*			cis	-141.1	165.3	10.8	57.9	0	0	0	0	113
541	E	27.4	Very low	25.4	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	77%	0.767	S	S	*	*			trans	19.3	139.9	141.1	-67.9	167.1	-177.8	0	0	120.7
542	S	28.9	Very low	25.3	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	77%	0.766	S	S	*	*			cis	-164.2	143.8	5.5	55.1	0	0	0	0	112.6
543	N	26.7	Very low	25.2	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	76%	0.763	S	S	*	*			trans	53.9	149.2	144.8	-60.8	46.8	0	0	0	120.8
544	E	25.3	Very low	25.1	Very low	155 Å²	155	135.2 Å²	135.2	72%	0.724	76%	0.757	S	S	*	*			cis	-178.3	157.7	-18.2	-107.4	162.5	-177.5	0	0	105.1
545	E	24.7	Very low	25	Very low	155 Å²	155	135.8 Å²	135.8	72%	0.724	76%	0.755	S	S	*	*			cis	-154	161	-31.4	-134.8	-172.3	-168.7	0	0	108.2	I547	E545-I547 HydrophobicContact CG-CG1 4.39Å; E545-I547 VanDerWaalsContact OE2-CD1 3.24Å; E545-I547 WeakPolarHBondContact OE2-CD1 3.28Å
546	G	19.4	Very low	24.9	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	76%	0.757	S	S	*	*			trans	-149.2	79	-179.5	0	0	0	0	0	111.9
547	I	22.5	Very low	24.8	Very low	133 Å²	133	139.2 Å²	139.2	68%	0.682	75%	0.752	S	S	*	*			trans	-93.9	131.3	-175.2	-62	-177.5	0	0	0	112.2	E545	E545-I547 HydrophobicContact CG-CG1 4.39Å; E545-I547 VanDerWaalsContact OE2-CD1 3.24Å; E545-I547 WeakPolarHBondContact OE2-CD1 3.28Å
548	I	20.1	Very low	24.9	Very low	123 Å²	123	141.9 Å²	141.9	63%	0.631	75%	0.754	S	S	*	*			trans	-139.7	135.2	159.3	-16.2	176.3	0	0	0	103.1
549	Y	21.8	Very low	25.1	Very low	200 Å²	200	142.1 Å²	142.1	78%	0.784	75%	0.752	S	S	*	*				-164.6	175.9	54.3	-80.2	-85	0	0	0	113.1
550	S	20.7	Very low	25.2	Very low	119 Å²	119	142.6 Å²	142.6	83%	0.832	75%	0.746	S	S	*	*			trans	98	145.6	150.3	-57.9	0	0	0	0	117.4
551	L	20.7	Very low	25.2	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	75%	0.746	S	S	*	*			trans	-98.5	143.1	179	-56.8	95.1	0	0	0	110.2
552	E	23.7	Very low	25.3	Very low	194 Å²	194	143 Å²	143	91%	0.907	74%	0.74	S	S	*	*			trans	-154.1	136.3	138.1	-116.3	161.6	-159.4	0	0	109.8
553	N	24.7	Very low	25.4	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	75%	0.745	S	S	*	*			trans	-95.4	149.4	165.2	-79	64.6	0	0	0	106.6
554	D	25.5	Very low	25.5	Very low	120 Å²	120	143.7 Å²	143.7	64%	0.642	75%	0.745	S	S	*	*			cis	-160.4	161.1	2.4	-111.9	-42.3	0	0	0	108.3
555	Q	25.6	Very low	25.7	Very low	165 Å²	165	142.4 Å²	142.4	77%	0.771	74%	0.743	S	S	*	*			trans	67.5	159.2	159.3	-72.7	166.2	1.1	0	0	117.2
556	D	25.7	Very low	25.9	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	74%	0.744	S	S	*	*			cis	-155.5	160.3	12.8	-136.5	-7.8	0	0	0	111.5
557	E	26.8	Very low	26.2	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	73%	0.733	S	S	*	*			trans	-172.4	156.7	134	-120.5	-169.9	-168	0	0	116.1
558	L	29.2	Very low	26.4	Very low	136 Å²	136	144.3 Å²	144.3	71%	0.712	74%	0.739	S	S	*	*			trans	62	100.7	167.3	-65	163.2	0	0	0	116.5
559	K	29.7	Very low	26.7	Very low	186 Å²	186	145 Å²	145	81%	0.809	74%	0.744	S	S	*	*			cis	-154.3	121.3	42.4	-76.4	176.4	175.1	172.3	0	115.4
560	N	29.9	Very low	26.9	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	74%	0.742	S	S	*	*			trans	54.2	136.1	130.8	-61.5	4.5	0	0	0	123.3
561	N	29.9	Very low	27.1	Very low	132 Å²	132	142.5 Å²	142.5	71%	0.706	74%	0.739	S	S	*	*			trans	81.5	131.6	157.5	-57.6	-21.4	0	0	0	117.4
562	Q	30	Very low	27.2	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	73%	0.734	S	S	*	*			cis	-165.8	151.9	-4.8	-117.9	177.1	12.9	0	0	110.3
563	V	30.2	Very low	27.3	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	73%	0.726	S	S	*	*			trans	64.4	127	142.3	168.4	0	0	0	0	117.8
564	V	30.4	Very low	27.3	Very low	110 Å²	110	143.7 Å²	143.7	67%	0.667	73%	0.731	S	S	*	*			cis	-163.4	154.3	3	95.5	0	0	0	0	113.1
565	N	27.9	Very low	27.3	Very low	128 Å²	128	146.1 Å²	146.1	68%	0.684	74%	0.738	S	S	*	*			trans	11.9	154	139.2	-60.9	-4.3	0	0	0	120.4
566	N	28.9	Very low	27.4	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	74%	0.739	S	S	*	*			cis	-171.2	169.1	12.2	-111.9	-12.6	0	0	0	106.3
567	S	26.7	Very low	27.3	Very low	78 Å²	78	146.4 Å²	146.4	55%	0.545	74%	0.739	S	S	.	*			cis	169	151	-11.8	60.4	0	0	0	0	108.7
568	K	26.5	Very low	27.2	Very low	185 Å²	185	145.4 Å²	145.4	80%	0.804	74%	0.739	S	S	*	*			trans	78	149.2	150.5	-71.5	175.3	178.7	178.2	0	123.2
569	N	26.4	Very low	26.9	Very low	139 Å²	139	146.5 Å²	146.5	74%	0.743	74%	0.738	S	S	*	*			trans	75.5	139.8	156.6	-66	-0.4	0	0	0	119
570	T	26.6	Very low	26.6	Very low	121 Å²	121	144.8 Å²	144.8	74%	0.742	73%	0.726	S	S	*	*			cis	-159.7	170.7	-11.1	9.7	0	0	0	0	111.7
571	N	24.4	Very low	26.3	Very low	144 Å²	144	147.8 Å²	147.8	77%	0.77	74%	0.735	S	S	*	*			trans	-43.6	161.1	168.6	-52.9	-41.7	0	0	0	114
572	L	23.3	Very low	26	Very low	136 Å²	136	148.3 Å²	148.3	71%	0.712	73%	0.732	S	S	*	*				-178.6	169.7	52.8	-171.9	57.3	0	0	0	112.4
573	Y	24.6	Very low	25.6	Very low	188 Å²	188	148.6 Å²	148.6	74%	0.737	74%	0.737	S	S	*	*			trans	97.5	123.1	153.6	-82.2	-58.8	0	0	0	123.8
574	K	26.3	Very low	25.3	Very low	181 Å²	181	148.5 Å²	148.5	79%	0.787	73%	0.731	S	S	*	*			trans	91.4	135.8	135.9	-92.4	162.5	-175.7	174.4	0	122.2
575	Q	24.4	Very low	25	Very low	172 Å²	172	150.4 Å²	150.4	80%	0.804	74%	0.737	S	S	*	*			trans	-71.5	145.5	179.3	-57.5	144.3	-59.7	0	0	112.3
576	N	27.7	Very low	24.7	Very low	145 Å²	145	154.2 Å²	154.2	78%	0.775	74%	0.742	S	S	*	*			trans	-166	126.5	141.2	-91.8	-41.3	0	0	0	106.6
577	H	24	Very low	24.5	Very low	166 Å²	166	152.5 Å²	152.5	77%	0.769	75%	0.747	S	S	*	*				69.6	143.1	76.4	-85.4	-71.5	0	0	0	115.2
578	L	24.6	Very low	24.4	Very low	150 Å²	150	156.7 Å²	156.7	79%	0.785	76%	0.758	S	S	*	*			trans	72.5	125.3	-177.6	-62.8	112.4	0	0	0	114.3
579	K	22.7	Very low	24.4	Very low	159 Å²	159	154.8 Å²	154.8	69%	0.691	76%	0.762	S	S	*	*				83.7	122	51.5	-77.7	-175.5	170.6	-172.9	0	113.3
580	R	22.7	Very low	24.4	Very low	150 Å²	150	152.8 Å²	152.8	57%	0.566	77%	0.765	S	S	*	*			trans	46.2	86.1	149.6	-63	-178	175.2	155	-0.7	118.1	F582 D614	R580-F582 HydrophobicContact CB-CD2 4.14Å; R580-D614 IonicContact CZ-OD1 3.8Å; R580-D614 IonicContact NH1-OD1 2.59Å; R580-D614 PolarHBondContact NH1-OD1 3.07Å; R580-D614 IonicContact NH2-OD1 2.66Å; R580-D614 PolarHBondContact NH2-OD1 2.95Å; R580-D614 IonicContact NH2-OD2 2.95Å
581	H	24.6	Very low	24.6	Very low	191 Å²	191	153.6 Å²	153.6	88%	0.884	76%	0.763	S	S	*	*			trans	-103.4	114.4	133.5	-70.5	-93.6	0	0	0	105.6
582	F	23.1	Very low	24.9	Very low	143 Å²	143	150.8 Å²	150.8	63%	0.627	75%	0.753	S	S	*	*			cis	66.8	71.6	25.4	-108.1	-35.3	0	0	0	113.5	R580 I584	R580-F582 HydrophobicContact CB-CD2 4.14Å; F582-I584 HydrophobicContact CD1-CD1 3.87Å; F582-I584 HydrophobicContact CD1-CG1 3.59Å; F582-I584 HydrophobicContact CE1-CD1 3.83Å; F582-I584 HydrophobicContact CE1-CG1 3.76Å; F582-I584 HydrophobicContact CZ-CD1 4.46Å
583	I	22.7	Very low	25.3	Very low	167 Å²	167	151.2 Å²	151.2	86%	0.856	76%	0.756	S	S	*	*			trans	-86.3	96.7	151.1	-59.5	178.3	0	0	0	106.4
584	I	22.8	Very low	25.7	Very low	126 Å²	126	146.6 Å²	146.6	65%	0.646	75%	0.751	S	S	*	*			trans	-85.3	112.4	159.3	-70.3	164.7	0	0	0	105.9	F582	F582-I584 HydrophobicContact CD1-CD1 3.87Å; F582-I584 HydrophobicContact CD1-CG1 3.59Å; F582-I584 HydrophobicContact CE1-CD1 3.83Å; F582-I584 HydrophobicContact CE1-CG1 3.76Å; F582-I584 HydrophobicContact CZ-CD1 4.46Å
585	D	23.6	Very low	26	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	74%	0.737	S	S	*	*			trans	-87.1	149.5	157.9	-162.6	7.9	0	0	0	109.8
586	R	23.3	Very low	26.3	Very low	209 Å²	209	139.3 Å²	139.3	79%	0.789	72%	0.722	S	S	*	*			trans	-91.7	123.2	-162.1	-80.3	173.5	149.2	138.4	-9.6	112.9
587	A	24.7	Very low	26.4	Very low	103 Å²	103	136.2 Å²	136.2	85%	0.851	71%	0.712	S	S	*	*			trans	-130	34.8	161.1	0	0	0	0	0	112.7	T589	A587-T589 PolarHBondContact O-N 2.88Å
588	Q	23.7	Very low	26.6	Very low	167 Å²	167	138 Å²	138	78%	0.78	71%	0.712	S	S	*	*			trans	-81.2	107.6	165.7	-75.2	179.5	-53.7	0	0	110.1
589	T	26.5	Very low	26.9	Very low	145 Å²	145	137.3 Å²	137.3	89%	0.89	71%	0.708	S	S	*	*			trans	-176.8	164.5	145.2	15.6	0	0	0	0	110.7	A587	A587-T589 PolarHBondContact O-N 2.88Å
590	A	26.6	Very low	27.2	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	71%	0.706	S	S	*	*			trans	81.1	45.2	174.9	0	0	0	0	0	118.6
591	I	30.7	Very low	27.3	Very low	137 Å²	137	140.1 Å²	140.1	70%	0.703	72%	0.719	S	S	*	*			trans	-114.2	127.1	137.6	-61	178.6	0	0	0	106.5	L595	I591-L595 HydrophobicContact CG2-CB 4.31Å
592	P	29.5	Very low	27.2	Very low	85 Å²	85	138.6 Å²	138.6	55%	0.552	72%	0.717	S	S	*	*			trans	-72.7	140.8	174.4	-17.7	32.1	0	0	0	112.1	S594 L595	P592-S594 PolarHBondContact O-N 2.9Å; P592-L595 PolarHBondContact O-N 2.86Å
593	D	31.9	Very low	27.3	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-60.7	-18.7	-175.5	-49.6	-61.1	0	0	0	113.8	L595 E596	D593-L595 PolarHBondContact O-N 2.84Å; D593-E596 PolarHBondContact O-N 2.94Å
594	S	32.8	Very low	27.3	Very low	91 Å²	91	137.8 Å²	137.8	64%	0.636	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-64.8	-12.9	174.5	59.5	0	0	0	0	114.6	P592 S597	P592-S594 PolarHBondContact O-N 2.9Å; S594-S597 PolarHBondContact O-OG 2.99Å
595	L	32.6	Very low	27.4	Very low	93 Å²	93	137.9 Å²	137.9	49%	0.487	72%	0.719	S	S	.	*	G	3₁₀ helix	trans	-92.7	-25.4	179.1	-129.7	75.6	0	0	0	114.4	I591 P592 D593 S597 R598	I591-L595 HydrophobicContact CG2-CB 4.31Å; P592-L595 PolarHBondContact O-N 2.86Å; D593-L595 PolarHBondContact O-N 2.84Å; L595-S597 VanDerWaalsContact C-N 3.29Å; L595-S597 PolarHBondContact O-N 3.41Å; L595-R598 PolarHBondContact O-N 2.67Å; L595-R598 VanDerWaalsContact O-N 3.13Å
596	E	31.6	Very low	27.4	Very low	107 Å²	107	138.1 Å²	138.1	50%	0.5	72%	0.719	S	S	.	*	H	α-helix	trans	-64.4	-35.9	-173.1	-161	-166.6	119.1	0	0	112.1	D593 R598 L599 K600	D593-E596 PolarHBondContact O-N 2.94Å; E596-R598 PolarHBondContact O-N 2.9Å; E596-L599 PolarHBondContact O-N 3.3Å; E596-K600 WeakPolarHBondContact OE1-CE 3.29Å; E596-K600 IonicContact OE1-NZ 2.72Å; E596-K600 PolarHBondContact OE1-NZ 3.37Å
597	S	29	Very low	27.4	Very low	80 Å²	80	133.9 Å²	133.9	56%	0.559	72%	0.716	S	S	*	*	H	α-helix	trans	-61.8	-21.9	177.1	63	0	0	0	0	114.1	S594 L595	S594-S597 PolarHBondContact O-OG 2.99Å; L595-S597 VanDerWaalsContact C-N 3.29Å; L595-S597 PolarHBondContact O-N 3.41Å
598	R	28.7	Very low	27.5	Very low	202 Å²	202	134 Å²	134	76%	0.762	70%	0.703	S	S	*	*	H	α-helix	trans	-86.1	-23.1	177.5	-73.8	-179.3	60.6	160.8	-3.2	113.7	L595 E596	L595-R598 PolarHBondContact O-N 2.67Å; L595-R598 VanDerWaalsContact O-N 3.13Å; E596-R598 PolarHBondContact O-N 2.9Å
599	L	30.9	Very low	27.6	Very low	136 Å²	136	136 Å²	136	71%	0.712	71%	0.709	S	S	*	*	H	α-helix	trans	-83.7	-28.9	179.8	-74.7	166.2	0	0	0	112.6	E596 R601	E596-L599 PolarHBondContact O-N 3.3Å; L599-R601 PolarHBondContact O-N 3.05Å
600	K	28.8	Very low	27.6	Very low	149 Å²	149	134.7 Å²	134.7	65%	0.648	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-0.2	-179.6	-74.6	176.1	169.8	168.9	0	115.9	E596	E596-K600 WeakPolarHBondContact OE1-CE 3.29Å; E596-K600 IonicContact OE1-NZ 2.72Å; E596-K600 PolarHBondContact OE1-NZ 3.37Å
601	R	25.9	Very low	27.9	Very low	220 Å²	220	134.2 Å²	134.2	83%	0.83	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-16.5	-179.9	-74.5	-173.9	174.3	167.3	-0.1	115.5	L599	L599-R601 PolarHBondContact O-N 3.05Å
602	N	22.9	Very low	28.1	Very low	158 Å²	158	133.5 Å²	133.5	85%	0.845	69%	0.689	S	S	*	*	S	Bend	trans	-126.7	56.3	-178.7	-72	-4.6	0	0	0	111.4
603	L	24.3	Very low	28.4	Very low	134 Å²	134	139.2 Å²	139.2	70%	0.702	70%	0.7	S	S	*	*			trans	-126.5	106.9	176	-162.9	79	0	0	0	110.9	I605	L603-I605 HydrophobicContact CD2-CG1 4.23Å
604	I	22.8	Very low	28.7	Very low	159 Å²	159	136 Å²	136	82%	0.815	68%	0.683	S	S	*	*			trans	-76.6	119.6	165.4	-62.7	174	0	0	0	107	I606	I604-I606 HydrophobicContact CG2-CG1 4.42Å
605	I	24.1	Very low	29	Very low	129 Å²	129	138.7 Å²	138.7	66%	0.662	69%	0.69	S	S	*	*			trans	-93.9	112.1	177.1	-53.9	178.1	0	0	0	108.2	L603 T607	L603-I605 HydrophobicContact CD2-CG1 4.23Å; I605-T607 HydrophobicContact CG2-CG2 3.76Å
606	I	24.2	Very low	29.4	Very low	154 Å²	154	137 Å²	137	79%	0.79	68%	0.681	S	S	*	*			trans	-93.1	107.6	166.2	-58.9	177.2	0	0	0	107.4	I604	I604-I606 HydrophobicContact CG2-CG1 4.42Å
607	T	24.1	Very low	29.8	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	68%	0.683	S	S	*	*			trans	-93.6	95.6	173.7	53.7	0	0	0	0	111	I605	I605-T607 HydrophobicContact CG2-CG2 3.76Å
608	D	26.6	Very low	30.4	Very low	106 Å²	106	139.2 Å²	139.2	57%	0.567	68%	0.684	S	S	*	*			trans	-104.5	135.4	157.6	-164.2	-29.4	0	0	0	108.9	T610	D608-T610 WeakPolarHBondContact OD1-CB 3.41Å; D608-T610 VanDerWaalsContact OD1-CG2 3.28Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D608-T610 PolarHBondContact OD1-N 2.66Å; D608-T610 PolarHBondContact OD1-OG1 2.99Å; D608-T610 PolarHBondContact OD2-OG1 3.29Å
609	K	25.9	Very low	31.3	Very low	209 Å²	209	132.1 Å²	132.1	91%	0.909	66%	0.661	S	S	*	*	S	Bend	trans	-93.1	11.1	-173.7	-71.2	-176.6	174.7	177.4	0	113.5
610	T	26	Very low	31.9	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	66%	0.66	S	S	*	*			trans	-108.2	-4.5	-165.4	56.6	0	0	0	0	116.2	D608	D608-T610 WeakPolarHBondContact OD1-CB 3.41Å; D608-T610 VanDerWaalsContact OD1-CG2 3.28Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D608-T610 PolarHBondContact OD1-N 2.66Å; D608-T610 PolarHBondContact OD1-OG1 2.99Å; D608-T610 PolarHBondContact OD2-OG1 3.29Å
611	S	33.4	Very low	32.2	Very low	87 Å²	87	129.7 Å²	129.7	61%	0.608	66%	0.655	S	S	*	*			trans	-97.1	123	-175.3	52.3	0	0	0	0	114
612	N	33.5	Very low	32.6	Very low	123 Å²	123	121.9 Å²	121.9	66%	0.658	64%	0.642	S	S	*	*			trans	-85.4	119.3	179.7	-170.5	4	0	0	0	111.1	D614	N612-D614 PolarHBondContact O-N 3.38Å; N612-D614 VanDerWaalsContact O-N 3.13Å
613	W	37.7	Very low	33.1	Very low	204 Å²	204	123 Å²	123	77%	0.773	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-68.5	-12.5	-166.4	-72.3	81	0	0	0	115.8	N615 L616	W613-N615 PolarHBondContact O-N 3.06Å; W613-L616 HydrophobicContact CE3-CD1 4.05Å; W613-L616 HydrophobicContact CZ3-CD1 4.32Å
614	D	37.9	Very low	33.6	Very low	80 Å²	80	118.9 Å²	118.9	43%	0.428	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-71.9	-5.1	-174.8	-83.5	-33.7	0	0	0	115.1	R580 N612	R580-D614 IonicContact CZ-OD1 3.8Å; R580-D614 IonicContact NH1-OD1 2.59Å; R580-D614 PolarHBondContact NH1-OD1 3.07Å; R580-D614 IonicContact NH2-OD1 2.66Å; R580-D614 PolarHBondContact NH2-OD1 2.95Å; R580-D614 IonicContact NH2-OD2 2.95Å; N612-D614 PolarHBondContact O-N 3.38Å; N612-D614 VanDerWaalsContact O-N 3.13Å
615	N	38.6	Very low	34.2	Very low	146 Å²	146	114.8 Å²	114.8	78%	0.781	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-117.6	21.8	-172.1	-83.6	-26.4	0	0	0	115.8	W613	W613-N615 PolarHBondContact O-N 3.06Å
616	L	41	Very low	34.5	Very low	58 Å²	58	113.7 Å²	113.7	30%	0.304	60%	0.602	S	S	.	*			trans	-68.8	132.1	174.9	-81.7	167.9	0	0	0	112.2	W613 Y618 A624	W613-L616 HydrophobicContact CE3-CD1 4.05Å; W613-L616 HydrophobicContact CZ3-CD1 4.32Å; L616-Y618 HydrophobicContact CB-CE2 4.37Å; L616-Y618 WeakPolarHBondContact O-CD2 3.38Å; L616-Y618 PolarHBondContact O-N 3.41Å; L616-Y618 VanDerWaalsContact O-N 3.12Å; L616-A624 HydrophobicContact CD1-CB 4.41Å
617	P	38.8	Very low	34.7	Very low	84 Å²	84	111.4 Å²	111.4	55%	0.545	60%	0.597	S	S	.	*			trans	-74.2	104.5	173.5	29.7	-33	0	0	0	110.8	T625	P617-T625 PolarHBondContact O-N 3.13Å; P617-T625 PolarHBondContact O-OG1 2.82Å
618	Y	41.6	Very low	34.8	Very low	150 Å²	150	112.9 Å²	112.9	59%	0.588	60%	0.599	S	S	*	*	B	Isolated β-bridge	trans	-74.7	138.1	166.4	-64.8	-91	0	0	0	110	L616 G622 R623 A624	L616-Y618 HydrophobicContact CB-CE2 4.37Å; L616-Y618 WeakPolarHBondContact O-CD2 3.38Å; L616-Y618 PolarHBondContact O-N 3.41Å; L616-Y618 VanDerWaalsContact O-N 3.12Å; Y618-G622 WeakPolarHBondContact CD1-O 3.23Å; Y618-R623 CarbonylContact C-O 3.54Å; Y618-R623 WeakPolarHBondContact CA-O 3.33Å; Y618-A624 HydrophobicContact CD1-CB 4.22Å; Y618-A624 HydrophobicContact CE1-CB 4.06Å
619	D	47.7	Very low	34.7	Very low	52 Å²	52	112.6 Å²	112.6	28%	0.278	60%	0.601	S	S	.	*			trans	-71.5	169.5	165.2	71.9	19.5	0	0	0	111.4	T621 G622 R623 T625	D619-T621 PolarHBondContact O-N 2.79Å; D619-T621 VanDerWaalsContact OD1-CA 3.26Å; D619-T621 WeakPolarHBondContact OD1-CA 3.31Å; D619-T621 WeakPolarHBondContact OD1-CB 3.2Å; D619-T621 PolarHBondContact OD1-N 2.92Å; D619-T621 PolarHBondContact OD1-OG1 3.28Å; D619-T621 PolarHBondContact OD2-OG1 2.96Å; D619-G622 PolarHBondContact O-N 2.92Å; D619-G622 PolarHBondContact OD1-N 3.34Å; D619-R623 PolarHBondContact N-O 3.26Å; D619-R623 PolarHBondContact OD1-N 3.04Å; D619-T625 HydrophobicContact CB-CG2 4.1Å
620	H	43.3	Very low	34.6	Very low	149 Å²	149	109.8 Å²	109.8	69%	0.69	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	7.9	177.1	63.1	-86.6	0	0	0	114.1	K157	K157-H620 PolarHBondContact NZ-CE1 3.45Å; K157-H620 VanDerWaalsContact NZ-CE1 3.3Å; K157-H620 PolarHBondContact NZ-NE2 3.18Å
621	T	37	Very low	34.4	Very low	86 Å²	86	113.4 Å²	113.4	53%	0.528	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110	4.8	169.4	79.2	0	0	0	0	112.5	D619	D619-T621 PolarHBondContact O-N 2.79Å; D619-T621 VanDerWaalsContact OD1-CA 3.26Å; D619-T621 WeakPolarHBondContact OD1-CA 3.31Å; D619-T621 WeakPolarHBondContact OD1-CB 3.2Å; D619-T621 PolarHBondContact OD1-N 2.92Å; D619-T621 PolarHBondContact OD1-OG1 3.28Å; D619-T621 PolarHBondContact OD2-OG1 2.96Å
622	G	32.3	Very low	33.9	Very low	55 Å²	55	116.5 Å²	116.5	57%	0.567	60%	0.601	S	S	*	*	S	Bend	trans	81.2	18	180	0	0	0	0	0	114.3	Y618 D619	Y618-G622 WeakPolarHBondContact CD1-O 3.23Å; D619-G622 PolarHBondContact O-N 2.92Å; D619-G622 PolarHBondContact OD1-N 3.34Å
623	R	33.8	Very low	33.5	Very low	181 Å²	181	118 Å²	118	68%	0.683	60%	0.603	S	S	*	*			trans	-104.2	127.7	-179.1	-61	177.9	-179.2	-146.3	-4	111	Y618 D619 T625	Y618-R623 CarbonylContact C-O 3.54Å; Y618-R623 WeakPolarHBondContact CA-O 3.33Å; D619-R623 PolarHBondContact N-O 3.26Å; D619-R623 PolarHBondContact OD1-N 3.04Å; R623-T625 PolarHBondContact O-N 2.89Å
624	A	34.3	Very low	32.9	Very low	48 Å²	48	114.3 Å²	114.3	40%	0.397	60%	0.599	S	S	.	*	B	Isolated β-bridge	trans	-66.2	124.7	172.1	0	0	0	0	0	109.9	L616 Y618	L616-A624 HydrophobicContact CD1-CB 4.41Å; Y618-A624 HydrophobicContact CD1-CB 4.22Å; Y618-A624 HydrophobicContact CE1-CB 4.06Å
625	T	35.8	Very low	32.5	Very low	74 Å²	74	114.1 Å²	114.1	45%	0.454	60%	0.604	S	S	.	*			trans	-103.7	94.4	-176.7	50.2	0	0	0	0	111.4	P617 D619 R623	P617-T625 PolarHBondContact O-N 3.13Å; P617-T625 PolarHBondContact O-OG1 2.82Å; D619-T625 HydrophobicContact CB-CG2 4.1Å; R623-T625 PolarHBondContact O-N 2.89Å
626	V	31	Very low	31.8	Very low	106 Å²	106	116 Å²	116	64%	0.642	61%	0.608	S	S	*	*			trans	-87.8	124.8	171.1	-177	0	0	0	0	109.3	I628	V626-I628 PolarHBondContact O-N 3.47Å
627	P	28.6	Very low	31.4	Very low	106 Å²	106	123.4 Å²	123.4	69%	0.688	63%	0.633	S	S	*	*			trans	-73.6	114.8	174.2	29.3	-32.6	0	0	0	110.4	V629	P627-V629 PolarHBondContact O-N 3.48Å
628	I	25.8	Very low	30.9	Very low	151 Å²	151	128.5 Å²	128.5	77%	0.774	65%	0.647	S	S	*	*			trans	-75.6	104	169.8	-58.4	175.1	0	0	0	108.1	V626 I630	V626-I628 PolarHBondContact O-N 3.47Å; I628-I630 HydrophobicContact CG2-CG1 4.01Å; I628-I630 PolarHBondContact O-N 3.07Å
629	V	23.9	Very low	30.2	Very low	100 Å²	100	128.5 Å²	128.5	61%	0.606	65%	0.652	S	S	*	*			trans	-82.2	111.5	169.1	-177.1	0	0	0	0	108.2	P627 Y631	P627-V629 PolarHBondContact O-N 3.48Å; V629-Y631 HydrophobicContact CB-CE2 4.47Å; V629-Y631 HydrophobicContact CG1-CD2 3.85Å; V629-Y631 HydrophobicContact CG1-CE2 3.57Å
630	I	24	Very low	29.3	Very low	149 Å²	149	133.2 Å²	133.2	76%	0.764	68%	0.677	S	S	*	*			trans	-92.6	104.6	170.5	-56.3	178.9	0	0	0	107.3	I628 Q632	I628-I630 HydrophobicContact CG2-CG1 4.01Å; I628-I630 PolarHBondContact O-N 3.07Å; I630-Q632 PolarHBondContact O-N 3.44Å
631	Y	22.4	Very low	28.6	Very low	192 Å²	192	129.8 Å²	129.8	75%	0.753	68%	0.682	S	S	*	*			trans	-76.3	115.7	163.8	-74.5	-82.7	0	0	0	108.8	V629	V629-Y631 HydrophobicContact CB-CE2 4.47Å; V629-Y631 HydrophobicContact CG1-CD2 3.85Å; V629-Y631 HydrophobicContact CG1-CE2 3.57Å
632	Q	23.5	Very low	28.2	Very low	153 Å²	153	133.5 Å²	133.5	72%	0.715	70%	0.699	S	S	*	*			trans	-88.1	115.2	160.2	-177.5	177.4	-41.8	0	0	107	I630 D634	I630-Q632 PolarHBondContact O-N 3.44Å; Q632-D634 WeakPolarHBondContact CG-OD1 3.13Å; Q632-D634 PolarHBondContact NE2-OD1 2.86Å; Q632-D634 PolarHBondContact O-N 3.19Å
633	H	25.3	Very low	28.2	Very low	153 Å²	153	136 Å²	136	71%	0.708	71%	0.707	S	S	*	*			trans	-95.6	93.1	-179.3	-165.6	-85.3	0	0	0	109.5	S635	H633-S635 VanDerWaalsContact ND1-CB 3.32Å; H633-S635 WeakPolarHBondContact ND1-CB 3.38Å; H633-S635 PolarHBondContact ND1-OG 3.31Å; H633-S635 PolarHBondContact O-N 2.91Å; H633-S635 PolarHBondContact O-OG 3.34Å
634	D	24	Very low	28	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	71%	0.711	S	S	*	*			trans	-76.8	65	177.9	-69.4	-24.4	0	0	0	110.8	Q632 Q636	Q632-D634 WeakPolarHBondContact CG-OD1 3.13Å; Q632-D634 PolarHBondContact NE2-OD1 2.86Å; Q632-D634 PolarHBondContact O-N 3.19Å; D634-Q636 PolarHBondContact O-N 2.79Å; D634-Q636 VanDerWaalsContact O-N 3.09Å
635	S	29.4	Very low	28	Very low	75 Å²	75	142.6 Å²	142.6	52%	0.524	74%	0.736	S	S	.	*			trans	-75.4	93	176.6	28	0	0	0	0	111.8	H633	H633-S635 VanDerWaalsContact ND1-CB 3.32Å; H633-S635 WeakPolarHBondContact ND1-CB 3.38Å; H633-S635 PolarHBondContact ND1-OG 3.31Å; H633-S635 PolarHBondContact O-N 2.91Å; H633-S635 PolarHBondContact O-OG 3.34Å
636	Q	24.8	Very low	27.6	Very low	186 Å²	186	145.3 Å²	145.3	87%	0.869	75%	0.748	S	S	*	*			trans	-75	122.6	155.7	-66.7	-179.5	-24.1	0	0	109.3	D634	D634-Q636 PolarHBondContact O-N 2.79Å; D634-Q636 VanDerWaalsContact O-N 3.09Å
637	Y	31.3	Very low	27.7	Very low	214 Å²	214	149.4 Å²	149.4	84%	0.839	76%	0.759	S	S	*	*			trans	-142.9	127.5	161.9	-82.8	-75.2	0	0	0	109.7
638	F	29.2	Very low	27.9	Very low	191 Å²	191	153.2 Å²	153.2	84%	0.838	77%	0.768	S	S	*	*			trans	-108	142.2	162.4	-102.7	-104.8	0	0	0	107.6
639	H	26.3	Very low	28.1	Very low	149 Å²	149	150 Å²	150	69%	0.69	76%	0.763	S	S	*	*			trans	27.6	137.5	136.9	-72.4	-84.2	0	0	0	120
640	D	28.4	Very low	28.7	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	77%	0.77	S	S	*	*			cis	-156.2	171.7	19	-101.1	-42.1	0	0	0	112
641	G	28.9	Very low	29.1	Very low	77 Å²	77	151.2 Å²	151.2	79%	0.794	77%	0.768	S	S	*	*			trans	158.7	102.8	162.7	0	0	0	0	0	117.3
642	N	30	Very low	29.6	Very low	164 Å²	164	148.9 Å²	148.9	88%	0.877	77%	0.769	S	S	*	*			trans	-71.3	149.5	-179.6	-63.4	-46.8	0	0	0	115.2
643	S	31.8	Very low	30.1	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	77%	0.767	S	S	*	*				178.7	121.5	110.3	63	0	0	0	0	116.1
644	F	28.5	Very low	30.5	Very low	174 Å²	174	146.4 Å²	146.4	76%	0.763	77%	0.766	S	S	*	*			trans	35.2	125.2	144.9	-70.7	-85.3	0	0	0	123.4
645	Q	34.5	Very low	30.9	Very low	195 Å²	195	146.3 Å²	146.3	91%	0.911	77%	0.765	S	S	*	*				-158.3	157.6	93	-105.8	-173.4	-2.7	0	0	112.4
646	N	28.9	Very low	31	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	77%	0.767	S	S	*	*			trans	-104	158.1	-167.8	-62.8	-22.6	0	0	0	113.8
647	Q	33	Very low	31.3	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	76%	0.758	S	S	*	*			trans	-138.2	165.9	137.8	-72.4	-158.2	-9.7	0	0	110.7
648	H	31.1	Very low	31.3	Very low	186 Å²	186	146.5 Å²	146.5	86%	0.861	76%	0.756	S	S	*	*			trans	-79.3	173.5	-160.8	-66.4	-94	0	0	0	114
649	A	32	Very low	31.1	Very low	83 Å²	83	147.5 Å²	147.5	69%	0.686	76%	0.755	S	S	*	*			cis	-157	-166.9	27.8	0	0	0	0	0	116.1
650	D	35.4	Very low	31.5	Very low	141 Å²	141	149.6 Å²	149.6	75%	0.754	77%	0.766	S	S	*	*			trans	90.2	83.7	163.9	-60.4	-12.3	0	0	0	121.1
651	N	31.7	Very low	31.5	Very low	135 Å²	135	149.2 Å²	149.2	72%	0.722	76%	0.764	S	S	*	*				48.2	112	125.2	-58.1	-18.4	0	0	0	121.6
652	N	33.8	Very low	31.4	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	76%	0.76	S	S	*	*				177.6	139.6	90.5	-95.2	-33.9	0	0	0	115.7
653	N	33.2	Very low	31.5	Very low	127 Å²	127	148.4 Å²	148.4	68%	0.679	76%	0.755	S	S	*	*			trans	61.7	115.3	143.5	-65.3	2.2	0	0	0	123.8
654	N	33.5	Very low	31.5	Very low	127 Å²	127	148 Å²	148	68%	0.679	75%	0.753	S	S	*	*				91.8	115.6	128.8	-63	12.6	0	0	0	121.9
655	N	32.4	Very low	31.6	Very low	126 Å²	126	146.4 Å²	146.4	67%	0.674	75%	0.752	S	S	*	*				55.4	138.4	125	-59.6	56.5	0	0	0	119.6
656	D	32.1	Very low	31.5	Very low	106 Å²	106	144.2 Å²	144.2	57%	0.567	74%	0.742	S	S	*	*			cis	-170.3	168.8	1.2	-121	-22	0	0	0	113.5
657	Y	31.7	Very low	31.6	Very low	171 Å²	171	145.1 Å²	145.1	67%	0.671	74%	0.741	S	S	*	*			trans	74.8	135.9	149.5	-77.5	-56.2	0	0	0	125.6
658	Y	31.1	Very low	31.4	Very low	201 Å²	201	142.8 Å²	142.8	79%	0.788	74%	0.735	S	S	*	*			trans	72.3	112.4	156.4	-64.7	-60.9	0	0	0	123.1
659	Y	25.9	Very low	31.3	Very low	212 Å²	212	137.9 Å²	137.9	83%	0.831	72%	0.722	S	S	*	*			trans	-130.2	142	151.8	-122.8	-82.4	0	0	0	106.1
660	E	32.7	Very low	31.1	Very low	194 Å²	194	140 Å²	140	91%	0.907	72%	0.722	S	S	*	*			trans	-151.8	154.7	158.6	-148.5	167.3	-132.2	0	0	110
661	N	28.6	Very low	30.8	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	72%	0.722	S	S	*	*			trans	-141.5	142.1	-165.8	-94.5	-37.9	0	0	0	112.7
662	G	28.4	Very low	30.6	Very low	69 Å²	69	141.1 Å²	141.1	71%	0.711	72%	0.718	S	S	*	*			trans	161.5	162	159.4	0	0	0	0	0	112.9
663	I	31.6	Very low	30.4	Very low	154 Å²	154	141.9 Å²	141.9	79%	0.79	72%	0.717	S	S	*	*			cis	-168.3	155	-18.9	-117	155	0	0	0	106.3
664	S	30.7	Very low	30.1	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	72%	0.721	S	S	*	*			trans	60.3	156.8	167.3	62.7	0	0	0	0	118.9
665	D	30.4	Very low	29.8	Very low	139 Å²	139	146 Å²	146	74%	0.743	72%	0.721	S	S	*	*			cis	-158.8	174.7	-16.8	-115.7	-37.4	0	0	0	113.6
666	H	33.2	Very low	29.6	Very low	149 Å²	149	145.5 Å²	145.5	69%	0.69	72%	0.718	S	S	*	*			trans	111.6	114	150.9	-65.1	-66.2	0	0	0	121.8
667	H	32.1	Very low	29.3	Very low	150 Å²	150	145.9 Å²	145.9	69%	0.694	72%	0.724	S	S	*	*			trans	63	123.4	135.6	-62.6	-36.9	0	0	0	121.2
668	N	28.6	Very low	29.1	Very low	142 Å²	142	145 Å²	145	76%	0.759	72%	0.724	S	S	*	*				69.6	138	70	-78.3	-12.3	0	0	0	114.5
669	S	29	Very low	28.8	Very low	83 Å²	83	144.4 Å²	144.4	58%	0.58	72%	0.722	S	S	*	*			cis	-174.2	175.8	-10.6	52.1	0	0	0	0	111.8
670	N	28.1	Very low	28.7	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	71%	0.714	S	S	*	*			trans	85.1	126.5	145.8	-69.4	-17.2	0	0	0	124.5
671	Y	28.6	Very low	28.4	Very low	197 Å²	197	141.7 Å²	141.7	77%	0.773	71%	0.708	S	S	*	*			trans	69.7	153.4	132.8	-77.9	-125.8	0	0	0	120.6
672	T	27.5	Very low	28.3	Very low	103 Å²	103	142.2 Å²	142.2	63%	0.632	71%	0.71	S	S	*	*			cis	-168.6	173	-24.6	26.4	0	0	0	0	110.9
673	H	29.8	Very low	28.1	Very low	158 Å²	158	142.2 Å²	142.2	73%	0.731	71%	0.71	S	S	*	*			trans	79.9	128.2	165.9	-77.4	37.8	0	0	0	116.5
674	Y	25.2	Very low	27.8	Very low	198 Å²	198	141.5 Å²	141.5	78%	0.776	71%	0.714	S	S	*	*				76.1	141.2	62.1	-79.6	-52.2	0	0	0	113.2
675	Q	28.9	Very low	27.6	Very low	143 Å²	143	142.8 Å²	142.8	67%	0.668	72%	0.717	S	S	*	*			cis	-158.6	165.7	16.2	-141.6	177.9	49.9	0	0	112.8
676	N	28.3	Very low	27.3	Very low	116 Å²	116	142.1 Å²	142.1	62%	0.62	72%	0.718	S	S	*	*			trans	66.9	127	156.5	-67.4	-33.3	0	0	0	119.9
677	T	26	Very low	27	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.693	72%	0.722	S	S	*	*				71.4	142.5	63	73.2	0	0	0	0	114.2
678	K	25.8	Very low	26.6	Very low	152 Å²	152	143.5 Å²	143.5	66%	0.661	73%	0.728	S	S	*	*			cis	-167.8	152.1	13.7	-131.6	166	-177.2	174.8	0	111.5
679	Y	25.7	Very low	26.6	Very low	190 Å²	190	142.2 Å²	142.2	75%	0.745	73%	0.728	S	S	*	*			trans	61	160.1	153.5	-66.3	-41.9	0	0	0	120.6
680	Q	24.8	Very low	26.3	Very low	145 Å²	145	144.6 Å²	144.6	68%	0.678	74%	0.739	S	S	*	*			cis	-166.8	147.7	-30	-166.6	-175.3	44.9	0	0	111.3
681	R	24.7	Very low	26.4	Very low	203 Å²	203	148 Å²	148	77%	0.766	75%	0.748	S	S	*	*			trans	79	146.3	149.9	-110.1	-179.7	177.1	152.3	-2.1	122.5
682	N	26.7	Very low	26.5	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	74%	0.743	S	S	*	*			trans	75.4	129.7	158	-59.9	-5.5	0	0	0	119
683	G	25.7	Very low	26.6	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	75%	0.752	S	S	*	*			trans	143.5	111.5	165.1	0	0	0	0	0	114.8
684	T	24	Very low	26.5	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	75%	0.753	S	S	*	*			trans	-42.3	130.2	164.5	42.9	0	0	0	0	114.6
685	V	26.6	Very low	26.8	Very low	127 Å²	127	142 Å²	142	77%	0.77	75%	0.752	S	S	*	*			trans	-101.9	99.3	165.5	-179.4	0	0	0	0	109.9	I687	V685-I687 HydrophobicContact CG1-CG1 3.96Å
686	T	23.7	Very low	26.8	Very low	124 Å²	124	145.4 Å²	145.4	76%	0.761	76%	0.76	S	S	*	*			trans	-83.1	128.1	161.1	-52.3	0	0	0	0	108.2
687	I	27.9	Very low	26.9	Very low	152 Å²	152	148.9 Å²	148.9	78%	0.779	77%	0.77	S	S	*	*			trans	-98.3	99.7	175.7	-56	-178.9	0	0	0	109.6	V685	V685-I687 HydrophobicContact CG1-CG1 3.96Å
688	Q	23.5	Very low	27	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	77%	0.771	S	S	*	*			trans	-130	142.8	151	-86.2	-165.6	-29.7	0	0	109.1
689	P	27.4	Very low	27.1	Very low	116 Å²	116	149.8 Å²	149.8	75%	0.753	78%	0.78	S	S	*	*			trans	-92.4	143.6	-172.1	35.3	-34.3	0	0	0	112.9
690	T	24.6	Very low	27.1	Very low	133 Å²	133	149.6 Å²	149.6	82%	0.816	79%	0.786	S	S	*	*			trans	-162.4	133.4	154.8	11.6	0	0	0	0	111.4
691	F	29.5	Very low	27.2	Very low	200 Å²	200	150.1 Å²	150.1	88%	0.877	79%	0.788	S	S	*	*			trans	-130.2	98.1	149.6	-90	-80	0	0	0	105.4
692	T	31.1	Very low	27.4	Very low	108 Å²	108	148 Å²	148	66%	0.663	79%	0.787	S	S	*	*				75.8	79.8	100.9	58.1	0	0	0	0	115
693	D	29.5	Very low	27.4	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	78%	0.784	S	S	*	*			trans	35.1	115.9	135.1	-60.1	-27.3	0	0	0	122.4
694	S	26.9	Very low	27.4	Very low	110 Å²	110	152 Å²	152	77%	0.769	79%	0.786	S	S	*	*				78.6	120.6	128.9	75.5	0	0	0	0	120.5
695	Q	31	Very low	27.5	Very low	160 Å²	160	151.1 Å²	151.1	75%	0.748	78%	0.776	S	S	*	*				-165.8	163.1	109.1	-104.3	-176.7	27.3	0	0	112.8
696	Y	30	Very low	27.6	Very low	214 Å²	214	153 Å²	153	84%	0.839	78%	0.78	S	S	*	*			trans	71.3	157.6	171.6	-73.3	-72.3	0	0	0	121.5
697	K	30.3	Very low	28	Very low	190 Å²	190	151.9 Å²	151.9	83%	0.826	77%	0.774	S	S	*	*			trans	-123.6	149.3	-155.4	-57.2	171.9	171.3	174.6	0	113.3
698	S	27.3	Very low	27.9	Very low	103 Å²	103	149.2 Å²	149.2	72%	0.72	77%	0.768	S	S	*	*			trans	37.1	113.7	139	65.8	0	0	0	0	122.2
699	Q	28.3	Very low	28.2	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	76%	0.762	S	S	*	*			trans	-174.4	131	130.5	-102.4	162.4	-9.8	0	0	105.8
700	E	27	Very low	28.2	Very low	185 Å²	185	148 Å²	148	86%	0.864	76%	0.761	S	S	*	*				55	126.5	55.9	-70.6	-176.4	168	0	0	113.4
701	E	25.9	Very low	28.5	Very low	156 Å²	156	147.4 Å²	147.4	73%	0.729	75%	0.753	S	S	*	*			cis	-164.7	167.5	-20.4	-159.5	-169.9	-137.3	0	0	107.4
702	Q	28.2	Very low	28.5	Very low	158 Å²	158	144.5 Å²	144.5	74%	0.738	74%	0.74	S	S	*	*			trans	70.2	158.1	168.1	-48.7	168	23.3	0	0	115.6
703	L	26.8	Very low	28.5	Very low	148 Å²	148	150 Å²	150	78%	0.775	75%	0.75	S	S	*	*			cis	-119.2	151.3	-17.3	-71	86.5	0	0	0	107.1
704	E	25.5	Very low	28.5	Very low	161 Å²	161	146.7 Å²	146.7	75%	0.752	75%	0.751	S	S	*	*				80	119.4	53.8	-125.2	-164.1	-144	0	0	117.1
705	N	26	Very low	28.4	Very low	121 Å²	121	148 Å²	148	65%	0.647	76%	0.755	S	S	*	*			trans	71.9	117.9	155.7	-62.8	-40.3	0	0	0	124
706	I	30.1	Very low	28.4	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	75%	0.753	S	S	*	*			trans	-179.5	102.6	130.8	-89.8	152.3	0	0	0	105.6
707	T	30.6	Very low	28.4	Very low	102 Å²	102	144.4 Å²	144.4	63%	0.626	75%	0.747	S	S	*	*				86.4	81.7	58.6	65.8	0	0	0	0	117.6
708	S	26.2	Very low	28.4	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	75%	0.751	S	S	*	*				73.7	149.7	124.8	67.9	0	0	0	0	124.6
709	N	29.2	Very low	28.2	Very low	127 Å²	127	144.5 Å²	144.5	68%	0.679	75%	0.751	S	S	*	*			trans	87.8	111.5	160.5	-55.8	-35.3	0	0	0	117.2
710	N	28.4	Very low	28.2	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	74%	0.744	S	S	*	*				76.5	126.4	86.6	-58.2	-18.7	0	0	0	111
711	D	30.2	Very low	28	Very low	121 Å²	121	141.4 Å²	141.4	65%	0.647	75%	0.745	S	S	*	*			cis	-171.6	172.4	49.7	-122	-9	0	0	0	109
712	K	30.3	Very low	28	Very low	138 Å²	138	142.8 Å²	142.8	60%	0.6	75%	0.749	S	S	*	*			cis	-167.8	179.2	-4	-142.1	168.1	-158	74	0	110.2
713	Y	31	Very low	27.7	Very low	225 Å²	225	142.3 Å²	142.3	88%	0.882	75%	0.751	S	S	*	*			trans	73.4	142.4	164.2	-66	-68	0	0	0	121.4
714	G	28.2	Very low	27.4	Very low	80 Å²	80	140.8 Å²	140.8	83%	0.825	75%	0.747	S	S	*	*			trans	135.2	71.3	173.7	0	0	0	0	0	114.5
715	T	26.3	Very low	27.3	Very low	139 Å²	139	138.4 Å²	138.4	85%	0.853	74%	0.743	S	S	*	*			trans	-104.2	125.9	179.6	51.4	0	0	0	0	112.8
716	D	31.3	Very low	27.1	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	75%	0.75	S	S	*	*			trans	-152.7	175.7	140.2	-133.5	-29.9	0	0	0	114
717	K	30.3	Very low	26.8	Very low	167 Å²	167	140.7 Å²	140.7	73%	0.726	74%	0.744	S	S	*	*			trans	-59.6	165.2	-172.6	-55.9	141.2	-161.6	111.1	0	112.5
718	E	28.7	Very low	26.4	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	75%	0.751	S	S	*	*			cis	-156.9	169.6	31.9	-161.2	160.2	-122.6	0	0	113
719	S	24.3	Very low	26.4	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	75%	0.754	S	S	*	*			trans	-140.2	119.2	-170.2	63.3	0	0	0	0	114.9
720	D	27.2	Very low	26.1	Very low	130 Å²	130	150.9 Å²	150.9	70%	0.695	76%	0.764	S	S	*	*				-176.5	95.8	124.6	-116.5	-22.9	0	0	0	111.7
721	L	24.1	Very low	26	Very low	171 Å²	171	153.4 Å²	153.4	90%	0.895	77%	0.769	S	S	*	*			trans	-125.3	90.6	164.6	-86.2	174.2	0	0	0	110	L723	L721-L723 VanDerWaalsContact C-N 3.31Å; L721-L723 PolarHBondContact O-N 2.91Å
722	K	24.2	Very low	25.9	Very low	184 Å²	184	154.2 Å²	154.2	80%	0.8	77%	0.773	S	S	*	*			trans	-79.9	79.3	172.9	-82.4	175.2	179.7	139.5	0	111.2
723	L	22.8	Very low	25.8	Very low	149 Å²	149	154.8 Å²	154.8	78%	0.78	78%	0.781	S	S	*	*			trans	-62.5	137.5	169.6	-147.6	85.8	0	0	0	110.5	L721 V725	L721-L723 VanDerWaalsContact C-N 3.31Å; L721-L723 PolarHBondContact O-N 2.91Å; L723-V725 PolarHBondContact O-N 2.83Å
724	V	20.6	Very low	25.8	Very low	115 Å²	115	149.9 Å²	149.9	70%	0.697	78%	0.776	S	S	*	*			trans	-83.8	102.3	176.6	177.5	0	0	0	0	109.4	F726	V724-F726 HydrophobicContact CG1-CD2 4.41Å; V724-F726 HydrophobicContact CG1-CE2 4.21Å; V724-F726 PolarHBondContact O-N 3.28Å
725	V	22.7	Very low	25.8	Very low	111 Å²	111	156.8 Å²	156.8	67%	0.673	78%	0.779	S	S	*	*			trans	-81.9	113.7	175.2	-179.4	0	0	0	0	110.2	L723	L723-V725 PolarHBondContact O-N 2.83Å
726	F	21.7	Very low	25.9	Very low	182 Å²	182	161.4 Å²	161.4	80%	0.798	78%	0.781	S	S	*	*			trans	-79.3	112	167.2	-75	-99.7	0	0	0	110.1	V724	V724-F726 HydrophobicContact CG1-CD2 4.41Å; V724-F726 HydrophobicContact CG1-CE2 4.21Å; V724-F726 PolarHBondContact O-N 3.28Å
727	H	24.3	Very low	25.8	Very low	152 Å²	152	159.9 Å²	159.9	70%	0.704	78%	0.78	S	S	*	*			trans	-82.2	114.2	161.7	-103.2	-90.2	0	0	0	109.8	E729	H727-E729 IonicContact CE1-OE1 2.63Å; H727-E729 PolarHBondContact CE1-OE1 3.35Å; H727-E729 IonicContact ND1-OE1 2.66Å; H727-E729 PolarHBondContact ND1-OE1 2.98Å
728	N	23	Very low	26.1	Very low	148 Å²	148	157.3 Å²	157.3	79%	0.791	78%	0.781	S	S	*	*			trans	-131.7	75.2	177.1	-168.8	17	0	0	0	109.8	R730	N728-R730 PolarHBondContact O-N 3.38Å
729	E	25.4	Very low	26.1	Very low	156 Å²	156	156 Å²	156	73%	0.729	78%	0.779	S	S	*	*			trans	-89.6	100.8	-173.3	-73.3	178.3	-171.8	0	0	112.5	H727	H727-E729 IonicContact CE1-OE1 2.63Å; H727-E729 PolarHBondContact CE1-OE1 3.35Å; H727-E729 IonicContact ND1-OE1 2.66Å; H727-E729 PolarHBondContact ND1-OE1 2.98Å
730	R	23.4	Very low	26.5	Very low	236 Å²	236	155.8 Å²	155.8	89%	0.891	78%	0.775	S	S	*	*			trans	-144.9	92.5	161.7	-78.8	-165	173	-172.3	-1.3	112.2	N728	N728-R730 PolarHBondContact O-N 3.38Å
731	K	25.9	Very low	26.4	Very low	192 Å²	192	159 Å²	159	84%	0.835	78%	0.783	S	S	*	*			trans	-150.3	140.3	163.9	-78	-162.8	178.8	-179.8	0	107.1
732	N	28	Very low	26.6	Very low	138 Å²	138	157.1 Å²	157.1	74%	0.738	78%	0.784	S	S	*	*			cis	-141.9	161	-3.7	-80.8	-36.1	0	0	0	109.6
733	I	27.8	Very low	26.6	Very low	149 Å²	149	153.4 Å²	153.4	76%	0.764	78%	0.781	S	S	*	*			trans	-136	120.3	154.3	-58.2	177.4	0	0	0	107.4
734	P	32.1	Very low	26.8	Very low	122 Å²	122	151.4 Å²	151.4	79%	0.792	78%	0.78	S	S	*	*			trans	-78.7	136.1	168.6	31.5	-31.3	0	0	0	110.7
735	Y	27.6	Very low	27.1	Very low	225 Å²	225	150.3 Å²	150.3	88%	0.882	78%	0.777	S	S	*	*			trans	-80.7	159.1	179.9	-98.9	-109.4	0	0	0	112.8
736	R	29.2	Very low	27.3	Very low	237 Å²	237	151.9 Å²	151.9	89%	0.894	78%	0.782	S	S	*	*			trans	-131	85.5	149.1	-160.6	177.7	-170.3	-167.7	2.5	113.1
737	S	28.7	Very low	27.5	Very low	97 Å²	97	150 Å²	150	68%	0.678	78%	0.78	S	S	*	*			trans	70.2	155	142.4	-49.2	0	0	0	0	121.1
738	P	36.3	Very low	27.7	Very low	114 Å²	114	152.7 Å²	152.7	74%	0.74	79%	0.79	S	S	*	*			trans	-130.6	-171.7	-163.1	42.6	-24.5	0	0	0	114.5
739	L	28.4	Very low	27.8	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	79%	0.792	S	S	*	*			trans	175.6	166.6	133.9	-89.7	166.4	0	0	0	109.9
740	P	32.7	Very low	28	Very low	98 Å²	98	151.8 Å²	151.8	64%	0.636	80%	0.796	S	S	*	*			trans	-138.9	178	-136.1	45.4	-28.4	0	0	0	118.5
741	K	25.3	Very low	28	Very low	199 Å²	199	148 Å²	148	87%	0.865	79%	0.792	S	S	*	*			trans	47.8	112.8	149.7	-72.1	174	179.3	-179.5	0	119.9
742	S	28.1	Very low	27.8	Very low	130 Å²	130	149.3 Å²	149.3	91%	0.909	79%	0.791	S	S	*	*				-168.2	-165.4	122.5	49.2	0	0	0	0	110.4
743	S	25.2	Very low	27.5	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	79%	0.79	S	S	*	*			trans	-118.1	165.9	-147.8	48.5	0	0	0	0	116.8
744	S	26.9	Very low	27.2	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	78%	0.783	S	S	*	*			trans	87.5	136.8	156.1	74.2	0	0	0	0	121
745	S	25.7	Very low	26.9	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	78%	0.78	S	S	*	*			trans	32.4	104.4	157.1	54.2	0	0	0	0	120.4
746	N	27.1	Very low	26.7	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	77%	0.77	S	S	*	*				179.7	154.4	91.4	-92.6	-36.7	0	0	0	114.6
747	N	26.2	Very low	26.4	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	77%	0.767	S	S	*	*			trans	35.3	98.5	154.5	-63.6	-18.1	0	0	0	119.9
748	K	29.5	Very low	26.2	Very low	208 Å²	208	143.1 Å²	143.1	90%	0.904	77%	0.774	S	S	*	*			trans	-155.9	133.6	139.9	-111.4	147	-171.1	170	0	112.2
749	L	25.1	Very low	25.7	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-78.7	139.9	-179.1	-59.4	90.5	0	0	0	111
750	P	28.3	Very low	25.6	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-71.4	129.5	156	30.7	-30.9	0	0	0	109.4	R752	P750-R752 PolarHBondContact O-N 3.45Å
751	I	23.8	Very low	25.3	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-57.6	122	-172.7	-66.2	161.1	0	0	0	111.7	V753	I751-V753 HydrophobicContact CG2-CG2 4.38Å; I751-V753 PolarHBondContact O-N 2.85Å
752	R	22.1	Very low	25.4	Very low	219 Å²	219	138.2 Å²	138.2	83%	0.826	77%	0.765	S	S	*	*			trans	-70.8	112.4	163.6	-93.2	-175.6	170.5	164.2	-4.6	109.5	P750 N754	P750-R752 PolarHBondContact O-N 3.45Å; R752-N754 PolarHBondContact O-N 2.93Å
753	V	21.6	Very low	25.4	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.715	76%	0.756	S	S	*	*			trans	-85.5	83.6	161.4	-177.6	0	0	0	0	108.2	I751 I755	I751-V753 HydrophobicContact CG2-CG2 4.38Å; I751-V753 PolarHBondContact O-N 2.85Å; V753-I755 HydrophobicContact CG1-CG1 4.22Å; V753-I755 PolarHBondContact O-N 3.43Å
754	N	21.8	Very low	25.3	Very low	113 Å²	113	140.2 Å²	140.2	60%	0.604	76%	0.757	S	S	*	*			trans	-76.9	113.6	166.6	-81.4	8.1	0	0	0	108.7	R752 L756	R752-N754 PolarHBondContact O-N 2.93Å; N754-L756 HydrophobicContact CB-CD1 4.27Å
755	I	25.1	Very low	25.5	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	76%	0.758	S	S	*	*			trans	-102.1	98.3	159.4	-61.3	178.7	0	0	0	106.6	V753	V753-I755 HydrophobicContact CG1-CG1 4.22Å; V753-I755 PolarHBondContact O-N 3.43Å
756	L	22.8	Very low	25.6	Very low	130 Å²	130	146.6 Å²	146.6	68%	0.681	77%	0.765	S	S	*	*			trans	-70.9	144.3	162.3	-76	93	0	0	0	108.7	N754	N754-L756 HydrophobicContact CB-CD1 4.27Å
757	N	23.1	Very low	25.5	Very low	156 Å²	156	146.3 Å²	146.3	83%	0.834	76%	0.763	S	S	*	*			trans	-142	69	162.5	-111.2	-7.3	0	0	0	109.8
758	H	24.3	Very low	25.7	Very low	178 Å²	178	145.4 Å²	145.4	82%	0.824	76%	0.758	S	S	*	*			trans	-123.1	142.1	156.1	-74.1	-75.3	0	0	0	106
759	A	25.8	Very low	25.6	Very low	79 Å²	79	141.1 Å²	141.1	65%	0.653	75%	0.745	S	S	*	*			cis	-133.5	-157.8	-10.7	0	0	0	0	0	108.5
760	N	27.3	Very low	25.9	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	74%	0.736	S	S	*	*				-144.6	149.7	57.9	-77.9	-14.7	0	0	0	112.3
761	N	27.1	Very low	26	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	73%	0.729	S	S	*	*			trans	-108.8	154.4	174.5	-138.8	3.8	0	0	0	109.5
762	S	25.8	Very low	26.3	Very low	84 Å²	84	138 Å²	138	59%	0.587	72%	0.724	S	S	*	*			trans	56.3	119.8	147.8	63	0	0	0	0	122.1
763	N	28.2	Very low	26.8	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	72%	0.723	S	S	*	*				87.3	114.6	128.8	-59.9	-4.4	0	0	0	121.7
764	N	24.4	Very low	27.2	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	73%	0.728	S	S	*	*				37.2	120.2	120.6	-49.3	-15.7	0	0	0	119.3
765	I	30	Very low	27.6	Very low	153 Å²	153	136.9 Å²	136.9	79%	0.785	73%	0.732	S	S	*	*				-176.9	148.8	106	-95.3	162.5	0	0	0	111.2
766	K	28.2	Very low	27.7	Very low	182 Å²	182	137.2 Å²	137.2	79%	0.791	74%	0.736	S	S	*	*			trans	0.8	154.4	154.3	-57.6	-177.6	-177.4	-178.4	0	119.9
767	L	25	Very low	28	Very low	136 Å²	136	138 Å²	138	71%	0.712	75%	0.746	S	S	*	*			cis	-168.1	173.5	-20.3	-138.7	88.2	0	0	0	105.3
768	D	29.8	Very low	28.2	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	74%	0.744	S	S	*	*			trans	63.2	158	158.5	-67.1	-46.6	0	0	0	119.4
769	N	29	Very low	28.4	Very low	118 Å²	118	138.2 Å²	138.2	63%	0.631	75%	0.747	S	S	*	*			cis	-156.3	157.7	-47.9	-133.8	-39.6	0	0	0	111.1
770	N	30.3	Very low	28.4	Very low	124 Å²	124	143.7 Å²	143.7	66%	0.663	76%	0.759	S	S	*	*			trans	60.1	123.9	151.4	-71.1	-29	0	0	0	123.8
771	N	30.9	Very low	28.2	Very low	122 Å²	122	146.4 Å²	146.4	65%	0.652	76%	0.759	S	S	*	*			trans	97.4	99	130.2	-66.7	-11.8	0	0	0	122.5
772	N	29.2	Very low	28	Very low	128 Å²	128	148.4 Å²	148.4	68%	0.684	76%	0.76	S	S	*	*				58.2	107.8	117.5	-51.9	-18.3	0	0	0	119.5
773	N	32.3	Very low	27.9	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	77%	0.77	S	S	*	*				-163.9	162.4	88.7	-103.1	-27.6	0	0	0	116.4
774	Q	30.3	Very low	27.7	Very low	175 Å²	175	151.5 Å²	151.5	82%	0.818	77%	0.767	S	S	*	*			trans	-51.7	162.2	164.2	-70.7	166.1	-2.6	0	0	113.4
775	S	30.8	Very low	27.7	Very low	101 Å²	101	151.3 Å²	151.3	71%	0.706	77%	0.766	S	S	*	*			cis	-162.6	163.4	1.9	36	0	0	0	0	113.4
776	N	26.3	Very low	27.3	Very low	150 Å²	150	151.7 Å²	151.7	80%	0.802	77%	0.769	S	S	*	*			trans	15.4	117.2	151.4	-57.3	-12.6	0	0	0	121
777	V	30.5	Very low	27.1	Very low	148 Å²	148	148 Å²	148	90%	0.897	76%	0.762	S	S	*	*				-137.6	141.1	119.8	179.5	0	0	0	0	108.8
778	N	26.1	Very low	27	Very low	149 Å²	149	148.5 Å²	148.5	80%	0.797	77%	0.765	S	S	*	*			trans	-80.5	142.8	177.1	-66.6	-69.2	0	0	0	112.2
779	Q	29.3	Very low	26.8	Very low	188 Å²	188	153 Å²	153	88%	0.879	78%	0.779	S	S	*	*				-162.4	157.4	122.8	-107	165.7	41	0	0	113.1
780	Q	26.5	Very low	26.6	Very low	194 Å²	194	153.3 Å²	153.3	91%	0.907	78%	0.781	S	S	*	*			trans	-72.9	128.1	-156.1	-64.7	165.8	-23.1	0	0	115.2
781	Y	22.5	Very low	26.3	Very low	219 Å²	219	152.4 Å²	152.4	86%	0.859	78%	0.779	S	S	*	*			trans	-83.1	119.8	159.2	-81.7	-87.3	0	0	0	111.1	I783	Y781-I783 PolarHBondContact O-N 3.48Å
782	K	22.9	Very low	25.9	Very low	192 Å²	192	154.5 Å²	154.5	84%	0.835	79%	0.789	S	S	*	*			trans	-94.9	71	-177.2	-165.8	174.8	-175.4	174.4	0	111.8	I784	K782-I784 PolarHBondContact O-N 3.01Å
783	I	23.3	Very low	25.5	Very low	152 Å²	152	153.5 Å²	153.5	78%	0.779	79%	0.792	S	S	*	*			trans	-73.4	114.4	177.4	-61.3	178.5	0	0	0	109.9	Y781	Y781-I783 PolarHBondContact O-N 3.48Å
784	I	24.5	Very low	25	Very low	134 Å²	134	154.1 Å²	154.1	69%	0.687	79%	0.794	S	S	*	*			trans	-85.7	111.3	177.1	-62.8	175.9	0	0	0	109.2	K782 L786	K782-I784 PolarHBondContact O-N 3.01Å; I784-L786 HydrophobicContact CG2-CG 4.13Å
785	N	23.6	Very low	24.8	Very low	135 Å²	135	155.8 Å²	155.8	72%	0.722	80%	0.799	S	S	*	*			trans	-102.5	113.5	174.7	-168.4	-0.5	0	0	0	110.5	T787	N785-T787 PolarHBondContact O-N 3.4Å
786	L	23.1	Very low	24.6	Very low	162 Å²	162	161.8 Å²	161.8	85%	0.848	81%	0.806	S	S	*	*			trans	-91.4	64.8	-171.1	-83.9	170.6	0	0	0	113.7	I784	I784-L786 HydrophobicContact CG2-CG 4.13Å
787	T	22.3	Very low	24.7	Very low	105 Å²	105	161.4 Å²	161.4	64%	0.644	80%	0.804	S	S	*	*			trans	-129.6	78	165.3	57.4	0	0	0	0	111.5	N785	N785-T787 PolarHBondContact O-N 3.4Å
788	N	24.6	Very low	24.4	Very low	145 Å²	145	162.5 Å²	162.5	78%	0.775	80%	0.799	S	S	*	*			trans	168.1	113.1	147.8	-89.3	-32.7	0	0	0	110.4
789	K	24.3	Very low	24.2	Very low	221 Å²	221	161.2 Å²	161.2	96%	0.961	80%	0.799	S	S	*	*			trans	-109.8	99.4	149.3	-88	-166	173.8	-174.3	0	106.8
790	N	25	Very low	23.9	Very low	125 Å²	125	160.6 Å²	160.6	67%	0.668	80%	0.8	S	S	*	*			trans	-112.3	131	-176.6	-136.8	7.5	0	0	0	110
791	T	24.2	Very low	23.7	Very low	104 Å²	104	161.8 Å²	161.8	64%	0.638	80%	0.796	S	S	*	*			trans	33.2	126.3	150.1	54.2	0	0	0	0	121.4
792	I	22.6	Very low	23.6	Very low	167 Å²	167	157.4 Å²	157.4	86%	0.856	79%	0.787	S	S	*	*				-151.1	140.5	118	-94.1	146.4	0	0	0	104.6
793	S	19.9	Very low	23.6	Very low	106 Å²	106	159 Å²	159	74%	0.741	79%	0.789	S	S	*	*			cis	-119.7	147.2	16.8	-61.4	0	0	0	0	114.1
794	L	22.9	Very low	23.5	Very low	164 Å²	164	159.3 Å²	159.3	86%	0.859	79%	0.788	S	S	*	*			trans	-121.2	141.5	149.7	-87.7	167.2	0	0	0	107.4
795	K	26.2	Very low	23.7	Very low	211 Å²	211	160.9 Å²	160.9	92%	0.917	80%	0.797	S	S	*	*			trans	-71.5	142.4	174.2	-76.2	-173	175.2	-178.1	0	110.1
796	R	26.8	Very low	23.8	Very low	226 Å²	226	162 Å²	162	85%	0.853	80%	0.803	S	S	*	*			trans	-62	159.3	167.7	-55.8	170.5	166.9	150.8	-7.6	108.9
797	N	27	Very low	23.9	Very low	143 Å²	143	162.4 Å²	162.4	77%	0.765	80%	0.801	S	S	*	*			cis	-138.3	167	28.8	-54.3	-41.6	0	0	0	110.4
798	Q	24.4	Very low	24.1	Very low	171 Å²	171	167.6 Å²	167.6	80%	0.799	82%	0.815	S	S	*	*			cis	-163.1	144.7	-25.8	-109.8	-176.7	-17	0	0	106.7
799	P	22.3	Very low	24	Very low	122 Å²	122	164.8 Å²	164.8	79%	0.792	81%	0.807	S	S	*	*			trans	-109.9	152.4	175.6	38.1	-30.8	0	0	0	113.8
800	I	23.4	Very low	24.1	Very low	174 Å²	174	162.6 Å²	162.6	89%	0.892	80%	0.8	S	S	*	*			trans	-129.3	155.7	166	-63.4	-176.8	0	0	0	109.2
801	R	21.4	Very low	24.1	Very low	220 Å²	220	162.4 Å²	162.4	83%	0.83	80%	0.803	S	S	*	*			trans	-113.3	151.9	-167.2	-67.8	175.4	171.6	176.2	-3.9	112.6
802	L	20.3	Very low	24.3	Very low	126 Å²	126	166 Å²	166	66%	0.66	81%	0.81	S	S	*	*			trans	55.2	149.4	138	-62.3	171.6	0	0	0	117.9
803	Y	24.2	Very low	24.5	Very low	226 Å²	226	165.4 Å²	165.4	89%	0.886	80%	0.803	S	S	*	*			cis	-141.3	170.9	49.6	-84.1	-90.6	0	0	0	115
804	E	21.5	Very low	24.9	Very low	159 Å²	159	167.6 Å²	167.6	74%	0.743	81%	0.807	S	S	*	*			trans	-98.1	154.4	171.8	-61.4	165	115.2	0	0	110.9
805	N	27.8	Very low	25.1	Very low	166 Å²	166	163.2 Å²	163.2	89%	0.888	80%	0.802	S	S	*	*				-172.1	155.6	124.2	-97	-31.7	0	0	0	111.4
806	N	25.7	Very low	25.2	Very low	159 Å²	159	163.6 Å²	163.6	85%	0.85	80%	0.799	S	S	*	*			trans	-100.1	161.3	-179.4	-76.2	-63.2	0	0	0	113.1
807	E	25	Very low	25.2	Very low	171 Å²	171	159 Å²	159	80%	0.799	79%	0.791	S	S	*	*			trans	-40.1	147.6	179.5	-54.2	168.9	154.8	0	0	117.3
808	F	26.3	Very low	25.2	Very low	214 Å²	214	158.6 Å²	158.6	94%	0.939	79%	0.789	S	S	*	*				-131.5	157.4	122.6	-119.1	-88	0	0	0	109.3
809	S	22.7	Very low	25.5	Very low	86 Å²	86	157.8 Å²	157.8	60%	0.601	79%	0.79	S	S	*	*			trans	-138.6	169.8	-173.3	59.9	0	0	0	0	112.6
810	Q	26.3	Very low	25.6	Very low	174 Å²	174	160.4 Å²	160.4	81%	0.813	79%	0.792	S	S	*	*			trans	80.1	137.3	-177	-51.2	-172.9	11.8	0	0	115.1
811	T	24.6	Very low	25.7	Very low	121 Å²	121	159.6 Å²	159.6	74%	0.742	79%	0.789	S	S	*	*			cis	-158.4	168.2	-8	17.4	0	0	0	0	112.5
812	K	28.3	Very low	25.9	Very low	181 Å²	181	155.9 Å²	155.9	79%	0.787	78%	0.784	S	S	*	*			trans	95.4	95.8	160.5	-60.7	-164.5	179.1	-179.4	0	120.5
813	Q	28.2	Very low	26.1	Very low	153 Å²	153	157 Å²	157	72%	0.715	79%	0.789	S	S	*	*				75.9	117.4	119.1	-73.6	177	-49.9	0	0	122.6
814	N	28.2	Very low	26.1	Very low	153 Å²	153	153.7 Å²	153.7	82%	0.818	78%	0.782	S	S	*	*			trans	76.5	122.8	136.1	-56.1	0.3	0	0	0	120.1
815	G	27.4	Very low	26.3	Very low	72 Å²	72	154.3 Å²	154.3	74%	0.742	79%	0.789	S	S	*	*			trans	154	73.4	157.5	0	0	0	0	0	118
816	Y	28.3	Very low	26.2	Very low	218 Å²	218	155 Å²	155	86%	0.855	78%	0.784	S	S	*	*			trans	48	112.8	154.4	-75.3	-87.6	0	0	0	122.4
817	N	26.4	Very low	26.3	Very low	129 Å²	129	149.9 Å²	149.9	69%	0.69	77%	0.769	S	S	*	*				70.9	126.3	126.6	-72.1	22.3	0	0	0	123.9
818	N	27.3	Very low	26.3	Very low	136 Å²	136	148.3 Å²	148.3	73%	0.727	77%	0.774	S	S	*	*			trans	93.4	154.9	137	-71	21.8	0	0	0	121.1
819	D	28.9	Very low	26.3	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	77%	0.765	S	S	*	*			trans	70	92.8	169.3	-59.2	-3.2	0	0	0	118.8
820	E	24.4	Very low	26.4	Very low	178 Å²	178	149 Å²	149	83%	0.832	77%	0.774	S	S	*	*			trans	-47.6	145.5	170.8	-49.1	179.1	143.2	0	0	114.4
821	N	27.1	Very low	26.4	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	77%	0.768	S	S	*	*			trans	-155.5	81.6	148.3	-109.8	-71.7	0	0	0	110.9
822	I	24.2	Very low	26.4	Very low	142 Å²	142	149.6 Å²	149.6	73%	0.728	77%	0.772	S	S	*	*			trans	-100.7	106.6	178	-61	177.4	0	0	0	109.8
823	I	25.5	Very low	26.2	Very low	148 Å²	148	148.1 Å²	148.1	76%	0.759	77%	0.773	S	S	*	*			trans	-91.7	104.3	174.8	-61	-179.5	0	0	0	110.3	L825	I823-L825 PolarHBondContact O-N 2.92Å
824	H	24.7	Very low	26.2	Very low	158 Å²	158	151 Å²	151	73%	0.731	78%	0.778	S	S	*	*			trans	-78.3	114	173.2	-89	-82.1	0	0	0	112.4	K826	H824-K826 PolarHBondContact O-N 2.84Å
825	L	24.6	Very low	26.1	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	78%	0.781	S	S	*	*			trans	-80.2	97.8	163.4	-70.6	174.6	0	0	0	110.5	I823	I823-L825 PolarHBondContact O-N 2.92Å
826	K	27	Very low	26	Very low	180 Å²	180	158 Å²	158	78%	0.783	79%	0.788	S	S	*	*			trans	-70.7	128.2	173.1	-72.2	-177.8	177.8	178.3	0	111	H824	H824-K826 PolarHBondContact O-N 2.84Å
827	G	26.3	Very low	26	Very low	52 Å²	52	157.4 Å²	157.4	54%	0.536	79%	0.789	S	S	.	*			trans	-68.7	169.4	158.9	0	0	0	0	0	111.7	Q829	G827-Q829 PolarHBondContact O-N 2.76Å
828	P	25.7	Very low	26.2	Very low	138 Å²	138	159.4 Å²	159.4	90%	0.896	80%	0.8	S	S	*	*			trans	-67.2	100.6	-176.6	27.8	-34.8	0	0	0	111.3
829	Q	26.4	Very low	26.1	Very low	162 Å²	162	158.7 Å²	158.7	76%	0.757	81%	0.806	S	S	*	*			trans	-80	137.6	166.1	-72.4	-163.5	-20.5	0	0	110.2	G827 E831	G827-Q829 PolarHBondContact O-N 2.76Å; Q829-E831 PolarHBondContact O-N 3.21Å
830	I	24.9	Very low	26.2	Very low	154 Å²	154	156.4 Å²	156.4	79%	0.79	80%	0.802	S	S	*	*			trans	-77.5	109	170.6	-64.4	172.9	0	0	0	107.2	L832	I830-L832 VanDerWaalsContact C-N 3.32Å; I830-L832 PolarHBondContact O-N 2.84Å
831	E	26.1	Very low	26.4	Very low	147 Å²	147	158 Å²	158	69%	0.687	81%	0.806	S	S	*	*			trans	-69.5	82.4	179.1	-75.1	-160.5	130.7	0	0	112.4	Q829 N833 R834	Q829-E831 PolarHBondContact O-N 3.21Å; E831-N833 PolarHBondContact O-N 3.09Å; E831-R834 IonicContact OE2-NE 3.97Å
832	L	24.4	Very low	26.6	Very low	159 Å²	159	155.9 Å²	155.9	83%	0.832	80%	0.804	S	S	*	*			trans	-73.4	60.2	162.8	-88.4	162.2	0	0	0	111.2	I830	I830-L832 VanDerWaalsContact C-N 3.32Å; I830-L832 PolarHBondContact O-N 2.84Å
833	N	24.9	Very low	26.8	Very low	151 Å²	151	157 Å²	157	81%	0.807	80%	0.804	S	S	*	*			trans	-163.7	44.6	168.2	-104.6	-25.3	0	0	0	116.1	E831	E831-N833 PolarHBondContact O-N 3.09Å
834	R	26.8	Very low	26.9	Very low	213 Å²	213	158.4 Å²	158.4	80%	0.804	80%	0.804	S	S	*	*	S	Bend	trans	-128.2	37.5	168.8	-78.2	-168.2	174.9	-162.8	-0.7	115	E831	E831-R834 IonicContact OE2-NE 3.97Å
835	L	26.5	Very low	27	Very low	172 Å²	172	157.2 Å²	157.2	90%	0.901	80%	0.799	S	S	*	*			trans	-140.6	52.1	174.1	-91.1	177.1	0	0	0	113.7
836	K	25.3	Very low	26.8	Very low	201 Å²	201	154.7 Å²	154.7	87%	0.874	80%	0.796	S	S	*	*			trans	-143.1	70.7	167.5	-76.3	-161.7	176.5	-176.7	0	113.6
837	K	29.4	Very low	26.7	Very low	204 Å²	204	153.7 Å²	153.7	89%	0.887	79%	0.794	S	S	*	*			trans	-146.9	87.8	153.6	-89.8	-161.5	176.7	-176.2	0	110.4
838	N	29.2	Very low	26.5	Very low	172 Å²	172	157.7 Å²	157.7	92%	0.92	81%	0.808	S	S	*	*			trans	-168.1	135.8	142.5	-97.1	-12.7	0	0	0	107.2
839	S	26.5	Very low	26.3	Very low	120 Å²	120	159.4 Å²	159.4	84%	0.839	80%	0.801	S	S	*	*			trans	-145.5	115.3	-159	52.6	0	0	0	0	112.5
840	S	30.9	Very low	26	Very low	106 Å²	106	157.7 Å²	157.7	74%	0.741	80%	0.802	S	S	*	*			trans	-161.8	97.8	168.4	55.8	0	0	0	0	111.9
841	F	28.7	Very low	26	Very low	211 Å²	211	158.2 Å²	158.2	93%	0.925	81%	0.805	S	S	*	*			trans	54.2	144.6	155.3	-66.2	-96.3	0	0	0	119.7
842	S	30.2	Very low	25.8	Very low	112 Å²	112	156.8 Å²	156.8	78%	0.783	81%	0.806	S	S	*	*			cis	-139.7	178.1	12.9	60.6	0	0	0	0	113.8
843	K	27.7	Very low	25.7	Very low	167 Å²	167	156.9 Å²	156.9	73%	0.726	80%	0.8	S	S	*	*			trans	-63.4	161.6	-172.7	-56.4	-177.6	179.7	-175.4	0	113.1
844	K	27.8	Very low	25.7	Very low	177 Å²	177	159.6 Å²	159.6	77%	0.77	81%	0.805	S	S	*	*			cis	-138.1	144.6	28.2	-74.7	-176.4	173.1	-172.9	0	116.5
845	E	26.6	Very low	25.6	Very low	132 Å²	132	154.4 Å²	154.4	62%	0.617	79%	0.793	S	S	*	*			trans	13.7	135.1	141.5	-61.5	99.5	-129.7	0	0	121.5
846	S	21.9	Very low	25.7	Very low	119 Å²	119	153 Å²	153	83%	0.832	79%	0.786	S	S	*	*			trans	-137.4	114	151.8	61	0	0	0	0	108.4
847	E	24.7	Very low	25.6	Very low	159 Å²	159	150.9 Å²	150.9	74%	0.743	78%	0.784	S	S	*	*			trans	-99.2	143	-179.1	-67.2	-165.7	139.6	0	0	112.7
848	T	21.2	Very low	25.9	Very low	135 Å²	135	146.2 Å²	146.2	83%	0.828	77%	0.774	S	S	*	*			trans	-131.2	118.4	165	50	0	0	0	0	108.9
849	F	22.3	Very low	25.9	Very low	175 Å²	175	144.5 Å²	144.5	77%	0.768	76%	0.761	S	S	*	*			trans	-116.8	151	168.5	-94	-80.7	0	0	0	110.7
850	T	20.7	Very low	25.9	Very low	126 Å²	126	148.3 Å²	148.3	77%	0.773	76%	0.757	S	S	*	*			trans	-150	114.9	-178.2	-51.7	0	0	0	0	109.2
851	I	23.5	Very low	25.7	Very low	164 Å²	164	152.8 Å²	152.8	84%	0.841	76%	0.763	S	S	*	*			trans	-139	148.3	173.2	-61.8	-175.7	0	0	0	108.6
852	T	21.6	Very low	25.4	Very low	118 Å²	118	152.2 Å²	152.2	72%	0.724	76%	0.76	S	S	*	*			trans	-120.5	133.7	-163	48.6	0	0	0	0	115.4
853	K	23.5	Very low	25.7	Very low	161 Å²	161	152.2 Å²	152.2	70%	0.7	76%	0.757	S	S	*	*			trans	51.4	129.1	132.9	-155.5	178.7	-162.9	-74.1	0	121.2	D855	K853-D855 IonicContact NZ-OD1 3.28Å; K853-D855 PolarHBondContact NZ-OD1 2.95Å; K853-D855 IonicContact NZ-OD2 2.71Å; K853-D855 PolarHBondContact NZ-OD2 2.83Å
854	K	24.6	Very low	25.8	Very low	208 Å²	208	152.6 Å²	152.6	90%	0.904	76%	0.762	S	S	*	*			trans	-155.2	165.8	141.9	-121.8	178.2	-178.3	-178.7	0	111.1
855	D	25.4	Very low	25.8	Very low	104 Å²	104	149.2 Å²	149.2	56%	0.556	76%	0.756	S	S	*	*			trans	-130.5	170.2	-162.5	-50.1	-96.2	0	0	0	113.8	K853	K853-D855 IonicContact NZ-OD1 3.28Å; K853-D855 PolarHBondContact NZ-OD1 2.95Å; K853-D855 IonicContact NZ-OD2 2.71Å; K853-D855 PolarHBondContact NZ-OD2 2.83Å
856	N	28	Very low	25.8	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	77%	0.768	S	S	*	*			trans	94.5	107.4	159.9	-58.3	-25.7	0	0	0	121.8
857	L	23.7	Very low	26	Very low	155 Å²	155	148.8 Å²	148.8	81%	0.812	77%	0.767	S	S	*	*				50.8	164.9	107.1	-72.9	164.4	0	0	0	122
858	P	35.9	Very low	26	Very low	106 Å²	106	148.6 Å²	148.6	69%	0.688	77%	0.771	S	S	*	*			cis	-136.3	-175.3	-15.9	40.3	-23	0	0	0	115.3
859	E	28.9	Very low	26.1	Very low	136 Å²	136	149.5 Å²	149.5	64%	0.636	77%	0.768	S	S	*	*				-179.1	126	129.9	-95.3	-97.7	103.1	0	0	113.7
860	R	26.2	Very low	26.3	Very low	200 Å²	200	149.8 Å²	149.8	76%	0.755	77%	0.765	S	S	*	*			trans	46.3	145.8	143.6	-66.6	179.1	174.4	135.4	-6.3	122.3
861	K	25.8	Very low	26.6	Very low	200 Å²	200	151 Å²	151	87%	0.87	76%	0.76	S	S	*	*			cis	-133.6	170.9	15.3	-68.2	-177.2	178.7	178.8	0	113.6
862	F	23.2	Very low	26.6	Very low	200 Å²	200	149.8 Å²	149.8	88%	0.877	75%	0.751	S	S	*	*			trans	-110.2	-161.6	177.6	-74.5	-92.1	0	0	0	111.5
863	P	36.7	Very low	26.8	Very low	111 Å²	111	150 Å²	150	72%	0.721	75%	0.746	S	S	*	*				-133.9	-150.2	-79.7	45	-27.1	0	0	0	113
864	Q	29.9	Very low	27	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	74%	0.74	S	S	*	*			trans	108.4	148.9	168.8	-63.8	-173.7	-2.1	0	0	114.8
865	T	27.5	Very low	27.1	Very low	106 Å²	106	145 Å²	145	65%	0.65	73%	0.728	S	S	*	*			cis	-164.8	151.7	-26.7	25.6	0	0	0	0	108.6
866	N	26	Very low	27.1	Very low	164 Å²	164	145.5 Å²	145.5	88%	0.877	73%	0.727	S	S	*	*			trans	48.6	144	152.1	-59.5	-8	0	0	0	121.7
867	G	27.4	Very low	27.1	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	71%	0.71	S	S	*	*			trans	151	117.6	158.6	0	0	0	0	0	114.9
868	N	24.6	Very low	27.3	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	71%	0.707	S	S	*	*			trans	-81.5	173.3	177.7	-71.7	-29.1	0	0	0	112.9
869	M	23.4	Very low	26.8	Very low	153 Å²	153	141.5 Å²	141.5	75%	0.754	70%	0.701	S	S	*	*				97.8	133.2	129.5	-104.7	172.9	51.4	0	0	120.2
870	Y	26.7	Very low	26.9	Very low	182 Å²	182	142.6 Å²	142.6	71%	0.714	71%	0.711	S	S	*	*			trans	71.7	111	164.5	-75.9	-108.9	0	0	0	115.7
871	K	25.5	Very low	26.8	Very low	151 Å²	151	140.8 Å²	140.8	66%	0.657	71%	0.711	S	S	*	*				87.1	117.9	86.5	-89.8	-157.7	175.2	-117.3	0	110.9
872	E	24.6	Very low	26.8	Very low	139 Å²	139	140.5 Å²	140.5	65%	0.65	71%	0.71	S	S	*	*				61.8	127.3	91.1	-77.5	-179.8	171.6	0	0	110.3
873	I	25.7	Very low	26.9	Very low	123 Å²	123	137.6 Å²	137.6	63%	0.631	70%	0.702	S	S	*	*				160	158.3	58.7	-116.9	171.4	0	0	0	104.4
874	H	27.2	Very low	26.3	Very low	124 Å²	124	140.3 Å²	140.3	57%	0.574	70%	0.703	S	S	*	*			cis	-153.3	162.8	-1.4	-107.5	-38	0	0	0	107.2
875	E	26.1	Very low	26.1	Very low	138 Å²	138	138.2 Å²	138.2	65%	0.645	69%	0.693	S	S	*	*				50	164.9	85.4	-51.2	174.4	-161.1	0	0	115.9
876	E	26.8	Very low	26	Very low	115 Å²	115	140.5 Å²	140.5	54%	0.537	70%	0.696	S	S	.	*			cis	-148.9	-174.4	-11.3	-135.8	-159.9	178.9	0	0	106.9	R991	E876-R991 PolarHBondContact O-NE 2.93Å; E876-R991 PolarHBondContact O-NH2 3.44Å
877	N	27.4	Very low	25.9	Very low	77 Å²	77	140 Å²	140	41%	0.412	69%	0.687	S	S	.	*			cis	-150.7	170.7	-11.8	-161.7	-24	0	0	0	107.3
878	N	28.3	Very low	25.8	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	69%	0.686	S	S	*	*				151.3	142.8	123	-80.9	-39.2	0	0	0	113
879	N	25.8	Very low	25.9	Very low	105 Å²	105	142 Å²	142	56%	0.561	67%	0.668	S	S	*	*			cis	-166.2	151.1	-31	-140.6	-43.8	0	0	0	108.8
880	N	29.3	Very low	26	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	66%	0.657	S	S	*	*			trans	156.2	151.8	142.5	-83.2	-33.6	0	0	0	114.4
881	Q	24.3	Very low	26.4	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	67%	0.665	S	S	*	*			trans	-91.4	157.1	-170.5	-57.4	159.3	-32.4	0	0	113.2
882	F	27.1	Very low	27.1	Very low	194 Å²	194	136 Å²	136	85%	0.851	66%	0.656	S	S	*	*				179.5	92.1	125.6	-101.7	-67.3	0	0	0	114.9
883	I	24.8	Very low	28.3	Very low	139 Å²	139	133.1 Å²	133.1	71%	0.713	65%	0.651	S	S	*	*			trans	36.7	124.7	131.8	-54.8	-179.1	0	0	0	122
884	K	24	Very low	29.5	Very low	168 Å²	168	131.8 Å²	131.8	73%	0.73	64%	0.641	S	S	*	*			trans	89.7	112.6	147.1	-85.7	177	172.7	-179.9	0	125.4
885	E	24.7	Very low	31.2	Very low	132 Å²	132	129.3 Å²	129.3	62%	0.617	64%	0.637	S	S	*	*				68	125.5	120.1	-75.2	-169.6	92.5	0	0	126.3
886	Q	26.4	Very low	33.1	Very low	154 Å²	154	124.7 Å²	124.7	72%	0.72	62%	0.617	S	S	*	*			trans	62.5	124.1	142.8	-60.7	-173.3	42.1	0	0	122.8
887	K	24.1	Very low	35.1	Very low	154 Å²	154	124.2 Å²	124.2	67%	0.67	62%	0.622	S	S	*	*				179.2	172.6	111.6	-98.2	168.2	-174.5	178.9	0	114.5	N958	K887-N958 PolarHBondContact NZ-O 3.21Å
888	R	24.3	Very low	37.1	Very low	210 Å²	210	121.2 Å²	121.2	79%	0.792	61%	0.605	S	S	*	*			trans	-101.9	149.2	-177.6	-72.5	-178.5	172.7	172.2	-1.8	113.9	N958	R888-N958 PolarHBondContact O-ND2 3.14Å
889	S	27.4	Very low	39.2	Very low	65 Å²	65	121.3 Å²	121.3	46%	0.455	60%	0.601	S	S	.	*			trans	38.5	120.9	145.9	63.2	0	0	0	0	121
890	F	25.7	Very low	40.9	Very low	121 Å²	121	126.1 Å²	126.1	53%	0.531	62%	0.617	S	S	.	*				-174.6	158.5	121.9	-93.9	-65.2	0	0	0	108.5	P892 H1120	F890-P892 WeakPolarHBondContact O-CD 3.32Å; F890-H1120 AromaticContact CE2-NE2 3.89Å; F890-H1120 AromaticContact CZ-CD2 3.96Å; F890-H1120 AromaticContact CZ-NE2 3.74Å
891	L	34.1	Very low	42.7	Very low	166 Å²	166	122.6 Å²	122.6	87%	0.869	62%	0.618	S	S	*	*			trans	-58.6	115.1	-174.4	-82.4	164.6	0	0	0	111.9
892	P	41.5	Very low	44.6	Very low	74 Å²	74	118.6 Å²	118.6	48%	0.481	60%	0.6	S	S	.	*			trans	-110.8	2.6	-165.1	40	-32.6	0	0	0	115.8	F890 T953 S954	F890-P892 WeakPolarHBondContact O-CD 3.32Å; P892-T953 VanDerWaalsContact O-CA 3.27Å; P892-T953 WeakPolarHBondContact O-CA 3.32Å; P892-T953 VanDerWaalsContact O-CB 3.23Å; P892-T953 WeakPolarHBondContact O-CB 3.42Å; P892-S954 PolarHBondContact O-N 3.04Å
893	S	50.1	Low	46.7	Very low	77 Å²	77	113.2 Å²	113.2	54%	0.538	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.7	151.9	-178.2	60.9	0	0	0	0	114.1	I952	S893-I952 WeakPolarHBondContact CA-O 3.37Å
894	F	49.5	Very low	48.3	Very low	96 Å²	96	108 Å²	108	42%	0.421	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-143.3	154.1	156.7	69.9	-87.3	0	0	0	110.4	I896 I913 T951 I952	F894-I896 HydrophobicContact CD2-CG1 4.35Å; F894-I896 HydrophobicContact CE2-CD1 4.19Å; F894-I896 HydrophobicContact CE2-CG1 4.16Å; F894-I913 HydrophobicContact CE1-CD1 3.9Å; F894-I913 HydrophobicContact CE1-CG1 4.47Å; F894-I913 HydrophobicContact CZ-CD1 3.82Å; F894-I913 HydrophobicContact CZ-CG1 4.19Å; F894-T951 WeakPolarHBondContact O-CA 3.39Å; F894-I952 HydrophobicContact CD1-CB 4.48Å; F894-I952 HydrophobicContact CE1-CB 4.02Å; F894-I952 HydrophobicContact CE1-CG2 4.31Å; F894-I952 HydrophobicContact CE2-CB 4.42Å; F894-I952 HydrophobicContact CE2-CD1 4.07Å; F894-I952 HydrophobicContact CE2-CG1 4.46Å; F894-I952 HydrophobicContact CZ-CB 4Å; F894-I952 HydrophobicContact CZ-CD1 3.86Å; F894-I952 HydrophobicContact CZ-CG1 4.34Å; F894-I952 HydrophobicContact CZ-CG2 4.43Å; F894-I952 PolarHBondContact N-O 2.92Å; F894-I952 PolarHBondContact O-N 2.83Å
895	S	64.5	Low	50.2	Low	71 Å²	71	105.2 Å²	105.2	50%	0.497	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.7	-176.5	-52.1	0	0	0	0	111.5	I950 T951	S895-I950 CarbonylContact C-O 3.55Å; S895-I950 VanDerWaalsContact CA-O 3.31Å; S895-I950 WeakPolarHBondContact CA-O 3.26Å; S895-T951 WeakPolarHBondContact OG-CG2 3.3Å; S895-T951 PolarHBondContact OG-OG1 3.07Å
896	I	65.2	Low	52	Low	41 Å²	41	104.1 Å²	104.1	21%	0.21	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.1	177.8	-54.2	171.6	0	0	0	107.5	F894 I907 V911 T949 I950 I952	F894-I896 HydrophobicContact CD2-CG1 4.35Å; F894-I896 HydrophobicContact CE2-CD1 4.19Å; F894-I896 HydrophobicContact CE2-CG1 4.16Å; I896-I907 HydrophobicContact CD1-CG2 4.42Å; I896-I907 HydrophobicContact CG2-CG2 3.84Å; I896-V911 HydrophobicContact CD1-CG2 3.47Å; I896-V911 VanDerWaalsContact CD1-CG2 3.47Å; I896-T949 CarbonylContact O-C 3.42Å; I896-T949 VanDerWaalsContact O-CA 3.24Å; I896-T949 WeakPolarHBondContact O-CA 3.39Å; I896-I950 PolarHBondContact N-O 3.4Å; I896-I950 PolarHBondContact O-N 2.77Å; I896-I952 HydrophobicContact CD1-CD1 4.22Å
897	T	68.8	Low	53.6	Low	105 Å²	105	97.9 Å²	97.9	64%	0.644	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.7	173.6	-48.7	0	0	0	0	110.3	N948	T897-N948 CarbonylContact C-O 3.51Å; T897-N948 VanDerWaalsContact CA-O 3.31Å; T897-N948 WeakPolarHBondContact CA-O 3.42Å; T897-N948 WeakPolarHBondContact CG2-O 3.4Å
898	K	70.1	Confident	55.2	Low	15 Å²	15	91 Å²	91	7%	0.065	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-99.9	143.9	174.4	-46.3	-174.5	-115.3	-178.2	0	109.6	P904 I907 E945 S946 E947 N948 I950	K898-P904 HydrophobicContact CD-CG 4.31Å; K898-I907 HydrophobicContact CB-CD1 3.93Å; K898-I907 HydrophobicContact CD-CD1 4.03Å; K898-I907 HydrophobicContact CG-CD1 3.59Å; K898-E945 IonicContact NZ-OE1 3.12Å; K898-E945 PolarHBondContact NZ-OE1 3.44Å; K898-E945 IonicContact NZ-OE2 3.08Å; K898-S946 WeakPolarHBondContact CE-O 3.46Å; K898-S946 PolarHBondContact NZ-O 3Å; K898-E947 WeakPolarHBondContact CE-O 3.3Å; K898-N948 PolarHBondContact N-O 2.93Å; K898-I950 HydrophobicContact CD-CD1 3.97Å; K898-I950 HydrophobicContact CD-CG1 4.19Å; K898-I950 HydrophobicContact CG-CD1 4.23Å
899	E	70.8	Confident	56.7	Low	140 Å²	140	83.6 Å²	83.6	65%	0.654	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-83.4	154.9	164.9	-56.3	179.7	140.2	0	0	110.4	G901 Q902	E899-G901 PolarHBondContact O-N 3.17Å; E899-G901 VanDerWaalsContact O-N 3.12Å; E899-Q902 HydrophobicContact CB-CG 4.02Å; E899-Q902 WeakPolarHBondContact O-CB 3.49Å; E899-Q902 PolarHBondContact O-N 3.13Å; E899-Q902 PolarHBondContact OE2-NE2 2.69Å
900	K	62.2	Low	58.1	Low	205 Å²	205	87.2 Å²	87.2	89%	0.891	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	119	-178.9	-77.9	-172.5	172.6	-175	0	110.9
901	G	67.8	Low	59.1	Low	85 Å²	85	82.6 Å²	82.6	88%	0.876	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-5.7	179	0	0	0	0	0	115.5	E899 N903	E899-G901 PolarHBondContact O-N 3.17Å; E899-G901 VanDerWaalsContact O-N 3.12Å; G901-N903 PolarHBondContact O-N 3.19Å
902	Q	62.6	Low	59.7	Low	79 Å²	79	81.1 Å²	81.1	37%	0.369	43%	0.429	S	S	.	.			trans	-71	129.7	174.4	-69	-179.5	-13.8	0	0	111.4	E899 I907	E899-Q902 HydrophobicContact CB-CG 4.02Å; E899-Q902 WeakPolarHBondContact O-CB 3.49Å; E899-Q902 PolarHBondContact O-N 3.13Å; E899-Q902 PolarHBondContact OE2-NE2 2.69Å; Q902-I907 HydrophobicContact CB-CD1 4.01Å
903	N	71.1	Confident	60	Low	80 Å²	80	79.1 Å²	79.1	43%	0.428	41%	0.414	S	S	.	.			trans	-69.3	123.9	177.6	-174.4	-25.8	0	0	0	110.4	G901 K905 E906 I907	G901-N903 PolarHBondContact O-N 3.19Å; N903-K905 PolarHBondContact O-N 2.63Å; N903-K905 VanDerWaalsContact O-N 3.13Å; N903-K905 VanDerWaalsContact OD1-CB 3.28Å; N903-K905 WeakPolarHBondContact OD1-CB 3.31Å; N903-K905 PolarHBondContact OD1-N 3.48Å; N903-E906 HydrophobicContact CB-CB 4.25Å; N903-E906 HydrophobicContact CB-CG 4.2Å; N903-E906 PolarHBondContact O-N 2.89Å; N903-E906 VanDerWaalsContact O-N 3.12Å; N903-I907 PolarHBondContact O-N 3.21Å
904	P	59.9	Low	59.3	Low	30 Å²	30	83.2 Å²	83.2	20%	0.195	42%	0.418	C	S	.	.	H	α-helix	trans	-55	-33.6	179.1	-24.2	32.2	0	0	0	113.6	K898 I907 L908 E945 I950	K898-P904 HydrophobicContact CD-CG 4.31Å; P904-I907 PolarHBondContact O-N 2.9Å; P904-L908 PolarHBondContact O-N 3.39Å; P904-E945 WeakPolarHBondContact CB-OE2 3.48Å; P904-E945 WeakPolarHBondContact CG-OE1 3.46Å; P904-E945 WeakPolarHBondContact CG-OE2 3.38Å; P904-I950 HydrophobicContact CB-CD1 4.1Å
905	K	62.7	Low	58.8	Low	110 Å²	110	80.9 Å²	80.9	48%	0.478	41%	0.412	S	S	.	.	H	α-helix	trans	-67	-44.4	179.7	-166.7	169	-174.2	174	0	111.8	N903 I907 L908 D909 T925	N903-K905 PolarHBondContact O-N 2.63Å; N903-K905 VanDerWaalsContact O-N 3.13Å; N903-K905 VanDerWaalsContact OD1-CB 3.28Å; N903-K905 WeakPolarHBondContact OD1-CB 3.31Å; N903-K905 PolarHBondContact OD1-N 3.48Å; K905-I907 VanDerWaalsContact C-N 3.25Å; K905-I907 PolarHBondContact O-N 3.08Å; K905-L908 PolarHBondContact O-N 3.46Å; K905-D909 WeakPolarHBondContact O-CB 3.18Å; K905-D909 PolarHBondContact O-N 2.86Å; K905-T925 WeakPolarHBondContact CE-OG1 3.42Å; K905-T925 HydrophobicContact CG-CG2 4.32Å
906	E	63.6	Low	57.2	Low	108 Å²	108	83.5 Å²	83.5	51%	0.505	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-28.9	175.6	-80.7	-163.8	-147.5	0	0	113.7	N903 K910	N903-E906 HydrophobicContact CB-CB 4.25Å; N903-E906 HydrophobicContact CB-CG 4.2Å; N903-E906 PolarHBondContact O-N 2.89Å; N903-E906 VanDerWaalsContact O-N 3.12Å; E906-K910 WeakPolarHBondContact O-CD 3.36Å; E906-K910 WeakPolarHBondContact O-CE 3.47Å; E906-K910 VanDerWaalsContact O-CG 3.27Å; E906-K910 WeakPolarHBondContact O-CG 3.28Å; E906-K910 PolarHBondContact O-NZ 2.83Å; E906-K910 IonicContact OE2-NZ 2.81Å; E906-K910 PolarHBondContact OE2-NZ 3.37Å; E906-K910 VanDerWaalsContact OE2-NZ 3.08Å
907	I	60.1	Low	55.7	Low	24 Å²	24	88.4 Å²	88.4	12%	0.123	45%	0.454	C	S	.	.	H	α-helix	trans	-70.9	-51.8	174.4	-62.9	172.8	0	0	0	108.7	I896 K898 Q902 N903 P904 K905 D909 K910 V911 I950	I896-I907 HydrophobicContact CD1-CG2 4.42Å; I896-I907 HydrophobicContact CG2-CG2 3.84Å; K898-I907 HydrophobicContact CB-CD1 3.93Å; K898-I907 HydrophobicContact CD-CD1 4.03Å; K898-I907 HydrophobicContact CG-CD1 3.59Å; Q902-I907 HydrophobicContact CB-CD1 4.01Å; N903-I907 PolarHBondContact O-N 3.21Å; P904-I907 PolarHBondContact O-N 2.9Å; K905-I907 VanDerWaalsContact C-N 3.25Å; K905-I907 PolarHBondContact O-N 3.08Å; I907-D909 PolarHBondContact O-N 3.15Å; I907-K910 PolarHBondContact O-N 3.2Å; I907-K910 VanDerWaalsContact O-N 3.14Å; I907-V911 WeakPolarHBondContact O-CG2 3.38Å; I907-V911 PolarHBondContact O-N 3.27Å; I907-I950 HydrophobicContact CB-CD1 4.1Å; I907-I950 HydrophobicContact CD1-CD1 4.28Å; I907-I950 HydrophobicContact CG2-CD1 4.01Å
908	L	56.4	Low	54.1	Low	9 Å²	9	86.4 Å²	86.4	5%	0.047	45%	0.448	C	S	.	.	H	α-helix	trans	-66	-35.3	-178.8	-78	164.4	0	0	0	113.5	P904 K905 K910 V911 C923 T925 I950 I952	P904-L908 PolarHBondContact O-N 3.39Å; K905-L908 PolarHBondContact O-N 3.46Å; L908-K910 PolarHBondContact O-N 2.83Å; L908-K910 VanDerWaalsContact O-N 3.13Å; L908-V911 PolarHBondContact O-N 3.5Å; L908-C923 HydrophobicContact CB-CB 4.4Å; L908-C923 HydrophobicContact CD2-CB 3.74Å; L908-T925 HydrophobicContact CB-CG2 4.06Å; L908-T925 HydrophobicContact CD1-CG2 3.63Å; L908-T925 HydrophobicContact CG-CG2 4.49Å; L908-I950 HydrophobicContact CD1-CD1 4.41Å; L908-I950 HydrophobicContact CD1-CG2 4.2Å; L908-I950 HydrophobicContact CD2-CG2 3.98Å; L908-I950 HydrophobicContact CG-CD1 4.31Å; L908-I950 HydrophobicContact CG-CG2 4.24Å; L908-I952 HydrophobicContact CD2-CD1 3.78Å; L908-I952 HydrophobicContact CD2-CG1 4.47Å
909	D	56.9	Low	52.6	Low	55 Å²	55	91.8 Å²	91.8	29%	0.294	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22	173.7	-86.9	-45.2	0	0	0	113.3	K905 I907 K922	K905-D909 WeakPolarHBondContact O-CB 3.18Å; K905-D909 PolarHBondContact O-N 2.86Å; I907-D909 PolarHBondContact O-N 3.15Å; D909-K922 WeakPolarHBondContact OD1-CE 3.45Å; D909-K922 IonicContact OD1-NZ 2.73Å; D909-K922 PolarHBondContact OD1-NZ 2.74Å
910	K	55.8	Low	50.9	Low	141 Å²	141	90.7 Å²	90.7	61%	0.613	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.3	178.6	-63	164.7	-164	154.4	0	112.7	E906 I907 L908	E906-K910 WeakPolarHBondContact O-CD 3.36Å; E906-K910 WeakPolarHBondContact O-CE 3.47Å; E906-K910 VanDerWaalsContact O-CG 3.27Å; E906-K910 WeakPolarHBondContact O-CG 3.28Å; E906-K910 PolarHBondContact O-NZ 2.83Å; E906-K910 IonicContact OE2-NZ 2.81Å; E906-K910 PolarHBondContact OE2-NZ 3.37Å; E906-K910 VanDerWaalsContact OE2-NZ 3.08Å; I907-K910 PolarHBondContact O-N 3.2Å; I907-K910 VanDerWaalsContact O-N 3.14Å; L908-K910 PolarHBondContact O-N 2.83Å; L908-K910 VanDerWaalsContact O-N 3.13Å
911	V	46.8	Very low	50.1	Low	23 Å²	23	82.6 Å²	82.6	14%	0.139	44%	0.437	C	S	.	.			trans	-93.1	119.3	-178.8	174.4	0	0	0	0	111.1	I896 I907 L908 I913 I952	I896-V911 HydrophobicContact CD1-CG2 3.47Å; I896-V911 VanDerWaalsContact CD1-CG2 3.47Å; I907-V911 WeakPolarHBondContact O-CG2 3.38Å; I907-V911 PolarHBondContact O-N 3.27Å; L908-V911 PolarHBondContact O-N 3.5Å; V911-I913 HydrophobicContact CG1-CG1 4.16Å; V911-I952 HydrophobicContact CG1-CD1 4.01Å
912	Y	46.9	Very low	48.9	Very low	135 Å²	135	83.5 Å²	83.5	53%	0.529	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.3	172.8	-65.7	-84.6	0	0	0	109.9	L920 K922	Y912-L920 HydrophobicContact CD1-CD2 3.58Å; Y912-L920 HydrophobicContact CD1-CG 4.01Å; Y912-L920 HydrophobicContact CE1-CD2 4.07Å; Y912-L920 HydrophobicContact CG-CD2 4.17Å; Y912-K922 HydrophobicContact CE1-CB 4.29Å; Y912-K922 HydrophobicContact CE1-CG 4.43Å
913	I	47.2	Very low	48.2	Very low	33 Å²	33	80 Å²	80	17%	0.169	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	178.8	-61.5	177.6	0	0	0	109	F894 V911 V921 L941 I952	F894-I913 HydrophobicContact CE1-CD1 3.9Å; F894-I913 HydrophobicContact CE1-CG1 4.47Å; F894-I913 HydrophobicContact CZ-CD1 3.82Å; F894-I913 HydrophobicContact CZ-CG1 4.19Å; V911-I913 HydrophobicContact CG1-CG1 4.16Å; I913-V921 PolarHBondContact N-O 2.87Å; I913-V921 VanDerWaalsContact N-O 3.16Å; I913-V921 PolarHBondContact O-N 2.87Å; I913-L941 HydrophobicContact CD1-CD1 3.92Å; I913-L941 HydrophobicContact CD1-CD2 3.79Å; I913-I952 HydrophobicContact CD1-CG2 3.94Å
914	Y	35.7	Very low	46.9	Very low	162 Å²	162	81.3 Å²	81.3	64%	0.635	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.7	176.9	-168.9	-91.8	0	0	0	110.2	A918 L920	Y914-A918 HydrophobicContact CE2-CB 4.49Å; Y914-A918 WeakPolarHBondContact OH-CB 3.43Å; Y914-L920 HydrophobicContact CD2-CD1 4.45Å
915	T	39.9	Very low	45.8	Very low	47 Å²	47	82.6 Å²	82.6	29%	0.288	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-92.5	154.7	174.3	61.6	0	0	0	0	110.8	N917 A918 K919	T915-N917 PolarHBondContact O-N 2.83Å; T915-A918 PolarHBondContact O-N 3.23Å; T915-K919 PolarHBondContact OG1-O 2.98Å
916	P	30	Very low	44.5	Very low	127 Å²	127	81.5 Å²	81.5	83%	0.825	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.2	179.9	-28	36.3	0	0	0	115.1	A918	P916-A918 VanDerWaalsContact C-N 3.28Å; P916-A918 PolarHBondContact O-N 2.99Å
917	N	34.7	Very low	43.2	Very low	144 Å²	144	83 Å²	83	77%	0.77	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	21.1	179	-62.2	-5.1	0	0	0	112.9	T915 K919	T915-N917 PolarHBondContact O-N 2.83Å; N917-K919 PolarHBondContact O-N 2.75Å
918	A	34.8	Very low	41.7	Very low	63 Å²	63	85.3 Å²	85.3	52%	0.521	47%	0.468	S	S	.	.			trans	58.8	4.5	173.9	0	0	0	0	0	117.7	Y914 T915 P916 L920	Y914-A918 HydrophobicContact CE2-CB 4.49Å; Y914-A918 WeakPolarHBondContact OH-CB 3.43Å; T915-A918 PolarHBondContact O-N 3.23Å; P916-A918 VanDerWaalsContact C-N 3.28Å; P916-A918 PolarHBondContact O-N 2.99Å; A918-L920 PolarHBondContact O-N 3.4Å
919	K	38.6	Very low	40.3	Very low	127 Å²	127	94.4 Å²	94.4	55%	0.552	51%	0.507	S	S	*	.			trans	-71.6	125.4	167.7	-73	-166.5	177.9	-168.3	0	110.1	T915 N917	T915-K919 PolarHBondContact OG1-O 2.98Å; N917-K919 PolarHBondContact O-N 2.75Å
920	L	34.3	Very low	38.8	Very low	118 Å²	118	103.6 Å²	103.6	62%	0.618	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	128	160.9	-120.6	71.3	0	0	0	108.6	Y912 Y914 A918	Y912-L920 HydrophobicContact CD1-CD2 3.58Å; Y912-L920 HydrophobicContact CD1-CG 4.01Å; Y912-L920 HydrophobicContact CE1-CD2 4.07Å; Y912-L920 HydrophobicContact CG-CD2 4.17Å; Y914-L920 HydrophobicContact CD2-CD1 4.45Å; A918-L920 PolarHBondContact O-N 3.4Å
921	V	45.4	Very low	37.3	Very low	34 Å²	34	106.7 Å²	106.7	21%	0.206	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	126.4	169	-175.5	0	0	0	0	108.1	I913 L941	I913-V921 PolarHBondContact N-O 2.87Å; I913-V921 VanDerWaalsContact N-O 3.16Å; I913-V921 PolarHBondContact O-N 2.87Å; V921-L941 HydrophobicContact CB-CD1 4.5Å; V921-L941 HydrophobicContact CG1-CD1 3.92Å
922	K	43.5	Very low	36.3	Very low	104 Å²	104	112.5 Å²	112.5	45%	0.452	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88	136.5	170.4	-173.5	-171.9	175.9	-163.4	0	108.5	D909 Y912 D924	D909-K922 WeakPolarHBondContact OD1-CE 3.45Å; D909-K922 IonicContact OD1-NZ 2.73Å; D909-K922 PolarHBondContact OD1-NZ 2.74Å; Y912-K922 HydrophobicContact CE1-CB 4.29Å; Y912-K922 HydrophobicContact CE1-CG 4.43Å; K922-D924 PolarHBondContact O-N 2.73Å
923	C	46.9	Very low	35.2	Very low	5 Å²	5	115.1 Å²	115.1	3%	0.034	60%	0.6	C	S	.	*			trans	-76.4	114.5	174.2	-63.6	0	0	0	0	110.5	L908	L908-C923 HydrophobicContact CB-CB 4.4Å; L908-C923 HydrophobicContact CD2-CB 3.74Å
924	D	44.2	Very low	34	Very low	108 Å²	108	118.3 Å²	118.3	58%	0.578	63%	0.626	S	S	*	*			trans	-90.4	158.6	171.6	-167.6	20.5	0	0	0	111.7	K922 S926	K922-D924 PolarHBondContact O-N 2.73Å; D924-S926 VanDerWaalsContact CG-OG 3.25Å; D924-S926 VanDerWaalsContact OD2-CB 3.25Å; D924-S926 WeakPolarHBondContact OD2-CB 3.41Å; D924-S926 PolarHBondContact OD2-OG 2.88Å
925	T	38.2	Very low	33.5	Very low	58 Å²	58	119 Å²	119	36%	0.356	64%	0.635	S	S	.	*			trans	-113.9	25.3	-168.7	43.7	0	0	0	0	113.1	K905 L908	K905-T925 WeakPolarHBondContact CE-OG1 3.42Å; K905-T925 HydrophobicContact CG-CG2 4.32Å; L908-T925 HydrophobicContact CB-CG2 4.06Å; L908-T925 HydrophobicContact CD1-CG2 3.63Å; L908-T925 HydrophobicContact CG-CG2 4.49Å
926	S	35.1	Very low	32.8	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	66%	0.662	S	S	*	*			trans	-101.3	22	-156.9	50.2	0	0	0	0	116.7	D924	D924-S926 VanDerWaalsContact CG-OG 3.25Å; D924-S926 VanDerWaalsContact OD2-CB 3.25Å; D924-S926 WeakPolarHBondContact OD2-CB 3.41Å; D924-S926 PolarHBondContact OD2-OG 2.88Å
927	V	36.1	Very low	32.6	Very low	140 Å²	140	124 Å²	124	85%	0.848	66%	0.661	S	S	*	*			trans	-121.3	92.5	-179.8	-171.5	0	0	0	0	113.1
928	G	28.7	Very low	32.4	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	66%	0.659	S	S	*	*			trans	-113.5	99.5	166.8	0	0	0	0	0	112.4
929	K	26.5	Very low	32.5	Very low	200 Å²	200	125.7 Å²	125.7	87%	0.87	66%	0.663	S	S	*	*	S	Bend	trans	65.2	126.4	167.4	-63.3	175.4	177.7	172.6	0	118.9
930	R	25.9	Very low	32.7	Very low	248 Å²	248	124 Å²	124	94%	0.936	66%	0.659	S	S	*	*			trans	81.4	150.7	155.2	-68.4	179.6	171.4	166.1	-3.3	119.6
931	F	23.7	Very low	33.4	Very low	207 Å²	207	120.5 Å²	120.5	91%	0.908	64%	0.641	S	S	*	*			trans	-58	136.1	-173.9	-68.1	-104	0	0	0	115.4
932	V	26	Very low	33.9	Very low	144 Å²	144	121.7 Å²	121.7	87%	0.873	65%	0.647	S	S	*	*			trans	-140.6	158.2	147.2	-170.1	0	0	0	0	108.2
933	K	23.5	Very low	34.2	Very low	190 Å²	190	119.2 Å²	119.2	83%	0.826	64%	0.642	S	S	*	*			trans	-92.8	177.8	176.5	-70.5	-179.7	176.2	177.8	0	111.9
934	S	22.9	Very low	35	Very low	100 Å²	100	125.6 Å²	125.6	70%	0.699	67%	0.666	S	S	*	*			trans	67.8	124.3	165.7	48.5	0	0	0	0	119.8
935	Q	24.9	Very low	35.9	Very low	178 Å²	178	126.2 Å²	126.2	83%	0.832	67%	0.666	S	S	*	*	S	Bend	trans	46.6	87.6	145.1	-64	159.1	-68.2	0	0	116
936	D	24.8	Very low	37.4	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	67%	0.669	S	S	*	*				-161.3	154.8	69.9	-93	-29.7	0	0	0	112.2
937	C	26	Very low	38.8	Very low	117 Å²	117	130.6 Å²	130.6	79%	0.791	68%	0.679	S	S	*	*			trans	-142.8	98.2	-174.5	-68.9	0	0	0	0	114.4
938	Q	30.1	Very low	40.4	Very low	158 Å²	158	127.8 Å²	127.8	74%	0.738	66%	0.659	S	S	*	*			trans	-137.8	44.6	162.5	-72.3	-157.8	11.8	0	0	113.8
939	S	38	Very low	42	Very low	85 Å²	85	126.2 Å²	126.2	59%	0.594	64%	0.636	S	S	*	*			trans	-152.9	81.6	172.3	48.6	0	0	0	0	113.7	L941	S939-L941 VanDerWaalsContact C-N 3.29Å; S939-L941 PolarHBondContact O-N 3.18Å
940	N	42.6	Very low	44.2	Very low	91 Å²	91	116.8 Å²	116.8	49%	0.487	59%	0.594	S	S	.	*			trans	-84	63.1	177.3	-72	-0.1	0	0	0	112.6
941	L	48.9	Very low	46	Very low	44 Å²	44	106.5 Å²	106.5	23%	0.23	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	125.1	176.1	-70.6	167.5	0	0	0	109.7	I913 V921 S939 I952	I913-L941 HydrophobicContact CD1-CD1 3.92Å; I913-L941 HydrophobicContact CD1-CD2 3.79Å; V921-L941 HydrophobicContact CB-CD1 4.5Å; V921-L941 HydrophobicContact CG1-CD1 3.92Å; S939-L941 VanDerWaalsContact C-N 3.29Å; S939-L941 PolarHBondContact O-N 3.18Å; L941-I952 HydrophobicContact CD2-CG2 4.15Å
942	N	54.7	Low	47.8	Very low	60 Å²	60	96.7 Å²	96.7	32%	0.321	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.2	172.7	-60.3	-47.7	0	0	0	109.6	Y944 I952 T953 N955	N942-Y944 HydrophobicContact CB-CE2 3.77Å; N942-I952 WeakPolarHBondContact O-CA 3.32Å; N942-T953 WeakPolarHBondContact CB-OG1 3.35Å; N942-T953 PolarHBondContact N-O 3.27Å; N942-T953 PolarHBondContact O-N 3.2Å; N942-T953 PolarHBondContact O-OG1 2.82Å; N942-N955 PolarHBondContact ND2-ND2 3.44Å
943	C	51.6	Low	49.1	Very low	52 Å²	52	91.1 Å²	91.1	35%	0.351	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.3	175.9	-64.4	0	0	0	0	110
944	Y	62.1	Low	50.3	Low	138 Å²	138	84.6 Å²	84.6	54%	0.541	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.8	176.9	-59.5	-86	0	0	0	109.7	N942 I950 T951 T953	N942-Y944 HydrophobicContact CB-CE2 3.77Å; Y944-I950 CarbonylContact O-C 3.55Å; Y944-I950 WeakPolarHBondContact O-CA 3.27Å; Y944-T951 PolarHBondContact N-O 3.16Å; Y944-T951 PolarHBondContact O-N 2.7Å; Y944-T953 HydrophobicContact CD2-CG2 4.3Å; Y944-T953 HydrophobicContact CE2-CG2 4.08Å
945	E	63.4	Low	51.2	Low	122 Å²	122	84.5 Å²	84.5	57%	0.57	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.3	-179.9	170.3	153.2	179.7	0	0	111.6	K898 P904	K898-E945 IonicContact NZ-OE1 3.12Å; K898-E945 PolarHBondContact NZ-OE1 3.44Å; K898-E945 IonicContact NZ-OE2 3.08Å; P904-E945 WeakPolarHBondContact CB-OE2 3.48Å; P904-E945 WeakPolarHBondContact CG-OE1 3.46Å; P904-E945 WeakPolarHBondContact CG-OE2 3.38Å
946	S	69.7	Low	51.7	Low	62 Å²	62	80.3 Å²	80.3	43%	0.434	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	170.4	160.1	70.4	0	0	0	0	109.8	K898 N948 T949	K898-S946 WeakPolarHBondContact CE-O 3.46Å; K898-S946 PolarHBondContact NZ-O 3Å; S946-N948 VanDerWaalsContact C-N 3.29Å; S946-N948 PolarHBondContact O-N 3.32Å; S946-N948 VanDerWaalsContact O-N 3.14Å; S946-T949 PolarHBondContact N-O 3.02Å; S946-T949 PolarHBondContact O-N 3.48Å; S946-T949 VanDerWaalsContact O-O 3.05Å; S946-T949 PolarHBondContact OG-O 2.95Å; S946-T949 PolarHBondContact OG-OG1 3.47Å
947	E	65.5	Low	51.9	Low	173 Å²	173	79.4 Å²	79.4	81%	0.808	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-51.3	-173.6	-64.1	-175.1	122.9	0	0	113.2	K898	K898-E947 WeakPolarHBondContact CE-O 3.3Å
948	N	69.3	Low	51.9	Low	81 Å²	81	77.3 Å²	77.3	43%	0.433	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	1.9	-174.2	-60	-64.1	0	0	0	113.8	T897 K898 S946	T897-N948 CarbonylContact C-O 3.51Å; T897-N948 VanDerWaalsContact CA-O 3.31Å; T897-N948 WeakPolarHBondContact CA-O 3.42Å; T897-N948 WeakPolarHBondContact CG2-O 3.4Å; K898-N948 PolarHBondContact N-O 2.93Å; S946-N948 VanDerWaalsContact C-N 3.29Å; S946-N948 PolarHBondContact O-N 3.32Å; S946-N948 VanDerWaalsContact O-N 3.14Å
949	T	61.7	Low	51.8	Low	40 Å²	40	74.3 Å²	74.3	25%	0.245	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.4	178.1	66.7	0	0	0	0	114.4	I896 S946	I896-T949 CarbonylContact O-C 3.42Å; I896-T949 VanDerWaalsContact O-CA 3.24Å; I896-T949 WeakPolarHBondContact O-CA 3.39Å; S946-T949 PolarHBondContact N-O 3.02Å; S946-T949 PolarHBondContact O-N 3.48Å; S946-T949 VanDerWaalsContact O-O 3.05Å; S946-T949 PolarHBondContact OG-O 2.95Å; S946-T949 PolarHBondContact OG-OG1 3.47Å
950	I	72	Confident	51.2	Low	1 Å²	1	76.5 Å²	76.5	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	164.3	-67.4	151.9	0	0	0	107.4	S895 I896 K898 P904 I907 L908 Y944 I952	S895-I950 CarbonylContact C-O 3.55Å; S895-I950 VanDerWaalsContact CA-O 3.31Å; S895-I950 WeakPolarHBondContact CA-O 3.26Å; I896-I950 PolarHBondContact N-O 3.4Å; I896-I950 PolarHBondContact O-N 2.77Å; K898-I950 HydrophobicContact CD-CD1 3.97Å; K898-I950 HydrophobicContact CD-CG1 4.19Å; K898-I950 HydrophobicContact CG-CD1 4.23Å; P904-I950 HydrophobicContact CB-CD1 4.1Å; I907-I950 HydrophobicContact CB-CD1 4.1Å; I907-I950 HydrophobicContact CD1-CD1 4.28Å; I907-I950 HydrophobicContact CG2-CD1 4.01Å; L908-I950 HydrophobicContact CD1-CD1 4.41Å; L908-I950 HydrophobicContact CD1-CG2 4.2Å; L908-I950 HydrophobicContact CD2-CG2 3.98Å; L908-I950 HydrophobicContact CG-CD1 4.31Å; L908-I950 HydrophobicContact CG-CG2 4.24Å; Y944-I950 CarbonylContact O-C 3.55Å; Y944-I950 WeakPolarHBondContact O-CA 3.27Å; I950-I952 HydrophobicContact CG2-CG1 4.13Å
951	T	65.1	Low	50.4	Low	33 Å²	33	79.2 Å²	79.2	20%	0.202	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.5	176.1	-61.4	0	0	0	0	109.9	F894 S895 Y944 T953	F894-T951 WeakPolarHBondContact O-CA 3.39Å; S895-T951 WeakPolarHBondContact OG-CG2 3.3Å; S895-T951 PolarHBondContact OG-OG1 3.07Å; Y944-T951 PolarHBondContact N-O 3.16Å; Y944-T951 PolarHBondContact O-N 2.7Å; T951-T953 HydrophobicContact CG2-CG2 4.26Å
952	I	61.4	Low	49.2	Very low	1 Å²	1	81.5 Å²	81.5	1%	0.005	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.1	178.1	-49.8	-177.9	0	0	0	108.3	S893 F894 I896 L908 V911 I913 L941 N942 I950	S893-I952 WeakPolarHBondContact CA-O 3.37Å; F894-I952 HydrophobicContact CD1-CB 4.48Å; F894-I952 HydrophobicContact CE1-CB 4.02Å; F894-I952 HydrophobicContact CE1-CG2 4.31Å; F894-I952 HydrophobicContact CE2-CB 4.42Å; F894-I952 HydrophobicContact CE2-CD1 4.07Å; F894-I952 HydrophobicContact CE2-CG1 4.46Å; F894-I952 HydrophobicContact CZ-CB 4Å; F894-I952 HydrophobicContact CZ-CD1 3.86Å; F894-I952 HydrophobicContact CZ-CG1 4.34Å; F894-I952 HydrophobicContact CZ-CG2 4.43Å; F894-I952 PolarHBondContact N-O 2.92Å; F894-I952 PolarHBondContact O-N 2.83Å; I896-I952 HydrophobicContact CD1-CD1 4.22Å; L908-I952 HydrophobicContact CD2-CD1 3.78Å; L908-I952 HydrophobicContact CD2-CG1 4.47Å; V911-I952 HydrophobicContact CG1-CD1 4.01Å; I913-I952 HydrophobicContact CD1-CG2 3.94Å; L941-I952 HydrophobicContact CD2-CG2 4.15Å; N942-I952 WeakPolarHBondContact O-CA 3.32Å; I950-I952 HydrophobicContact CG2-CG1 4.13Å
953	T	52.2	Low	47.8	Very low	26 Å²	26	84.6 Å²	84.6	16%	0.16	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.3	178.5	64.5	0	0	0	0	110.9	P892 N942 Y944 T951	P892-T953 VanDerWaalsContact O-CA 3.27Å; P892-T953 WeakPolarHBondContact O-CA 3.32Å; P892-T953 VanDerWaalsContact O-CB 3.23Å; P892-T953 WeakPolarHBondContact O-CB 3.42Å; N942-T953 WeakPolarHBondContact CB-OG1 3.35Å; N942-T953 PolarHBondContact N-O 3.27Å; N942-T953 PolarHBondContact O-N 3.2Å; N942-T953 PolarHBondContact O-OG1 2.82Å; Y944-T953 HydrophobicContact CD2-CG2 4.3Å; Y944-T953 HydrophobicContact CE2-CG2 4.08Å; T951-T953 HydrophobicContact CG2-CG2 4.26Å
954	S	49.5	Very low	46.5	Very low	54 Å²	54	91.6 Å²	91.6	38%	0.378	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.7	177.7	-179.7	0	0	0	0	109.5	P892 N956	P892-S954 PolarHBondContact O-N 3.04Å; S954-N956 PolarHBondContact O-N 2.96Å
955	N	42	Very low	44.8	Very low	98 Å²	98	91 Å²	91	52%	0.524	52%	0.524	S	S	.	.			trans	-75.7	96.4	176.3	-78.8	0.1	0	0	0	109.6	N942 I957	N942-N955 PolarHBondContact ND2-ND2 3.44Å; N955-I957 PolarHBondContact O-N 2.98Å
956	N	36	Very low	43.1	Very low	90 Å²	90	94.3 Å²	94.3	48%	0.481	54%	0.539	S	S	.	.			trans	-66.1	119.2	179.5	-95.4	-50.7	0	0	0	112.1	S954 N958	S954-N956 PolarHBondContact O-N 2.96Å; N956-N958 PolarHBondContact O-N 3.34Å
957	I	27.3	Very low	40.9	Very low	141 Å²	141	98.3 Å²	98.3	72%	0.723	56%	0.556	S	S	*	*			trans	-75.1	116.7	170.1	-61.4	172.1	0	0	0	107.9	N955	N955-I957 PolarHBondContact O-N 2.98Å
958	N	26.7	Very low	39	Very low	73 Å²	73	98.2 Å²	98.2	39%	0.39	56%	0.557	S	S	.	*			trans	-136	80.7	-172.7	-141.3	-2.5	0	0	0	112.5	K887 R888 N956	K887-N958 PolarHBondContact NZ-O 3.21Å; R888-N958 PolarHBondContact O-ND2 3.14Å; N956-N958 PolarHBondContact O-N 3.34Å
959	S	27.8	Very low	36.8	Very low	96 Å²	96	102 Å²	102	67%	0.671	57%	0.572	S	S	*	*			trans	-158.6	89.9	170.2	55.8	0	0	0	0	113.2
960	T	25.2	Very low	35.2	Very low	131 Å²	131	110.9 Å²	110.9	80%	0.804	60%	0.603	S	S	*	*			trans	-85.9	122.5	153	41.8	0	0	0	0	109.5
961	T	27.1	Very low	33	Very low	148 Å²	148	114.7 Å²	114.7	91%	0.908	63%	0.629	S	S	*	*			trans	160.3	151.7	136.1	37.2	0	0	0	0	109.6
962	A	23.8	Very low	31.3	Very low	92 Å²	92	120.1 Å²	120.1	76%	0.76	66%	0.657	S	S	*	*			trans	-106.4	-179.2	-175.7	0	0	0	0	0	112.2
963	S	25	Very low	29.4	Very low	125 Å²	125	125.9 Å²	125.9	87%	0.874	70%	0.698	S	S	*	*			trans	84.9	148.7	167.1	-57.4	0	0	0	0	117.8
964	K	24.1	Very low	28.1	Very low	198 Å²	198	129.6 Å²	129.6	86%	0.861	72%	0.724	S	S	*	*			trans	-81.3	171.5	-162.2	-60.9	175	177.9	177.4	0	113.6
965	V	26	Very low	27	Very low	127 Å²	127	132.4 Å²	132.4	77%	0.77	74%	0.739	S	S	*	*			trans	78.9	105.8	166.6	-167.4	0	0	0	0	115.1
966	Q	27.1	Very low	26.3	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-90.2	128.5	158.1	-72.5	-178.2	-28.9	0	0	109.1
967	N	23.9	Very low	25.8	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-100.2	144.5	155.8	-85.8	-15.3	0	0	0	108.7
968	M	25.2	Very low	26.3	Very low	170 Å²	170	136.8 Å²	136.8	84%	0.837	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-92.2	133.7	175.6	-67.6	-163.3	-65.3	0	0	111.9
969	H	24.2	Very low	26.4	Very low	160 Å²	160	140.2 Å²	140.2	74%	0.741	78%	0.782	S	S	*	*			trans	-107.1	150.6	140.5	-70.4	-73.9	0	0	0	105.9
970	Y	28.8	Very low	26.3	Very low	228 Å²	228	145.2 Å²	145.2	89%	0.894	79%	0.792	S	S	*	*			cis	-135.9	140.1	46.5	-79.6	-99.4	0	0	0	115.3
971	S	25.5	Very low	26.4	Very low	80 Å²	80	143.5 Å²	143.5	56%	0.559	79%	0.785	S	S	*	*			trans	-70.1	150	147	45.7	0	0	0	0	110.5
972	N	27.8	Very low	26.6	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	78%	0.781	S	S	*	*			cis	-150.8	144.5	10.6	-98.3	-23.4	0	0	0	111.1
973	S	23.1	Very low	26.8	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	78%	0.783	S	S	*	*			trans	-158.4	85.8	148.2	62.5	0	0	0	0	111.1
974	C	25.2	Very low	27	Very low	104 Å²	104	150.1 Å²	150.1	70%	0.703	78%	0.779	S	S	*	*			trans	-72.5	153.5	164.4	-66.4	0	0	0	0	109.6
975	T	26.4	Very low	27.3	Very low	112 Å²	112	146 Å²	146	69%	0.687	77%	0.766	S	S	*	*			cis	-171.5	166.5	-0.6	15.1	0	0	0	0	112
976	T	27	Very low	27.5	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	77%	0.765	S	S	*	*			trans	66.8	142.6	141.3	52.7	0	0	0	0	121.9
977	K	25.3	Very low	27.5	Very low	195 Å²	195	142 Å²	142	85%	0.848	75%	0.753	S	S	*	*				177.3	175.5	111.9	-96.9	171.1	-175.4	-177.8	0	109.6
978	P	37.7	Very low	27.8	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	76%	0.756	S	S	*	*			cis	-127.2	175.3	-5.5	37.3	-21	0	0	0	114.5
979	I	27.4	Very low	28	Very low	146 Å²	146	140.4 Å²	140.4	75%	0.749	75%	0.747	S	S	*	*	S	Bend		-166.1	130.1	113.5	-97.4	165.2	0	0	0	108.2
980	F	26.8	Very low	28.3	Very low	201 Å²	201	141.4 Å²	141.4	88%	0.882	75%	0.75	S	S	*	*	S	Bend	trans	56.7	134.7	-171.5	-68.5	-72.2	0	0	0	116.4
981	S	27.8	Very low	28.3	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	73%	0.731	S	S	*	*			cis	-152.2	150.6	-2.9	57.7	0	0	0	0	113.4
982	Q	30.2	Very low	28.6	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	74%	0.74	S	S	*	*			trans	68.5	111.6	158.3	-64.9	175.3	0	0	0	122.7
983	C	27.8	Very low	28.7	Very low	119 Å²	119	138.6 Å²	138.6	80%	0.804	73%	0.728	S	S	*	*			trans	59.3	145.5	133.7	-56.5	0	0	0	0	122.5
984	R	29.6	Very low	28.9	Very low	210 Å²	210	139.4 Å²	139.4	79%	0.792	72%	0.723	S	S	*	*			cis	-165.8	144.4	-5.1	-121.9	-173.4	139.4	145.9	1.7	113.7
985	D	30.2	Very low	28.9	Very low	110 Å²	110	141.3 Å²	141.3	59%	0.588	73%	0.726	S	S	*	*			trans	55.2	-174.8	146.8	-51	-15.6	0	0	0	122
986	N	30	Very low	28.9	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	72%	0.724	S	S	*	*				-165.4	174.8	-71.8	-78.1	-23.2	0	0	0	110.9
987	S	28.2	Very low	28.8	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	73%	0.725	S	S	*	*			cis	-175	130.4	-44.1	60	0	0	0	0	114.6
988	E	29.8	Very low	28.8	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	72%	0.718	S	S	*	*			trans	61.9	-179.4	158	-52.5	-176	-151.4	0	0	121
989	T	30.1	Very low	28.2	Very low	107 Å²	107	139.4 Å²	139.4	66%	0.656	72%	0.716	S	S	*	*			cis	-158.3	150.1	2.9	-23.6	0	0	0	0	115
990	F	29.6	Very low	28	Very low	181 Å²	181	139 Å²	139	79%	0.794	71%	0.714	S	S	*	*			trans	44.8	168.5	145.1	-87.6	-154.2	0	0	0	126.1
991	R	29.2	Very low	27.9	Very low	132 Å²	132	139.1 Å²	139.1	50%	0.498	71%	0.709	S	S	.	*			cis	177.9	-175.9	-32.4	-162.8	-121.2	-164	-152.2	14	112.4	E876 D993	E876-R991 PolarHBondContact O-NE 2.93Å; E876-R991 PolarHBondContact O-NH2 3.44Å; R991-D993 IonicContact CZ-OD1 3.31Å; R991-D993 IonicContact NH1-OD1 3.84Å; R991-D993 PolarHBondContact NH1-OD1 2.91Å; R991-D993 IonicContact NH1-OD2 3.35Å
992	Q	31.4	Very low	27.9	Very low	162 Å²	162	141.4 Å²	141.4	76%	0.757	71%	0.708	S	S	*	*			trans	88	155	166	-59.3	-172.4	-107.7	0	0	119
993	D	30.4	Very low	27.8	Very low	101 Å²	101	138.9 Å²	138.9	54%	0.54	70%	0.701	S	S	.	*			cis	-160.9	-155.7	-27.6	-81.6	-23.6	0	0	0	107.1	R991	R991-D993 IonicContact CZ-OD1 3.31Å; R991-D993 IonicContact NH1-OD1 3.84Å; R991-D993 PolarHBondContact NH1-OD1 2.91Å; R991-D993 IonicContact NH1-OD2 3.35Å
994	L	26.5	Very low	27.6	Very low	141 Å²	141	139.3 Å²	139.3	74%	0.738	70%	0.695	S	S	*	*			cis	-167.1	136	6.3	-139.4	177.6	0	0	0	112.9
995	N	26.3	Very low	27.4	Very low	144 Å²	144	137 Å²	137	77%	0.77	70%	0.698	S	S	*	*			trans	52.6	128.4	157.2	-80.3	-3.5	0	0	0	129.9
996	S	25.3	Very low	27.1	Very low	92 Å²	92	137 Å²	137	64%	0.643	71%	0.707	S	S	*	*				96.1	109.1	128	-72.4	0	0	0	0	126.3
997	I	25.6	Very low	27.1	Very low	144 Å²	144	135.7 Å²	135.7	74%	0.738	71%	0.706	S	S	*	*				55.6	114.2	125	-56.3	168	0	0	0	120
998	N	24.3	Very low	26.8	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	72%	0.718	S	S	*	*				171.9	160.8	96.4	-131.4	-21.1	0	0	0	115.2
999	N	26.3	Very low	26.7	Very low	126 Å²	126	140.3 Å²	140.3	67%	0.674	72%	0.717	S	S	*	*			trans	61.9	156.4	151	-68	-23.3	0	0	0	121.7
1000	I	23.4	Very low	26.4	Very low	138 Å²	138	143.5 Å²	143.5	71%	0.708	73%	0.725	S	S	*	*			cis	-174.5	162.9	-37.4	-117.6	177.9	0	0	0	108.7
1001	R	24.7	Very low	26.2	Very low	203 Å²	203	144.9 Å²	144.9	77%	0.766	73%	0.726	S	S	*	*			trans	80.9	129.2	161.9	-87.6	170.6	-179.4	157	3.3	123.3
1002	H	27.8	Very low	26	Very low	142 Å²	142	145.4 Å²	145.4	66%	0.657	74%	0.737	S	S	*	*			trans	67.1	149.4	134.4	-63.1	-30.7	0	0	0	121.1
1003	N	26.8	Very low	25.8	Very low	123 Å²	123	143.4 Å²	143.4	66%	0.658	74%	0.736	S	S	*	*			cis	-155.9	161	-17.5	-115.6	0.3	0	0	0	112.9
1004	N	23.8	Very low	25.6	Very low	128 Å²	128	145.7 Å²	145.7	68%	0.684	74%	0.743	S	S	*	*			trans	-38.7	149.6	168.2	-42.6	-38	0	0	0	116.1
1005	N	26.5	Very low	25.6	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	75%	0.745	S	S	*	*				-167	140.7	98.9	-92.8	-25.6	0	0	0	114.6
1006	S	23.4	Very low	25.6	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	73%	0.728	S	S	*	*			trans	-109.6	-165.6	168.4	-49.7	0	0	0	0	107.9
1007	P	29.9	Very low	25.8	Very low	113 Å²	113	147 Å²	147	73%	0.734	74%	0.736	S	S	*	*			cis	-130.1	-179	-14.7	39.4	-22.8	0	0	0	113.6
1008	Q	22.6	Very low	25.8	Very low	193 Å²	193	148.4 Å²	148.4	90%	0.902	74%	0.744	S	S	*	*			trans	-103.9	148	154.9	-88.3	-170.3	-20.3	0	0	110.7
1009	Q	26.6	Very low	26.1	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	73%	0.726	S	S	*	*			trans	-84.9	159.1	-171.9	-71.3	175.9	-20.2	0	0	114.3
1010	H	23.6	Very low	26.3	Very low	175 Å²	175	143.3 Å²	143.3	81%	0.81	72%	0.717	S	S	*	*			trans	-27.8	134.6	175.3	-50.3	-86	0	0	0	117.9
1011	Y	25	Very low	27	Very low	210 Å²	210	140.9 Å²	140.9	82%	0.824	71%	0.705	S	S	*	*			trans	-136	140.9	146.9	-91.7	-78.9	0	0	0	111.4
1012	I	25	Very low	27.9	Very low	143 Å²	143	134.6 Å²	134.6	73%	0.733	69%	0.686	S	S	*	*			trans	-78.9	127	-171.8	-64.2	164.7	0	0	0	110.6	H1014	I1012-H1014 PolarHBondContact O-N 3.42Å
1013	T	27.6	Very low	29.4	Very low	119 Å²	119	129 Å²	129	73%	0.73	66%	0.66	S	S	*	*			trans	-80.4	74.5	-178.1	39.7	0	0	0	0	113	I1015	T1013-I1015 PolarHBondContact O-N 3.12Å; T1013-I1015 VanDerWaalsContact O-N 3.17Å
1014	H	26.4	Very low	30.4	Very low	150 Å²	150	124.3 Å²	124.3	69%	0.694	64%	0.636	S	S	*	*			trans	-65.9	111.8	164.1	-88.4	-62.4	0	0	0	110.9	I1012 P1016	I1012-H1014 PolarHBondContact O-N 3.42Å; H1014-P1016 WeakPolarHBondContact O-CD 3.26Å
1015	I	26.7	Very low	31.6	Very low	152 Å²	152	122.2 Å²	122.2	78%	0.779	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-61.1	123.5	174.7	-59.4	171	0	0	0	109.7	T1013 K1017	T1013-I1015 PolarHBondContact O-N 3.12Å; T1013-I1015 VanDerWaalsContact O-N 3.17Å; I1015-K1017 PolarHBondContact O-N 2.93Å
1016	P	27.2	Very low	33	Very low	62 Å²	62	116.2 Å²	116.2	40%	0.403	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-64.4	129.5	176.2	-21.5	33.6	0	0	0	111.3	H1014 Y1058	H1014-P1016 WeakPolarHBondContact O-CD 3.26Å; P1016-Y1058 HydrophobicContact CG-CD2 4.2Å; P1016-Y1058 HydrophobicContact CG-CE2 4.36Å
1017	K	29	Very low	34.8	Very low	189 Å²	189	112.9 Å²	112.9	82%	0.822	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-75.6	139.7	177.8	-68.5	-174.7	176.8	-176.5	0	111.1	I1015 S1019	I1015-K1017 PolarHBondContact O-N 2.93Å; K1017-S1019 PolarHBondContact O-N 3.31Å
1018	I	25.8	Very low	36.4	Very low	174 Å²	174	109.2 Å²	109.2	89%	0.892	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-53.1	134.1	162.7	-59	174.2	0	0	0	107.6
1019	S	29	Very low	39	Very low	46 Å²	46	100.5 Å²	100.5	32%	0.322	51%	0.509	S	S	.	.			trans	-132.8	120.6	-163.9	179	0	0	0	0	110.1	K1017 L1021	K1017-S1019 PolarHBondContact O-N 3.31Å; S1019-L1021 WeakPolarHBondContact O-CD2 3.21Å; S1019-L1021 VanDerWaalsContact O-CG 3.31Å; S1019-L1021 WeakPolarHBondContact O-CG 3.2Å; S1019-L1021 WeakPolarHBondContact OG-CD2 3.47Å
1020	Q	30.8	Very low	41.8	Very low	105 Å²	105	95.7 Å²	95.7	49%	0.491	49%	0.487	S	S	.	.			trans	-72.8	126.6	167.6	-70.9	163.1	-28.8	0	0	108.3	E160	E160-Q1020 PolarHBondContact OE1-NE2 3.33Å
1021	L	38.8	Very low	44.7	Very low	86 Å²	86	88 Å²	88	45%	0.45	45%	0.452	S	S	.	.			trans	-106.6	137.7	-157.7	-57.5	-173	0	0	0	114.4	S1019 W1023 R1125	S1019-L1021 WeakPolarHBondContact O-CD2 3.21Å; S1019-L1021 VanDerWaalsContact O-CG 3.31Å; S1019-L1021 WeakPolarHBondContact O-CG 3.2Å; S1019-L1021 WeakPolarHBondContact OG-CD2 3.47Å; L1021-W1023 HydrophobicContact CB-CB 4.46Å; L1021-W1023 HydrophobicContact CB-CG 4.42Å; L1021-W1023 HydrophobicContact CD2-CG 4.17Å; L1021-R1125 VanDerWaalsContact CD2-CZ 3.45Å; L1021-R1125 VanDerWaalsContact CD2-NH1 3.27Å
1022	N	42.8	Very low	47.5	Very low	71 Å²	71	82.5 Å²	82.5	38%	0.38	44%	0.442	S	S	.	.			trans	-121.5	94	140.5	-106.4	-18.7	0	0	0	105.5	F220 K1127	F220-N1022 WeakPolarHBondContact CE1-ND2 3.32Å; F220-N1022 VanDerWaalsContact CZ-ND2 3.28Å; F220-N1022 WeakPolarHBondContact CZ-ND2 3.44Å; F220-N1022 WeakPolarHBondContact CZ-OD1 3.39Å; N1022-K1127 WeakPolarHBondContact O-CD 3.15Å; N1022-K1127 WeakPolarHBondContact O-CG 3.45Å
1023	W	60.6	Low	50.5	Low	26 Å²	26	79.1 Å²	79.1	10%	0.098	43%	0.425	C	S	.	.			trans	-132.1	150.4	-179.6	-74	72.4	0	0	0	108	L1021 E1110 E1112 R1125 F1126 K1127	L1021-W1023 HydrophobicContact CB-CB 4.46Å; L1021-W1023 HydrophobicContact CB-CG 4.42Å; L1021-W1023 HydrophobicContact CD2-CG 4.17Å; W1023-E1110 HydrophobicContact CH2-CB 4.28Å; W1023-E1110 HydrophobicContact CH2-CG 3.83Å; W1023-E1110 HydrophobicContact CZ3-CB 4.43Å; W1023-E1110 HydrophobicContact CZ3-CG 4.4Å; W1023-E1112 HydrophobicContact CH2-CB 3.35Å; W1023-E1112 HydrophobicContact CH2-CG 4.35Å; W1023-E1112 HydrophobicContact CZ2-CB 4.09Å; W1023-E1112 WeakPolarHBondContact CZ2-OE2 3.23Å; W1023-E1112 HydrophobicContact CZ3-CB 3.65Å; W1023-R1125 HydrophobicContact CD2-CG 4.01Å; W1023-R1125 HydrophobicContact CE3-CB 4Å; W1023-R1125 HydrophobicContact CE3-CG 3.5Å; W1023-R1125 HydrophobicContact CZ3-CG 3.96Å; W1023-R1125 WeakPolarHBondContact CZ3-O 3.41Å; W1023-F1126 CarbonylContact C-O 3.6Å; W1023-F1126 WeakPolarHBondContact CB-O 3.41Å; W1023-F1126 VanDerWaalsContact CE3-C 3.46Å; W1023-F1126 VanDerWaalsContact CE3-O 3.23Å; W1023-K1127 HydrophobicContact CB-CB 4.37Å; W1023-K1127 HydrophobicContact CD2-CB 3.7Å; W1023-K1127 HydrophobicContact CD2-CD 3.99Å; W1023-K1127 HydrophobicContact CD2-CG 4.42Å; W1023-K1127 HydrophobicContact CE3-CB 3.49Å; W1023-K1127 VanDerWaalsContact CE3-CB 3.49Å; W1023-K1127 HydrophobicContact CE3-CD 4.42Å; W1023-K1127 HydrophobicContact CG-CB 4.12Å; W1023-K1127 HydrophobicContact CG-CD 4.34Å; W1023-K1127 HydrophobicContact CH2-CB 4.43Å; W1023-K1127 HydrophobicContact CH2-CD 4.38Å; W1023-K1127 HydrophobicContact CZ2-CD 4.04Å; W1023-K1127 HydrophobicContact CZ3-CB 3.86Å
1024	S	48.2	Very low	53.5	Low	24 Å²	24	75.2 Å²	75.2	17%	0.168	40%	0.4	C	S	.	.	S	Bend	trans	-52.3	149.5	167.9	-65	0	0	0	0	110	G1026 F1126 E1140	S1024-G1026 PolarHBondContact O-N 3.04Å; S1024-F1126 WeakPolarHBondContact CA-O 3.27Å; S1024-F1126 VanDerWaalsContact CB-O 3.31Å; S1024-F1126 WeakPolarHBondContact CB-O 3.26Å; S1024-F1126 PolarHBondContact N-O 3.47Å; S1024-E1140 WeakPolarHBondContact CB-OE1 3.24Å; S1024-E1140 WeakPolarHBondContact CB-OE2 3.32Å; S1024-E1140 PolarHBondContact OG-OE2 3.08Å
1025	Y	48.1	Very low	56.4	Low	83 Å²	83	76.5 Å²	76.5	33%	0.325	40%	0.403	S	S	.	.	S	Bend	trans	-64.6	106.3	-154.8	-113.7	-128.8	0	0	0	113.2	F233 G235 P237 L245 L279	F233-Y1025 HydrophobicContact CD1-CE2 4.21Å; F233-Y1025 HydrophobicContact CE1-CE1 4.43Å; F233-Y1025 AromaticContact CE1-CE2 3.53Å; F233-Y1025 HydrophobicContact CE1-CE2 3.53Å; F233-Y1025 AromaticContact CE1-CZ 3.43Å; F233-Y1025 VanDerWaalsContact CE1-CZ 3.43Å; F233-Y1025 WeakPolarHBondContact CE1-OH 3.41Å; F233-Y1025 HydrophobicContact CZ-CE1 4.16Å; F233-Y1025 HydrophobicContact CZ-CE2 4.08Å; F233-Y1025 AromaticContact CZ-CZ 3.5Å; F233-Y1025 WeakPolarHBondContact CZ-OH 3.49Å; G235-Y1025 PolarHBondContact O-OH 2.87Å; P237-Y1025 WeakPolarHBondContact CA-OH 3.25Å; P237-Y1025 HydrophobicContact CB-CE1 3.8Å; P237-Y1025 WeakPolarHBondContact CB-OH 3.24Å; P237-Y1025 HydrophobicContact CG-CE1 3.81Å; P237-Y1025 HydrophobicContact CG-CE2 4.13Å; P237-Y1025 WeakPolarHBondContact CG-OH 3.26Å; L245-Y1025 HydrophobicContact CD2-CE1 4.09Å; L279-Y1025 HydrophobicContact CD1-CD1 3.7Å; L279-Y1025 HydrophobicContact CD1-CG 4.01Å; L279-Y1025 WeakPolarHBondContact CD1-O 3.44Å; L279-Y1025 HydrophobicContact CD2-CD1 4.02Å; L279-Y1025 HydrophobicContact CD2-CE1 4.26Å; L279-Y1025 HydrophobicContact CG-CD1 4.44Å
1026	G	55.2	Low	59.4	Low	35 Å²	35	71.3 Å²	71.3	36%	0.361	38%	0.377	S	S	.	.	S	Bend	trans	93.3	-175.9	165	0	0	0	0	0	116	S1024	S1024-G1026 PolarHBondContact O-N 3.04Å
1027	V	61	Low	62.4	Low	41 Å²	41	68.4 Å²	68.4	25%	0.248	36%	0.358	C	S	.	.			trans	-94.2	113.2	166.1	170.2	0	0	0	0	107.6	V1029 Q1030 V1114 L1116 I1124	V1027-V1029 WeakPolarHBondContact CG1-O 3.23Å; V1027-Q1030 HydrophobicContact CG1-CG 3.71Å; V1027-V1114 HydrophobicContact CG2-CG2 4.31Å; V1027-L1116 HydrophobicContact CB-CD1 4.28Å; V1027-L1116 HydrophobicContact CG1-CD1 4.04Å; V1027-L1116 HydrophobicContact CG2-CD1 4.24Å; V1027-L1116 HydrophobicContact CG2-CD2 4.11Å; V1027-L1116 HydrophobicContact CG2-CG 4.48Å; V1027-I1124 CarbonylContact C-O 3.59Å; V1027-I1124 WeakPolarHBondContact CA-O 3.32Å
1028	A	63.5	Low	65.4	Low	36 Å²	36	61.4 Å²	61.4	30%	0.298	33%	0.329	S	S	.	.			trans	-74.1	-37.7	-169.1	0	0	0	0	0	113	I1124 F1126 T1144	A1028-I1124 PolarHBondContact N-O 3.2Å; A1028-F1126 HydrophobicContact CB-CD2 4.09Å; A1028-F1126 HydrophobicContact CB-CE2 3.77Å; A1028-T1144 HydrophobicContact CB-CG2 4.08Å; A1028-T1144 WeakPolarHBondContact CB-OG1 3.41Å; A1028-T1144 WeakPolarHBondContact O-CG2 3.28Å
1029	V	78.4	Confident	68.5	Low	9 Å²	9	56 Å²	56	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.9	178.3	-169.8	0	0	0	0	109.5	V1027 G1123 I1124 T1144 L1147 V1148 M1151	V1027-V1029 WeakPolarHBondContact CG1-O 3.23Å; V1029-G1123 CarbonylContact O-C 3.56Å; V1029-G1123 WeakPolarHBondContact O-CA 3.44Å; V1029-I1124 PolarHBondContact O-N 2.84Å; V1029-T1144 HydrophobicContact CG2-CG2 3.76Å; V1029-L1147 HydrophobicContact CG2-CB 3.82Å; V1029-L1147 HydrophobicContact CG2-CD1 3.96Å; V1029-V1148 HydrophobicContact CB-CG2 4.43Å; V1029-V1148 HydrophobicContact CG1-CG2 3.78Å; V1029-V1148 HydrophobicContact CG2-CG2 3.85Å; V1029-M1151 HydrophobicContact CB-CE 4.44Å; V1029-M1151 HydrophobicContact CG1-CE 3.5Å; V1029-M1151 VanDerWaalsContact CG1-CE 3.5Å; V1029-M1151 HydrophobicContact CG1-SD 4.26Å
1030	Q	84.3	Confident	71.6	Confident	73 Å²	73	53.9 Å²	53.9	34%	0.341	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.2	178.9	-61.4	-174	32.8	0	0	112.1	V1027 L1116 T1121 Y1122	V1027-Q1030 HydrophobicContact CG1-CG 3.71Å; Q1030-L1116 HydrophobicContact CG-CD1 3.82Å; Q1030-T1121 PolarHBondContact OE1-OG1 2.8Å; Q1030-Y1122 CarbonylContact C-O 3.5Å; Q1030-Y1122 WeakPolarHBondContact CA-O 3.46Å
1031	N	85.1	Confident	74.5	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.08	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	136.2	172.5	-165.3	-44.6	0	0	0	109.8	N1033 L1037 Y1122 M1151	N1031-N1033 PolarHBondContact O-N 3.47Å; N1031-N1033 PolarHBondContact OD1-N 3.41Å; N1031-L1037 HydrophobicContact CB-CB 4.26Å; N1031-L1037 HydrophobicContact CB-CD1 4.24Å; N1031-Y1122 PolarHBondContact N-O 2.81Å; N1031-Y1122 PolarHBondContact O-N 3.13Å; N1031-M1151 HydrophobicContact CB-SD 3.81Å; N1031-M1151 PolarHBondContact ND2-SD 3.05Å
1032	P	83.7	Confident	77.1	Confident	94 Å²	94	47.4 Å²	47.4	61%	0.61	26%	0.261	S	S	*	.	S	Bend	trans	-65.7	-24	172.7	26.9	-35.6	0	0	0	113.6	Y1122	P1032-Y1122 WeakPolarHBondContact O-CD2 3.42Å; P1032-Y1122 WeakPolarHBondContact O-CE2 3.08Å
1033	N	89	Confident	79.4	Confident	71 Å²	71	49.3 Å²	49.3	38%	0.38	27%	0.268	S	S	.	.			trans	-95.3	105.1	179	-172.1	-27	0	0	0	111.5	N1031 K1035 I1036 L1037	N1031-N1033 PolarHBondContact O-N 3.47Å; N1031-N1033 PolarHBondContact OD1-N 3.41Å; N1033-K1035 VanDerWaalsContact C-N 3.33Å; N1033-K1035 PolarHBondContact O-N 3.45Å; N1033-K1035 WeakPolarHBondContact OD1-CB 3.32Å; N1033-K1035 PolarHBondContact OD1-N 2.93Å; N1033-I1036 HydrophobicContact CB-CB 4.2Å; N1033-I1036 HydrophobicContact CB-CD1 4Å; N1033-I1036 HydrophobicContact CB-CG1 4.18Å; N1033-I1036 WeakPolarHBondContact ND2-CD1 3.37Å; N1033-I1036 PolarHBondContact O-N 3.49Å; N1033-I1036 PolarHBondContact OD1-N 2.87Å; N1033-L1037 PolarHBondContact O-N 3.42Å; N1033-L1037 VanDerWaalsContact O-N 3.07Å
1034	L	90.6	Very high	80.9	Confident	37 Å²	37	48.2 Å²	48.2	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-36.8	178	-179.2	57.2	0	0	0	113.6	L1037 L1038 Y1058 V1113 Y1122	L1034-L1037 PolarHBondContact O-N 3.17Å; L1034-L1038 HydrophobicContact CD1-CD1 3.86Å; L1034-L1038 HydrophobicContact CD1-CG 4.06Å; L1034-L1038 HydrophobicContact CG-CD1 3.95Å; L1034-L1038 WeakPolarHBondContact O-CB 3.46Å; L1034-L1038 VanDerWaalsContact O-CG 3.3Å; L1034-L1038 WeakPolarHBondContact O-CG 3.39Å; L1034-L1038 PolarHBondContact O-N 3.48Å; L1034-Y1058 HydrophobicContact CD1-CD1 4.42Å; L1034-Y1058 HydrophobicContact CD1-CE1 4.26Å; L1034-Y1058 HydrophobicContact CD2-CE1 4.01Å; L1034-Y1058 HydrophobicContact CG-CE1 4.48Å; L1034-V1113 HydrophobicContact CD1-CG1 3.68Å; L1034-Y1122 HydrophobicContact CB-CD1 4.3Å; L1034-Y1122 HydrophobicContact CB-CD2 3.73Å; L1034-Y1122 HydrophobicContact CB-CE1 4.3Å; L1034-Y1122 HydrophobicContact CB-CE2 3.75Å; L1034-Y1122 HydrophobicContact CB-CG 4.02Å; L1034-Y1122 HydrophobicContact CD1-CD1 3.82Å; L1034-Y1122 HydrophobicContact CD1-CE1 4.32Å; L1034-Y1122 HydrophobicContact CD1-CG 3.92Å; L1034-Y1122 HydrophobicContact CD2-CD1 4.26Å; L1034-Y1122 HydrophobicContact CD2-CE1 3.9Å; L1034-Y1122 HydrophobicContact CG-CD1 4.35Å; L1034-Y1122 HydrophobicContact CG-CE1 4.41Å; L1034-Y1122 HydrophobicContact CG-CG 4.44Å
1035	K	87.7	Confident	83.1	Confident	177 Å²	177	47.1 Å²	47.1	77%	0.77	26%	0.256	S	S	*	.	H	α-helix	trans	-65.4	-47.5	178.8	-83	-169.9	172.6	-173.9	0	111	N1033 L1037 L1038 S1039	N1033-K1035 VanDerWaalsContact C-N 3.33Å; N1033-K1035 PolarHBondContact O-N 3.45Å; N1033-K1035 WeakPolarHBondContact OD1-CB 3.32Å; N1033-K1035 PolarHBondContact OD1-N 2.93Å; K1035-L1037 VanDerWaalsContact C-N 3.33Å; K1035-L1037 PolarHBondContact O-N 2.96Å; K1035-L1038 PolarHBondContact O-N 3.41Å; K1035-S1039 PolarHBondContact O-N 3.46Å; K1035-S1039 PolarHBondContact O-OG 2.84Å
1036	I	88.1	Confident	85	Confident	44 Å²	44	48.5 Å²	48.5	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43	178	-65.7	175.3	0	0	0	110.5	N1033 L1038 S1039 T1040 M1151 I1154	N1033-I1036 HydrophobicContact CB-CB 4.2Å; N1033-I1036 HydrophobicContact CB-CD1 4Å; N1033-I1036 HydrophobicContact CB-CG1 4.18Å; N1033-I1036 WeakPolarHBondContact ND2-CD1 3.37Å; N1033-I1036 PolarHBondContact O-N 3.49Å; N1033-I1036 PolarHBondContact OD1-N 2.87Å; I1036-L1038 VanDerWaalsContact C-N 3.34Å; I1036-L1038 PolarHBondContact O-N 3.35Å; I1036-S1039 PolarHBondContact O-OG 3.49Å; I1036-T1040 VanDerWaalsContact O-CB 3.26Å; I1036-T1040 WeakPolarHBondContact O-CB 3.48Å; I1036-T1040 PolarHBondContact O-N 2.87Å; I1036-T1040 PolarHBondContact O-OG1 3.16Å; I1036-M1151 HydrophobicContact CG2-CG 3.88Å; I1036-I1154 HydrophobicContact CD1-CG2 4.22Å; I1036-I1154 HydrophobicContact CG1-CG2 4.42Å; I1036-I1154 HydrophobicContact CG2-CG2 4.05Å
1037	L	91.2	Very high	86.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-43.1	178.5	-172.9	64.7	0	0	0	112.1	N1031 N1033 L1034 K1035 L1041 V1113 I1124 M1151	N1031-L1037 HydrophobicContact CB-CB 4.26Å; N1031-L1037 HydrophobicContact CB-CD1 4.24Å; N1033-L1037 PolarHBondContact O-N 3.42Å; N1033-L1037 VanDerWaalsContact O-N 3.07Å; L1034-L1037 PolarHBondContact O-N 3.17Å; K1035-L1037 VanDerWaalsContact C-N 3.33Å; K1035-L1037 PolarHBondContact O-N 2.96Å; L1037-L1041 WeakPolarHBondContact O-CB 3.41Å; L1037-L1041 PolarHBondContact O-N 3.25Å; L1037-V1113 HydrophobicContact CD2-CG1 3.72Å; L1037-V1113 HydrophobicContact CD2-CG2 4.38Å; L1037-I1124 HydrophobicContact CD1-CD1 3.63Å; L1037-I1124 HydrophobicContact CD1-CG1 4.03Å; L1037-I1124 HydrophobicContact CD2-CG1 4.46Å; L1037-I1124 HydrophobicContact CG-CD1 4.19Å; L1037-I1124 HydrophobicContact CG-CG1 4.25Å; L1037-M1151 HydrophobicContact CD1-CE 3.72Å; L1037-M1151 HydrophobicContact CD1-SD 3.8Å
1038	L	92.5	Very high	88.1	Confident	43 Å²	43	53.1 Å²	53.1	23%	0.225	27%	0.273	C	S	.	.	H	α-helix	trans	-70.3	-46.1	179.2	-73.5	171.1	0	0	0	113	L1034 K1035 I1036 T1040 L1041 D1042 P1057 Y1058 V1113	L1034-L1038 HydrophobicContact CD1-CD1 3.86Å; L1034-L1038 HydrophobicContact CD1-CG 4.06Å; L1034-L1038 HydrophobicContact CG-CD1 3.95Å; L1034-L1038 WeakPolarHBondContact O-CB 3.46Å; L1034-L1038 VanDerWaalsContact O-CG 3.3Å; L1034-L1038 WeakPolarHBondContact O-CG 3.39Å; L1034-L1038 PolarHBondContact O-N 3.48Å; K1035-L1038 PolarHBondContact O-N 3.41Å; I1036-L1038 VanDerWaalsContact C-N 3.34Å; I1036-L1038 PolarHBondContact O-N 3.35Å; L1038-T1040 VanDerWaalsContact C-N 3.31Å; L1038-T1040 PolarHBondContact O-N 3.2Å; L1038-L1041 PolarHBondContact O-N 3.17Å; L1038-D1042 PolarHBondContact O-N 3.36Å; L1038-P1057 WeakPolarHBondContact CD2-O 2.98Å; L1038-Y1058 HydrophobicContact CD1-CD1 4.12Å; L1038-Y1058 HydrophobicContact CD1-CE1 3.98Å; L1038-Y1058 HydrophobicContact CD2-CD1 4.29Å; L1038-V1113 HydrophobicContact CD2-CB 4.33Å; L1038-V1113 HydrophobicContact CD2-CG2 3.89Å
1039	S	90.7	Very high	89.3	Confident	61 Å²	61	61.4 Å²	61.4	43%	0.427	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-36.9	178.1	63	0	0	0	0	112	K1035 I1036 Q1043	K1035-S1039 PolarHBondContact O-N 3.46Å; K1035-S1039 PolarHBondContact O-OG 2.84Å; I1036-S1039 PolarHBondContact O-OG 3.49Å; S1039-Q1043 WeakPolarHBondContact O-CB 3.44Å; S1039-Q1043 WeakPolarHBondContact O-CG 3.47Å; S1039-Q1043 PolarHBondContact O-N 3.12Å
1040	T	92.5	Very high	89.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-40	176.3	-51	0	0	0	0	111.4	I1036 L1038 V1044 L1147 T1150 M1151	I1036-T1040 VanDerWaalsContact O-CB 3.26Å; I1036-T1040 WeakPolarHBondContact O-CB 3.48Å; I1036-T1040 PolarHBondContact O-N 2.87Å; I1036-T1040 PolarHBondContact O-OG1 3.16Å; L1038-T1040 VanDerWaalsContact C-N 3.31Å; L1038-T1040 PolarHBondContact O-N 3.2Å; T1040-V1044 HydrophobicContact CG2-CG2 4.18Å; T1040-V1044 WeakPolarHBondContact O-CB 3.33Å; T1040-V1044 VanDerWaalsContact O-CG2 3.28Å; T1040-V1044 WeakPolarHBondContact O-CG2 3.39Å; T1040-V1044 PolarHBondContact O-N 3Å; T1040-L1147 HydrophobicContact CG2-CD2 4.16Å; T1040-T1150 HydrophobicContact CG2-CG2 3.77Å; T1040-M1151 HydrophobicContact CG2-CE 3.98Å; T1040-M1151 HydrophobicContact CG2-CG 4.06Å
1041	L	93.5	Very high	90.3	Very high	7 Å²	7	63 Å²	63	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-49.6	175.3	177.9	61.7	0	0	0	111.6	L1037 L1038 Q1043 V1044 V1045 I1060 M1111 V1113 I1124 L1147	L1037-L1041 WeakPolarHBondContact O-CB 3.41Å; L1037-L1041 PolarHBondContact O-N 3.25Å; L1038-L1041 PolarHBondContact O-N 3.17Å; L1041-Q1043 PolarHBondContact O-N 3.32Å; L1041-V1044 PolarHBondContact O-N 3.2Å; L1041-V1045 HydrophobicContact CD1-CG2 3.84Å; L1041-V1045 HydrophobicContact CG-CG2 4.44Å; L1041-V1045 WeakPolarHBondContact O-CB 3.4Å; L1041-V1045 VanDerWaalsContact O-CG2 3.24Å; L1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; L1041-V1045 PolarHBondContact O-N 2.65Å; L1041-I1060 HydrophobicContact CD2-CD1 3.94Å; L1041-I1060 HydrophobicContact CG-CD1 4.11Å; L1041-M1111 HydrophobicContact CD1-CE 4.07Å; L1041-M1111 HydrophobicContact CD1-SD 4.17Å; L1041-V1113 HydrophobicContact CD2-CG2 3.99Å; L1041-I1124 HydrophobicContact CB-CD1 4.22Å; L1041-I1124 HydrophobicContact CD1-CD1 4.11Å; L1041-I1124 HydrophobicContact CD2-CD1 4.41Å; L1041-I1124 HydrophobicContact CD2-CG1 4.37Å; L1041-I1124 HydrophobicContact CG-CD1 4.48Å; L1041-L1147 HydrophobicContact CB-CD2 4.23Å; L1041-L1147 HydrophobicContact CD1-CD2 4.21Å
1042	D	91.7	Very high	90.7	Very high	48 Å²	48	65 Å²	65	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-42.7	-179.8	-171.1	47.4	0	0	0	111.9	L1038 K1046	L1038-D1042 PolarHBondContact O-N 3.36Å; D1042-K1046 WeakPolarHBondContact O-CB 3.5Å; D1042-K1046 WeakPolarHBondContact O-CD 3.43Å; D1042-K1046 WeakPolarHBondContact O-CG 3.33Å; D1042-K1046 PolarHBondContact O-N 3Å; D1042-K1046 WeakPolarHBondContact OD1-CE 3.4Å; D1042-K1046 IonicContact OD1-NZ 2.77Å; D1042-K1046 PolarHBondContact OD1-NZ 3.19Å; D1042-K1046 IonicContact OD2-NZ 2.68Å; D1042-K1046 PolarHBondContact OD2-NZ 3.47Å
1043	Q	91	Very high	91	Very high	112 Å²	112	65 Å²	65	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-49.4	172.6	-81.9	-173.6	-27.9	0	0	113.1	S1039 L1041 K1046 K1047	S1039-Q1043 WeakPolarHBondContact O-CB 3.44Å; S1039-Q1043 WeakPolarHBondContact O-CG 3.47Å; S1039-Q1043 PolarHBondContact O-N 3.12Å; L1041-Q1043 PolarHBondContact O-N 3.32Å; Q1043-K1046 PolarHBondContact O-N 2.98Å; Q1043-K1047 VanDerWaalsContact O-CB 3.23Å; Q1043-K1047 WeakPolarHBondContact O-CB 3.47Å; Q1043-K1047 PolarHBondContact O-N 3.18Å
1044	V	93.9	Very high	91.1	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-68.6	-38	-174.2	167.9	0	0	0	0	111.8	T1040 L1041 S1048 L1143 Q1146 L1147	T1040-V1044 HydrophobicContact CG2-CG2 4.18Å; T1040-V1044 WeakPolarHBondContact O-CB 3.33Å; T1040-V1044 VanDerWaalsContact O-CG2 3.28Å; T1040-V1044 WeakPolarHBondContact O-CG2 3.39Å; T1040-V1044 PolarHBondContact O-N 3Å; L1041-V1044 PolarHBondContact O-N 3.2Å; V1044-S1048 VanDerWaalsContact O-CB 3.25Å; V1044-S1048 WeakPolarHBondContact O-CB 3.35Å; V1044-S1048 PolarHBondContact O-N 3.4Å; V1044-S1048 PolarHBondContact O-OG 3.13Å; V1044-L1143 HydrophobicContact CG1-CD2 3.78Å; V1044-Q1146 HydrophobicContact CG1-CB 3.59Å; V1044-Q1146 HydrophobicContact CG2-CB 4.23Å; V1044-L1147 HydrophobicContact CB-CD2 4.25Å; V1044-L1147 HydrophobicContact CB-CG 4.47Å; V1044-L1147 HydrophobicContact CG1-CG 4.26Å; V1044-L1147 HydrophobicContact CG2-CD2 4.33Å
1045	V	92.9	Very high	90.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-44.6	176.8	175.1	0	0	0	0	110.8	L1041 S1048 I1050 H1052 M1111	L1041-V1045 HydrophobicContact CD1-CG2 3.84Å; L1041-V1045 HydrophobicContact CG-CG2 4.44Å; L1041-V1045 WeakPolarHBondContact O-CB 3.4Å; L1041-V1045 VanDerWaalsContact O-CG2 3.24Å; L1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; L1041-V1045 PolarHBondContact O-N 2.65Å; V1045-S1048 PolarHBondContact O-N 3.03Å; V1045-I1050 HydrophobicContact CG1-CB 4.2Å; V1045-I1050 HydrophobicContact CG1-CG2 4.31Å; V1045-H1052 HydrophobicContact CG1-CB 3.77Å; V1045-M1111 HydrophobicContact CG2-CE 3.6Å
1046	K	89.1	Confident	90.8	Very high	112 Å²	112	62.2 Å²	62.2	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.3	-74.3	166.8	179.2	164.4	0	112.2	D1042 Q1043 S1048 Y1049 H1052	D1042-K1046 WeakPolarHBondContact O-CB 3.5Å; D1042-K1046 WeakPolarHBondContact O-CD 3.43Å; D1042-K1046 WeakPolarHBondContact O-CG 3.33Å; D1042-K1046 PolarHBondContact O-N 3Å; D1042-K1046 WeakPolarHBondContact OD1-CE 3.4Å; D1042-K1046 IonicContact OD1-NZ 2.77Å; D1042-K1046 PolarHBondContact OD1-NZ 3.19Å; D1042-K1046 IonicContact OD2-NZ 2.68Å; D1042-K1046 PolarHBondContact OD2-NZ 3.47Å; Q1043-K1046 PolarHBondContact O-N 2.98Å; K1046-S1048 PolarHBondContact O-N 2.71Å; K1046-Y1049 PolarHBondContact O-N 3.04Å; K1046-H1052 WeakPolarHBondContact CE-NE2 3.21Å
1047	K	90.9	Very high	90.6	Very high	152 Å²	152	63.2 Å²	63.2	66%	0.661	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-25.9	177.7	-172.6	177	179.3	-177.6	0	113.4	Q1043 Y1049	Q1043-K1047 VanDerWaalsContact O-CB 3.23Å; Q1043-K1047 WeakPolarHBondContact O-CB 3.47Å; Q1043-K1047 PolarHBondContact O-N 3.18Å; K1047-Y1049 VanDerWaalsContact C-N 3.31Å; K1047-Y1049 WeakPolarHBondContact O-CD2 3.42Å; K1047-Y1049 PolarHBondContact O-N 3.38Å
1048	S	89.9	Confident	90.7	Very high	22 Å²	22	65.4 Å²	65.4	15%	0.154	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.2	179.4	-62.2	0	0	0	0	114.3	V1044 V1045 K1046 I1050 Q1146	V1044-S1048 VanDerWaalsContact O-CB 3.25Å; V1044-S1048 WeakPolarHBondContact O-CB 3.35Å; V1044-S1048 PolarHBondContact O-N 3.4Å; V1044-S1048 PolarHBondContact O-OG 3.13Å; V1045-S1048 PolarHBondContact O-N 3.03Å; K1046-S1048 PolarHBondContact O-N 2.71Å; S1048-I1050 VanDerWaalsContact C-N 3.34Å; S1048-I1050 VanDerWaalsContact CB-CD1 3.49Å; S1048-I1050 PolarHBondContact O-N 2.72Å; S1048-Q1146 PolarHBondContact OG-NE2 2.77Å; S1048-Q1146 PolarHBondContact OG-OE1 3.48Å
1049	Y	88.3	Confident	90.7	Very high	209 Å²	209	66.3 Å²	66.3	82%	0.82	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	48.3	-177.2	-55.9	-86.5	0	0	0	113	K1046 K1047	K1046-Y1049 PolarHBondContact O-N 3.04Å; K1047-Y1049 VanDerWaalsContact C-N 3.31Å; K1047-Y1049 WeakPolarHBondContact O-CD2 3.42Å; K1047-Y1049 PolarHBondContact O-N 3.38Å
1050	I	92.3	Very high	90.9	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	31%	0.308	C	S	.	.			trans	-105	127.3	178.2	-66.6	160.1	0	0	0	108.9	V1045 S1048 H1052 C1062 W1109 L1143	V1045-I1050 HydrophobicContact CG1-CB 4.2Å; V1045-I1050 HydrophobicContact CG1-CG2 4.31Å; S1048-I1050 VanDerWaalsContact C-N 3.34Å; S1048-I1050 VanDerWaalsContact CB-CD1 3.49Å; S1048-I1050 PolarHBondContact O-N 2.72Å; I1050-H1052 PolarHBondContact O-N 3.43Å; I1050-H1052 PolarHBondContact O-ND1 2.74Å; I1050-C1062 HydrophobicContact CG2-CB 3.62Å; I1050-W1109 HydrophobicContact CD1-CH2 4.35Å; I1050-W1109 HydrophobicContact CD1-CZ2 4.02Å; I1050-W1109 HydrophobicContact CG1-CH2 4.3Å; I1050-W1109 HydrophobicContact CG1-CZ2 4.39Å; I1050-W1109 HydrophobicContact CG2-CH2 3.82Å; I1050-W1109 HydrophobicContact CG2-CZ2 3.78Å; I1050-L1143 HydrophobicContact CD1-CD1 3.95Å; I1050-L1143 HydrophobicContact CD1-CD2 3.76Å; I1050-L1143 HydrophobicContact CD1-CG 4.29Å
1051	D	91.2	Very high	90.9	Very high	106 Å²	106	66 Å²	66	57%	0.567	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.8	170.6	-62	-46.2	0	0	0	108.7	C1062 S1063	D1051-C1062 CarbonylContact O-C 3.46Å; D1051-C1062 VanDerWaalsContact O-CA 3.24Å; D1051-C1062 WeakPolarHBondContact O-CA 3.35Å; D1051-S1063 WeakPolarHBondContact CB-O 3.22Å; D1051-S1063 PolarHBondContact N-O 2.93Å; D1051-S1063 VanDerWaalsContact N-O 3.13Å; D1051-S1063 PolarHBondContact O-N 3.44Å
1052	H	94	Very high	91	Very high	57 Å²	57	65.8 Å²	65.8	26%	0.264	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	148	-175	61	-76.7	0	0	0	113.3	V1045 K1046 I1050 I1060 I1061	V1045-H1052 HydrophobicContact CG1-CB 3.77Å; K1046-H1052 WeakPolarHBondContact CE-NE2 3.21Å; I1050-H1052 PolarHBondContact O-N 3.43Å; I1050-H1052 PolarHBondContact O-ND1 2.74Å; H1052-I1060 HydrophobicContact CB-CG2 3.81Å; H1052-I1061 CarbonylContact C-O 3.6Å; H1052-I1061 VanDerWaalsContact CA-O 3.26Å; H1052-I1061 WeakPolarHBondContact CA-O 3.29Å
1053	V	90.8	Very high	91.1	Very high	95 Å²	95	64.6 Å²	64.6	58%	0.576	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.2	177.2	-179	0	0	0	0	108.9	L1055 I1060 I1061	V1053-L1055 PolarHBondContact O-N 2.72Å; V1053-I1060 WeakPolarHBondContact O-CA 3.44Å; V1053-I1061 PolarHBondContact N-O 3.45Å; V1053-I1061 PolarHBondContact O-N 2.71Å
1054	H	89.8	Confident	91	Very high	87 Å²	87	61.8 Å²	61.8	40%	0.403	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123	170	-84.2	-97.7	0	0	0	110.7	S1056	H1054-S1056 PolarHBondContact ND1-O 3.25Å
1055	L	84.2	Confident	90.7	Very high	98 Å²	98	70.7 Å²	70.7	51%	0.513	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-25.1	163.5	-63	-176.1	0	0	0	111.5	V1053 R1059 I1061	V1053-L1055 PolarHBondContact O-N 2.72Å; L1055-R1059 HydrophobicContact CB-CB 4.46Å; L1055-R1059 HydrophobicContact CB-CG 4.42Å; L1055-R1059 HydrophobicContact CD1-CG 4.49Å; L1055-R1059 PolarHBondContact N-O 2.95Å; L1055-I1061 HydrophobicContact CD1-CD1 3.78Å; L1055-I1061 HydrophobicContact CD1-CG1 3.87Å; L1055-I1061 HydrophobicContact CD2-CD1 4.34Å; L1055-I1061 HydrophobicContact CG-CD1 4.27Å; L1055-I1061 HydrophobicContact CG-CG1 4.2Å
1056	S	88.6	Confident	90.1	Very high	41 Å²	41	71.8 Å²	71.8	29%	0.287	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	173.9	172.5	82.4	0	0	0	0	109.9	H1054 Y1058 R1059	H1054-S1056 PolarHBondContact ND1-O 3.25Å; S1056-Y1058 PolarHBondContact O-N 2.96Å; S1056-Y1058 PolarHBondContact OG-N 2.81Å; S1056-Y1058 VanDerWaalsContact OG-N 3.12Å; S1056-R1059 PolarHBondContact N-O 3.09Å; S1056-R1059 VanDerWaalsContact N-O 3.16Å; S1056-R1059 PolarHBondContact O-N 3.1Å; S1056-R1059 WeakPolarHBondContact OG-CB 3.21Å; S1056-R1059 PolarHBondContact OG-N 3.07Å
1057	P	84	Confident	89.1	Confident	65 Å²	65	72.2 Å²	72.2	42%	0.422	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23	171.4	-26.7	36.4	0	0	0	113.9	L1038	L1038-P1057 WeakPolarHBondContact CD2-O 2.98Å
1058	Y	93	Very high	87.1	Confident	47 Å²	47	67 Å²	67	18%	0.184	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.8	-176.9	-49.9	-60.8	0	0	0	113.7	P1016 L1034 L1038 S1056 E1112 V1113	P1016-Y1058 HydrophobicContact CG-CD2 4.2Å; P1016-Y1058 HydrophobicContact CG-CE2 4.36Å; L1034-Y1058 HydrophobicContact CD1-CD1 4.42Å; L1034-Y1058 HydrophobicContact CD1-CE1 4.26Å; L1034-Y1058 HydrophobicContact CD2-CE1 4.01Å; L1034-Y1058 HydrophobicContact CG-CE1 4.48Å; L1038-Y1058 HydrophobicContact CD1-CD1 4.12Å; L1038-Y1058 HydrophobicContact CD1-CE1 3.98Å; L1038-Y1058 HydrophobicContact CD2-CD1 4.29Å; S1056-Y1058 PolarHBondContact O-N 2.96Å; S1056-Y1058 PolarHBondContact OG-N 2.81Å; S1056-Y1058 VanDerWaalsContact OG-N 3.12Å; Y1058-E1112 CarbonylContact O-C 3.57Å; Y1058-E1112 VanDerWaalsContact O-CA 3.32Å; Y1058-E1112 WeakPolarHBondContact O-CA 3.47Å; Y1058-V1113 PolarHBondContact O-N 3.11Å
1059	R	92.3	Very high	84.8	Confident	61 Å²	61	72 Å²	72	23%	0.23	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	124.8	-166.3	-166.4	178.5	-178.4	131.4	-5.3	112.5	L1055 S1056 E1110 M1111 E1112	L1055-R1059 HydrophobicContact CB-CB 4.46Å; L1055-R1059 HydrophobicContact CB-CG 4.42Å; L1055-R1059 HydrophobicContact CD1-CG 4.49Å; L1055-R1059 PolarHBondContact N-O 2.95Å; S1056-R1059 PolarHBondContact N-O 3.09Å; S1056-R1059 VanDerWaalsContact N-O 3.16Å; S1056-R1059 PolarHBondContact O-N 3.1Å; S1056-R1059 WeakPolarHBondContact OG-CB 3.21Å; S1056-R1059 PolarHBondContact OG-N 3.07Å; R1059-E1110 IonicContact CZ-OE1 2.72Å; R1059-E1110 IonicContact CZ-OE2 3.81Å; R1059-E1110 IonicContact NE-OE1 2.84Å; R1059-E1110 PolarHBondContact NE-OE1 3.09Å; R1059-E1110 IonicContact NH2-OE1 3.06Å; R1059-E1110 PolarHBondContact NH2-OE1 2.86Å; R1059-E1110 IonicContact NH2-OE2 3.74Å; R1059-E1110 PolarHBondContact NH2-OE2 3.07Å; R1059-M1111 WeakPolarHBondContact CA-O 3.21Å; R1059-E1112 HydrophobicContact CB-CG 4.37Å; R1059-E1112 WeakPolarHBondContact CD-OE1 3.3Å; R1059-E1112 HydrophobicContact CG-CB 4.28Å; R1059-E1112 HydrophobicContact CG-CG 4.26Å; R1059-E1112 IonicContact CZ-OE1 2.75Å; R1059-E1112 IonicContact NE-OE1 3.45Å; R1059-E1112 VanDerWaalsContact NH1-CD 3.33Å; R1059-E1112 IonicContact NH1-OE1 3.23Å; R1059-E1112 PolarHBondContact NH1-OE1 3Å; R1059-E1112 IonicContact NH1-OE2 2.98Å; R1059-E1112 PolarHBondContact NH1-OE2 2.98Å
1060	I	94.2	Very high	82.2	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.4	-174.7	-61.4	176	0	0	0	109.1	L1041 H1052 V1053 E1110 M1111	L1041-I1060 HydrophobicContact CD2-CD1 3.94Å; L1041-I1060 HydrophobicContact CG-CD1 4.11Å; H1052-I1060 HydrophobicContact CB-CG2 3.81Å; V1053-I1060 WeakPolarHBondContact O-CA 3.44Å; I1060-E1110 CarbonylContact O-C 3.46Å; I1060-E1110 WeakPolarHBondContact O-CA 3.37Å; I1060-M1111 HydrophobicContact CB-CE 4.06Å; I1060-M1111 HydrophobicContact CD1-CE 4.31Å; I1060-M1111 HydrophobicContact CG2-CE 3.91Å; I1060-M1111 PolarHBondContact N-O 3.34Å; I1060-M1111 PolarHBondContact O-N 3.28Å
1061	I	93.6	Very high	79.2	Confident	54 Å²	54	78.5 Å²	78.5	28%	0.277	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.8	157.9	-73.5	-178.3	0	0	0	108.1	H1052 V1053 L1055 W1109 E1110 I1129	H1052-I1061 CarbonylContact C-O 3.6Å; H1052-I1061 VanDerWaalsContact CA-O 3.26Å; H1052-I1061 WeakPolarHBondContact CA-O 3.29Å; V1053-I1061 PolarHBondContact N-O 3.45Å; V1053-I1061 PolarHBondContact O-N 2.71Å; L1055-I1061 HydrophobicContact CD1-CD1 3.78Å; L1055-I1061 HydrophobicContact CD1-CG1 3.87Å; L1055-I1061 HydrophobicContact CD2-CD1 4.34Å; L1055-I1061 HydrophobicContact CG-CD1 4.27Å; L1055-I1061 HydrophobicContact CG-CG1 4.2Å; I1061-W1109 WeakPolarHBondContact CA-O 3.47Å; I1061-E1110 HydrophobicContact CG1-CG 4.25Å; I1061-I1129 HydrophobicContact CD1-CD1 4.09Å; I1061-I1129 HydrophobicContact CG1-CD1 4.02Å; I1061-I1129 HydrophobicContact CG2-CD1 4.01Å
1062	C	94.7	Very high	76.3	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.007	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.2	175.8	-78.7	0	0	0	0	111.7	I1050 D1051 K1108 W1109 M1111	I1050-C1062 HydrophobicContact CG2-CB 3.62Å; D1051-C1062 CarbonylContact O-C 3.46Å; D1051-C1062 VanDerWaalsContact O-CA 3.24Å; D1051-C1062 WeakPolarHBondContact O-CA 3.35Å; C1062-K1108 WeakPolarHBondContact O-CA 3.24Å; C1062-W1109 HydrophobicContact CB-CD2 3.77Å; C1062-W1109 HydrophobicContact CB-CE3 4.31Å; C1062-W1109 HydrophobicContact CB-CG 4.23Å; C1062-W1109 HydrophobicContact CB-CH2 4.13Å; C1062-W1109 HydrophobicContact CB-CZ2 3.55Å; C1062-W1109 HydrophobicContact CB-CZ3 4.47Å; C1062-W1109 PolarHBondContact N-O 3.34Å; C1062-W1109 PolarHBondContact O-N 2.91Å; C1062-M1111 WeakPolarHBondContact SG-CE 3.44Å
1063	S	93.5	Very high	73.2	Confident	24 Å²	24	84.1 Å²	84.1	17%	0.168	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.5	167.1	55.8	0	0	0	0	112.6	D1051 L1107	D1051-S1063 WeakPolarHBondContact CB-O 3.22Å; D1051-S1063 PolarHBondContact N-O 2.93Å; D1051-S1063 VanDerWaalsContact N-O 3.13Å; D1051-S1063 PolarHBondContact O-N 3.44Å; S1063-L1107 CarbonylContact C-O 3.01Å; S1063-L1107 WeakPolarHBondContact CA-O 3.44Å; S1063-L1107 WeakPolarHBondContact CB-O 3.45Å
1064	Q	90.8	Very high	70.1	Confident	53 Å²	53	86.7 Å²	86.7	25%	0.248	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.3	176.3	-164.6	168.3	39.8	0	0	109.4	L1107 W1109	Q1064-L1107 PolarHBondContact N-O 2.83Å; Q1064-L1107 PolarHBondContact O-N 2.81Å; Q1064-W1109 HydrophobicContact CB-CH2 3.87Å; Q1064-W1109 HydrophobicContact CB-CZ3 3.92Å
1065	R	86.6	Confident	67.1	Low	190 Å²	190	90.9 Å²	90.9	72%	0.717	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.4	169.3	-71.1	-171.3	-177.6	-165.9	2.9	109.1	L1106	R1065-L1106 HydrophobicContact CG-CD1 4.1Å
1066	V	80.2	Confident	64.4	Low	23 Å²	23	96.8 Å²	96.8	14%	0.139	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.9	179.6	-170	0	0	0	0	109.1	C1068 S1104 S1105 L1107 H1135 I1139	V1066-C1068 PolarHBondContact O-N 2.99Å; V1066-S1104 CarbonylContact O-C 3.55Å; V1066-S1105 PolarHBondContact N-O 3.37Å; V1066-S1105 PolarHBondContact O-N 2.83Å; V1066-L1107 HydrophobicContact CG2-CB 3.86Å; V1066-L1107 HydrophobicContact CG2-CD2 4.47Å; V1066-H1135 HydrophobicContact CG1-CB 4.1Å; V1066-I1139 HydrophobicContact CG2-CD1 4.27Å
1067	H	67.4	Low	61.5	Low	120 Å²	120	101.9 Å²	101.9	56%	0.556	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.2	174.8	-82.8	-75.7	0	0	0	110.8	N1069	H1067-N1069 VanDerWaalsContact C-N 3.32Å; H1067-N1069 PolarHBondContact O-N 3.1Å
1068	C	50	Low	58.7	Low	42 Å²	42	105.6 Å²	105.6	28%	0.284	50%	0.502	S	S	.	.			trans	-77.8	76.2	-178.4	-58	0	0	0	0	111.5	V1066 Y1070 S1105	V1066-C1068 PolarHBondContact O-N 2.99Å; C1068-Y1070 VanDerWaalsContact C-N 3.34Å; C1068-Y1070 PolarHBondContact O-N 2.95Å; C1068-S1105 PolarHBondContact SG-OG 3.47Å; C1068-S1105 VanDerWaalsContact SG-OG 3.33Å
1069	N	40.8	Very low	55.5	Low	128 Å²	128	107.8 Å²	107.8	68%	0.684	52%	0.524	S	S	*	.			trans	-69.2	91.6	169.6	-82.7	3.2	0	0	0	110	H1067 Q1071	H1067-N1069 VanDerWaalsContact C-N 3.32Å; H1067-N1069 PolarHBondContact O-N 3.1Å; N1069-Q1071 PolarHBondContact O-N 3.05Å
1070	Y	34.6	Very low	52.4	Low	184 Å²	184	112.5 Å²	112.5	72%	0.722	55%	0.549	S	S	*	.			trans	-69.8	74.8	165.4	-100.6	-83.1	0	0	0	110.2	C1068 R1134	C1068-Y1070 VanDerWaalsContact C-N 3.34Å; C1068-Y1070 PolarHBondContact O-N 2.95Å; Y1070-R1134 PolarHBondContact OH-NH1 3.38Å; Y1070-R1134 PolarHBondContact OH-NH2 2.99Å
1071	Q	29.9	Very low	49.2	Very low	170 Å²	170	122.9 Å²	122.9	79%	0.794	59%	0.59	S	S	*	*			trans	-104.3	126.2	158.6	-78.3	-173.1	-29	0	0	108.9	N1069 Q1073	N1069-Q1071 PolarHBondContact O-N 3.05Å; Q1071-Q1073 PolarHBondContact O-N 2.99Å
1072	S	29.7	Very low	46.1	Very low	99 Å²	99	125.6 Å²	125.6	69%	0.692	61%	0.611	S	S	*	*			trans	-63.3	120.5	-173.8	47.3	0	0	0	0	112.1	N1074	S1072-N1074 PolarHBondContact O-N 3.3Å
1073	Q	28.3	Very low	42.8	Very low	183 Å²	183	135.2 Å²	135.2	86%	0.855	65%	0.653	S	S	*	*			trans	-73.6	77.6	161.5	-72.2	-166.3	-0.8	0	0	110	Q1071 K1075	Q1071-Q1073 PolarHBondContact O-N 2.99Å; Q1073-K1075 VanDerWaalsContact C-N 3.26Å; Q1073-K1075 PolarHBondContact O-N 3.23Å
1074	N	26.4	Very low	39.8	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	69%	0.689	S	S	*	*			trans	-68.7	89.1	162.3	-83.1	1.5	0	0	0	108.7	S1072	S1072-N1074 PolarHBondContact O-N 3.3Å
1075	K	26.1	Very low	36.6	Very low	176 Å²	176	143.8 Å²	143.8	77%	0.765	71%	0.711	S	S	*	*			trans	-110.7	85.9	163.6	-93.2	-165.4	169.7	-169.4	0	109.3	Q1073	Q1073-K1075 VanDerWaalsContact C-N 3.26Å; Q1073-K1075 PolarHBondContact O-N 3.23Å
1076	Y	27.3	Very low	33.8	Very low	222 Å²	222	140.3 Å²	140.3	87%	0.871	72%	0.716	S	S	*	*			trans	-171.9	102.5	144	-94.4	-61.6	0	0	0	108.7
1077	N	28.4	Very low	31.2	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	75%	0.747	S	S	*	*			trans	178.2	114.9	132.7	-90	-10.5	0	0	0	111.8
1078	N	25.7	Very low	29.4	Very low	143 Å²	143	151.3 Å²	151.3	77%	0.765	76%	0.764	S	S	*	*			trans	44.3	124.9	137.7	-63.6	5.4	0	0	0	123
1079	S	25.8	Very low	28.1	Very low	93 Å²	93	156.2 Å²	156.2	65%	0.65	79%	0.787	S	S	*	*			trans	41.9	126.5	133.3	65.2	0	0	0	0	122
1080	Q	26.2	Very low	27.7	Very low	161 Å²	161	159.1 Å²	159.1	75%	0.752	80%	0.796	S	S	*	*			trans	39.7	101.8	135.3	-65	162.3	-68.9	0	0	117.8
1081	Y	26.5	Very low	27.3	Very low	219 Å²	219	157.3 Å²	157.3	86%	0.859	80%	0.799	S	S	*	*				-175.3	157.6	100.9	-90.8	-68.7	0	0	0	109.6
1082	P	30.3	Very low	27.2	Very low	111 Å²	111	157.8 Å²	157.8	72%	0.721	80%	0.798	S	S	*	*			trans	-96.7	136.4	-171.6	35.3	-31.7	0	0	0	114.7
1083	K	24.9	Very low	27	Very low	204 Å²	204	161.6 Å²	161.6	89%	0.887	81%	0.81	S	S	*	*			trans	26.2	111	151.2	-63.2	-177.8	177.4	-177.5	0	119.4
1084	V	30	Very low	27	Very low	152 Å²	152	161.7 Å²	161.7	92%	0.921	80%	0.804	S	S	*	*			trans	-133.6	155.5	133.4	-177.8	0	0	0	0	107.9
1085	S	22.7	Very low	27	Very low	104 Å²	104	162.2 Å²	162.2	73%	0.727	80%	0.799	S	S	*	*			trans	-116.3	139.5	-172	52.9	0	0	0	0	113.3
1086	S	29.2	Very low	26.9	Very low	117 Å²	117	162.5 Å²	162.5	82%	0.818	81%	0.809	S	S	*	*			trans	-154.1	144.4	152.2	-47.1	0	0	0	0	111
1087	Q	26.2	Very low	26.8	Very low	167 Å²	167	155.8 Å²	155.8	78%	0.78	80%	0.795	S	S	*	*			trans	-68.3	150.1	171	-58.9	127.8	-76.9	0	0	111.4
1088	F	27.8	Very low	26.8	Very low	208 Å²	208	157.5 Å²	157.5	91%	0.912	80%	0.797	S	S	*	*			trans	-150.7	112.8	136	-99.8	-69.9	0	0	0	108.7
1089	D	24.4	Very low	26.9	Very low	145 Å²	145	157.6 Å²	157.6	78%	0.775	80%	0.798	S	S	*	*			trans	-76.7	136.3	167.1	-72.4	-61.6	0	0	0	109.5
1090	H	31.1	Very low	27.1	Very low	188 Å²	188	159.3 Å²	159.3	87%	0.87	81%	0.808	S	S	*	*			trans	-149.7	96.5	151.4	-120.2	-59.6	0	0	0	111.9	K1092	H1090-K1092 PolarHBondContact O-N 3.32Å
1091	D	25.9	Very low	27.5	Very low	146 Å²	146	156.9 Å²	156.9	78%	0.781	80%	0.8	S	S	*	*			trans	-60.6	122.3	164.4	-106.7	-39.9	0	0	0	110.5
1092	K	27.8	Very low	28.2	Very low	180 Å²	180	155 Å²	155	78%	0.783	80%	0.797	S	S	*	*			trans	157	96.3	130.5	-84.6	159.2	-175	172.5	0	112.7	H1090	H1090-K1092 PolarHBondContact O-N 3.32Å
1093	L	26.1	Very low	28.9	Very low	179 Å²	179	155.7 Å²	155.7	94%	0.937	79%	0.793	S	S	*	*	S	Bend	trans	-146.8	132.4	135.1	-115.9	162.7	0	0	0	108.6	K1095	L1093-K1095 PolarHBondContact O-N 3Å
1094	Y	28.6	Very low	30.5	Very low	186 Å²	186	147.6 Å²	147.6	73%	0.729	76%	0.762	S	S	*	*			trans	-83.6	123.6	-153.5	-109.4	-120.7	0	0	0	114.1
1095	K	25.5	Very low	32.5	Very low	159 Å²	159	141.4 Å²	141.4	69%	0.691	73%	0.726	S	S	*	*			trans	24.5	103.9	133.8	-64.7	177.4	178.4	176.6	0	116.2	L1093	L1093-K1095 PolarHBondContact O-N 3Å
1096	N	25.5	Very low	35.4	Very low	182 Å²	182	139.8 Å²	139.8	97%	0.973	71%	0.709	S	S	*	*			trans	-130.8	71.8	140	-114.6	-26.9	0	0	0	109.6
1097	S	24.1	Very low	38.2	Very low	81 Å²	81	134.2 Å²	134.2	57%	0.566	67%	0.67	S	S	*	*			trans	-127.7	122.7	165	66.2	0	0	0	0	108.1
1098	H	28.1	Very low	41.4	Very low	182 Å²	182	130 Å²	130	84%	0.843	65%	0.649	S	S	*	*			trans	-175.7	133.7	138	-82.8	-49	0	0	0	107.3
1099	N	28	Very low	44.5	Very low	146 Å²	146	120 Å²	120	78%	0.781	61%	0.605	S	S	*	*			trans	88.4	64.5	-172.4	-57.2	7.7	0	0	0	116.4
1100	C	29.4	Very low	47.7	Very low	128 Å²	128	113.7 Å²	113.7	87%	0.865	57%	0.571	S	S	*	*			trans	-106.7	101.6	137.4	179.9	0	0	0	0	107
1101	D	34.9	Very low	50.7	Low	110 Å²	110	104.8 Å²	104.8	59%	0.588	53%	0.529	S	S	*	.			trans	-58.2	140.8	179	-67	-70.6	0	0	0	111.4	I1103	D1101-I1103 HydrophobicContact CB-CG1 3.93Å; D1101-I1103 PolarHBondContact O-N 3.44Å
1102	K	41.7	Very low	53.9	Low	180 Å²	180	99.1 Å²	99.1	78%	0.783	50%	0.498	S	S	*	.			trans	-74.9	62.2	172.5	-72	-177.8	178.7	174.4	0	110.2	S1104	K1102-S1104 PolarHBondContact O-N 3.16Å
1103	I	46.1	Very low	56.9	Low	125 Å²	125	90.7 Å²	90.7	64%	0.641	46%	0.462	S	S	*	.			trans	-59	100.9	178.5	-59.2	174.7	0	0	0	108.2	D1101 S1105	D1101-I1103 HydrophobicContact CB-CG1 3.93Å; D1101-I1103 PolarHBondContact O-N 3.44Å; I1103-S1105 PolarHBondContact O-N 2.82Å; I1103-S1105 VanDerWaalsContact O-N 3.1Å
1104	S	57.2	Low	59.9	Low	35 Å²	35	82.8 Å²	82.8	25%	0.245	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	107	171.6	60.9	0	0	0	0	108	V1066 K1102 L1106	V1066-S1104 CarbonylContact O-C 3.55Å; K1102-S1104 PolarHBondContact O-N 3.16Å; S1104-L1106 PolarHBondContact O-N 2.87Å
1105	S	72	Confident	62.6	Low	22 Å²	22	78.7 Å²	78.7	15%	0.154	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.6	179.1	74.1	0	0	0	0	109	V1066 C1068 I1103 L1107	V1066-S1105 PolarHBondContact N-O 3.37Å; V1066-S1105 PolarHBondContact O-N 2.83Å; C1068-S1105 PolarHBondContact SG-OG 3.47Å; C1068-S1105 VanDerWaalsContact SG-OG 3.33Å; I1103-S1105 PolarHBondContact O-N 2.82Å; I1103-S1105 VanDerWaalsContact O-N 3.1Å; S1105-L1107 PolarHBondContact O-N 3.42Å
1106	L	84.2	Confident	65.3	Low	70 Å²	70	72.7 Å²	72.7	37%	0.366	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	96.7	174.1	-178	61.2	0	0	0	108.5	R1065 S1104 K1108	R1065-L1106 HydrophobicContact CG-CD1 4.1Å; S1104-L1106 PolarHBondContact O-N 2.87Å; L1106-K1108 HydrophobicContact CG-CG 4.33Å
1107	L	88.7	Confident	67.1	Low	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.6	173.4	-168.3	75.6	0	0	0	109.1	S1063 Q1064 V1066 S1105 W1109 D1132 L1136 I1139	S1063-L1107 CarbonylContact C-O 3.01Å; S1063-L1107 WeakPolarHBondContact CA-O 3.44Å; S1063-L1107 WeakPolarHBondContact CB-O 3.45Å; Q1064-L1107 PolarHBondContact N-O 2.83Å; Q1064-L1107 PolarHBondContact O-N 2.81Å; V1066-L1107 HydrophobicContact CG2-CB 3.86Å; V1066-L1107 HydrophobicContact CG2-CD2 4.47Å; S1105-L1107 PolarHBondContact O-N 3.42Å; L1107-W1109 HydrophobicContact CB-CZ3 4.38Å; L1107-W1109 HydrophobicContact CD2-CE3 3.89Å; L1107-W1109 HydrophobicContact CD2-CZ3 3.94Å; L1107-W1109 HydrophobicContact CG-CE3 4.01Å; L1107-W1109 HydrophobicContact CG-CZ3 4.25Å; L1107-D1132 WeakPolarHBondContact CD1-O 3.39Å; L1107-L1136 HydrophobicContact CD1-CB 4.4Å; L1107-L1136 HydrophobicContact CD2-CB 4.09Å; L1107-L1136 HydrophobicContact CD2-CD1 4.16Å; L1107-I1139 HydrophobicContact CD2-CD1 3.59Å
1108	K	91.8	Very high	69.3	Low	77 Å²	77	73.5 Å²	73.5	34%	0.335	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.4	174.3	-57.5	-162.8	174.6	-175.7	0	110.4	C1062 L1106 I1129 D1130	C1062-K1108 WeakPolarHBondContact O-CA 3.24Å; L1106-K1108 HydrophobicContact CG-CG 4.33Å; K1108-I1129 HydrophobicContact CB-CB 3.97Å; K1108-I1129 HydrophobicContact CB-CG2 4.38Å; K1108-I1129 WeakPolarHBondContact O-CA 3.43Å; K1108-I1129 WeakPolarHBondContact O-CB 3.48Å; K1108-I1129 PolarHBondContact O-N 2.88Å; K1108-D1130 HydrophobicContact CB-CB 4.14Å; K1108-D1130 HydrophobicContact CG-CB 4.35Å; K1108-D1130 PolarHBondContact N-O 3.31Å; K1108-D1130 PolarHBondContact O-N 3.34Å; K1108-D1130 VanDerWaalsContact O-N 3.16Å
1109	W	92.8	Very high	71.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	167.7	177	67.7	97.6	0	0	0	112.1	I1050 I1061 C1062 Q1064 L1107 F1126 K1127 I1129 L1136 I1139 L1143	I1050-W1109 HydrophobicContact CD1-CH2 4.35Å; I1050-W1109 HydrophobicContact CD1-CZ2 4.02Å; I1050-W1109 HydrophobicContact CG1-CH2 4.3Å; I1050-W1109 HydrophobicContact CG1-CZ2 4.39Å; I1050-W1109 HydrophobicContact CG2-CH2 3.82Å; I1050-W1109 HydrophobicContact CG2-CZ2 3.78Å; I1061-W1109 WeakPolarHBondContact CA-O 3.47Å; C1062-W1109 HydrophobicContact CB-CD2 3.77Å; C1062-W1109 HydrophobicContact CB-CE3 4.31Å; C1062-W1109 HydrophobicContact CB-CG 4.23Å; C1062-W1109 HydrophobicContact CB-CH2 4.13Å; C1062-W1109 HydrophobicContact CB-CZ2 3.55Å; C1062-W1109 HydrophobicContact CB-CZ3 4.47Å; C1062-W1109 PolarHBondContact N-O 3.34Å; C1062-W1109 PolarHBondContact O-N 2.91Å; Q1064-W1109 HydrophobicContact CB-CH2 3.87Å; Q1064-W1109 HydrophobicContact CB-CZ3 3.92Å; L1107-W1109 HydrophobicContact CB-CZ3 4.38Å; L1107-W1109 HydrophobicContact CD2-CE3 3.89Å; L1107-W1109 HydrophobicContact CD2-CZ3 3.94Å; L1107-W1109 HydrophobicContact CG-CE3 4.01Å; L1107-W1109 HydrophobicContact CG-CZ3 4.25Å; W1109-F1126 AromaticContact CD1-CD1 3.92Å; W1109-K1127 CarbonylContact C-O 3.53Å; W1109-K1127 VanDerWaalsContact CA-O 3.24Å; W1109-K1127 WeakPolarHBondContact CA-O 3.46Å; W1109-K1127 WeakPolarHBondContact CB-O 3.43Å; W1109-I1129 VanDerWaalsContact C-CD1 3.47Å; W1109-I1129 WeakPolarHBondContact O-CD1 3.48Å; W1109-L1136 HydrophobicContact CB-CD1 3.66Å; W1109-L1136 HydrophobicContact CB-CD2 4.35Å; W1109-L1136 HydrophobicContact CD2-CD1 3.93Å; W1109-L1136 HydrophobicContact CE3-CD1 4.28Å; W1109-L1136 HydrophobicContact CG-CD1 3.68Å; W1109-I1139 HydrophobicContact CH2-CD1 4.34Å; W1109-I1139 HydrophobicContact CH2-CG2 3.8Å; W1109-I1139 HydrophobicContact CZ2-CG2 3.56Å; W1109-I1139 HydrophobicContact CZ3-CD1 4.39Å; W1109-I1139 HydrophobicContact CZ3-CG2 4.47Å; W1109-L1143 HydrophobicContact CZ2-CD1 4.19Å
1110	E	92.5	Very high	73.7	Confident	11 Å²	11	66.7 Å²	66.7	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	178.6	-162.2	169.3	-147.7	0	0	108.5	W1023 R1059 I1060 I1061 F1126 K1127 I1129	W1023-E1110 HydrophobicContact CH2-CB 4.28Å; W1023-E1110 HydrophobicContact CH2-CG 3.83Å; W1023-E1110 HydrophobicContact CZ3-CB 4.43Å; W1023-E1110 HydrophobicContact CZ3-CG 4.4Å; R1059-E1110 IonicContact CZ-OE1 2.72Å; R1059-E1110 IonicContact CZ-OE2 3.81Å; R1059-E1110 IonicContact NE-OE1 2.84Å; R1059-E1110 PolarHBondContact NE-OE1 3.09Å; R1059-E1110 IonicContact NH2-OE1 3.06Å; R1059-E1110 PolarHBondContact NH2-OE1 2.86Å; R1059-E1110 IonicContact NH2-OE2 3.74Å; R1059-E1110 PolarHBondContact NH2-OE2 3.07Å; I1060-E1110 CarbonylContact O-C 3.46Å; I1060-E1110 WeakPolarHBondContact O-CA 3.37Å; I1061-E1110 HydrophobicContact CG1-CG 4.25Å; E1110-F1126 CarbonylContact O-C 3.55Å; E1110-F1126 WeakPolarHBondContact O-CA 3.41Å; E1110-K1127 HydrophobicContact CB-CB 4.24Å; E1110-K1127 HydrophobicContact CB-CD 4.48Å; E1110-K1127 PolarHBondContact N-O 3.47Å; E1110-K1127 PolarHBondContact O-N 3.14Å; E1110-K1127 WeakPolarHBondContact OE2-CD 3.16Å; E1110-K1127 WeakPolarHBondContact OE2-CE 3.42Å; E1110-K1127 IonicContact OE2-NZ 3.08Å; E1110-K1127 PolarHBondContact OE2-NZ 2.79Å; E1110-I1129 HydrophobicContact CB-CD1 4.1Å; E1110-I1129 HydrophobicContact CB-CG1 4.31Å
1111	M	93.1	Very high	76.5	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.4	172.5	-62.9	179.9	-57.1	0	0	109.2	L1041 V1045 R1059 I1060 C1062 R1125 F1126 L1143	L1041-M1111 HydrophobicContact CD1-CE 4.07Å; L1041-M1111 HydrophobicContact CD1-SD 4.17Å; V1045-M1111 HydrophobicContact CG2-CE 3.6Å; R1059-M1111 WeakPolarHBondContact CA-O 3.21Å; I1060-M1111 HydrophobicContact CB-CE 4.06Å; I1060-M1111 HydrophobicContact CD1-CE 4.31Å; I1060-M1111 HydrophobicContact CG2-CE 3.91Å; I1060-M1111 PolarHBondContact N-O 3.34Å; I1060-M1111 PolarHBondContact O-N 3.28Å; C1062-M1111 WeakPolarHBondContact SG-CE 3.44Å; M1111-R1125 VanDerWaalsContact CA-O 3.31Å; M1111-R1125 WeakPolarHBondContact CA-O 3.49Å; M1111-F1126 HydrophobicContact CG-CD1 3.55Å; M1111-F1126 HydrophobicContact CG-CE1 3.72Å; M1111-F1126 HydrophobicContact CG-CG 4.25Å; M1111-F1126 HydrophobicContact SD-CD1 3.85Å; M1111-F1126 HydrophobicContact SD-CE1 3.34Å; M1111-F1126 WeakPolarHBondContact SD-CE1 3.49Å; M1111-F1126 HydrophobicContact SD-CZ 4.02Å; M1111-L1143 HydrophobicContact SD-CD1 4.48Å
1112	E	93	Very high	79.1	Confident	27 Å²	27	59.2 Å²	59.2	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.5	178.5	-171.3	167.8	-130.5	0	0	111.3	W1023 Y1058 R1059 V1114 R1125	W1023-E1112 HydrophobicContact CH2-CB 3.35Å; W1023-E1112 HydrophobicContact CH2-CG 4.35Å; W1023-E1112 HydrophobicContact CZ2-CB 4.09Å; W1023-E1112 WeakPolarHBondContact CZ2-OE2 3.23Å; W1023-E1112 HydrophobicContact CZ3-CB 3.65Å; Y1058-E1112 CarbonylContact O-C 3.57Å; Y1058-E1112 VanDerWaalsContact O-CA 3.32Å; Y1058-E1112 WeakPolarHBondContact O-CA 3.47Å; R1059-E1112 HydrophobicContact CB-CG 4.37Å; R1059-E1112 WeakPolarHBondContact CD-OE1 3.3Å; R1059-E1112 HydrophobicContact CG-CB 4.28Å; R1059-E1112 HydrophobicContact CG-CG 4.26Å; R1059-E1112 IonicContact CZ-OE1 2.75Å; R1059-E1112 IonicContact NE-OE1 3.45Å; R1059-E1112 VanDerWaalsContact NH1-CD 3.33Å; R1059-E1112 IonicContact NH1-OE1 3.23Å; R1059-E1112 PolarHBondContact NH1-OE1 3Å; R1059-E1112 IonicContact NH1-OE2 2.98Å; R1059-E1112 PolarHBondContact NH1-OE2 2.98Å; E1112-V1114 HydrophobicContact CG-CG1 4.12Å; E1112-R1125 HydrophobicContact CB-CG 4.29Å; E1112-R1125 PolarHBondContact N-O 3.19Å; E1112-R1125 WeakPolarHBondContact O-CG 3.19Å; E1112-R1125 PolarHBondContact O-N 3.46Å; E1112-R1125 IonicContact OE2-CZ 2.73Å; E1112-R1125 IonicContact OE2-NE 2.71Å; E1112-R1125 PolarHBondContact OE2-NE 3.01Å; E1112-R1125 IonicContact OE2-NH2 3.15Å; E1112-R1125 PolarHBondContact OE2-NH2 2.87Å
1113	V	92.6	Very high	81.4	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.2	170.3	173.8	0	0	0	0	108.5	L1034 L1037 L1038 L1041 Y1058 G1123 I1124	L1034-V1113 HydrophobicContact CD1-CG1 3.68Å; L1037-V1113 HydrophobicContact CD2-CG1 3.72Å; L1037-V1113 HydrophobicContact CD2-CG2 4.38Å; L1038-V1113 HydrophobicContact CD2-CB 4.33Å; L1038-V1113 HydrophobicContact CD2-CG2 3.89Å; L1041-V1113 HydrophobicContact CD2-CG2 3.99Å; Y1058-V1113 PolarHBondContact O-N 3.11Å; V1113-G1123 WeakPolarHBondContact CA-O 3.44Å; V1113-I1124 HydrophobicContact CG2-CG1 3.79Å
1114	V	89.1	Confident	83.5	Confident	14 Å²	14	44.7 Å²	44.7	9%	0.085	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.1	177.3	-70.1	0	0	0	0	112.1	V1027 E1112 Y1122 G1123 R1125	V1027-V1114 HydrophobicContact CG2-CG2 4.31Å; E1112-V1114 HydrophobicContact CG-CG1 4.12Å; V1114-Y1122 CarbonylContact O-C 3.6Å; V1114-Y1122 VanDerWaalsContact O-CA 3.28Å; V1114-Y1122 WeakPolarHBondContact O-CA 3.27Å; V1114-G1123 PolarHBondContact N-O 3.06Å; V1114-G1123 PolarHBondContact O-N 2.59Å; V1114-R1125 HydrophobicContact CG2-CG 4.47Å
1115	Q	85.3	Confident	85.1	Confident	99 Å²	99	43.9 Å²	43.9	46%	0.463	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.7	167	-165.5	174.5	12.6	0	0	109.8	P1117 Y1122	Q1115-P1117 WeakPolarHBondContact O-CD 3.49Å; Q1115-Y1122 HydrophobicContact CB-CD1 3.86Å; Q1115-Y1122 HydrophobicContact CB-CE1 3.86Å; Q1115-Y1122 HydrophobicContact CG-CD1 4.06Å; Q1115-Y1122 HydrophobicContact CG-CE1 3.76Å
1116	L	80.7	Confident	86	Confident	33 Å²	33	42.9 Å²	42.9	17%	0.173	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	95.6	176.8	-75.9	172.7	0	0	0	109.5	V1027 Q1030 R1118 F1119 H1120 T1121	V1027-L1116 HydrophobicContact CB-CD1 4.28Å; V1027-L1116 HydrophobicContact CG1-CD1 4.04Å; V1027-L1116 HydrophobicContact CG2-CD1 4.24Å; V1027-L1116 HydrophobicContact CG2-CD2 4.11Å; V1027-L1116 HydrophobicContact CG2-CG 4.48Å; Q1030-L1116 HydrophobicContact CG-CD1 3.82Å; L1116-R1118 PolarHBondContact O-N 3.49Å; L1116-F1119 HydrophobicContact CB-CB 4.28Å; L1116-F1119 HydrophobicContact CB-CD2 4.19Å; L1116-F1119 HydrophobicContact CD1-CD2 4.23Å; L1116-F1119 PolarHBondContact O-N 2.79Å; L1116-H1120 PolarHBondContact O-N 2.68Å; L1116-T1121 PolarHBondContact N-O 3.15Å
1117	P	64.7	Low	86.1	Confident	97 Å²	97	40.9 Å²	40.9	63%	0.63	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-42.8	-170.1	-27.6	35.8	0	0	0	113.9	Q1115 F1119 H1120	Q1115-P1117 WeakPolarHBondContact O-CD 3.49Å; P1117-F1119 VanDerWaalsContact C-N 3.25Å; P1117-F1119 PolarHBondContact O-N 2.77Å; P1117-H1120 PolarHBondContact O-ND1 3.24Å
1118	R	70.3	Confident	86	Confident	183 Å²	183	42.2 Å²	42.2	69%	0.691	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.8	177.5	-79	-177.8	170.4	177.4	-6.1	113.7	E275 L1116	E275-R1118 VanDerWaalsContact CD-NH1 3.32Å; E275-R1118 IonicContact OE1-CZ 3.58Å; E275-R1118 VanDerWaalsContact OE1-CZ 3.24Å; E275-R1118 IonicContact OE1-NH1 2.81Å; E275-R1118 PolarHBondContact OE1-NH1 3.18Å; E275-R1118 IonicContact OE1-NH2 3.06Å; E275-R1118 PolarHBondContact OE1-NH2 3.43Å; E275-R1118 IonicContact OE2-CZ 3.12Å; E275-R1118 IonicContact OE2-NH1 3.55Å; E275-R1118 IonicContact OE2-NH2 3.08Å; L1116-R1118 PolarHBondContact O-N 3.49Å
1119	F	71.8	Confident	85.6	Confident	93 Å²	93	42.2 Å²	42.2	41%	0.408	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-9.3	-172.2	-61.6	-61.7	0	0	0	114.1	L1116 P1117 T1121	L1116-F1119 HydrophobicContact CB-CB 4.28Å; L1116-F1119 HydrophobicContact CB-CD2 4.19Å; L1116-F1119 HydrophobicContact CD1-CD2 4.23Å; L1116-F1119 PolarHBondContact O-N 2.79Å; P1117-F1119 VanDerWaalsContact C-N 3.25Å; P1117-F1119 PolarHBondContact O-N 2.77Å; F1119-T1121 HydrophobicContact CB-CG2 4.47Å; F1119-T1121 WeakPolarHBondContact CB-OG1 3.41Å; F1119-T1121 PolarHBondContact O-N 3.42Å
1120	H	76.7	Confident	85.1	Confident	92 Å²	92	45.4 Å²	45.4	43%	0.426	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23.7	-173.4	-59.9	62.4	0	0	0	113.3	F890 L1116 P1117	F890-H1120 AromaticContact CE2-NE2 3.89Å; F890-H1120 AromaticContact CZ-CD2 3.96Å; F890-H1120 AromaticContact CZ-NE2 3.74Å; L1116-H1120 PolarHBondContact O-N 2.68Å; P1117-H1120 PolarHBondContact O-ND1 3.24Å
1121	T	87.5	Confident	84.7	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	166	177.1	52.1	0	0	0	0	111.2	Q1030 L1116 F1119	Q1030-T1121 PolarHBondContact OE1-OG1 2.8Å; L1116-T1121 PolarHBondContact N-O 3.15Å; F1119-T1121 HydrophobicContact CB-CG2 4.47Å; F1119-T1121 WeakPolarHBondContact CB-OG1 3.41Å; F1119-T1121 PolarHBondContact O-N 3.42Å
1122	Y	90	Very high	83.9	Confident	60 Å²	60	47.9 Å²	47.9	24%	0.235	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.7	160.7	-55.3	-90.2	0	0	0	108.7	Q1030 N1031 P1032 L1034 V1114 Q1115	Q1030-Y1122 CarbonylContact C-O 3.5Å; Q1030-Y1122 WeakPolarHBondContact CA-O 3.46Å; N1031-Y1122 PolarHBondContact N-O 2.81Å; N1031-Y1122 PolarHBondContact O-N 3.13Å; P1032-Y1122 WeakPolarHBondContact O-CD2 3.42Å; P1032-Y1122 WeakPolarHBondContact O-CE2 3.08Å; L1034-Y1122 HydrophobicContact CB-CD1 4.3Å; L1034-Y1122 HydrophobicContact CB-CD2 3.73Å; L1034-Y1122 HydrophobicContact CB-CE1 4.3Å; L1034-Y1122 HydrophobicContact CB-CE2 3.75Å; L1034-Y1122 HydrophobicContact CB-CG 4.02Å; L1034-Y1122 HydrophobicContact CD1-CD1 3.82Å; L1034-Y1122 HydrophobicContact CD1-CE1 4.32Å; L1034-Y1122 HydrophobicContact CD1-CG 3.92Å; L1034-Y1122 HydrophobicContact CD2-CD1 4.26Å; L1034-Y1122 HydrophobicContact CD2-CE1 3.9Å; L1034-Y1122 HydrophobicContact CG-CD1 4.35Å; L1034-Y1122 HydrophobicContact CG-CE1 4.41Å; L1034-Y1122 HydrophobicContact CG-CG 4.44Å; V1114-Y1122 CarbonylContact O-C 3.6Å; V1114-Y1122 VanDerWaalsContact O-CA 3.28Å; V1114-Y1122 WeakPolarHBondContact O-CA 3.27Å; Q1115-Y1122 HydrophobicContact CB-CD1 3.86Å; Q1115-Y1122 HydrophobicContact CB-CE1 3.86Å; Q1115-Y1122 HydrophobicContact CG-CD1 4.06Å; Q1115-Y1122 HydrophobicContact CG-CE1 3.76Å
1123	G	89.4	Confident	83.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	163.5	173.3	0	0	0	0	0	114.9	V1029 V1113 V1114	V1029-G1123 CarbonylContact O-C 3.56Å; V1029-G1123 WeakPolarHBondContact O-CA 3.44Å; V1113-G1123 WeakPolarHBondContact CA-O 3.44Å; V1114-G1123 PolarHBondContact N-O 3.06Å; V1114-G1123 PolarHBondContact O-N 2.59Å
1124	I	91	Very high	82.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.4	-173.4	-61.9	152.9	0	0	0	110.3	V1027 A1028 V1029 L1037 L1041 V1113 F1126 L1147	V1027-I1124 CarbonylContact C-O 3.59Å; V1027-I1124 WeakPolarHBondContact CA-O 3.32Å; A1028-I1124 PolarHBondContact N-O 3.2Å; V1029-I1124 PolarHBondContact O-N 2.84Å; L1037-I1124 HydrophobicContact CD1-CD1 3.63Å; L1037-I1124 HydrophobicContact CD1-CG1 4.03Å; L1037-I1124 HydrophobicContact CD2-CG1 4.46Å; L1037-I1124 HydrophobicContact CG-CD1 4.19Å; L1037-I1124 HydrophobicContact CG-CG1 4.25Å; L1041-I1124 HydrophobicContact CB-CD1 4.22Å; L1041-I1124 HydrophobicContact CD1-CD1 4.11Å; L1041-I1124 HydrophobicContact CD2-CD1 4.41Å; L1041-I1124 HydrophobicContact CD2-CG1 4.37Å; L1041-I1124 HydrophobicContact CG-CD1 4.48Å; V1113-I1124 HydrophobicContact CG2-CG1 3.79Å; I1124-F1126 HydrophobicContact CG2-CD2 4.42Å; I1124-F1126 HydrophobicContact CG2-CE2 4Å; I1124-F1126 HydrophobicContact CG2-CZ 4.39Å; I1124-L1147 HydrophobicContact CD1-CD1 3.68Å; I1124-L1147 HydrophobicContact CD1-CD2 3.8Å; I1124-L1147 HydrophobicContact CD1-CG 4.37Å
1125	R	90.1	Very high	81.9	Confident	19 Å²	19	60 Å²	60	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.2	168.1	55.1	169.5	-175.6	-135.7	5.9	111	L1021 W1023 M1111 E1112 V1114	L1021-R1125 VanDerWaalsContact CD2-CZ 3.45Å; L1021-R1125 VanDerWaalsContact CD2-NH1 3.27Å; W1023-R1125 HydrophobicContact CD2-CG 4.01Å; W1023-R1125 HydrophobicContact CE3-CB 4Å; W1023-R1125 HydrophobicContact CE3-CG 3.5Å; W1023-R1125 HydrophobicContact CZ3-CG 3.96Å; W1023-R1125 WeakPolarHBondContact CZ3-O 3.41Å; M1111-R1125 VanDerWaalsContact CA-O 3.31Å; M1111-R1125 WeakPolarHBondContact CA-O 3.49Å; E1112-R1125 HydrophobicContact CB-CG 4.29Å; E1112-R1125 PolarHBondContact N-O 3.19Å; E1112-R1125 WeakPolarHBondContact O-CG 3.19Å; E1112-R1125 PolarHBondContact O-N 3.46Å; E1112-R1125 IonicContact OE2-CZ 2.73Å; E1112-R1125 IonicContact OE2-NE 2.71Å; E1112-R1125 PolarHBondContact OE2-NE 3.01Å; E1112-R1125 IonicContact OE2-NH2 3.15Å; E1112-R1125 PolarHBondContact OE2-NH2 2.87Å; V1114-R1125 HydrophobicContact CG2-CG 4.47Å
1126	F	90.8	Very high	81.8	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	162	-178.3	-67.3	-103.6	0	0	0	111.3	W1023 S1024 A1028 W1109 E1110 M1111 I1124 E1140 L1143	W1023-F1126 CarbonylContact C-O 3.6Å; W1023-F1126 WeakPolarHBondContact CB-O 3.41Å; W1023-F1126 VanDerWaalsContact CE3-C 3.46Å; W1023-F1126 VanDerWaalsContact CE3-O 3.23Å; S1024-F1126 WeakPolarHBondContact CA-O 3.27Å; S1024-F1126 VanDerWaalsContact CB-O 3.31Å; S1024-F1126 WeakPolarHBondContact CB-O 3.26Å; S1024-F1126 PolarHBondContact N-O 3.47Å; A1028-F1126 HydrophobicContact CB-CD2 4.09Å; A1028-F1126 HydrophobicContact CB-CE2 3.77Å; W1109-F1126 AromaticContact CD1-CD1 3.92Å; E1110-F1126 CarbonylContact O-C 3.55Å; E1110-F1126 WeakPolarHBondContact O-CA 3.41Å; M1111-F1126 HydrophobicContact CG-CD1 3.55Å; M1111-F1126 HydrophobicContact CG-CE1 3.72Å; M1111-F1126 HydrophobicContact CG-CG 4.25Å; M1111-F1126 HydrophobicContact SD-CD1 3.85Å; M1111-F1126 HydrophobicContact SD-CE1 3.34Å; M1111-F1126 WeakPolarHBondContact SD-CE1 3.49Å; M1111-F1126 HydrophobicContact SD-CZ 4.02Å; I1124-F1126 HydrophobicContact CG2-CD2 4.42Å; I1124-F1126 HydrophobicContact CG2-CE2 4Å; I1124-F1126 HydrophobicContact CG2-CZ 4.39Å; F1126-E1140 HydrophobicContact CB-CG 3.82Å; F1126-E1140 WeakPolarHBondContact CB-OE1 3.18Å; F1126-E1140 HydrophobicContact CD1-CG 3.83Å; F1126-E1140 HydrophobicContact CD2-CG 4.15Å; F1126-E1140 HydrophobicContact CE1-CG 4.4Å; F1126-E1140 HydrophobicContact CG-CG 3.7Å; F1126-L1143 HydrophobicContact CE1-CB 4.27Å; F1126-L1143 HydrophobicContact CE1-CD1 3.79Å; F1126-L1143 HydrophobicContact CZ-CB 4Å; F1126-L1143 HydrophobicContact CZ-CD1 4.34Å
1127	K	86	Confident	81.7	Confident	28 Å²	28	62.7 Å²	62.7	12%	0.122	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	123.3	177.2	166.5	-173.9	161.3	-158.8	0	111.2	N87 N1022 W1023 W1109 E1110	N87-K1127 PolarHBondContact OD1-NZ 2.84Å; N1022-K1127 WeakPolarHBondContact O-CD 3.15Å; N1022-K1127 WeakPolarHBondContact O-CG 3.45Å; W1023-K1127 HydrophobicContact CB-CB 4.37Å; W1023-K1127 HydrophobicContact CD2-CB 3.7Å; W1023-K1127 HydrophobicContact CD2-CD 3.99Å; W1023-K1127 HydrophobicContact CD2-CG 4.42Å; W1023-K1127 HydrophobicContact CE3-CB 3.49Å; W1023-K1127 VanDerWaalsContact CE3-CB 3.49Å; W1023-K1127 HydrophobicContact CE3-CD 4.42Å; W1023-K1127 HydrophobicContact CG-CB 4.12Å; W1023-K1127 HydrophobicContact CG-CD 4.34Å; W1023-K1127 HydrophobicContact CH2-CB 4.43Å; W1023-K1127 HydrophobicContact CH2-CD 4.38Å; W1023-K1127 HydrophobicContact CZ2-CD 4.04Å; W1023-K1127 HydrophobicContact CZ3-CB 3.86Å; W1109-K1127 CarbonylContact C-O 3.53Å; W1109-K1127 VanDerWaalsContact CA-O 3.24Å; W1109-K1127 WeakPolarHBondContact CA-O 3.46Å; W1109-K1127 WeakPolarHBondContact CB-O 3.43Å; E1110-K1127 HydrophobicContact CB-CB 4.24Å; E1110-K1127 HydrophobicContact CB-CD 4.48Å; E1110-K1127 PolarHBondContact N-O 3.47Å; E1110-K1127 PolarHBondContact O-N 3.14Å; E1110-K1127 WeakPolarHBondContact OE2-CD 3.16Å; E1110-K1127 WeakPolarHBondContact OE2-CE 3.42Å; E1110-K1127 IonicContact OE2-NZ 3.08Å; E1110-K1127 PolarHBondContact OE2-NZ 2.79Å
1128	G	86.4	Confident	82.6	Confident	27 Å²	27	62.1 Å²	62.1	28%	0.278	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.7	174.2	0	0	0	0	0	113.4	L1136	G1128-L1136 VanDerWaalsContact CA-CD2 3.43Å
1129	I	84.7	Confident	83.4	Confident	77 Å²	77	54.6 Å²	54.6	40%	0.395	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-51.7	174	-58.4	169.5	0	0	0	110.4	I1061 K1108 W1109 E1110	I1061-I1129 HydrophobicContact CD1-CD1 4.09Å; I1061-I1129 HydrophobicContact CG1-CD1 4.02Å; I1061-I1129 HydrophobicContact CG2-CD1 4.01Å; K1108-I1129 HydrophobicContact CB-CB 3.97Å; K1108-I1129 HydrophobicContact CB-CG2 4.38Å; K1108-I1129 WeakPolarHBondContact O-CA 3.43Å; K1108-I1129 WeakPolarHBondContact O-CB 3.48Å; K1108-I1129 PolarHBondContact O-N 2.88Å; W1109-I1129 VanDerWaalsContact C-CD1 3.47Å; W1109-I1129 WeakPolarHBondContact O-CD1 3.48Å; E1110-I1129 HydrophobicContact CB-CD1 4.1Å; E1110-I1129 HydrophobicContact CB-CG1 4.31Å
1130	D	82.5	Confident	84.2	Confident	68 Å²	68	51.4 Å²	51.4	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	163.6	-174.8	-157.4	-3.5	0	0	0	110.9	K1108	K1108-D1130 HydrophobicContact CB-CB 4.14Å; K1108-D1130 HydrophobicContact CG-CB 4.35Å; K1108-D1130 PolarHBondContact N-O 3.31Å; K1108-D1130 PolarHBondContact O-N 3.34Å; K1108-D1130 VanDerWaalsContact O-N 3.16Å
1131	G	82.3	Confident	84.5	Confident	29 Å²	29	55.2 Å²	55.2	30%	0.299	27%	0.271	S	S	.	.	S	Bend	trans	85.2	-177	-177.8	0	0	0	0	0	115.2	L1133	G1131-L1133 PolarHBondContact O-N 2.82Å
1132	D	77.9	Confident	84.6	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.182	29%	0.287	C	S	.	.			trans	-75	96.4	-176	-176.6	-3.3	0	0	0	112.1	L1107 R1134 H1135	L1107-D1132 WeakPolarHBondContact CD1-O 3.39Å; D1132-R1134 PolarHBondContact O-N 3.07Å; D1132-R1134 VanDerWaalsContact OD1-CB 3.26Å; D1132-R1134 WeakPolarHBondContact OD1-CB 3.45Å; D1132-R1134 VanDerWaalsContact OD1-CG 3.31Å; D1132-R1134 WeakPolarHBondContact OD1-CG 3.31Å; D1132-R1134 IonicContact OD1-CZ 3.15Å; D1132-R1134 PolarHBondContact OD1-N 2.85Å; D1132-R1134 IonicContact OD1-NE 3.64Å; D1132-R1134 PolarHBondContact OD1-NE 3.32Å; D1132-R1134 IonicContact OD1-NH2 2.63Å; D1132-R1134 IonicContact OD2-CZ 3.39Å; D1132-R1134 VanDerWaalsContact OD2-CZ 3.31Å; D1132-R1134 IonicContact OD2-NE 3.97Å; D1132-R1134 PolarHBondContact OD2-NE 3.13Å; D1132-R1134 VanDerWaalsContact OD2-NE 3.08Å; D1132-R1134 IonicContact OD2-NH2 2.76Å; D1132-R1134 PolarHBondContact OD2-NH2 2.97Å; D1132-H1135 WeakPolarHBondContact O-CB 3.41Å; D1132-H1135 PolarHBondContact O-N 3.35Å; D1132-H1135 PolarHBondContact O-ND1 3.25Å; D1132-H1135 IonicContact OD2-CE1 2.77Å; D1132-H1135 PolarHBondContact OD2-CE1 3Å; D1132-H1135 VanDerWaalsContact OD2-CE1 3.31Å; D1132-H1135 IonicContact OD2-ND1 2.96Å; D1132-H1135 PolarHBondContact OD2-ND1 2.59Å
1133	L	76.7	Confident	84.6	Confident	94 Å²	94	54.6 Å²	54.6	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-12.1	-177.9	-57.1	-177.9	0	0	0	114.7	G1131 H1135 L1136	G1131-L1133 PolarHBondContact O-N 2.82Å; L1133-H1135 VanDerWaalsContact C-N 3.27Å; L1133-H1135 PolarHBondContact O-N 2.94Å; L1133-L1136 HydrophobicContact CD2-CD2 4.05Å; L1133-L1136 WeakPolarHBondContact O-CB 3.5Å; L1133-L1136 PolarHBondContact O-N 3.25Å
1134	R	74.7	Confident	84.6	Confident	154 Å²	154	56 Å²	56	58%	0.581	29%	0.285	S	S	*	.	H	α-helix	trans	-62.9	-36.5	170.1	-61.8	176.2	-66.1	-176.4	6.1	111.2	Y1070 D1132	Y1070-R1134 PolarHBondContact OH-NH1 3.38Å; Y1070-R1134 PolarHBondContact OH-NH2 2.99Å; D1132-R1134 PolarHBondContact O-N 3.07Å; D1132-R1134 VanDerWaalsContact OD1-CB 3.26Å; D1132-R1134 WeakPolarHBondContact OD1-CB 3.45Å; D1132-R1134 VanDerWaalsContact OD1-CG 3.31Å; D1132-R1134 WeakPolarHBondContact OD1-CG 3.31Å; D1132-R1134 IonicContact OD1-CZ 3.15Å; D1132-R1134 PolarHBondContact OD1-N 2.85Å; D1132-R1134 IonicContact OD1-NE 3.64Å; D1132-R1134 PolarHBondContact OD1-NE 3.32Å; D1132-R1134 IonicContact OD1-NH2 2.63Å; D1132-R1134 IonicContact OD2-CZ 3.39Å; D1132-R1134 VanDerWaalsContact OD2-CZ 3.31Å; D1132-R1134 IonicContact OD2-NE 3.97Å; D1132-R1134 PolarHBondContact OD2-NE 3.13Å; D1132-R1134 VanDerWaalsContact OD2-NE 3.08Å; D1132-R1134 IonicContact OD2-NH2 2.76Å; D1132-R1134 PolarHBondContact OD2-NH2 2.97Å
1135	H	80	Confident	84.4	Confident	52 Å²	52	57.9 Å²	57.9	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-73.6	-28.6	175.5	-60.8	90.8	0	0	0	112.4	V1066 D1132 L1133 R1137 S1138 I1139	V1066-H1135 HydrophobicContact CG1-CB 4.1Å; D1132-H1135 WeakPolarHBondContact O-CB 3.41Å; D1132-H1135 PolarHBondContact O-N 3.35Å; D1132-H1135 PolarHBondContact O-ND1 3.25Å; D1132-H1135 IonicContact OD2-CE1 2.77Å; D1132-H1135 PolarHBondContact OD2-CE1 3Å; D1132-H1135 VanDerWaalsContact OD2-CE1 3.31Å; D1132-H1135 IonicContact OD2-ND1 2.96Å; D1132-H1135 PolarHBondContact OD2-ND1 2.59Å; L1133-H1135 VanDerWaalsContact C-N 3.27Å; L1133-H1135 PolarHBondContact O-N 2.94Å; H1135-R1137 VanDerWaalsContact C-N 3.33Å; H1135-R1137 PolarHBondContact O-N 2.66Å; H1135-S1138 WeakPolarHBondContact O-CB 3.42Å; H1135-S1138 PolarHBondContact O-N 2.63Å; H1135-I1139 PolarHBondContact O-N 3.48Å; H1135-I1139 VanDerWaalsContact O-N 3.09Å
1136	L	83.4	Confident	84.4	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-42.6	179	-177.1	60.8	0	0	0	111.9	L1107 W1109 G1128 L1133 S1138 I1139 E1140	L1107-L1136 HydrophobicContact CD1-CB 4.4Å; L1107-L1136 HydrophobicContact CD2-CB 4.09Å; L1107-L1136 HydrophobicContact CD2-CD1 4.16Å; W1109-L1136 HydrophobicContact CB-CD1 3.66Å; W1109-L1136 HydrophobicContact CB-CD2 4.35Å; W1109-L1136 HydrophobicContact CD2-CD1 3.93Å; W1109-L1136 HydrophobicContact CE3-CD1 4.28Å; W1109-L1136 HydrophobicContact CG-CD1 3.68Å; G1128-L1136 VanDerWaalsContact CA-CD2 3.43Å; L1133-L1136 HydrophobicContact CD2-CD2 4.05Å; L1133-L1136 WeakPolarHBondContact O-CB 3.5Å; L1133-L1136 PolarHBondContact O-N 3.25Å; L1136-S1138 PolarHBondContact O-N 2.66Å; L1136-I1139 PolarHBondContact O-N 2.94Å; L1136-I1139 VanDerWaalsContact O-N 3.13Å; L1136-E1140 HydrophobicContact CD1-CG 4.31Å; L1136-E1140 HydrophobicContact CG-CG 4.25Å; L1136-E1140 WeakPolarHBondContact O-CB 3.28Å; L1136-E1140 WeakPolarHBondContact O-CG 3.42Å; L1136-E1140 PolarHBondContact O-N 3.32Å
1137	R	79.5	Confident	84.4	Confident	184 Å²	184	59.2 Å²	59.2	69%	0.694	31%	0.311	S	S	*	.	H	α-helix	trans	-58.5	-31.6	175.5	-73.9	-169.3	177.3	-164.7	0.9	113	H1135 K1141	H1135-R1137 VanDerWaalsContact C-N 3.33Å; H1135-R1137 PolarHBondContact O-N 2.66Å; R1137-K1141 WeakPolarHBondContact O-CB 3.17Å; R1137-K1141 PolarHBondContact O-N 3.31Å; R1137-K1141 VanDerWaalsContact O-N 3.17Å
1138	S	83	Confident	84.5	Confident	85 Å²	85	60.8 Å²	60.8	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-74.9	-41	176.9	-163.1	0	0	0	0	111.8	H1135 L1136 K1141 S1142	H1135-S1138 WeakPolarHBondContact O-CB 3.42Å; H1135-S1138 PolarHBondContact O-N 2.63Å; L1136-S1138 PolarHBondContact O-N 2.66Å; S1138-K1141 PolarHBondContact O-N 3.14Å; S1138-S1142 WeakPolarHBondContact O-CB 3.03Å; S1138-S1142 PolarHBondContact O-N 2.72Å
1139	I	86.6	Confident	84.5	Confident	24 Å²	24	66.2 Å²	66.2	12%	0.123	34%	0.341	C	S	.	.	H	α-helix	trans	-68.3	-43.5	176.5	-74.9	165.3	0	0	0	111.1	V1066 L1107 W1109 H1135 L1136 K1141 S1142 L1143	V1066-I1139 HydrophobicContact CG2-CD1 4.27Å; L1107-I1139 HydrophobicContact CD2-CD1 3.59Å; W1109-I1139 HydrophobicContact CH2-CD1 4.34Å; W1109-I1139 HydrophobicContact CH2-CG2 3.8Å; W1109-I1139 HydrophobicContact CZ2-CG2 3.56Å; W1109-I1139 HydrophobicContact CZ3-CD1 4.39Å; W1109-I1139 HydrophobicContact CZ3-CG2 4.47Å; H1135-I1139 PolarHBondContact O-N 3.48Å; H1135-I1139 VanDerWaalsContact O-N 3.09Å; L1136-I1139 PolarHBondContact O-N 2.94Å; L1136-I1139 VanDerWaalsContact O-N 3.13Å; I1139-K1141 VanDerWaalsContact C-N 3.34Å; I1139-K1141 PolarHBondContact O-N 3.05Å; I1139-S1142 PolarHBondContact O-N 3.18Å; I1139-L1143 HydrophobicContact CG2-CD1 3.71Å; I1139-L1143 HydrophobicContact CG2-CG 4.39Å; I1139-L1143 WeakPolarHBondContact O-CB 3.25Å; I1139-L1143 WeakPolarHBondContact O-CG 3.31Å; I1139-L1143 PolarHBondContact O-N 3.5Å
1140	E	88.2	Confident	84.7	Confident	26 Å²	26	63.9 Å²	63.9	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-52.5	-51.8	170.2	-77.2	-174.2	75.2	0	0	110.8	S1024 F1126 L1136 S1142 L1143 T1144	S1024-E1140 WeakPolarHBondContact CB-OE1 3.24Å; S1024-E1140 WeakPolarHBondContact CB-OE2 3.32Å; S1024-E1140 PolarHBondContact OG-OE2 3.08Å; F1126-E1140 HydrophobicContact CB-CG 3.82Å; F1126-E1140 WeakPolarHBondContact CB-OE1 3.18Å; F1126-E1140 HydrophobicContact CD1-CG 3.83Å; F1126-E1140 HydrophobicContact CD2-CG 4.15Å; F1126-E1140 HydrophobicContact CE1-CG 4.4Å; F1126-E1140 HydrophobicContact CG-CG 3.7Å; L1136-E1140 HydrophobicContact CD1-CG 4.31Å; L1136-E1140 HydrophobicContact CG-CG 4.25Å; L1136-E1140 WeakPolarHBondContact O-CB 3.28Å; L1136-E1140 WeakPolarHBondContact O-CG 3.42Å; L1136-E1140 PolarHBondContact O-N 3.32Å; E1140-S1142 PolarHBondContact O-N 3.19Å; E1140-L1143 PolarHBondContact O-N 3.18Å; E1140-T1144 WeakPolarHBondContact O-CB 3.41Å; E1140-T1144 PolarHBondContact O-N 3.46Å; E1140-T1144 PolarHBondContact O-OG1 3.43Å
1141	K	85	Confident	84.8	Confident	172 Å²	172	61 Å²	61	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-38.2	-177.3	-163	175.3	-175.5	-176.6	0	112.5	R1137 S1138 I1139 G1145	R1137-K1141 WeakPolarHBondContact O-CB 3.17Å; R1137-K1141 PolarHBondContact O-N 3.31Å; R1137-K1141 VanDerWaalsContact O-N 3.17Å; S1138-K1141 PolarHBondContact O-N 3.14Å; I1139-K1141 VanDerWaalsContact C-N 3.34Å; I1139-K1141 PolarHBondContact O-N 3.05Å; K1141-G1145 PolarHBondContact O-N 3.08Å; K1141-G1145 VanDerWaalsContact O-N 3.09Å
1142	S	88.2	Confident	84.8	Confident	65 Å²	65	63.7 Å²	63.7	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-53.7	174.3	179.8	0	0	0	0	112.1	S1138 I1139 E1140 T1144 G1145 Q1146	S1138-S1142 WeakPolarHBondContact O-CB 3.03Å; S1138-S1142 PolarHBondContact O-N 2.72Å; I1139-S1142 PolarHBondContact O-N 3.18Å; E1140-S1142 PolarHBondContact O-N 3.19Å; S1142-T1144 VanDerWaalsContact C-N 3.31Å; S1142-T1144 PolarHBondContact O-N 3.13Å; S1142-G1145 PolarHBondContact O-N 3.43Å; S1142-G1145 VanDerWaalsContact O-N 3.17Å; S1142-Q1146 PolarHBondContact O-N 3.33Å
1143	L	90.8	Very high	84.9	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-40.6	179.4	-73.2	169.7	0	0	0	111.6	V1044 I1050 W1109 M1111 F1126 I1139 E1140 G1145 Q1146 L1147	V1044-L1143 HydrophobicContact CG1-CD2 3.78Å; I1050-L1143 HydrophobicContact CD1-CD1 3.95Å; I1050-L1143 HydrophobicContact CD1-CD2 3.76Å; I1050-L1143 HydrophobicContact CD1-CG 4.29Å; W1109-L1143 HydrophobicContact CZ2-CD1 4.19Å; M1111-L1143 HydrophobicContact SD-CD1 4.48Å; F1126-L1143 HydrophobicContact CE1-CB 4.27Å; F1126-L1143 HydrophobicContact CE1-CD1 3.79Å; F1126-L1143 HydrophobicContact CZ-CB 4Å; F1126-L1143 HydrophobicContact CZ-CD1 4.34Å; I1139-L1143 HydrophobicContact CG2-CD1 3.71Å; I1139-L1143 HydrophobicContact CG2-CG 4.39Å; I1139-L1143 WeakPolarHBondContact O-CB 3.25Å; I1139-L1143 WeakPolarHBondContact O-CG 3.31Å; I1139-L1143 PolarHBondContact O-N 3.5Å; E1140-L1143 PolarHBondContact O-N 3.18Å; L1143-G1145 PolarHBondContact O-N 3.14Å; L1143-Q1146 PolarHBondContact O-N 3.06Å; L1143-L1147 VanDerWaalsContact O-CB 3.25Å; L1143-L1147 WeakPolarHBondContact O-CB 3.38Å; L1143-L1147 WeakPolarHBondContact O-CD1 3.12Å; L1143-L1147 WeakPolarHBondContact O-CG 3.14Å; L1143-L1147 PolarHBondContact O-N 3.09Å
1144	T	89.2	Confident	85	Confident	30 Å²	30	65.3 Å²	65.3	18%	0.184	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-45.5	174.9	-59.1	0	0	0	0	111.6	A1028 V1029 E1140 S1142 V1148	A1028-T1144 HydrophobicContact CB-CG2 4.08Å; A1028-T1144 WeakPolarHBondContact CB-OG1 3.41Å; A1028-T1144 WeakPolarHBondContact O-CG2 3.28Å; V1029-T1144 HydrophobicContact CG2-CG2 3.76Å; E1140-T1144 WeakPolarHBondContact O-CB 3.41Å; E1140-T1144 PolarHBondContact O-N 3.46Å; E1140-T1144 PolarHBondContact O-OG1 3.43Å; S1142-T1144 VanDerWaalsContact C-N 3.31Å; S1142-T1144 PolarHBondContact O-N 3.13Å; T1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; T1144-V1148 PolarHBondContact O-N 3.47Å
1145	G	87	Confident	84.4	Confident	39 Å²	39	67.8 Å²	67.8	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-49.7	175.9	0	0	0	0	0	112.4	K1141 S1142 L1143 V1148 Q1149	K1141-G1145 PolarHBondContact O-N 3.08Å; K1141-G1145 VanDerWaalsContact O-N 3.09Å; S1142-G1145 PolarHBondContact O-N 3.43Å; S1142-G1145 VanDerWaalsContact O-N 3.17Å; L1143-G1145 PolarHBondContact O-N 3.14Å; G1145-V1148 PolarHBondContact O-N 3.29Å; G1145-Q1149 WeakPolarHBondContact O-CB 3.27Å; G1145-Q1149 PolarHBondContact O-N 3.12Å
1146	Q	90.2	Very high	84.6	Confident	46 Å²	46	68.6 Å²	68.6	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-46.8	177.4	-70.1	-174.9	71.2	0	0	112.4	V1044 S1048 S1142 L1143 V1148 Q1149 T1150	V1044-Q1146 HydrophobicContact CG1-CB 3.59Å; V1044-Q1146 HydrophobicContact CG2-CB 4.23Å; S1048-Q1146 PolarHBondContact OG-NE2 2.77Å; S1048-Q1146 PolarHBondContact OG-OE1 3.48Å; S1142-Q1146 PolarHBondContact O-N 3.33Å; L1143-Q1146 PolarHBondContact O-N 3.06Å; Q1146-V1148 PolarHBondContact O-N 3.49Å; Q1146-Q1149 PolarHBondContact O-N 3.34Å; Q1146-T1150 PolarHBondContact O-N 3.02Å; Q1146-T1150 PolarHBondContact O-OG1 2.86Å
1147	L	90.6	Very high	84.7	Confident	1 Å²	1	72 Å²	72	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-54.4	-50.6	176	-78.9	165	0	0	0	111.5	V1029 T1040 L1041 V1044 I1124 L1143 M1151	V1029-L1147 HydrophobicContact CG2-CB 3.82Å; V1029-L1147 HydrophobicContact CG2-CD1 3.96Å; T1040-L1147 HydrophobicContact CG2-CD2 4.16Å; L1041-L1147 HydrophobicContact CB-CD2 4.23Å; L1041-L1147 HydrophobicContact CD1-CD2 4.21Å; V1044-L1147 HydrophobicContact CB-CD2 4.25Å; V1044-L1147 HydrophobicContact CB-CG 4.47Å; V1044-L1147 HydrophobicContact CG1-CG 4.26Å; V1044-L1147 HydrophobicContact CG2-CD2 4.33Å; I1124-L1147 HydrophobicContact CD1-CD1 3.68Å; I1124-L1147 HydrophobicContact CD1-CD2 3.8Å; I1124-L1147 HydrophobicContact CD1-CG 4.37Å; L1143-L1147 VanDerWaalsContact O-CB 3.25Å; L1143-L1147 WeakPolarHBondContact O-CB 3.38Å; L1143-L1147 WeakPolarHBondContact O-CD1 3.12Å; L1143-L1147 WeakPolarHBondContact O-CG 3.14Å; L1143-L1147 PolarHBondContact O-N 3.09Å; L1147-M1151 HydrophobicContact CB-CE 4.03Å; L1147-M1151 HydrophobicContact CD2-CE 4.25Å; L1147-M1151 WeakPolarHBondContact O-CB 3.19Å; L1147-M1151 WeakPolarHBondContact O-CE 3.26Å; L1147-M1151 PolarHBondContact O-N 2.84Å
1148	V	86.8	Confident	85	Confident	61 Å²	61	65.8 Å²	65.8	37%	0.37	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-42.7	178.7	170.8	0	0	0	0	111.2	V1029 T1144 G1145 Q1146 M1151 N1152	V1029-V1148 HydrophobicContact CB-CG2 4.43Å; V1029-V1148 HydrophobicContact CG1-CG2 3.78Å; V1029-V1148 HydrophobicContact CG2-CG2 3.85Å; T1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; T1144-V1148 PolarHBondContact O-N 3.47Å; G1145-V1148 PolarHBondContact O-N 3.29Å; Q1146-V1148 PolarHBondContact O-N 3.49Å; V1148-M1151 PolarHBondContact O-N 3.12Å; V1148-N1152 WeakPolarHBondContact O-CB 3.11Å; V1148-N1152 PolarHBondContact O-N 3.03Å; V1148-N1152 PolarHBondContact O-ND2 3.12Å
1149	Q	87.6	Confident	85.1	Confident	142 Å²	142	64.6 Å²	64.6	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-46.8	-179.8	-166.4	174.1	20	0	0	111.5	G1145 Q1146 N1152 S1153	G1145-Q1149 WeakPolarHBondContact O-CB 3.27Å; G1145-Q1149 PolarHBondContact O-N 3.12Å; Q1146-Q1149 PolarHBondContact O-N 3.34Å; Q1149-N1152 PolarHBondContact O-N 2.88Å; Q1149-S1153 PolarHBondContact O-N 2.91Å; Q1149-S1153 VanDerWaalsContact O-N 3.08Å
1150	T	88.7	Confident	85	Confident	28 Å²	28	67.2 Å²	67.2	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-69	-36.6	177.5	-57.3	0	0	0	0	112.5	T1040 Q1146 N1152 S1153 I1154	T1040-T1150 HydrophobicContact CG2-CG2 3.77Å; Q1146-T1150 PolarHBondContact O-N 3.02Å; Q1146-T1150 PolarHBondContact O-OG1 2.86Å; T1150-N1152 VanDerWaalsContact C-N 3.26Å; T1150-N1152 PolarHBondContact O-N 3.41Å; T1150-S1153 WeakPolarHBondContact CA-OG 3.49Å; T1150-S1153 PolarHBondContact O-N 3.09Å; T1150-S1153 PolarHBondContact O-OG 2.96Å; T1150-I1154 HydrophobicContact CG2-CD1 4.04Å; T1150-I1154 WeakPolarHBondContact O-CD1 3.32Å; T1150-I1154 VanDerWaalsContact O-CG1 3.3Å; T1150-I1154 WeakPolarHBondContact O-CG1 3.48Å; T1150-I1154 PolarHBondContact O-N 2.95Å
1151	M	84.8	Confident	84.8	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-66.7	-25.7	172.3	-99.8	172.8	-79.8	0	0	113.6	V1029 N1031 I1036 L1037 T1040 L1147 V1148	V1029-M1151 HydrophobicContact CB-CE 4.44Å; V1029-M1151 HydrophobicContact CG1-CE 3.5Å; V1029-M1151 VanDerWaalsContact CG1-CE 3.5Å; V1029-M1151 HydrophobicContact CG1-SD 4.26Å; N1031-M1151 HydrophobicContact CB-SD 3.81Å; N1031-M1151 PolarHBondContact ND2-SD 3.05Å; I1036-M1151 HydrophobicContact CG2-CG 3.88Å; L1037-M1151 HydrophobicContact CD1-CE 3.72Å; L1037-M1151 HydrophobicContact CD1-SD 3.8Å; T1040-M1151 HydrophobicContact CG2-CE 3.98Å; T1040-M1151 HydrophobicContact CG2-CG 4.06Å; L1147-M1151 HydrophobicContact CB-CE 4.03Å; L1147-M1151 HydrophobicContact CD2-CE 4.25Å; L1147-M1151 WeakPolarHBondContact O-CB 3.19Å; L1147-M1151 WeakPolarHBondContact O-CE 3.26Å; L1147-M1151 PolarHBondContact O-N 2.84Å; V1148-M1151 PolarHBondContact O-N 3.12Å
1152	N	81.1	Confident	84.8	Confident	86 Å²	86	62.6 Å²	62.6	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-83.5	-21	174.4	-74.9	-18.8	0	0	0	113	V1148 Q1149 T1150 I1154 K1155	V1148-N1152 WeakPolarHBondContact O-CB 3.11Å; V1148-N1152 PolarHBondContact O-N 3.03Å; V1148-N1152 PolarHBondContact O-ND2 3.12Å; Q1149-N1152 PolarHBondContact O-N 2.88Å; T1150-N1152 VanDerWaalsContact C-N 3.26Å; T1150-N1152 PolarHBondContact O-N 3.41Å; N1152-I1154 VanDerWaalsContact C-N 3.32Å; N1152-K1155 PolarHBondContact OD1-NZ 3.35Å; N1152-K1155 VanDerWaalsContact OD1-NZ 3.11Å
1153	S	81.3	Confident	84.5	Confident	88 Å²	88	62.5 Å²	62.5	62%	0.615	34%	0.34	S	S	*	.	S	Bend	trans	-87.7	3.4	170	63.3	0	0	0	0	114.2	Q1149 T1150	Q1149-S1153 PolarHBondContact O-N 2.91Å; Q1149-S1153 VanDerWaalsContact O-N 3.08Å; T1150-S1153 WeakPolarHBondContact CA-OG 3.49Å; T1150-S1153 PolarHBondContact O-N 3.09Å; T1150-S1153 PolarHBondContact O-OG 2.96Å
1154	I	77.7	Confident	84	Confident	75 Å²	75	67.3 Å²	67.3	39%	0.385	37%	0.366	S	S	.	.			trans	-104	-2.1	172.6	-68.4	165.3	0	0	0	110.6	I1036 T1150 N1152	I1036-I1154 HydrophobicContact CD1-CG2 4.22Å; I1036-I1154 HydrophobicContact CG1-CG2 4.42Å; I1036-I1154 HydrophobicContact CG2-CG2 4.05Å; T1150-I1154 HydrophobicContact CG2-CD1 4.04Å; T1150-I1154 WeakPolarHBondContact O-CD1 3.32Å; T1150-I1154 VanDerWaalsContact O-CG1 3.3Å; T1150-I1154 WeakPolarHBondContact O-CG1 3.48Å; T1150-I1154 PolarHBondContact O-N 2.95Å; N1152-I1154 VanDerWaalsContact C-N 3.32Å
1155	K	63	Low	83.5	Confident	206 Å²	206	70.7 Å²	70.7	90%	0.896	38%	0.383	S	S	*	.			trans	-101.8	0	171.1	-67.1	173.5	-174.5	161.3	0	110	N1152	N1152-K1155 PolarHBondContact OD1-NZ 3.35Å; N1152-K1155 VanDerWaalsContact OD1-NZ 3.11Å

Retrieved 1,155 of 1,155 residues in 1354.2 ms (Link to these results)

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