A0A087Y7I5_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087Y7I5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 861 aa.

						>A0A087Y7I5_POEFO|A0A087Y7I5
MKEENLLQRRLSLCPSATSPPKIDPRTLTRNLSYGGDNDIYNFSPGSETDRNALSMLSSELSPAQSPDSKSESRMFNGVEKDSPSPTEKLARKESLKVQKQNYRQEKKRAAKELSTALKDPSVVVMSNWLKIRGSLKSWTKLWCALRPGVLLIYKTPTPDHWVGTILLSACKLIERPSKKDGFCFKLYHPLEKSIWAVKGPKGENVGSITQPLPSNYLIFRAASESDGRCWMDALELALSSSSLYKMSPRPEKEGDICMASDSSHILQLLQSSPLTATELQQLNHMEHDGSSDKSEREAHDDWETMGNENGGRLTEESDIEPSEEMPPGPQATAYVEQSTEDMAEVGEASQVETVSEENKGLIWGLLKQLRPGMDLSKVVLPTFILEPRSFLDKLSDYYYHADLLSQASLEESAYGRIKQVLRWYLSGFYKKPKGLKKPYNPILGETFRCCWLHPQTDSCTFYIAEQVSHHPPISAFYVCNRKDGFCISGSILARSKFYGNSLSAILDGQARLRFLSRDEEYAITMPYAHCKGFLYGTMTLELGGKVIIQCEKTKCFAELEFKLKPFLGGTSSVNQISGKIVIEDELLATIDGHWDKEVFIQEKRSSQQETLWNPTKEIRSRRLKRQVVQLDQQGEFESERLWQHVTRAIRDRDQVRATQEKFVLEEAQRTEAKERGQRPWIPKLFQEDPDTSEWTYKHLDTRPWDPEACLVQFEKDGVIQTQEKMQRQHNGLTYNNSWTRQHKAEVNGNHRKSSSQPSTCSQNTESSSTTPEPSHESSDNEGFSNQCARCSKEAKDIALIQTSITSIQKTQQDIQRNLAALGGQLSRQRHTDDSMSLTGRHCLILCVLLLSQLLLNYVFT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	28.3	Very low	235 Å²	235	166.6 Å²	166.6	100%	1.158	78%	0.779	S	S	*	*				0	95.7	0	-67.2	173	-87.8	0	0	105
2	K	29.1	Very low	27.8	Very low	161 Å²	161	161.5 Å²	161.5	70%	0.7	78%	0.775	S	S	*	*				68.7	100.3	86.8	-75	-159	161.2	-75.2	0	109.7
3	E	30.7	Very low	27.5	Very low	140 Å²	140	161.5 Å²	161.5	65%	0.654	78%	0.78	S	S	*	*				81.9	139.4	89.7	-75.2	156.7	-158.4	0	0	110.1
4	E	30.8	Very low	27.3	Very low	158 Å²	158	158.5 Å²	158.5	74%	0.738	78%	0.783	S	S	*	*			cis	-153.3	167.8	5.9	-126.6	-171.1	-133.8	0	0	108.7
5	N	28.1	Very low	28	Very low	120 Å²	120	155.6 Å²	155.6	64%	0.642	78%	0.78	S	S	*	*			cis	-139.6	-137.4	-0	-160.9	-40.5	0	0	0	109.4
6	L	27.9	Very low	27.8	Very low	154 Å²	154	152.4 Å²	152.4	81%	0.806	78%	0.777	S	S	*	*			trans	-141.1	166.7	-162.5	-85.4	154.6	0	0	0	114.8
7	L	31.3	Very low	27.7	Very low	159 Å²	159	149.4 Å²	149.4	83%	0.832	78%	0.78	S	S	*	*			trans	-72.4	154.7	163.2	-58.2	115.7	0	0	0	112
8	Q	25.2	Very low	27.6	Very low	176 Å²	176	149 Å²	149	82%	0.822	79%	0.786	S	S	*	*			trans	176.4	161.6	142.9	-99.3	-177.6	52	0	0	110
9	R	27.1	Very low	27.7	Very low	183 Å²	183	146.5 Å²	146.5	69%	0.691	78%	0.781	S	S	*	*			cis	-174.8	143	-35.8	-121.6	-169.6	-179.8	173.4	-0.9	108.5
10	R	26.7	Very low	27.8	Very low	200 Å²	200	145.2 Å²	145.2	76%	0.755	78%	0.781	S	S	*	*			trans	62.6	174	150.4	-68.6	-176.8	170.9	-170.7	-4.7	117.2
11	L	23.9	Very low	28.1	Very low	147 Å²	147	144 Å²	144	77%	0.77	78%	0.782	S	S	*	*			cis	-163.5	159.9	-43.1	-104.9	173	0	0	0	109.4
12	S	22.4	Very low	28	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	77%	0.768	S	S	*	*			trans	88.5	162.4	145.4	-146.8	0	0	0	0	121.7
13	L	23.8	Very low	28	Very low	161 Å²	161	142.7 Å²	142.7	84%	0.843	78%	0.776	S	S	*	*			trans	83.2	96.4	163.5	-54.2	-175.8	0	0	0	120.7
14	C	25.4	Very low	27.9	Very low	120 Å²	120	143 Å²	143	81%	0.811	78%	0.782	S	S	*	*			trans	-64.3	169.7	140.3	-76.6	0	0	0	0	110.8
15	P	37.7	Very low	28.6	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	78%	0.777	S	S	*	*			cis	-155.9	-162.9	46.6	44.7	-21.4	0	0	0	119.1
16	S	24.3	Very low	28.6	Very low	104 Å²	104	145.2 Å²	145.2	73%	0.727	79%	0.787	S	S	*	*			trans	78	87	155.5	47.1	0	0	0	0	121.3
17	A	27.1	Very low	28.7	Very low	101 Å²	101	144 Å²	144	84%	0.835	79%	0.786	S	S	*	*				23.4	131.3	124.2	0	0	0	0	0	122.4
18	T	26	Very low	28.4	Very low	143 Å²	143	143.6 Å²	143.6	88%	0.877	78%	0.784	S	S	*	*			trans	-146.9	163	139.3	-13.3	0	0	0	0	110.9
19	S	28.1	Very low	28.5	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-74.4	152	-169.3	47.2	0	0	0	0	115.9
20	P	30.8	Very low	28.6	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.3	136.7	163.8	32.7	-32.6	0	0	0	110.9
21	P	32.7	Very low	28.6	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.1	138	175.8	31.4	-33.2	0	0	0	112.3
22	K	29.3	Very low	28.8	Very low	201 Å²	201	139.3 Å²	139.3	87%	0.874	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.3	153.1	160.9	-59.4	-178.4	177.6	-174.1	0	110
23	I	29.5	Very low	29	Very low	168 Å²	168	139.4 Å²	139.4	86%	0.862	79%	0.785	S	S	*	*			trans	-156.4	135.7	146.4	-99.1	141.5	0	0	0	108
24	D	27.6	Very low	29.2	Very low	147 Å²	147	143 Å²	143	79%	0.786	79%	0.789	S	S	*	*			trans	-114.3	-179.2	176.5	-143.9	12.1	0	0	0	108
25	P	45.6	Very low	29.2	Very low	96 Å²	96	140.8 Å²	140.8	62%	0.623	79%	0.787	S	S	*	*			trans	-116.3	-177.6	-133.4	25.1	-0.9	0	0	0	114.7
26	R	29	Very low	28.8	Very low	227 Å²	227	138.7 Å²	138.7	86%	0.857	79%	0.787	S	S	*	*			trans	95.7	148.3	159.9	-54.8	177.9	173	170.8	-0.4	118.5
27	T	28.7	Very low	29.1	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	79%	0.791	S	S	*	*			trans	87.7	137.4	146.6	19	0	0	0	0	122.5
28	L	26.4	Very low	29.3	Very low	151 Å²	151	142.6 Å²	142.6	79%	0.791	79%	0.785	S	S	*	*			trans	80	85.1	152.4	-65.8	167.2	0	0	0	121
29	T	26.3	Very low	29.5	Very low	127 Å²	127	142.6 Å²	142.6	78%	0.779	78%	0.78	S	S	*	*				13.3	140.3	117.8	-8.2	0	0	0	0	121.3
30	R	29.5	Very low	29.5	Very low	211 Å²	211	144.2 Å²	144.2	80%	0.796	78%	0.779	S	S	*	*			trans	94.5	118.5	137.2	-159	-178.7	-164.1	175.5	4.5	119.4
31	N	26.9	Very low	29.5	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	78%	0.78	S	S	*	*			trans	-159.8	165.2	148.7	-92.9	-37.3	0	0	0	109
32	L	28.3	Very low	29.2	Very low	122 Å²	122	148.1 Å²	148.1	64%	0.639	77%	0.773	S	S	*	*				-172.4	122	-66.6	-112.9	171.5	0	0	0	110.2
33	S	25.4	Very low	29.1	Very low	108 Å²	108	147.6 Å²	147.6	76%	0.755	77%	0.771	S	S	*	*			trans	-166.1	110.6	163.2	35.3	0	0	0	0	108.8
34	Y	27.9	Very low	29.1	Very low	235 Å²	235	144.7 Å²	144.7	92%	0.922	77%	0.766	S	S	*	*				64.2	122.7	85.8	-86.4	-80.2	0	0	0	114.3
35	G	26.7	Very low	29.9	Very low	75 Å²	75	143.8 Å²	143.8	77%	0.773	77%	0.768	S	S	*	*			cis	160.4	144.7	-11.1	0	0	0	0	0	114.3
36	G	28.5	Very low	29	Very low	71 Å²	71	142 Å²	142	73%	0.732	77%	0.768	S	S	*	*			trans	77.7	155.9	171	0	0	0	0	0	117.3
37	D	31.4	Very low	29	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	76%	0.764	S	S	*	*			cis	-160.2	-175.8	-13.1	-112.1	-52.1	0	0	0	112.1
38	N	31.9	Very low	28.9	Very low	131 Å²	131	139 Å²	139	70%	0.701	77%	0.766	S	S	*	*			trans	-90	161.1	-163.6	-50.7	-83.8	0	0	0	116.7
39	D	28.2	Very low	29.1	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	76%	0.762	S	S	*	*				169.5	141.4	105.8	-99.1	-22.3	0	0	0	119.2
40	I	30	Very low	29.3	Very low	135 Å²	135	136.7 Å²	136.7	69%	0.692	76%	0.755	S	S	*	*			trans	51.2	115.6	136.1	-67.2	171.6	0	0	0	123.9
41	Y	29.4	Very low	29.3	Very low	204 Å²	204	136 Å²	136	80%	0.8	75%	0.752	S	S	*	*			trans	52	129.8	142	-82.4	-102.1	0	0	0	124.3
42	N	26.5	Very low	29.4	Very low	120 Å²	120	135.1 Å²	135.1	64%	0.642	75%	0.747	S	S	*	*				135.9	146.3	103.9	-121.1	-18.2	0	0	0	120.2
43	F	27.4	Very low	29.4	Very low	189 Å²	189	133.5 Å²	133.5	83%	0.829	75%	0.751	S	S	*	*			trans	64.2	144.3	161.2	-78	-71.9	0	0	0	124.4
44	S	29.2	Very low	29.5	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	76%	0.758	S	S	*	*			trans	-105.6	-170.5	174.2	-132.3	0	0	0	0	109.3
45	P	44.9	Very low	29.4	Very low	127 Å²	127	130.1 Å²	130.1	83%	0.825	75%	0.748	S	S	*	*			cis	-144.3	-175.8	25.5	44.3	-24.5	0	0	0	117.6
46	G	26.3	Very low	29.4	Very low	60 Å²	60	133.7 Å²	133.7	62%	0.619	75%	0.746	S	S	*	*			trans	144.8	124	146.2	0	0	0	0	0	118.3
47	S	29.1	Very low	29.4	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	75%	0.747	S	S	*	*			trans	58.4	127.2	170.2	47.7	0	0	0	0	117.7
48	E	27.5	Very low	29.1	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	74%	0.742	S	S	*	*			cis	73.6	130.8	43.3	-59.4	-174.2	148.7	0	0	113.4
49	T	30.2	Very low	28.8	Very low	115 Å²	115	133.1 Å²	133.1	71%	0.706	74%	0.742	S	S	*	*			cis	-160.6	164.6	0.2	3.3	0	0	0	0	112.1
50	D	29.5	Very low	28.8	Very low	115 Å²	115	135.1 Å²	135.1	62%	0.615	75%	0.746	S	S	*	*			trans	14.6	150.8	133.8	-74.2	11.3	0	0	0	120.7
51	R	30.2	Very low	28.6	Very low	195 Å²	195	136.4 Å²	136.4	74%	0.736	75%	0.754	S	S	*	*			cis	-170.1	161.9	5.2	-119.2	176.2	-148.7	-169.8	13	112.7
52	N	28.5	Very low	28.7	Very low	138 Å²	138	132 Å²	132	74%	0.738	75%	0.753	S	S	*	*			trans	41.8	147	139.4	-61.4	-7	0	0	0	125.2
53	A	27.9	Very low	29.3	Very low	88 Å²	88	131.9 Å²	131.9	73%	0.727	76%	0.759	S	S	*	*			trans	92	115.4	140.2	0	0	0	0	0	121.7
54	L	28.2	Very low	29.2	Very low	170 Å²	170	126.8 Å²	126.8	89%	0.89	75%	0.752	S	S	*	*				31.1	128.8	120	-57.4	170.4	0	0	0	117.2
55	S	26.3	Very low	29.1	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	76%	0.757	S	S	*	*			cis	-179	178.8	43.2	66.6	0	0	0	0	113.7
56	M	27.3	Very low	28.4	Very low	150 Å²	150	130.2 Å²	130.2	74%	0.739	76%	0.758	S	S	*	*			trans	60	115.3	147.1	-66.6	-88.4	87	0	0	122.4
57	L	27.5	Very low	28.9	Very low	144 Å²	144	132.7 Å²	132.7	75%	0.754	76%	0.763	S	S	*	*			trans	67.2	132.9	130.4	-77.1	169.3	0	0	0	123.8
58	S	26.2	Very low	28.8	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	76%	0.764	S	S	*	*			trans	105.2	123.6	132.3	71.4	0	0	0	0	121.6
59	S	25	Very low	28.9	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	76%	0.757	S	S	*	*			trans	52.6	105.3	143.6	53.9	0	0	0	0	122.9
60	E	27.2	Very low	28.8	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	76%	0.763	S	S	*	*				73.5	165.1	124.2	-60.9	-153.6	131.3	0	0	122.5
61	L	26.1	Very low	28.9	Very low	161 Å²	161	133.8 Å²	133.8	84%	0.843	77%	0.769	S	S	*	*			trans	72.8	88.5	166.5	-68.8	160.6	0	0	0	118.7
62	S	32.3	Very low	28.9	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	76%	0.763	S	S	*	*			trans	-46.8	155	145.1	-30.6	0	0	0	0	111.7
63	P	38.7	Very low	29	Very low	118 Å²	118	129.6 Å²	129.6	77%	0.766	77%	0.765	S	S	*	*				-149.2	167.4	80	41.4	-24.8	0	0	0	116.7
64	A	26.2	Very low	29.4	Very low	82 Å²	82	134 Å²	134	68%	0.678	76%	0.763	S	S	*	*			trans	32.2	149.9	136.1	0	0	0	0	0	122.3
65	Q	25.9	Very low	29.6	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	76%	0.758	S	S	*	*			cis	-173.1	146.7	-9.1	-109.1	170.2	6.8	0	0	107.3
66	S	29.5	Very low	30	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	76%	0.763	S	S	*	*			trans	-168	153	139.5	11.7	0	0	0	0	110.8
67	P	37.3	Very low	30.4	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	77%	0.766	S	S	*	*			trans	-127.4	-178.2	-155.9	41.6	-25.2	0	0	0	115.3
68	D	26.7	Very low	30.6	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	76%	0.763	S	S	*	*			trans	24.6	143.1	142.3	-64.5	-28.3	0	0	0	121.4
69	S	29.3	Very low	31.1	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	77%	0.768	S	S	*	*				176.3	164.7	99	50	0	0	0	0	116
70	K	28.1	Very low	31.7	Very low	190 Å²	190	138.5 Å²	138.5	83%	0.826	77%	0.771	S	S	*	*			trans	89.4	143	160.3	-57.7	173.2	-173.1	174.9	0	117.3
71	S	33	Very low	32.4	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	76%	0.764	S	S	*	*			cis	-174.7	167	-15.1	49.4	0	0	0	0	108.9
72	E	30.4	Very low	32.9	Very low	133 Å²	133	136 Å²	136	62%	0.621	76%	0.757	S	S	*	*			cis	-122.1	-144.4	2	-122.2	-136.8	-174.1	0	0	108.3	R74	E72-R74 IonicContact OE1-CZ 2.8Å; E72-R74 IonicContact OE1-NE 3.82Å; E72-R74 PolarHBondContact OE1-NE 2.93Å; E72-R74 IonicContact OE1-NH2 2.82Å; E72-R74 PolarHBondContact OE1-NH2 2.83Å; E72-R74 WeakPolarHBondContact OE2-CG 3.26Å; E72-R74 IonicContact OE2-NE 3.33Å; E72-R74 PolarHBondContact OE2-NE 2.95Å
73	S	29.5	Very low	33.3	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	76%	0.756	S	S	*	*			cis	-142.2	174.2	9.4	62.9	0	0	0	0	113.8
74	R	37.4	Very low	33.5	Very low	182 Å²	182	134.7 Å²	134.7	69%	0.687	75%	0.748	S	S	*	*			trans	-95.3	178.7	-159.8	-50.7	172.7	-175.5	171.2	2	113.4	E72	E72-R74 IonicContact OE1-CZ 2.8Å; E72-R74 IonicContact OE1-NE 3.82Å; E72-R74 PolarHBondContact OE1-NE 2.93Å; E72-R74 IonicContact OE1-NH2 2.82Å; E72-R74 PolarHBondContact OE1-NH2 2.83Å; E72-R74 WeakPolarHBondContact OE2-CG 3.26Å; E72-R74 IonicContact OE2-NE 3.33Å; E72-R74 PolarHBondContact OE2-NE 2.95Å
75	M	32.2	Very low	34.6	Very low	159 Å²	159	134.3 Å²	134.3	78%	0.783	74%	0.74	S	S	*	*			cis	-156.1	153.2	25.4	-70	-174.2	173.5	0	0	114.6
76	F	34.5	Very low	35.8	Very low	187 Å²	187	129.9 Å²	129.9	82%	0.82	73%	0.728	S	S	*	*			trans	35.2	156.5	142.9	-73.5	-83.6	0	0	0	123.4
77	N	34.6	Very low	36.9	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	72%	0.72	S	S	*	*			cis	-150.9	179.9	19.3	-145.7	-20.5	0	0	0	114.4
78	G	33.6	Very low	37.5	Very low	66 Å²	66	128.3 Å²	128.3	68%	0.68	71%	0.705	S	S	*	*			trans	-74.8	-161.7	-169	0	0	0	0	0	119.6
79	V	35.8	Very low	38.7	Very low	136 Å²	136	127.8 Å²	127.8	82%	0.824	70%	0.696	S	S	*	*			cis	-165.3	162.3	7.8	106.2	0	0	0	0	112.8
80	E	37	Very low	39.7	Very low	164 Å²	164	128.9 Å²	128.9	77%	0.766	69%	0.693	S	S	*	*			trans	64.9	131.6	163.4	-86.7	-178.2	-176.7	0	0	123
81	K	43.2	Very low	40.8	Very low	162 Å²	162	122.9 Å²	122.9	70%	0.704	68%	0.679	S	S	*	*				67.4	150.6	97.2	-89.2	-176.5	147.4	-153.1	0	116.9
82	D	36.3	Very low	41.9	Very low	130 Å²	130	125.5 Å²	125.5	70%	0.695	67%	0.673	S	S	*	*			cis	-142.7	-173.7	9.4	-107.7	-41.6	0	0	0	111.1
83	S	40.3	Very low	43.1	Very low	109 Å²	109	126 Å²	126	76%	0.762	67%	0.673	S	S	*	*			trans	-126.7	134.5	-173.3	68	0	0	0	0	117.5
84	P	43.1	Very low	44.3	Very low	94 Å²	94	127.2 Å²	127.2	61%	0.61	67%	0.666	S	S	*	*			trans	-98	175.9	177.1	37.5	-35.1	0	0	0	116.3
85	S	48.7	Very low	45.2	Very low	74 Å²	74	121.7 Å²	121.7	52%	0.517	66%	0.656	S	S	.	*			trans	-92.2	179.8	-156.7	82.7	0	0	0	0	115.5
86	P	52.4	Low	46.3	Very low	93 Å²	93	118.2 Å²	118.2	60%	0.604	64%	0.64	S	S	*	*	S	Bend	trans	-79.4	-20.6	-163.4	31.3	-34.6	0	0	0	115.4	E88 K89	P86-E88 VanDerWaalsContact C-N 3.34Å; P86-E88 PolarHBondContact O-N 2.72Å; P86-K89 WeakPolarHBondContact O-CB 3.2Å; P86-K89 PolarHBondContact O-N 2.86Å
87	T	50.9	Low	47.8	Very low	112 Å²	112	116.3 Å²	116.3	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-65.7	-35.4	-172.5	-33	0	0	0	0	112.6	K89 L90	T87-K89 PolarHBondContact O-N 3.32Å; T87-L90 PolarHBondContact O-N 3.42Å
88	E	50	Low	49.3	Very low	87 Å²	87	113 Å²	113	41%	0.407	62%	0.616	S	S	.	*	H	α-helix	trans	-60	-30	172	-69.7	-160.3	124.7	0	0	113	P86 L90 A91 R92	P86-E88 VanDerWaalsContact C-N 3.34Å; P86-E88 PolarHBondContact O-N 2.72Å; E88-L90 VanDerWaalsContact C-N 3.28Å; E88-L90 PolarHBondContact O-N 3.11Å; E88-A91 PolarHBondContact O-N 3.02Å; E88-R92 WeakPolarHBondContact O-CB 3.17Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 IonicContact OE1-NH1 3.69Å; E88-R92 PolarHBondContact OE1-NH1 3.14Å; E88-R92 IonicContact OE2-CZ 2.67Å; E88-R92 IonicContact OE2-NH1 3.61Å; E88-R92 PolarHBondContact OE2-NH1 3.07Å
89	K	51.6	Low	50.3	Low	139 Å²	139	115.6 Å²	115.6	60%	0.604	61%	0.611	S	S	*	*	H	α-helix	trans	-73.5	-20	-170.4	-59.3	-177.4	-178.3	174.6	0	112.5	P86 T87 K93	P86-K89 WeakPolarHBondContact O-CB 3.2Å; P86-K89 PolarHBondContact O-N 2.86Å; T87-K89 PolarHBondContact O-N 3.32Å; K89-K93 WeakPolarHBondContact O-CB 3.16Å; K89-K93 PolarHBondContact O-N 3.27Å
90	L	51.5	Low	51.4	Low	123 Å²	123	115 Å²	115	64%	0.644	60%	0.597	S	S	*	*	H	α-helix	trans	-79.2	-53.9	170.5	-78.4	164.3	0	0	0	110.9	T87 E88 R92 K93 E94	T87-L90 PolarHBondContact O-N 3.42Å; E88-L90 VanDerWaalsContact C-N 3.28Å; E88-L90 PolarHBondContact O-N 3.11Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 2.87Å; L90-K93 WeakPolarHBondContact O-CA 3.23Å; L90-K93 PolarHBondContact O-N 2.73Å; L90-E94 PolarHBondContact O-N 3.21Å
91	A	52	Low	52.5	Low	64 Å²	64	112.9 Å²	112.9	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-56.4	-44.2	178.5	0	0	0	0	0	112.8	E88 K93 S95	E88-A91 PolarHBondContact O-N 3.02Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 2.71Å; A91-S95 VanDerWaalsContact O-CB 3.25Å; A91-S95 WeakPolarHBondContact O-CB 3.46Å; A91-S95 PolarHBondContact O-N 2.72Å
92	R	55.1	Low	53.4	Low	161 Å²	161	109 Å²	109	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-62.9	-34.6	173	-83	-173.9	168	117.3	-2.1	113	E88 L90 L96	E88-R92 WeakPolarHBondContact O-CB 3.17Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 IonicContact OE1-NH1 3.69Å; E88-R92 PolarHBondContact OE1-NH1 3.14Å; E88-R92 IonicContact OE2-CZ 2.67Å; E88-R92 IonicContact OE2-NH1 3.61Å; E88-R92 PolarHBondContact OE2-NH1 3.07Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 2.87Å; R92-L96 VanDerWaalsContact O-CB 3.25Å; R92-L96 WeakPolarHBondContact O-CB 3.42Å; R92-L96 PolarHBondContact O-N 3.08Å
93	K	56	Low	54.3	Low	143 Å²	143	110.3 Å²	110.3	62%	0.622	57%	0.57	S	S	*	*	H	α-helix	trans	-78.6	-30.4	-176.4	-170.8	174.7	-173.6	179.6	0	112.6	K89 L90 A91 K97	K89-K93 WeakPolarHBondContact O-CB 3.16Å; K89-K93 PolarHBondContact O-N 3.27Å; L90-K93 WeakPolarHBondContact O-CA 3.23Å; L90-K93 PolarHBondContact O-N 2.73Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 2.71Å; K93-K97 WeakPolarHBondContact O-CG 3.29Å; K93-K97 PolarHBondContact O-N 3.42Å
94	E	53.9	Low	55	Low	136 Å²	136	114.4 Å²	114.4	64%	0.636	57%	0.569	S	S	*	*	H	α-helix	trans	-74.3	-45.9	168.4	-65.3	-167.1	127.9	0	0	111.3	L90 L96 K97 V98	L90-E94 PolarHBondContact O-N 3.21Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 2.92Å; E94-K97 WeakPolarHBondContact O-CA 3.38Å; E94-K97 WeakPolarHBondContact O-CB 3.43Å; E94-K97 PolarHBondContact O-N 2.95Å; E94-V98 WeakPolarHBondContact O-CG2 3.27Å; E94-V98 PolarHBondContact O-N 3.28Å
95	S	55.9	Low	55.4	Low	67 Å²	67	115.6 Å²	115.6	47%	0.469	57%	0.567	S	S	.	*	H	α-helix	trans	-54.2	-45.6	172.8	-178.9	0	0	0	0	112.2	A91 K97 V98 Q99	A91-S95 VanDerWaalsContact O-CB 3.25Å; A91-S95 WeakPolarHBondContact O-CB 3.46Å; A91-S95 PolarHBondContact O-N 2.72Å; S95-K97 PolarHBondContact O-N 3.45Å; S95-V98 PolarHBondContact O-N 2.81Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.42Å
96	L	56.4	Low	55.7	Low	86 Å²	86	117.5 Å²	117.5	45%	0.45	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-28.9	177	-159.7	80.7	0	0	0	113.2	R92 E94 K100	R92-L96 VanDerWaalsContact O-CB 3.25Å; R92-L96 WeakPolarHBondContact O-CB 3.42Å; R92-L96 PolarHBondContact O-N 3.08Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 2.92Å; L96-K100 HydrophobicContact CG-CD 4.48Å; L96-K100 WeakPolarHBondContact O-CB 2.96Å; L96-K100 VanDerWaalsContact O-CG 3.25Å; L96-K100 WeakPolarHBondContact O-CG 3.15Å; L96-K100 PolarHBondContact O-N 2.78Å
97	K	65	Low	55.5	Low	147 Å²	147	119.6 Å²	119.6	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-48.2	170.5	-88.6	-177	172.9	-175.7	0	110.7	K93 E94 S95 K100 Q101	K93-K97 WeakPolarHBondContact O-CG 3.29Å; K93-K97 PolarHBondContact O-N 3.42Å; E94-K97 WeakPolarHBondContact O-CA 3.38Å; E94-K97 WeakPolarHBondContact O-CB 3.43Å; E94-K97 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact O-N 3.45Å; K97-K100 CarbonylContact O-C 3.6Å; K97-K100 PolarHBondContact O-N 2.88Å; K97-Q101 WeakPolarHBondContact O-CB 3.4Å; K97-Q101 PolarHBondContact O-N 2.83Å
98	V	67.2	Low	55.5	Low	80 Å²	80	122.1 Å²	122.1	49%	0.485	57%	0.568	S	S	.	*	H	α-helix	trans	-62.7	-44.3	178.4	175.1	0	0	0	0	110.5	E94 S95 K100 Q101 N102	E94-V98 WeakPolarHBondContact O-CG2 3.27Å; E94-V98 PolarHBondContact O-N 3.28Å; S95-V98 PolarHBondContact O-N 2.81Å; V98-K100 PolarHBondContact O-N 3.23Å; V98-Q101 PolarHBondContact O-N 2.86Å; V98-Q101 VanDerWaalsContact O-N 3.17Å; V98-N102 WeakPolarHBondContact O-CB 3.29Å; V98-N102 VanDerWaalsContact O-CG 3.31Å; V98-N102 PolarHBondContact O-N 3.34Å; V98-N102 PolarHBondContact O-OD1 2.95Å
99	Q	53.3	Low	55.6	Low	120 Å²	120	125.7 Å²	125.7	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-58.2	-45.3	171.9	-79.3	-173.9	-27.8	0	0	112.4	S95 Q101 N102 Y103	S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.42Å; Q99-Q101 VanDerWaalsContact C-N 3.29Å; Q99-Q101 PolarHBondContact O-N 3.37Å; Q99-N102 PolarHBondContact O-N 2.75Å; Q99-Y103 WeakPolarHBondContact O-CB 3.47Å; Q99-Y103 PolarHBondContact O-N 3.09Å
100	K	59.6	Low	55.5	Low	125 Å²	125	121.6 Å²	121.6	54%	0.543	57%	0.57	S	S	.	*	H	α-helix	trans	-68.2	-27.5	177.3	-75.1	174.8	180	-178.5	0	113	L96 K97 V98 R104	L96-K100 HydrophobicContact CG-CD 4.48Å; L96-K100 WeakPolarHBondContact O-CB 2.96Å; L96-K100 VanDerWaalsContact O-CG 3.25Å; L96-K100 WeakPolarHBondContact O-CG 3.15Å; L96-K100 PolarHBondContact O-N 2.78Å; K97-K100 CarbonylContact O-C 3.6Å; K97-K100 PolarHBondContact O-N 2.88Å; V98-K100 PolarHBondContact O-N 3.23Å; K100-R104 WeakPolarHBondContact O-CB 3.38Å; K100-R104 WeakPolarHBondContact O-CD 3.38Å; K100-R104 WeakPolarHBondContact O-CG 3.18Å; K100-R104 PolarHBondContact O-N 2.91Å
101	Q	61.2	Low	55.3	Low	119 Å²	119	118.4 Å²	118.4	56%	0.556	56%	0.561	S	S	*	*	H	α-helix	trans	-77.2	-45.1	174.7	-177.1	164.6	-24.6	0	0	111.5	K97 V98 Q99 R104 Q105	K97-Q101 WeakPolarHBondContact O-CB 3.4Å; K97-Q101 PolarHBondContact O-N 2.83Å; V98-Q101 PolarHBondContact O-N 2.86Å; V98-Q101 VanDerWaalsContact O-N 3.17Å; Q99-Q101 VanDerWaalsContact C-N 3.29Å; Q99-Q101 PolarHBondContact O-N 3.37Å; Q101-R104 PolarHBondContact O-N 3.24Å; Q101-Q105 WeakPolarHBondContact O-CG 3.45Å; Q101-Q105 PolarHBondContact O-N 3.14Å
102	N	61.3	Low	55.2	Low	80 Å²	80	122.8 Å²	122.8	43%	0.428	57%	0.569	S	S	.	*	H	α-helix	trans	-60.8	-49.9	173.5	-71.3	5.1	0	0	0	110.3	V98 Q99 R104 Q105 E106	V98-N102 WeakPolarHBondContact O-CB 3.29Å; V98-N102 VanDerWaalsContact O-CG 3.31Å; V98-N102 PolarHBondContact O-N 3.34Å; V98-N102 PolarHBondContact O-OD1 2.95Å; Q99-N102 PolarHBondContact O-N 2.75Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 3.5Å; N102-Q105 CarbonylContact O-C 3.48Å; N102-Q105 WeakPolarHBondContact O-CA 3.42Å; N102-Q105 PolarHBondContact O-N 3.38Å; N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 WeakPolarHBondContact O-CG 3.42Å; N102-E106 PolarHBondContact O-N 2.87Å
103	Y	54.9	Low	55	Low	158 Å²	158	120.4 Å²	120.4	62%	0.62	57%	0.565	S	S	*	*	H	α-helix	trans	-59	-34.7	175.7	-179.5	-101.7	0	0	0	113	Q99 K107	Q99-Y103 WeakPolarHBondContact O-CB 3.47Å; Q99-Y103 PolarHBondContact O-N 3.09Å; Y103-K107 VanDerWaalsContact O-CB 3.27Å; Y103-K107 WeakPolarHBondContact O-CB 3.39Å; Y103-K107 PolarHBondContact O-N 2.84Å
104	R	54.1	Low	54.8	Low	195 Å²	195	116.6 Å²	116.6	74%	0.736	55%	0.551	S	S	*	*	H	α-helix	trans	-70.5	-37.8	172	-79.2	171.6	175.2	-166.4	-3	112.4	K100 Q101 N102 K108	K100-R104 WeakPolarHBondContact O-CB 3.38Å; K100-R104 WeakPolarHBondContact O-CD 3.38Å; K100-R104 WeakPolarHBondContact O-CG 3.18Å; K100-R104 PolarHBondContact O-N 2.91Å; Q101-R104 PolarHBondContact O-N 3.24Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 3.5Å; R104-K108 VanDerWaalsContact O-CB 3.25Å; R104-K108 WeakPolarHBondContact O-CB 3.27Å; R104-K108 PolarHBondContact O-N 3.27Å
105	Q	53.4	Low	54.8	Low	119 Å²	119	113.3 Å²	113.3	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-70.5	-38	174.8	-76.4	-175.3	-18.1	0	0	112	Q101 N102 K108 R109	Q101-Q105 WeakPolarHBondContact O-CG 3.45Å; Q101-Q105 PolarHBondContact O-N 3.14Å; N102-Q105 CarbonylContact O-C 3.48Å; N102-Q105 WeakPolarHBondContact O-CA 3.42Å; N102-Q105 PolarHBondContact O-N 3.38Å; Q105-K108 CarbonylContact O-C 3.55Å; Q105-K108 PolarHBondContact O-N 3.09Å; Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.24Å; Q105-R109 PolarHBondContact O-N 2.83Å
106	E	54.7	Low	54.7	Low	114 Å²	114	114 Å²	114	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-67.1	-47.7	172.7	-73.1	-179.3	136.2	0	0	111	N102 K108 R109 A110	N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 WeakPolarHBondContact O-CG 3.42Å; N102-E106 PolarHBondContact O-N 2.87Å; E106-K108 PolarHBondContact O-N 2.7Å; E106-R109 CarbonylContact O-C 3.58Å; E106-R109 PolarHBondContact O-N 3.2Å; E106-R109 VanDerWaalsContact O-N 3.1Å; E106-A110 VanDerWaalsContact O-CB 3.27Å; E106-A110 WeakPolarHBondContact O-CB 3.03Å; E106-A110 PolarHBondContact O-N 3.47Å
107	K	47.8	Very low	54.5	Low	136 Å²	136	112 Å²	112	59%	0.591	54%	0.54	S	S	*	.	H	α-helix	trans	-58.9	-35.8	173.2	-172.5	168.7	-176.9	172.3	0	111.6	Y103 A111	Y103-K107 VanDerWaalsContact O-CB 3.27Å; Y103-K107 WeakPolarHBondContact O-CB 3.39Å; Y103-K107 PolarHBondContact O-N 2.84Å; K107-A111 WeakPolarHBondContact O-CB 3.3Å; K107-A111 PolarHBondContact O-N 3.16Å
108	K	50.6	Low	53.7	Low	166 Å²	166	105.5 Å²	105.5	72%	0.722	51%	0.512	S	S	*	.	H	α-helix	trans	-75.1	-32.9	174.9	-168.4	172	-176.7	177.3	0	113.2	R104 Q105 E106 K112	R104-K108 VanDerWaalsContact O-CB 3.25Å; R104-K108 WeakPolarHBondContact O-CB 3.27Å; R104-K108 PolarHBondContact O-N 3.27Å; Q105-K108 CarbonylContact O-C 3.55Å; Q105-K108 PolarHBondContact O-N 3.09Å; E106-K108 PolarHBondContact O-N 2.7Å; K108-K112 WeakPolarHBondContact O-CB 3.5Å; K108-K112 PolarHBondContact O-N 2.72Å
109	R	51.9	Low	52.9	Low	161 Å²	161	108.8 Å²	108.8	61%	0.608	52%	0.52	S	S	*	.	H	α-helix	trans	-69.7	-54.8	174.2	176.5	-175.6	-71.7	163.8	-3.3	109.9	Q105 E106 A111 K112 E113	Q105-R109 VanDerWaalsContact O-CB 3.23Å; Q105-R109 WeakPolarHBondContact O-CB 3.24Å; Q105-R109 PolarHBondContact O-N 2.83Å; E106-R109 CarbonylContact O-C 3.58Å; E106-R109 PolarHBondContact O-N 3.2Å; E106-R109 VanDerWaalsContact O-N 3.1Å; R109-A111 VanDerWaalsContact C-N 3.3Å; R109-A111 PolarHBondContact O-N 2.8Å; R109-K112 CarbonylContact O-C 3.5Å; R109-K112 WeakPolarHBondContact O-CA 3.27Å; R109-K112 WeakPolarHBondContact O-CB 3.49Å; R109-K112 PolarHBondContact O-N 3.42Å; R109-E113 VanDerWaalsContact CD-OE1 3.3Å; R109-E113 WeakPolarHBondContact CD-OE1 3.22Å; R109-E113 VanDerWaalsContact CG-CD 3.47Å; R109-E113 HydrophobicContact CG-CG 4.35Å; R109-E113 WeakPolarHBondContact CG-OE1 3.36Å; R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 WeakPolarHBondContact O-CG 3.46Å; R109-E113 PolarHBondContact O-N 2.95Å
110	A	48.7	Very low	53	Low	53 Å²	53	106.7 Å²	106.7	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-57.5	-39.6	175.2	0	0	0	0	0	112.1	E106 K112 E113 L114	E106-A110 VanDerWaalsContact O-CB 3.27Å; E106-A110 WeakPolarHBondContact O-CB 3.03Å; E106-A110 PolarHBondContact O-N 3.47Å; A110-K112 VanDerWaalsContact C-N 3.35Å; A110-K112 PolarHBondContact O-N 2.82Å; A110-E113 PolarHBondContact O-N 3.27Å; A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.29Å
111	A	48.1	Very low	52.7	Low	56 Å²	56	104.7 Å²	104.7	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-34.5	172.5	0	0	0	0	0	113	K107 R109 S115	K107-A111 WeakPolarHBondContact O-CB 3.3Å; K107-A111 PolarHBondContact O-N 3.16Å; R109-A111 VanDerWaalsContact C-N 3.3Å; R109-A111 PolarHBondContact O-N 2.8Å; A111-S115 WeakPolarHBondContact O-CB 3.34Å; A111-S115 PolarHBondContact O-N 2.81Å
112	K	50.2	Low	52.6	Low	156 Å²	156	102.3 Å²	102.3	68%	0.678	51%	0.508	S	S	*	.	H	α-helix	trans	-74.4	-37.6	175.4	-172.5	-178.4	178.6	-172.2	0	112.3	K108 R109 A110 S115 T116	K108-K112 WeakPolarHBondContact O-CB 3.5Å; K108-K112 PolarHBondContact O-N 2.72Å; R109-K112 CarbonylContact O-C 3.5Å; R109-K112 WeakPolarHBondContact O-CA 3.27Å; R109-K112 WeakPolarHBondContact O-CB 3.49Å; R109-K112 PolarHBondContact O-N 3.42Å; A110-K112 VanDerWaalsContact C-N 3.35Å; A110-K112 PolarHBondContact O-N 2.82Å; K112-S115 CarbonylContact O-C 3.54Å; K112-S115 PolarHBondContact O-N 3.46Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 PolarHBondContact O-N 3.08Å; K112-T116 PolarHBondContact O-OG1 3.44Å
113	E	51.5	Low	53.1	Low	112 Å²	112	100.4 Å²	100.4	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-45.4	174.8	-74.9	162.6	-179.4	0	0	110.3	R109 A110 S115 T116 A117	R109-E113 VanDerWaalsContact CD-OE1 3.3Å; R109-E113 WeakPolarHBondContact CD-OE1 3.22Å; R109-E113 VanDerWaalsContact CG-CD 3.47Å; R109-E113 HydrophobicContact CG-CG 4.35Å; R109-E113 WeakPolarHBondContact CG-OE1 3.36Å; R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 WeakPolarHBondContact O-CG 3.46Å; R109-E113 PolarHBondContact O-N 2.95Å; A110-E113 PolarHBondContact O-N 3.27Å; E113-S115 PolarHBondContact O-N 3.04Å; E113-T116 CarbonylContact O-C 3.54Å; E113-T116 WeakPolarHBondContact O-CA 3.17Å; E113-T116 WeakPolarHBondContact O-CB 3.48Å; E113-T116 PolarHBondContact O-N 3.11Å; E113-A117 PolarHBondContact O-N 2.76Å
114	L	51.4	Low	54.3	Low	63 Å²	63	96 Å²	96	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-58.2	-46.8	169.6	-172.2	69.2	0	0	0	110.8	A110 T116 A117 L118 L237	A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.29Å; L114-T116 PolarHBondContact O-N 3.46Å; L114-T116 VanDerWaalsContact O-N 3.16Å; L114-A117 PolarHBondContact O-N 3.48Å; L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 HydrophobicContact CG-CG 4.36Å; L114-L118 VanDerWaalsContact O-CB 3.26Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.49Å; L114-L237 HydrophobicContact CD2-CD1 4.25Å
115	S	52.9	Low	55.5	Low	67 Å²	67	88.2 Å²	88.2	47%	0.469	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-17.4	173.3	178	0	0	0	0	114.2	A111 K112 E113	A111-S115 WeakPolarHBondContact O-CB 3.34Å; A111-S115 PolarHBondContact O-N 2.81Å; K112-S115 CarbonylContact O-C 3.54Å; K112-S115 PolarHBondContact O-N 3.46Å; E113-S115 PolarHBondContact O-N 3.04Å
116	T	54.3	Low	57.1	Low	81 Å²	81	84.5 Å²	84.5	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-90.7	-40.2	174.2	-54.7	0	0	0	0	111	K112 E113 L114 L118 K119	K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 PolarHBondContact O-N 3.08Å; K112-T116 PolarHBondContact O-OG1 3.44Å; E113-T116 CarbonylContact O-C 3.54Å; E113-T116 WeakPolarHBondContact O-CA 3.17Å; E113-T116 WeakPolarHBondContact O-CB 3.48Å; E113-T116 PolarHBondContact O-N 3.11Å; L114-T116 PolarHBondContact O-N 3.46Å; L114-T116 VanDerWaalsContact O-N 3.16Å; T116-L118 VanDerWaalsContact C-N 3.35Å; T116-K119 WeakPolarHBondContact O-CB 3.46Å; T116-K119 WeakPolarHBondContact O-CG 3.39Å; T116-K119 PolarHBondContact O-N 2.99Å
117	A	51.5	Low	58.7	Low	43 Å²	43	81.7 Å²	81.7	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-32.8	172.6	0	0	0	0	0	112.6	E113 L114 K119 D120	E113-A117 PolarHBondContact O-N 2.76Å; L114-A117 PolarHBondContact O-N 3.48Å; A117-K119 PolarHBondContact O-N 3.13Å; A117-D120 PolarHBondContact O-N 2.93Å
118	L	49	Very low	60.9	Low	11 Å²	11	78.4 Å²	78.4	6%	0.058	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-5	173.1	-76.8	168.4	0	0	0	113.8	L114 T116 V125 P148	L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 HydrophobicContact CG-CG 4.36Å; L114-L118 VanDerWaalsContact O-CB 3.26Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.49Å; T116-L118 VanDerWaalsContact C-N 3.35Å; L118-V125 HydrophobicContact CD2-CG1 4.48Å; L118-V125 HydrophobicContact CD2-CG2 3.4Å; L118-P148 HydrophobicContact CB-CG 4.49Å; L118-P148 HydrophobicContact CD2-CB 4.4Å; L118-P148 HydrophobicContact CD2-CG 3.79Å; L118-P148 WeakPolarHBondContact O-CG 3.43Å
119	K	49.8	Very low	62.8	Low	149 Å²	149	74.3 Å²	74.3	65%	0.648	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.9	169.7	-59	-176.8	178.1	-175.3	0	113.2	T116 A117	T116-K119 WeakPolarHBondContact O-CB 3.46Å; T116-K119 WeakPolarHBondContact O-CG 3.39Å; T116-K119 PolarHBondContact O-N 2.99Å; A117-K119 PolarHBondContact O-N 3.13Å
120	D	55.2	Low	64.8	Low	77 Å²	77	66.7 Å²	66.7	41%	0.412	38%	0.38	S	S	.	.	S	Bend	trans	-89.9	117.5	174.5	-178	-24.1	0	0	0	109.5	A117 S122 V123	A117-D120 PolarHBondContact O-N 2.93Å; D120-S122 PolarHBondContact O-N 3.2Å; D120-S122 VanDerWaalsContact OD1-CB 3.22Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 2.86Å; D120-S122 PolarHBondContact OD1-OG 3.33Å; D120-S122 PolarHBondContact OD2-OG 2.98Å; D120-V123 HydrophobicContact CB-CG2 3.86Å; D120-V123 PolarHBondContact O-N 3.28Å
121	P	54.5	Low	66.8	Low	83 Å²	83	69.1 Å²	69.1	54%	0.539	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.2	-177.8	30.4	-36.4	0	0	0	114.3
122	S	58.2	Low	68.9	Low	68 Å²	68	66.5 Å²	66.5	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.9	175.5	74.2	0	0	0	0	113.2	D120	D120-S122 PolarHBondContact O-N 3.2Å; D120-S122 VanDerWaalsContact OD1-CB 3.22Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 2.86Å; D120-S122 PolarHBondContact OD1-OG 3.33Å; D120-S122 PolarHBondContact OD2-OG 2.98Å
123	V	73.4	Confident	70.6	Confident	41 Å²	41	63.1 Å²	63.1	25%	0.248	34%	0.342	C	S	.	.			trans	-67.8	130	-170.1	173.3	0	0	0	0	112.2	D120 R147 P148	D120-V123 HydrophobicContact CB-CG2 3.86Å; D120-V123 PolarHBondContact O-N 3.28Å; V123-R147 WeakPolarHBondContact O-CG 3.45Å; V123-P148 VanDerWaalsContact O-CD 3.31Å; V123-P148 WeakPolarHBondContact O-CD 3.38Å
124	V	78.4	Confident	71.8	Confident	65 Å²	65	58.1 Å²	58.1	39%	0.394	32%	0.32	S	S	.	.			trans	-92.8	115.8	170.6	177.3	0	0	0	0	108.8	A145 L146 R147	V124-A145 HydrophobicContact CG1-CB 4.41Å; V124-L146 CarbonylContact C-O 3.58Å; V124-L146 WeakPolarHBondContact CA-O 3.27Å; V124-R147 HydrophobicContact CG2-CG 4.24Å
125	V	80.9	Confident	72.7	Confident	32 Å²	32	57.2 Å²	57.2	19%	0.194	32%	0.318	C	S	.	.	S	Bend	trans	-74.1	-39.7	-177.1	-172	0	0	0	0	111.2	L118 L146	L118-V125 HydrophobicContact CD2-CG1 4.48Å; L118-V125 HydrophobicContact CD2-CG2 3.4Å; V125-L146 HydrophobicContact CB-CB 4.41Å; V125-L146 HydrophobicContact CB-CD2 4.22Å; V125-L146 HydrophobicContact CB-CG 4.08Å; V125-L146 HydrophobicContact CG1-CD2 4.31Å; V125-L146 HydrophobicContact CG2-CG 4.46Å; V125-L146 PolarHBondContact N-O 2.87Å
126	M	85.6	Confident	73.3	Confident	41 Å²	41	60.2 Å²	60.2	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	140.3	179.7	-169.8	175.9	-171.6	0	0	108.5	L146 C230 W231 A234	M126-L146 HydrophobicContact CB-CB 4.29Å; M126-L146 HydrophobicContact CB-CD2 4.46Å; M126-L146 PolarHBondContact O-N 3.36Å; M126-C230 HydrophobicContact CE-CB 4.13Å; M126-W231 HydrophobicContact CE-CD2 3.88Å; M126-W231 HydrophobicContact CE-CG 3.8Å; M126-W231 HydrophobicContact CE-CZ2 4.42Å; M126-W231 HydrophobicContact CG-CD2 4.5Å; M126-W231 HydrophobicContact CG-CH2 4.26Å; M126-W231 HydrophobicContact CG-CZ2 4.21Å; M126-W231 HydrophobicContact CG-CZ3 4.43Å; M126-W231 HydrophobicContact SD-CD2 3.52Å; M126-W231 VanDerWaalsContact SD-CD2 3.52Å; M126-W231 HydrophobicContact SD-CE3 3.79Å; M126-W231 HydrophobicContact SD-CG 3.85Å; M126-W231 HydrophobicContact SD-CH2 4.46Å; M126-W231 HydrophobicContact SD-CZ2 4.25Å; M126-W231 HydrophobicContact SD-CZ3 4.25Å; M126-A234 HydrophobicContact CB-CB 4.44Å; M126-A234 HydrophobicContact SD-CB 4.01Å
127	S	89.6	Confident	74.2	Confident	54 Å²	54	63.6 Å²	63.6	38%	0.378	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.7	165.5	64.9	0	0	0	0	112	W143 C144	S127-W143 WeakPolarHBondContact OG-CZ2 3.25Å; S127-C144 WeakPolarHBondContact CA-O 3.49Å; S127-C144 WeakPolarHBondContact CB-O 3.46Å
128	N	92.3	Very high	75.5	Confident	68 Å²	68	64.4 Å²	64.4	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	174.7	176.7	-151.3	-22.7	0	0	0	110.1	C144 W231	N128-C144 PolarHBondContact N-O 2.68Å; N128-C144 VanDerWaalsContact N-O 3.07Å; N128-C144 PolarHBondContact O-N 2.84Å; N128-W231 HydrophobicContact CB-CZ2 3.93Å
129	W	91.6	Very high	77.2	Confident	79 Å²	79	68.5 Å²	68.5	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.6	170.1	-65	100.2	0	0	0	112	K141 L142 W143 P157	W129-K141 HydrophobicContact CB-CD 4.39Å; W129-K141 VanDerWaalsContact CB-CE 3.41Å; W129-K141 HydrophobicContact CB-CG 4.07Å; W129-K141 HydrophobicContact CD2-CD 4.24Å; W129-K141 HydrophobicContact CD2-CG 4.17Å; W129-K141 HydrophobicContact CE3-CD 4.17Å; W129-K141 HydrophobicContact CE3-CG 3.74Å; W129-K141 HydrophobicContact CG-CD 4.37Å; W129-K141 HydrophobicContact CG-CG 4.35Å; W129-K141 HydrophobicContact CZ3-CG 4.49Å; W129-L142 WeakPolarHBondContact CA-O 3.15Å; W129-W143 AromaticContact CD1-CE3 3.63Å; W129-W143 AromaticContact CD1-CZ3 3.59Å; W129-W143 AromaticContact CD2-CE3 3.79Å; W129-W143 HydrophobicContact CD2-CE3 3.79Å; W129-W143 AromaticContact CE2-CE3 3.7Å; W129-W143 HydrophobicContact CE3-CB 4.14Å; W129-W143 AromaticContact CG-CE3 3.78Å; W129-W143 HydrophobicContact CG-CE3 3.78Å; W129-W143 HydrophobicContact CG-CZ3 4.15Å; W129-W143 HydrophobicContact CH2-CB 4.4Å; W129-W143 HydrophobicContact CZ2-CE3 4.38Å; W129-W143 HydrophobicContact CZ3-CB 4.08Å; W129-W143 AromaticContact NE1-CE3 3.56Å; W129-W143 AromaticContact NE1-CZ3 3.65Å; W129-P157 HydrophobicContact CZ2-CG 3.89Å
130	L	92.7	Very high	79	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.3	165.5	-71.6	173.9	0	0	0	110.3	K141 L142 C144 F185 F220 A222 W231	L130-K141 WeakPolarHBondContact O-CA 3.36Å; L130-L142 PolarHBondContact N-O 3.09Å; L130-L142 PolarHBondContact O-N 3.31Å; L130-C144 HydrophobicContact CD1-CB 4.09Å; L130-C144 HydrophobicContact CG-CB 4.44Å; L130-F185 HydrophobicContact CD1-CZ 3.95Å; L130-F185 HydrophobicContact CD2-CZ 4.4Å; L130-F220 HydrophobicContact CB-CD1 4.09Å; L130-F220 HydrophobicContact CD1-CB 4.32Å; L130-F220 HydrophobicContact CD1-CD1 3.54Å; L130-F220 HydrophobicContact CD1-CE1 4.14Å; L130-F220 HydrophobicContact CD1-CG 4.18Å; L130-F220 HydrophobicContact CG-CD1 4.43Å; L130-A222 HydrophobicContact CD2-CB 4.31Å; L130-W231 HydrophobicContact CD1-CD2 3.86Å; L130-W231 HydrophobicContact CD1-CE3 4.04Å; L130-W231 HydrophobicContact CD1-CG 4.44Å; L130-W231 HydrophobicContact CD1-CH2 4.15Å; L130-W231 HydrophobicContact CD1-CZ2 3.96Å; L130-W231 HydrophobicContact CD1-CZ3 4.18Å; L130-W231 HydrophobicContact CD2-CD2 4.26Å; L130-W231 HydrophobicContact CD2-CG 4.16Å; L130-W231 HydrophobicContact CG-CD2 4.33Å; L130-W231 HydrophobicContact CG-CZ2 4.01Å
131	K	91.4	Very high	80.7	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.4	165.8	-73.8	174.3	-179.5	171.3	0	108	W139 T140 F220 R221	K131-W139 HydrophobicContact CB-CE3 4.04Å; K131-W139 WeakPolarHBondContact O-CZ3 3.4Å; K131-T140 CarbonylContact C-O 3.55Å; K131-T140 WeakPolarHBondContact CA-O 3.39Å; K131-F220 CarbonylContact O-C 3.59Å; K131-F220 WeakPolarHBondContact O-CA 3.27Å; K131-R221 HydrophobicContact CB-CB 4.22Å; K131-R221 PolarHBondContact N-O 2.86Å; K131-R221 PolarHBondContact O-N 2.93Å
132	I	91.6	Very high	82.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.9	177.1	-49.7	-168.1	0	0	0	108.9	W139 T140 L142 I153 L213 L218 F220	I132-W139 WeakPolarHBondContact O-CA 3.3Å; I132-T140 PolarHBondContact N-O 2.7Å; I132-T140 PolarHBondContact O-N 2.72Å; I132-L142 HydrophobicContact CB-CD1 4.41Å; I132-L142 HydrophobicContact CD1-CB 4.15Å; I132-L142 HydrophobicContact CD1-CD1 3.98Å; I132-L142 HydrophobicContact CG1-CB 4.39Å; I132-L142 HydrophobicContact CG1-CD1 4.35Å; I132-I153 HydrophobicContact CD1-CD1 3.69Å; I132-I153 HydrophobicContact CD1-CG1 4.31Å; I132-I153 HydrophobicContact CD1-CG2 4.03Å; I132-L213 HydrophobicContact CG2-CD2 3.96Å; I132-L218 HydrophobicContact CD1-CD1 4.43Å; I132-L218 HydrophobicContact CG2-CB 4.33Å; I132-L218 HydrophobicContact CG2-CD1 4.05Å; I132-L218 HydrophobicContact CG2-CD2 3.73Å; I132-L218 HydrophobicContact CG2-CG 4.26Å; I132-F220 HydrophobicContact CD1-CD1 4.05Å; I132-F220 HydrophobicContact CD1-CE1 3.63Å; I132-F220 HydrophobicContact CG1-CD1 3.79Å; I132-F220 HydrophobicContact CG1-CE1 3.92Å
133	R	86.5	Confident	84.1	Confident	86 Å²	86	60.7 Å²	60.7	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.4	177.7	-157.4	-177.4	-172.2	-174.8	3.3	111.7	K137 S138 W139 I219	R133-K137 PolarHBondContact NE-O 3.14Å; R133-S138 CarbonylContact C-O 3.48Å; R133-S138 WeakPolarHBondContact CA-O 3.3Å; R133-S138 VanDerWaalsContact CG-O 3.26Å; R133-S138 WeakPolarHBondContact CG-O 3.18Å; R133-W139 HydrophobicContact CB-CD2 4.13Å; R133-W139 HydrophobicContact CB-CE3 3.78Å; R133-W139 HydrophobicContact CB-CH2 4.14Å; R133-W139 HydrophobicContact CB-CZ2 4.44Å; R133-W139 HydrophobicContact CB-CZ3 3.79Å; R133-W139 HydrophobicContact CG-CD2 4.08Å; R133-W139 HydrophobicContact CG-CE3 4.25Å; R133-W139 HydrophobicContact CG-CZ2 4.32Å; R133-W139 HydrophobicContact CG-CZ3 4.46Å; R133-I219 HydrophobicContact CB-CB 4.09Å; R133-I219 PolarHBondContact N-O 2.97Å
134	G	76.5	Confident	85	Confident	6 Å²	6	58.7 Å²	58.7	6%	0.062	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-76.5	165.1	173.9	0	0	0	0	0	113.2	L136 K137 S138 P212	G134-L136 PolarHBondContact O-N 3.47Å; G134-K137 WeakPolarHBondContact O-CA 3.47Å; G134-K137 PolarHBondContact O-N 2.74Å; G134-S138 PolarHBondContact N-O 2.87Å; G134-P212 WeakPolarHBondContact CA-O 3.31Å
135	S	70	Confident	85.6	Confident	44 Å²	44	56 Å²	56	31%	0.308	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.4	177.4	-57.9	0	0	0	0	112.7	K137 P212	S135-K137 PolarHBondContact O-N 2.67Å; S135-K137 VanDerWaalsContact O-N 3.11Å; S135-P212 WeakPolarHBondContact CB-O 3.41Å; S135-P212 PolarHBondContact N-O 3.43Å; S135-P212 PolarHBondContact OG-O 2.74Å
136	L	66.9	Low	86.1	Confident	130 Å²	130	54.5 Å²	54.5	68%	0.681	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	15.9	172.1	-60.6	177.2	0	0	0	113.6	G134 S138 P212	G134-L136 PolarHBondContact O-N 3.47Å; L136-S138 PolarHBondContact O-N 2.75Å; L136-P212 HydrophobicContact CD1-CG 4.05Å; L136-P212 HydrophobicContact CG-CG 3.92Å
137	K	72.8	Confident	86.1	Confident	153 Å²	153	56.2 Å²	56.2	67%	0.665	27%	0.269	S	S	*	.	S	Bend	trans	65.3	-3.9	177.3	-62	171.8	-175.5	169.5	0	116.1	R133 G134 S135	R133-K137 PolarHBondContact NE-O 3.14Å; G134-K137 WeakPolarHBondContact O-CA 3.47Å; G134-K137 PolarHBondContact O-N 2.74Å; S135-K137 PolarHBondContact O-N 2.67Å; S135-K137 VanDerWaalsContact O-N 3.11Å
138	S	78.9	Confident	85.6	Confident	60 Å²	60	53.9 Å²	53.9	42%	0.42	25%	0.253	S	S	.	.			trans	-65.8	164.7	170.7	52.7	0	0	0	0	112.9	R133 G134 L136	R133-S138 CarbonylContact C-O 3.48Å; R133-S138 WeakPolarHBondContact CA-O 3.3Å; R133-S138 VanDerWaalsContact CG-O 3.26Å; R133-S138 WeakPolarHBondContact CG-O 3.18Å; G134-S138 PolarHBondContact N-O 2.87Å; L136-S138 PolarHBondContact O-N 2.75Å
139	W	84.9	Confident	84.8	Confident	97 Å²	97	51 Å²	51	37%	0.367	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.1	179.3	-68.2	97.2	0	0	0	111	K131 I132 R133 I219 R221	K131-W139 HydrophobicContact CB-CE3 4.04Å; K131-W139 WeakPolarHBondContact O-CZ3 3.4Å; I132-W139 WeakPolarHBondContact O-CA 3.3Å; R133-W139 HydrophobicContact CB-CD2 4.13Å; R133-W139 HydrophobicContact CB-CE3 3.78Å; R133-W139 HydrophobicContact CB-CH2 4.14Å; R133-W139 HydrophobicContact CB-CZ2 4.44Å; R133-W139 HydrophobicContact CB-CZ3 3.79Å; R133-W139 HydrophobicContact CG-CD2 4.08Å; R133-W139 HydrophobicContact CG-CE3 4.25Å; R133-W139 HydrophobicContact CG-CZ2 4.32Å; R133-W139 HydrophobicContact CG-CZ3 4.46Å; W139-I219 HydrophobicContact CH2-CG2 3.94Å; W139-I219 HydrophobicContact CZ3-CG2 4.44Å; W139-R221 HydrophobicContact CE3-CB 4.24Å; W139-R221 HydrophobicContact CH2-CB 3.78Å; W139-R221 HydrophobicContact CZ3-CB 3.55Å
140	T	87.3	Confident	84.6	Confident	28 Å²	28	49.1 Å²	49.1	17%	0.172	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.3	179.9	-55.6	0	0	0	0	110.3	K131 I132 L142 Q211	K131-T140 CarbonylContact C-O 3.55Å; K131-T140 WeakPolarHBondContact CA-O 3.39Å; I132-T140 PolarHBondContact N-O 2.7Å; I132-T140 PolarHBondContact O-N 2.72Å; T140-L142 HydrophobicContact CG2-CD1 4.49Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å; T140-L142 HydrophobicContact CG2-CG 4.01Å; T140-L142 PolarHBondContact O-N 3.14Å; T140-Q211 VanDerWaalsContact CB-OE1 3.3Å; T140-Q211 VanDerWaalsContact OG1-CD 3.27Å; T140-Q211 PolarHBondContact OG1-NE2 2.98Å; T140-Q211 VanDerWaalsContact OG1-NE2 3.14Å; T140-Q211 PolarHBondContact OG1-OE1 3.39Å
141	K	90.6	Very high	84.4	Confident	122 Å²	122	49 Å²	49	53%	0.53	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.2	174.9	-167.3	-171.6	175.3	-168.1	0	108.3	W129 L130	W129-K141 HydrophobicContact CB-CD 4.39Å; W129-K141 VanDerWaalsContact CB-CE 3.41Å; W129-K141 HydrophobicContact CB-CG 4.07Å; W129-K141 HydrophobicContact CD2-CD 4.24Å; W129-K141 HydrophobicContact CD2-CG 4.17Å; W129-K141 HydrophobicContact CE3-CD 4.17Å; W129-K141 HydrophobicContact CE3-CG 3.74Å; W129-K141 HydrophobicContact CG-CD 4.37Å; W129-K141 HydrophobicContact CG-CG 4.35Å; W129-K141 HydrophobicContact CZ3-CG 4.49Å; L130-K141 WeakPolarHBondContact O-CA 3.36Å
142	L	91.4	Very high	84.3	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.2	-179.3	-67.6	173	0	0	0	110.3	W129 L130 I132 T140 I153	W129-L142 WeakPolarHBondContact CA-O 3.15Å; L130-L142 PolarHBondContact N-O 3.09Å; L130-L142 PolarHBondContact O-N 3.31Å; I132-L142 HydrophobicContact CB-CD1 4.41Å; I132-L142 HydrophobicContact CD1-CB 4.15Å; I132-L142 HydrophobicContact CD1-CD1 3.98Å; I132-L142 HydrophobicContact CG1-CB 4.39Å; I132-L142 HydrophobicContact CG1-CD1 4.35Å; T140-L142 HydrophobicContact CG2-CD1 4.49Å; T140-L142 HydrophobicContact CG2-CD2 4.09Å; T140-L142 HydrophobicContact CG2-CG 4.01Å; T140-L142 PolarHBondContact O-N 3.14Å; L142-I153 HydrophobicContact CB-CG2 3.91Å; L142-I153 HydrophobicContact CD1-CG2 3.94Å; L142-I153 HydrophobicContact CG-CG2 4.46Å
143	W	91.8	Very high	84.2	Confident	48 Å²	48	44.2 Å²	44.2	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.5	178.6	-176.1	-103.7	0	0	0	109	S127 W129 I153 Y154 P157	S127-W143 WeakPolarHBondContact OG-CZ2 3.25Å; W129-W143 AromaticContact CD1-CE3 3.63Å; W129-W143 AromaticContact CD1-CZ3 3.59Å; W129-W143 AromaticContact CD2-CE3 3.79Å; W129-W143 HydrophobicContact CD2-CE3 3.79Å; W129-W143 AromaticContact CE2-CE3 3.7Å; W129-W143 HydrophobicContact CE3-CB 4.14Å; W129-W143 AromaticContact CG-CE3 3.78Å; W129-W143 HydrophobicContact CG-CE3 3.78Å; W129-W143 HydrophobicContact CG-CZ3 4.15Å; W129-W143 HydrophobicContact CH2-CB 4.4Å; W129-W143 HydrophobicContact CZ2-CE3 4.38Å; W129-W143 HydrophobicContact CZ3-CB 4.08Å; W129-W143 AromaticContact NE1-CE3 3.56Å; W129-W143 AromaticContact NE1-CZ3 3.65Å; W143-I153 WeakPolarHBondContact O-CA 3.19Å; W143-Y154 PolarHBondContact N-O 3.34Å; W143-Y154 PolarHBondContact O-N 2.77Å; W143-P157 HydrophobicContact CD2-CB 4.1Å; W143-P157 HydrophobicContact CD2-CG 4.11Å; W143-P157 HydrophobicContact CE3-CG 4.14Å; W143-P157 HydrophobicContact CG-CB 4.36Å; W143-P157 HydrophobicContact CG-CG 4.45Å; W143-P157 HydrophobicContact CZ2-CB 4.45Å
144	C	93.1	Very high	84.2	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.3	-176.3	-64.4	0	0	0	0	108.9	S127 N128 L130 L151 L152 W231	S127-C144 WeakPolarHBondContact CA-O 3.49Å; S127-C144 WeakPolarHBondContact CB-O 3.46Å; N128-C144 PolarHBondContact N-O 2.68Å; N128-C144 VanDerWaalsContact N-O 3.07Å; N128-C144 PolarHBondContact O-N 2.84Å; L130-C144 HydrophobicContact CD1-CB 4.09Å; L130-C144 HydrophobicContact CG-CB 4.44Å; C144-L151 HydrophobicContact CB-CD1 4.26Å; C144-L152 WeakPolarHBondContact CA-O 3.32Å; C144-W231 HydrophobicContact CB-CH2 3.73Å; C144-W231 HydrophobicContact CB-CZ2 4.25Å; C144-W231 HydrophobicContact CB-CZ3 4.45Å
145	A	91.2	Very high	84.6	Confident	9 Å²	9	44.5 Å²	44.5	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.5	177.1	0	0	0	0	0	109.9	V124 L152 Y154	V124-A145 HydrophobicContact CG1-CB 4.41Å; A145-L152 HydrophobicContact CB-CB 4.44Å; A145-L152 PolarHBondContact N-O 3.5Å; A145-L152 PolarHBondContact O-N 3.32Å; A145-Y154 HydrophobicContact CB-CE2 4.34Å
146	L	90.3	Very high	85.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.9	179.5	-178.1	60.2	0	0	0	110.4	V124 V125 M126 L151 L168 W231 A234 L235 A238	V124-L146 CarbonylContact C-O 3.58Å; V124-L146 WeakPolarHBondContact CA-O 3.27Å; V125-L146 HydrophobicContact CB-CB 4.41Å; V125-L146 HydrophobicContact CB-CD2 4.22Å; V125-L146 HydrophobicContact CB-CG 4.08Å; V125-L146 HydrophobicContact CG1-CD2 4.31Å; V125-L146 HydrophobicContact CG2-CG 4.46Å; V125-L146 PolarHBondContact N-O 2.87Å; M126-L146 HydrophobicContact CB-CB 4.29Å; M126-L146 HydrophobicContact CB-CD2 4.46Å; M126-L146 PolarHBondContact O-N 3.36Å; L146-L151 HydrophobicContact CB-CD1 4.1Å; L146-L151 HydrophobicContact CD1-CB 4.37Å; L146-L151 HydrophobicContact CD1-CD1 4.25Å; L146-L168 HydrophobicContact CD1-CD1 3.54Å; L146-W231 HydrophobicContact CB-CZ3 4.19Å; L146-A234 HydrophobicContact CD2-CB 3.77Å; L146-A234 WeakPolarHBondContact CD2-O 3.35Å; L146-L235 HydrophobicContact CD1-CD2 3.7Å; L146-L235 HydrophobicContact CD2-CD2 4.24Å; L146-L235 HydrophobicContact CD2-CG 4.32Å; L146-A238 HydrophobicContact CD1-CB 3.8Å; L146-A238 HydrophobicContact CD2-CB 4.17Å; L146-A238 HydrophobicContact CG-CB 4.15Å
147	R	86.4	Confident	85.8	Confident	76 Å²	76	42 Å²	42	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	168.7	173.5	-68.3	-162	179.8	-166.8	0.2	109.6	V123 V124 G149 V150 L152	V123-R147 WeakPolarHBondContact O-CG 3.45Å; V124-R147 HydrophobicContact CG2-CG 4.24Å; R147-G149 PolarHBondContact O-N 2.83Å; R147-V150 HydrophobicContact CB-CG2 3.92Å; R147-V150 PolarHBondContact N-O 3.15Å; R147-V150 PolarHBondContact O-N 3.28Å; R147-L152 HydrophobicContact CG-CD1 4.27Å
148	P	79.9	Confident	85.9	Confident	6 Å²	6	38 Å²	38	4%	0.039	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	126.4	167.1	-24.1	30.8	0	0	0	111.1	L118 V123 V150 Y245	L118-P148 HydrophobicContact CB-CG 4.49Å; L118-P148 HydrophobicContact CD2-CB 4.4Å; L118-P148 HydrophobicContact CD2-CG 3.79Å; L118-P148 WeakPolarHBondContact O-CG 3.43Å; V123-P148 VanDerWaalsContact O-CD 3.31Å; V123-P148 WeakPolarHBondContact O-CD 3.38Å; P148-V150 PolarHBondContact O-N 3.19Å; P148-Y245 HydrophobicContact CB-CE2 4.07Å; P148-Y245 WeakPolarHBondContact CB-OH 3.49Å
149	G	75.6	Confident	85.3	Confident	8 Å²	8	38.5 Å²	38.5	8%	0.082	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-13.6	175.5	0	0	0	0	0	117.9	R147 L168	R147-G149 PolarHBondContact O-N 2.83Å; G149-L168 VanDerWaalsContact O-CB 3.31Å; G149-L168 WeakPolarHBondContact O-CB 3.31Å; G149-L168 PolarHBondContact O-N 3.18Å
150	V	85.9	Confident	84.3	Confident	38 Å²	38	38.7 Å²	38.7	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.7	-178.5	-59.6	0	0	0	0	114.3	R147 P148 T165 I166 L167	R147-V150 HydrophobicContact CB-CG2 3.92Å; R147-V150 PolarHBondContact N-O 3.15Å; R147-V150 PolarHBondContact O-N 3.28Å; P148-V150 PolarHBondContact O-N 3.19Å; V150-T165 HydrophobicContact CB-CG2 4.2Å; V150-T165 HydrophobicContact CG1-CG2 4.35Å; V150-I166 VanDerWaalsContact CA-O 3.25Å; V150-I166 WeakPolarHBondContact CA-O 3.46Å; V150-I166 WeakPolarHBondContact CB-O 3.21Å; V150-L167 HydrophobicContact CG1-CD2 4.14Å
151	L	89.5	Confident	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.8	169	177.3	64.5	0	0	0	109.5	C144 L146 I166 L168 F220 W231 L235	C144-L151 HydrophobicContact CB-CD1 4.26Å; L146-L151 HydrophobicContact CB-CD1 4.1Å; L146-L151 HydrophobicContact CD1-CB 4.37Å; L146-L151 HydrophobicContact CD1-CD1 4.25Å; L151-I166 HydrophobicContact CB-CB 4.29Å; L151-I166 HydrophobicContact CD2-CD1 4.26Å; L151-I166 PolarHBondContact N-O 2.77Å; L151-I166 PolarHBondContact O-N 3.06Å; L151-L168 HydrophobicContact CB-CD2 4.04Å; L151-F220 HydrophobicContact CD2-CE1 4.12Å; L151-F220 HydrophobicContact CD2-CZ 3.75Å; L151-W231 HydrophobicContact CD1-CZ3 4.25Å; L151-L235 HydrophobicContact CD2-CD2 4.44Å
152	L	88.6	Confident	83.4	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.5	179.5	-61.9	163.8	0	0	0	109.8	C144 A145 R147 Y154 T165 P201	C144-L152 WeakPolarHBondContact CA-O 3.32Å; A145-L152 HydrophobicContact CB-CB 4.44Å; A145-L152 PolarHBondContact N-O 3.5Å; A145-L152 PolarHBondContact O-N 3.32Å; R147-L152 HydrophobicContact CG-CD1 4.27Å; L152-Y154 HydrophobicContact CB-CD2 4.45Å; L152-Y154 HydrophobicContact CB-CE2 3.57Å; L152-T165 HydrophobicContact CD2-CG2 3.78Å; L152-T165 WeakPolarHBondContact CD2-OG1 3.34Å; L152-P201 HydrophobicContact CD2-CB 4.33Å; L152-P201 HydrophobicContact CD2-CG 4.2Å
153	I	89.7	Confident	82.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.3	-179.6	-57.5	172	0	0	0	109.6	I132 L142 W143 V163 G164 I166 W196 L218	I132-I153 HydrophobicContact CD1-CD1 3.69Å; I132-I153 HydrophobicContact CD1-CG1 4.31Å; I132-I153 HydrophobicContact CD1-CG2 4.03Å; L142-I153 HydrophobicContact CB-CG2 3.91Å; L142-I153 HydrophobicContact CD1-CG2 3.94Å; L142-I153 HydrophobicContact CG-CG2 4.46Å; W143-I153 WeakPolarHBondContact O-CA 3.19Å; I153-V163 HydrophobicContact CB-CB 4.35Å; I153-V163 HydrophobicContact CG2-CB 4.01Å; I153-V163 HydrophobicContact CG2-CG1 4.22Å; I153-V163 WeakPolarHBondContact O-CB 3.32Å; I153-V163 PolarHBondContact O-N 2.91Å; I153-G164 PolarHBondContact N-O 2.78Å; I153-G164 PolarHBondContact O-N 2.97Å; I153-I166 HydrophobicContact CD1-CD1 3.59Å; I153-I166 HydrophobicContact CD1-CG1 4.49Å; I153-W196 HydrophobicContact CD1-CH2 3.93Å; I153-W196 HydrophobicContact CD1-CZ3 4.08Å; I153-L218 HydrophobicContact CD1-CD1 3.79Å
154	Y	87.1	Confident	82.5	Confident	19 Å²	19	36.2 Å²	36.2	8%	0.075	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.5	-177.6	-57.4	-93.9	0	0	0	111.3	W143 A145 L152 T156 P159 H161 W162	W143-Y154 PolarHBondContact N-O 3.34Å; W143-Y154 PolarHBondContact O-N 2.77Å; A145-Y154 HydrophobicContact CB-CE2 4.34Å; L152-Y154 HydrophobicContact CB-CD2 4.45Å; L152-Y154 HydrophobicContact CB-CE2 3.57Å; Y154-T156 WeakPolarHBondContact CB-O 3.46Å; Y154-P159 HydrophobicContact CE1-CB 4.47Å; Y154-P159 WeakPolarHBondContact CE1-O 3.31Å; Y154-H161 CarbonylContact C-O 3.49Å; Y154-H161 VanDerWaalsContact CA-O 3.27Å; Y154-H161 WeakPolarHBondContact CA-O 3.24Å; Y154-W162 HydrophobicContact CD1-CB 4.03Å; Y154-W162 HydrophobicContact CE1-CB 3.95Å; Y154-W162 HydrophobicContact CE1-CG 4.46Å
155	K	84.2	Confident	82.2	Confident	79 Å²	79	36.7 Å²	36.7	34%	0.343	20%	0.2	S	C	.	.	S	Bend	trans	-76.1	-30.1	173.9	-52.2	-177.2	-173.7	171.7	0	111.8	H161 V163 I209	K155-H161 HydrophobicContact CB-CB 4.05Å; K155-H161 HydrophobicContact CG-CB 4.45Å; K155-H161 PolarHBondContact N-O 3.19Å; K155-V163 HydrophobicContact CB-CG2 4.4Å; K155-V163 HydrophobicContact CD-CG2 4.34Å; K155-V163 HydrophobicContact CG-CG2 3.35Å; K155-I209 PolarHBondContact NZ-O 3.46Å
156	T	80.9	Confident	82	Confident	44 Å²	44	36.3 Å²	36.3	27%	0.27	20%	0.196	S	C	.	.	S	Bend	trans	-129.7	169.5	179.4	55.6	0	0	0	0	109.9	Y154 T158 H161	Y154-T156 WeakPolarHBondContact CB-O 3.46Å; T156-T158 PolarHBondContact O-N 3.13Å; T156-T158 PolarHBondContact OG1-N 3.4Å; T156-T158 PolarHBondContact OG1-O 2.99Å; T156-T158 PolarHBondContact OG1-OG1 3.33Å; T156-H161 WeakPolarHBondContact OG1-CB 3.34Å; T156-H161 PolarHBondContact OG1-ND1 3.19Å
157	P	81.3	Confident	81.6	Confident	77 Å²	77	39.6 Å²	39.6	50%	0.5	21%	0.214	S	C	.	.	S	Bend	trans	-68.5	-11.5	169.8	-21	35	0	0	0	114.4	W129 W143	W129-P157 HydrophobicContact CZ2-CG 3.89Å; W143-P157 HydrophobicContact CD2-CB 4.1Å; W143-P157 HydrophobicContact CD2-CG 4.11Å; W143-P157 HydrophobicContact CE3-CG 4.14Å; W143-P157 HydrophobicContact CG-CB 4.36Å; W143-P157 HydrophobicContact CG-CG 4.45Å; W143-P157 HydrophobicContact CZ2-CB 4.45Å
158	T	75	Confident	81.5	Confident	69 Å²	69	36 Å²	36	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	-81.6	139.7	176.9	49.1	0	0	0	0	111.4	T156 D160 H161	T156-T158 PolarHBondContact O-N 3.13Å; T156-T158 PolarHBondContact OG1-N 3.4Å; T156-T158 PolarHBondContact OG1-O 2.99Å; T156-T158 PolarHBondContact OG1-OG1 3.33Å; T158-D160 PolarHBondContact O-N 2.69Å; T158-D160 VanDerWaalsContact O-N 3.1Å; T158-H161 PolarHBondContact OG1-ND1 3.06Å
159	P	65.5	Low	81.4	Confident	71 Å²	71	39.8 Å²	39.8	46%	0.461	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.4	-169.3	28.9	-36.2	0	0	0	114.2	Y154 H161	Y154-P159 HydrophobicContact CE1-CB 4.47Å; Y154-P159 WeakPolarHBondContact CE1-O 3.31Å; P159-H161 VanDerWaalsContact C-N 3.34Å
160	D	65.8	Low	81.2	Confident	101 Å²	101	40.8 Å²	40.8	54%	0.54	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.3	-171.5	-44.1	-66.4	0	0	0	113.5	T158 K202	T158-D160 PolarHBondContact O-N 2.69Å; T158-D160 VanDerWaalsContact O-N 3.1Å; D160-K202 IonicContact OD1-NZ 3.32Å; D160-K202 PolarHBondContact OD1-NZ 3.1Å
161	H	76	Confident	81.2	Confident	95 Å²	95	39.6 Å²	39.6	44%	0.44	23%	0.227	S	C	.	.	S	Bend	trans	-111.9	48.7	174.3	-61.2	90.1	0	0	0	111.9	Y154 K155 T156 T158 P159	Y154-H161 CarbonylContact C-O 3.49Å; Y154-H161 VanDerWaalsContact CA-O 3.27Å; Y154-H161 WeakPolarHBondContact CA-O 3.24Å; K155-H161 HydrophobicContact CB-CB 4.05Å; K155-H161 HydrophobicContact CG-CB 4.45Å; K155-H161 PolarHBondContact N-O 3.19Å; T156-H161 WeakPolarHBondContact OG1-CB 3.34Å; T156-H161 PolarHBondContact OG1-ND1 3.19Å; T158-H161 PolarHBondContact OG1-ND1 3.06Å; P159-H161 VanDerWaalsContact C-N 3.34Å
162	W	83.3	Confident	81.1	Confident	27 Å²	27	45.4 Å²	45.4	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	143.5	175.6	177.5	69.7	0	0	0	112	Y154 G164 T165 G200 E204 V206	Y154-W162 HydrophobicContact CD1-CB 4.03Å; Y154-W162 HydrophobicContact CE1-CB 3.95Å; Y154-W162 HydrophobicContact CE1-CG 4.46Å; W162-G164 VanDerWaalsContact CE2-CA 3.5Å; W162-G164 PolarHBondContact NE1-O 2.8Å; W162-T165 PolarHBondContact NE1-OG1 3.44Å; W162-G200 VanDerWaalsContact CH2-CA 3.43Å; W162-G200 VanDerWaalsContact CH2-N 3.31Å; W162-E204 HydrophobicContact CE3-CB 4.22Å; W162-E204 HydrophobicContact CZ3-CB 4.08Å; W162-V206 HydrophobicContact CH2-CG2 4.17Å
163	V	80.9	Confident	81.3	Confident	35 Å²	35	46.4 Å²	46.4	21%	0.212	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-34.4	-179.6	176.2	0	0	0	0	111.2	I153 K155 L213	I153-V163 HydrophobicContact CB-CB 4.35Å; I153-V163 HydrophobicContact CG2-CB 4.01Å; I153-V163 HydrophobicContact CG2-CG1 4.22Å; I153-V163 WeakPolarHBondContact O-CB 3.32Å; I153-V163 PolarHBondContact O-N 2.91Å; K155-V163 HydrophobicContact CB-CG2 4.4Å; K155-V163 HydrophobicContact CD-CG2 4.34Å; K155-V163 HydrophobicContact CG-CG2 3.35Å; V163-L213 HydrophobicContact CG1-CD1 4.4Å
164	G	83	Confident	81.4	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	161.6	-179.8	0	0	0	0	0	112.9	I153 W162	I153-G164 PolarHBondContact N-O 2.78Å; I153-G164 PolarHBondContact O-N 2.97Å; W162-G164 VanDerWaalsContact CE2-CA 3.5Å; W162-G164 PolarHBondContact NE1-O 2.8Å
165	T	86.7	Confident	81.6	Confident	10 Å²	10	53.6 Å²	53.6	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.8	177.7	-57.6	0	0	0	0	108.4	V150 L152 W162 W196 A197	V150-T165 HydrophobicContact CB-CG2 4.2Å; V150-T165 HydrophobicContact CG1-CG2 4.35Å; L152-T165 HydrophobicContact CD2-CG2 3.78Å; L152-T165 WeakPolarHBondContact CD2-OG1 3.34Å; W162-T165 PolarHBondContact NE1-OG1 3.44Å; T165-W196 WeakPolarHBondContact O-CA 3.23Å; T165-A197 HydrophobicContact CG2-CB 4.01Å; T165-A197 PolarHBondContact O-N 2.76Å
166	I	86.6	Confident	81.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133	-179.3	-63.8	163.9	0	0	0	109.6	V150 L151 I153 L168 L187 I195 W196 L218 F220	V150-I166 VanDerWaalsContact CA-O 3.25Å; V150-I166 WeakPolarHBondContact CA-O 3.46Å; V150-I166 WeakPolarHBondContact CB-O 3.21Å; L151-I166 HydrophobicContact CB-CB 4.29Å; L151-I166 HydrophobicContact CD2-CD1 4.26Å; L151-I166 PolarHBondContact N-O 2.77Å; L151-I166 PolarHBondContact O-N 3.06Å; I153-I166 HydrophobicContact CD1-CD1 3.59Å; I153-I166 HydrophobicContact CD1-CG1 4.49Å; I166-L168 HydrophobicContact CG2-CD2 4.32Å; I166-L168 PolarHBondContact O-N 3.48Å; I166-L187 HydrophobicContact CG2-CD2 3.81Å; I166-I195 WeakPolarHBondContact CA-O 3.48Å; I166-I195 HydrophobicContact CD1-CD1 4.4Å; I166-I195 HydrophobicContact CG1-CD1 4.41Å; I166-I195 HydrophobicContact CG2-CB 4.18Å; I166-I195 HydrophobicContact CG2-CD1 4.09Å; I166-I195 HydrophobicContact CG2-CG1 4.35Å; I166-W196 HydrophobicContact CD1-CH2 4.16Å; I166-W196 HydrophobicContact CD1-CZ3 4.05Å; I166-W196 HydrophobicContact CG1-CD2 4.26Å; I166-W196 HydrophobicContact CG1-CE3 3.7Å; I166-W196 HydrophobicContact CG1-CH2 4.19Å; I166-W196 HydrophobicContact CG1-CZ3 3.65Å; I166-L218 HydrophobicContact CD1-CD1 3.49Å; I166-L218 VanDerWaalsContact CD1-CD1 3.49Å; I166-F220 HydrophobicContact CD1-CZ 4.5Å
167	L	82.8	Confident	81.6	Confident	70 Å²	70	59.4 Å²	59.4	37%	0.366	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.6	176	-60.6	178.3	0	0	0	109.5	V150 S169 A170 C171 I195 A197	V150-L167 HydrophobicContact CG1-CD2 4.14Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.87Å; L167-A170 PolarHBondContact O-N 2.83Å; L167-C171 PolarHBondContact O-SG 3.36Å; L167-I195 PolarHBondContact N-O 3.15Å; L167-A197 HydrophobicContact CD1-CB 4.32Å; L167-A197 HydrophobicContact CD2-CB 3.85Å; L167-A197 HydrophobicContact CG-CB 3.93Å
168	L	83.4	Confident	81.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-67.6	-32.8	-176.4	-60.5	177.8	0	0	0	111.8	L146 G149 L151 I166 A170 C171 L187 L235 A238 L239	L146-L168 HydrophobicContact CD1-CD1 3.54Å; G149-L168 VanDerWaalsContact O-CB 3.31Å; G149-L168 WeakPolarHBondContact O-CB 3.31Å; G149-L168 PolarHBondContact O-N 3.18Å; L151-L168 HydrophobicContact CB-CD2 4.04Å; I166-L168 HydrophobicContact CG2-CD2 4.32Å; I166-L168 PolarHBondContact O-N 3.48Å; L168-A170 PolarHBondContact O-N 2.61Å; L168-C171 WeakPolarHBondContact O-CB 3.46Å; L168-C171 PolarHBondContact O-N 3.15Å; L168-L187 HydrophobicContact CD2-CD1 4.38Å; L168-L187 HydrophobicContact CD2-CD2 3.77Å; L168-L235 HydrophobicContact CD1-CD2 4.37Å; L168-L235 HydrophobicContact CD2-CD2 4.11Å; L168-A238 HydrophobicContact CD1-CB 3.79Å; L168-L239 HydrophobicContact CB-CD2 3.84Å; L168-L239 HydrophobicContact CB-CG 4.41Å; L168-L239 WeakPolarHBondContact O-CD2 3.49Å
169	S	77.8	Confident	80.6	Confident	85 Å²	85	65.1 Å²	65.1	59%	0.594	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-56.2	-20.1	176.7	53.5	0	0	0	0	114.9	L167	L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.87Å
170	A	70.9	Confident	80.4	Confident	30 Å²	30	69.1 Å²	69.1	25%	0.248	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-99.9	1.6	176.7	0	0	0	0	0	113.6	L167 L168 H189	L167-A170 PolarHBondContact O-N 2.83Å; L168-A170 PolarHBondContact O-N 2.61Å; A170-H189 PolarHBondContact O-CD2 3.33Å
171	C	85.4	Confident	80.1	Confident	13 Å²	13	71.7 Å²	71.7	9%	0.088	37%	0.366	C	S	.	.			trans	-108.5	154.1	-171.8	-64.5	0	0	0	0	113.3	L167 L168 L187 Y188 I195 L239	L167-C171 PolarHBondContact O-SG 3.36Å; L168-C171 WeakPolarHBondContact O-CB 3.46Å; L168-C171 PolarHBondContact O-N 3.15Å; C171-L187 HydrophobicContact CB-CD1 3.6Å; C171-L187 HydrophobicContact CB-CD2 4.42Å; C171-L187 HydrophobicContact CB-CG 3.79Å; C171-Y188 CarbonylContact C-O 3.6Å; C171-Y188 WeakPolarHBondContact CA-O 3.3Å; C171-I195 VanDerWaalsContact SG-CG2 3.53Å; C171-L239 HydrophobicContact CB-CD2 4.31Å
172	K	89	Confident	79.7	Confident	122 Å²	122	68.1 Å²	68.1	53%	0.53	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	152.6	155.4	-75	-173.3	-177.4	-172.9	0	110	L187 Y188 P190	K172-L187 CarbonylContact O-C 3.58Å; K172-L187 WeakPolarHBondContact O-CA 3.49Å; K172-Y188 HydrophobicContact CB-CD1 4.47Å; K172-Y188 HydrophobicContact CB-CE1 3.87Å; K172-Y188 PolarHBondContact N-O 3.38Å; K172-Y188 VanDerWaalsContact O-CD1 3.23Å; K172-Y188 WeakPolarHBondContact O-CD1 3.49Å; K172-Y188 PolarHBondContact O-N 3.4Å; K172-P190 HydrophobicContact CB-CG 4.31Å; K172-P190 HydrophobicContact CD-CG 3.77Å; K172-P190 HydrophobicContact CG-CG 3.72Å
173	L	91.8	Very high	79.9	Confident	25 Å²	25	67.5 Å²	67.5	13%	0.131	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.7	174.2	-169.4	66.7	0	0	0	109.8	F185 K186 L187 M232 L235 E236 L239	L173-F185 HydrophobicContact CD1-CB 4.39Å; L173-F185 HydrophobicContact CD1-CD2 3.73Å; L173-F185 HydrophobicContact CD1-CE2 4.45Å; L173-F185 HydrophobicContact CD1-CG 4.42Å; L173-K186 CarbonylContact C-O 3.52Å; L173-K186 WeakPolarHBondContact CA-O 3.39Å; L173-L187 HydrophobicContact CD1-CD1 4.14Å; L173-M232 HydrophobicContact CD1-SD 4.2Å; L173-M232 HydrophobicContact CD2-CB 4.19Å; L173-M232 HydrophobicContact CD2-CE 4.25Å; L173-M232 HydrophobicContact CD2-CG 4.37Å; L173-M232 HydrophobicContact CD2-SD 3.59Å; L173-M232 VanDerWaalsContact CD2-SD 3.59Å; L173-M232 HydrophobicContact CG-CE 4.48Å; L173-M232 HydrophobicContact CG-SD 3.77Å; L173-L235 HydrophobicContact CD1-CD1 4.08Å; L173-L235 HydrophobicContact CD2-CB 3.9Å; L173-E236 HydrophobicContact CD2-CG 3.81Å; L173-L239 HydrophobicContact CB-CD1 4.02Å
174	I	92.1	Very high	80.5	Confident	80 Å²	80	66.2 Å²	66.2	41%	0.41	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139	170.6	-171.4	163.3	0	0	0	110.8	F185 K186 Y188	I174-F185 CarbonylContact O-C 3.54Å; I174-F185 WeakPolarHBondContact O-CA 3.46Å; I174-K186 HydrophobicContact CG2-CB 3.85Å; I174-K186 HydrophobicContact CG2-CD 4.41Å; I174-K186 PolarHBondContact N-O 3.05Å; I174-K186 PolarHBondContact O-N 2.94Å; I174-Y188 HydrophobicContact CB-CE1 4.14Å; I174-Y188 HydrophobicContact CG2-CD1 4.09Å; I174-Y188 HydrophobicContact CG2-CE1 3.63Å
175	E	92	Very high	81	Confident	90 Å²	90	66.1 Å²	66.1	42%	0.421	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	150.7	171.2	-170.6	170.3	142.6	0	0	110.8	F183 R229 M232	E175-F183 HydrophobicContact CB-CZ 4.35Å; E175-F183 VanDerWaalsContact CD-CZ 3.48Å; E175-F183 HydrophobicContact CG-CE1 4.33Å; E175-F183 HydrophobicContact CG-CE2 3.74Å; E175-F183 HydrophobicContact CG-CZ 3.56Å; E175-F183 WeakPolarHBondContact OE1-CE2 3.43Å; E175-F183 VanDerWaalsContact OE2-CE2 3.26Å; E175-F183 WeakPolarHBondContact OE2-CE2 3.31Å; E175-F183 WeakPolarHBondContact OE2-CZ 3.28Å; E175-R229 IonicContact OE2-NH1 3.42Å; E175-M232 HydrophobicContact CB-CE 4.05Å
176	R	87	Confident	81.3	Confident	120 Å²	120	67.7 Å²	67.7	45%	0.453	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.4	179.8	-67.6	-68.9	-66.6	-178	-1.2	110.5	S178 C184 K186	R176-S178 PolarHBondContact O-N 3.01Å; R176-C184 HydrophobicContact CB-CB 4.09Å; R176-C184 PolarHBondContact N-O 2.93Å; R176-K186 HydrophobicContact CG-CB 3.8Å
177	P	77.5	Confident	81.6	Confident	125 Å²	125	67.7 Å²	67.7	81%	0.812	35%	0.35	S	S	*	.			trans	-61.3	130.2	178.5	24.9	-33.8	0	0	0	110.9
178	S	73.7	Confident	82	Confident	50 Å²	50	67 Å²	67	35%	0.35	34%	0.343	S	S	.	.			trans	-101.8	140.3	178.9	-172.2	0	0	0	0	110.9	R176 K180 G182	R176-S178 PolarHBondContact O-N 3.01Å; S178-K180 PolarHBondContact OG-N 3.38Å; S178-K180 PolarHBondContact OG-O 3.45Å; S178-G182 WeakPolarHBondContact CB-O 3.33Å; S178-G182 PolarHBondContact OG-O 2.88Å
179	K	61	Low	82.2	Confident	216 Å²	216	68.3 Å²	68.3	94%	0.939	35%	0.349	S	S	*	.	S	Bend	trans	-96.9	14.4	173.9	-65.4	-163.2	174.7	-164.4	0	113.6
180	K	62.8	Low	82.4	Confident	155 Å²	155	67.1 Å²	67.1	67%	0.674	34%	0.34	S	S	*	.	S	Bend	trans	-152	151.6	175.2	-68.6	-162.4	175.1	-160.5	0	109.1	S178 G182	S178-K180 PolarHBondContact OG-N 3.38Å; S178-K180 PolarHBondContact OG-O 3.45Å; K180-G182 PolarHBondContact O-N 2.78Å
181	D	59.4	Low	82.7	Confident	154 Å²	154	71.9 Å²	71.9	82%	0.824	36%	0.36	S	S	*	.	S	Bend	trans	-51.9	129.8	-173.1	-45.8	-67.7	0	0	0	113.4	R221	D181-R221 PolarHBondContact O-NH2 2.92Å
182	G	67.8	Low	82.4	Confident	20 Å²	20	78.1 Å²	78.1	21%	0.206	39%	0.388	C	S	.	.	S	Bend	trans	109.1	143.3	-175.9	0	0	0	0	0	113.8	S178 K180	S178-G182 WeakPolarHBondContact CB-O 3.33Å; S178-G182 PolarHBondContact OG-O 2.88Å; K180-G182 PolarHBondContact O-N 2.78Å
183	F	86.6	Confident	81.7	Confident	14 Å²	14	78.8 Å²	78.8	6%	0.061	39%	0.391	C	S	.	.			trans	-84.5	144.2	-166	-177.8	-81.3	0	0	0	112.8	E175 F185 R221 A222 E225 G228 R229 M232	E175-F183 HydrophobicContact CB-CZ 4.35Å; E175-F183 VanDerWaalsContact CD-CZ 3.48Å; E175-F183 HydrophobicContact CG-CE1 4.33Å; E175-F183 HydrophobicContact CG-CE2 3.74Å; E175-F183 HydrophobicContact CG-CZ 3.56Å; E175-F183 WeakPolarHBondContact OE1-CE2 3.43Å; E175-F183 VanDerWaalsContact OE2-CE2 3.26Å; E175-F183 WeakPolarHBondContact OE2-CE2 3.31Å; E175-F183 WeakPolarHBondContact OE2-CZ 3.28Å; F183-F185 HydrophobicContact CD1-CD1 4.09Å; F183-F185 HydrophobicContact CE1-CB 4.25Å; F183-F185 HydrophobicContact CE1-CD1 4.02Å; F183-R221 WeakPolarHBondContact O-CA 3.22Å; F183-A222 PolarHBondContact O-N 2.67Å; F183-E225 HydrophobicContact CB-CG 4.41Å; F183-E225 HydrophobicContact CD2-CG 4.02Å; F183-G228 VanDerWaalsContact CD1-CA 3.42Å; F183-R229 HydrophobicContact CE2-CG 4.14Å; F183-R229 HydrophobicContact CZ-CG 4.48Å; F183-M232 HydrophobicContact CE1-CG 3.54Å; F183-M232 HydrophobicContact CE1-SD 4.03Å; F183-M232 HydrophobicContact CZ-CE 4.38Å; F183-M232 HydrophobicContact CZ-CG 3.8Å; F183-M232 HydrophobicContact CZ-SD 4.23Å
184	C	92.5	Very high	81.1	Confident	9 Å²	9	80.9 Å²	80.9	6%	0.061	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.1	-179.1	-64.6	0	0	0	0	111.2	R176 F220	R176-C184 HydrophobicContact CB-CB 4.09Å; R176-C184 PolarHBondContact N-O 2.93Å; C184-F220 VanDerWaalsContact CA-O 3.27Å; C184-F220 WeakPolarHBondContact CA-O 3.4Å
185	F	93.8	Very high	80.5	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.4	175.4	56.6	-91.8	0	0	0	111.5	L130 L173 I174 F183 I219 F220 W231 M232 L235	L130-F185 HydrophobicContact CD1-CZ 3.95Å; L130-F185 HydrophobicContact CD2-CZ 4.4Å; L173-F185 HydrophobicContact CD1-CB 4.39Å; L173-F185 HydrophobicContact CD1-CD2 3.73Å; L173-F185 HydrophobicContact CD1-CE2 4.45Å; L173-F185 HydrophobicContact CD1-CG 4.42Å; I174-F185 CarbonylContact O-C 3.54Å; I174-F185 WeakPolarHBondContact O-CA 3.46Å; F183-F185 HydrophobicContact CD1-CD1 4.09Å; F183-F185 HydrophobicContact CE1-CB 4.25Å; F183-F185 HydrophobicContact CE1-CD1 4.02Å; F185-I219 WeakPolarHBondContact O-CA 3.16Å; F185-F220 HydrophobicContact CD1-CB 4.28Å; F185-F220 HydrophobicContact CD2-CB 3.88Å; F185-F220 AromaticContact CD2-CD2 3.71Å; F185-F220 HydrophobicContact CD2-CD2 3.71Å; F185-F220 HydrophobicContact CD2-CG 4.12Å; F185-F220 HydrophobicContact CE1-CB 3.92Å; F185-F220 HydrophobicContact CE2-CB 3.48Å; F185-F220 VanDerWaalsContact CE2-CB 3.48Å; F185-F220 HydrophobicContact CE2-CD1 4.42Å; F185-F220 AromaticContact CE2-CD2 3.39Å; F185-F220 HydrophobicContact CE2-CD2 3.39Å; F185-F220 HydrophobicContact CE2-CE2 4.18Å; F185-F220 AromaticContact CE2-CG 3.53Å; F185-F220 HydrophobicContact CE2-CG 3.53Å; F185-F220 HydrophobicContact CG-CB 4.27Å; F185-F220 HydrophobicContact CZ-CB 3.51Å; F185-F220 HydrophobicContact CZ-CD2 4.24Å; F185-F220 AromaticContact CZ-CG 3.91Å; F185-F220 HydrophobicContact CZ-CG 3.91Å; F185-F220 PolarHBondContact N-O 3.44Å; F185-F220 PolarHBondContact O-N 2.91Å; F185-W231 HydrophobicContact CE1-CB 3.78Å; F185-W231 HydrophobicContact CE1-CG 4.43Å; F185-W231 HydrophobicContact CZ-CB 3.8Å; F185-W231 HydrophobicContact CZ-CG 4.27Å; F185-M232 HydrophobicContact CB-CG 4.44Å; F185-M232 HydrophobicContact CB-SD 3.52Å; F185-M232 VanDerWaalsContact CB-SD 3.52Å; F185-M232 HydrophobicContact CD1-CG 4.46Å; F185-M232 HydrophobicContact CG-SD 4.09Å; F185-L235 HydrophobicContact CD2-CD1 4.2Å; F185-L235 HydrophobicContact CE2-CD1 3.5Å; F185-L235 VanDerWaalsContact CE2-CD1 3.5Å; F185-L235 HydrophobicContact CZ-CD1 4.07Å
186	K	93.4	Very high	80.2	Confident	43 Å²	43	75.2 Å²	75.2	19%	0.187	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.1	176.6	-175.6	-161.6	-174.7	-151.2	0	109.6	L173 I174 R176 Y188 Y217 L218 I219	L173-K186 CarbonylContact C-O 3.52Å; L173-K186 WeakPolarHBondContact CA-O 3.39Å; I174-K186 HydrophobicContact CG2-CB 3.85Å; I174-K186 HydrophobicContact CG2-CD 4.41Å; I174-K186 PolarHBondContact N-O 3.05Å; I174-K186 PolarHBondContact O-N 2.94Å; R176-K186 HydrophobicContact CG-CB 3.8Å; K186-Y188 HydrophobicContact CD-CD1 4.01Å; K186-Y188 HydrophobicContact CD-CG 4.16Å; K186-Y188 HydrophobicContact CG-CD1 4.25Å; K186-Y217 VanDerWaalsContact CE-CB 3.44Å; K186-Y217 VanDerWaalsContact CE-CG 3.48Å; K186-Y217 HydrophobicContact CG-CD2 4.45Å; K186-L218 VanDerWaalsContact CA-O 3.29Å; K186-L218 WeakPolarHBondContact CA-O 3.39Å; K186-L218 WeakPolarHBondContact CG-O 3.49Å; K186-I219 HydrophobicContact CB-CG1 4.26Å; K186-I219 HydrophobicContact CG-CG1 4.05Å
187	L	92.9	Very high	79.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.8	166.8	-170.4	72.9	0	0	0	107.6	I166 L168 C171 K172 L173 Y217 L218 F220	I166-L187 HydrophobicContact CG2-CD2 3.81Å; L168-L187 HydrophobicContact CD2-CD1 4.38Å; L168-L187 HydrophobicContact CD2-CD2 3.77Å; C171-L187 HydrophobicContact CB-CD1 3.6Å; C171-L187 HydrophobicContact CB-CD2 4.42Å; C171-L187 HydrophobicContact CB-CG 3.79Å; K172-L187 CarbonylContact O-C 3.58Å; K172-L187 WeakPolarHBondContact O-CA 3.49Å; L173-L187 HydrophobicContact CD1-CD1 4.14Å; L187-Y217 CarbonylContact O-C 3.49Å; L187-Y217 WeakPolarHBondContact O-CA 3.03Å; L187-Y217 WeakPolarHBondContact O-CB 3.27Å; L187-L218 PolarHBondContact N-O 2.91Å; L187-L218 PolarHBondContact O-N 2.77Å; L187-F220 HydrophobicContact CB-CE2 3.87Å; L187-F220 HydrophobicContact CD2-CE2 4.45Å
188	Y	90.6	Very high	79.1	Confident	56 Å²	56	70.1 Å²	70.1	22%	0.22	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.8	-171.6	69.3	-74.9	0	0	0	114.2	C171 K172 I174 K186 N216	C171-Y188 CarbonylContact C-O 3.6Å; C171-Y188 WeakPolarHBondContact CA-O 3.3Å; K172-Y188 HydrophobicContact CB-CD1 4.47Å; K172-Y188 HydrophobicContact CB-CE1 3.87Å; K172-Y188 PolarHBondContact N-O 3.38Å; K172-Y188 VanDerWaalsContact O-CD1 3.23Å; K172-Y188 WeakPolarHBondContact O-CD1 3.49Å; K172-Y188 PolarHBondContact O-N 3.4Å; I174-Y188 HydrophobicContact CB-CE1 4.14Å; I174-Y188 HydrophobicContact CG2-CD1 4.09Å; I174-Y188 HydrophobicContact CG2-CE1 3.63Å; K186-Y188 HydrophobicContact CD-CD1 4.01Å; K186-Y188 HydrophobicContact CD-CG 4.16Å; K186-Y188 HydrophobicContact CG-CD1 4.25Å; Y188-N216 WeakPolarHBondContact CA-O 3.42Å
189	H	88.2	Confident	78.6	Confident	28 Å²	28	73.6 Å²	73.6	13%	0.13	37%	0.368	C	S	.	.			trans	-76.4	128.4	170.6	-166.6	-77.8	0	0	0	110.6	A170 L191 E192 K193 I195 N216	A170-H189 PolarHBondContact O-CD2 3.33Å; H189-L191 VanDerWaalsContact C-N 3.34Å; H189-L191 PolarHBondContact ND1-N 3.09Å; H189-L191 PolarHBondContact O-N 3Å; H189-E192 PolarHBondContact ND1-N 3.19Å; H189-E192 PolarHBondContact O-N 2.81Å; H189-E192 VanDerWaalsContact O-N 3.12Å; H189-K193 WeakPolarHBondContact CB-O 3.43Å; H189-K193 PolarHBondContact ND1-N 2.83Å; H189-I195 HydrophobicContact CB-CG2 3.8Å; H189-N216 PolarHBondContact N-O 2.8Å
190	P	82.1	Confident	78.9	Confident	60 Å²	60	63.7 Å²	63.7	39%	0.39	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.2	-178.2	-26.5	36.6	0	0	0	114.3	K172	K172-P190 HydrophobicContact CB-CG 4.31Å; K172-P190 HydrophobicContact CD-CG 3.77Å; K172-P190 HydrophobicContact CG-CG 3.72Å
191	L	78	Confident	79	Confident	130 Å²	130	59.6 Å²	59.6	68%	0.681	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	27.6	175.6	-47.9	174.1	0	0	0	112.8	H189 K193	H189-L191 VanDerWaalsContact C-N 3.34Å; H189-L191 PolarHBondContact ND1-N 3.09Å; H189-L191 PolarHBondContact O-N 3Å; L191-K193 PolarHBondContact O-N 2.82Å
192	E	78.2	Confident	79.3	Confident	144 Å²	144	58.2 Å²	58.2	67%	0.673	30%	0.302	S	S	*	.	S	Bend	trans	55.7	14.1	175	-60.7	-141	147.5	0	0	118.1	H189 N216	H189-E192 PolarHBondContact ND1-N 3.19Å; H189-E192 PolarHBondContact O-N 2.81Å; H189-E192 VanDerWaalsContact O-N 3.12Å; E192-N216 WeakPolarHBondContact CB-ND2 3.49Å; E192-N216 WeakPolarHBondContact O-CB 3.29Å; E192-N216 PolarHBondContact O-ND2 3.34Å
193	K	73.4	Confident	78.8	Confident	136 Å²	136	59.3 Å²	59.3	59%	0.591	31%	0.314	S	S	*	.			trans	-73.7	168.3	173.6	-54.2	-172	177.7	-175.1	0	112.1	H189 L191 I195 N216	H189-K193 WeakPolarHBondContact CB-O 3.43Å; H189-K193 PolarHBondContact ND1-N 2.83Å; L191-K193 PolarHBondContact O-N 2.82Å; K193-I195 PolarHBondContact O-N 2.7Å; K193-N216 WeakPolarHBondContact O-CA 3.49Å; K193-N216 WeakPolarHBondContact O-CB 3.43Å
194	S	79.2	Confident	77.9	Confident	69 Å²	69	61.4 Å²	61.4	48%	0.483	32%	0.324	S	S	.	.			trans	-58.3	137.4	177.7	-173.2	0	0	0	0	112.1	W196 S215	S194-W196 PolarHBondContact OG-N 2.79Å; S194-S215 CarbonylContact C-O 3.59Å; S194-S215 VanDerWaalsContact CA-O 3.3Å; S194-S215 WeakPolarHBondContact CA-O 3.43Å
195	I	81.3	Confident	76.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.351	C	S	.	.			trans	-93.9	-7.6	170.8	61.8	166.7	0	0	0	112.8	I166 L167 C171 H189 K193 S215 L218	I166-I195 WeakPolarHBondContact CA-O 3.48Å; I166-I195 HydrophobicContact CD1-CD1 4.4Å; I166-I195 HydrophobicContact CG1-CD1 4.41Å; I166-I195 HydrophobicContact CG2-CB 4.18Å; I166-I195 HydrophobicContact CG2-CD1 4.09Å; I166-I195 HydrophobicContact CG2-CG1 4.35Å; L167-I195 PolarHBondContact N-O 3.15Å; C171-I195 VanDerWaalsContact SG-CG2 3.53Å; H189-I195 HydrophobicContact CB-CG2 3.8Å; K193-I195 PolarHBondContact O-N 2.7Å; I195-S215 WeakPolarHBondContact CG1-O 3.29Å; I195-S215 PolarHBondContact N-O 3.06Å; I195-L218 HydrophobicContact CD1-CG 4.31Å
196	W	83.8	Confident	74.4	Confident	51 Å²	51	71 Å²	71	19%	0.193	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-88.8	139.6	-173.3	-58.9	96.8	0	0	0	112.5	I153 T165 I166 S194 L213 P214 S215 L218	I153-W196 HydrophobicContact CD1-CH2 3.93Å; I153-W196 HydrophobicContact CD1-CZ3 4.08Å; T165-W196 WeakPolarHBondContact O-CA 3.23Å; I166-W196 HydrophobicContact CD1-CH2 4.16Å; I166-W196 HydrophobicContact CD1-CZ3 4.05Å; I166-W196 HydrophobicContact CG1-CD2 4.26Å; I166-W196 HydrophobicContact CG1-CE3 3.7Å; I166-W196 HydrophobicContact CG1-CH2 4.19Å; I166-W196 HydrophobicContact CG1-CZ3 3.65Å; S194-W196 PolarHBondContact OG-N 2.79Å; W196-L213 HydrophobicContact CH2-CB 4.49Å; W196-L213 HydrophobicContact CH2-CD1 3.7Å; W196-L213 HydrophobicContact CZ2-CB 3.89Å; W196-L213 HydrophobicContact CZ2-CD1 3.97Å; W196-P214 PolarHBondContact NE1-O 2.84Å; W196-S215 PolarHBondContact NE1-O 2.79Å; W196-L218 HydrophobicContact CH2-CD1 3.82Å; W196-L218 HydrophobicContact CZ2-CD1 3.9Å; W196-L218 HydrophobicContact CZ2-CD2 3.96Å; W196-L218 HydrophobicContact CZ2-CG 4.11Å
197	A	77.6	Confident	72.2	Confident	17 Å²	17	71.3 Å²	71.3	14%	0.14	39%	0.393	C	S	.	.			trans	-76.3	148.5	168.5	0	0	0	0	0	111	T165 L167 K199	T165-A197 HydrophobicContact CG2-CB 4.01Å; T165-A197 PolarHBondContact O-N 2.76Å; L167-A197 HydrophobicContact CD1-CB 4.32Å; L167-A197 HydrophobicContact CD2-CB 3.85Å; L167-A197 HydrophobicContact CG-CB 3.93Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 PolarHBondContact O-N 2.8Å
198	V	64.4	Low	70	Confident	120 Å²	120	76.5 Å²	76.5	73%	0.727	43%	0.429	S	S	*	.	S	Bend	trans	-73.3	-20.4	-177.8	-175.2	0	0	0	0	112.7
199	K	63.5	Low	67.8	Low	124 Å²	124	79.1 Å²	79.1	54%	0.539	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-132.5	150.3	-178.7	-65.8	-171.1	175.5	-171.6	0	113	A197 E204	A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 PolarHBondContact O-N 2.8Å; K199-E204 CarbonylContact C-O 3.56Å; K199-E204 VanDerWaalsContact CA-O 3.27Å; K199-E204 WeakPolarHBondContact CA-O 3.42Å
200	G	67.3	Low	66	Low	8 Å²	8	82.4 Å²	82.4	8%	0.082	47%	0.468	C	S	.	.			trans	-79.7	171.8	172.7	0	0	0	0	0	113.4	W162 K202 G203 E204	W162-G200 VanDerWaalsContact CH2-CA 3.43Å; W162-G200 VanDerWaalsContact CH2-N 3.31Å; G200-K202 VanDerWaalsContact C-N 3.26Å; G200-K202 PolarHBondContact O-N 2.78Å; G200-G203 PolarHBondContact O-N 3.05Å; G200-E204 PolarHBondContact N-O 2.98Å
201	P	65	Low	64.7	Low	68 Å²	68	84.2 Å²	84.2	44%	0.442	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.2	-172.9	27.5	-35.1	0	0	0	114.2	L152	L152-P201 HydrophobicContact CD2-CB 4.33Å; L152-P201 HydrophobicContact CD2-CG 4.2Å
202	K	65.7	Low	63.9	Low	125 Å²	125	80.3 Å²	80.3	54%	0.543	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13.8	171.5	-49.5	176.2	-174.8	167.6	0	112.9	D160 G200 E204	D160-K202 IonicContact OD1-NZ 3.32Å; D160-K202 PolarHBondContact OD1-NZ 3.1Å; G200-K202 VanDerWaalsContact C-N 3.26Å; G200-K202 PolarHBondContact O-N 2.78Å; K202-E204 VanDerWaalsContact C-N 3.32Å; K202-E204 HydrophobicContact CB-CG 4.22Å; K202-E204 WeakPolarHBondContact CB-OE2 3.47Å; K202-E204 PolarHBondContact N-OE2 3.16Å
203	G	57.6	Low	63.8	Low	43 Å²	43	75 Å²	75	44%	0.443	43%	0.43	S	S	.	.	S	Bend	trans	82.8	5	-174.1	0	0	0	0	0	114.7	G200	G200-G203 PolarHBondContact O-N 3.05Å
204	E	67.6	Low	64.2	Low	59 Å²	59	69.1 Å²	69.1	28%	0.276	41%	0.406	S	S	.	.			trans	-56.3	134.8	178.3	-61.2	131.7	134.2	0	0	111.4	W162 K199 G200 K202	W162-E204 HydrophobicContact CE3-CB 4.22Å; W162-E204 HydrophobicContact CZ3-CB 4.08Å; K199-E204 CarbonylContact C-O 3.56Å; K199-E204 VanDerWaalsContact CA-O 3.27Å; K199-E204 WeakPolarHBondContact CA-O 3.42Å; G200-E204 PolarHBondContact N-O 2.98Å; K202-E204 VanDerWaalsContact C-N 3.32Å; K202-E204 HydrophobicContact CB-CG 4.22Å; K202-E204 WeakPolarHBondContact CB-OE2 3.47Å; K202-E204 PolarHBondContact N-OE2 3.16Å
205	N	56.9	Low	64.2	Low	119 Å²	119	69.2 Å²	69.2	64%	0.636	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-72.8	151.7	165.7	-69.2	-26.9	0	0	0	109.3	G207	N205-G207 PolarHBondContact O-N 3.33Å
206	V	55.2	Low	64.3	Low	90 Å²	90	70.4 Å²	70.4	55%	0.545	41%	0.413	S	S	.	.			trans	-50.3	115.1	-175.7	-179.7	0	0	0	0	111.6	W162	W162-V206 HydrophobicContact CH2-CG2 4.17Å
207	G	48.4	Very low	64.7	Low	51 Å²	51	71.6 Å²	71.6	53%	0.526	42%	0.418	S	S	.	.			trans	-66.8	134.8	-175	0	0	0	0	0	112.7	N205	N205-G207 PolarHBondContact O-N 3.33Å
208	S	46.9	Very low	65.3	Low	108 Å²	108	70.8 Å²	70.8	76%	0.755	41%	0.411	S	S	*	.			trans	-61	151.2	163.8	52.4	0	0	0	0	110.3
209	I	44.4	Very low	66.7	Low	112 Å²	112	66 Å²	66	57%	0.574	38%	0.381	S	S	*	.			trans	69.9	112.7	177.2	-59.8	171.3	0	0	0	112.1	K155	K155-I209 PolarHBondContact NZ-O 3.46Å
210	T	48.6	Very low	68.1	Low	97 Å²	97	60.1 Å²	60.1	60%	0.595	36%	0.356	S	S	*	.	S	Bend	cis	-160.8	161.9	19.4	4	0	0	0	0	112.1
211	Q	54.8	Low	69.3	Low	97 Å²	97	62.1 Å²	62.1	45%	0.453	36%	0.361	S	S	.	.			trans	77.7	131.9	177.5	-49.1	-172.5	-1.4	0	0	115.8	T140 L213	T140-Q211 VanDerWaalsContact CB-OE1 3.3Å; T140-Q211 VanDerWaalsContact OG1-CD 3.27Å; T140-Q211 PolarHBondContact OG1-NE2 2.98Å; T140-Q211 VanDerWaalsContact OG1-NE2 3.14Å; T140-Q211 PolarHBondContact OG1-OE1 3.39Å; Q211-L213 PolarHBondContact O-N 2.85Å; Q211-L213 VanDerWaalsContact O-N 3.14Å
212	P	61.3	Low	70.5	Confident	48 Å²	48	59.1 Å²	59.1	31%	0.312	34%	0.342	S	S	.	.			trans	-77.3	102.4	175.1	31.4	-33	0	0	0	109.8	G134 S135 L136	G134-P212 WeakPolarHBondContact CA-O 3.31Å; S135-P212 WeakPolarHBondContact CB-O 3.41Å; S135-P212 PolarHBondContact N-O 3.43Å; S135-P212 PolarHBondContact OG-O 2.74Å; L136-P212 HydrophobicContact CD1-CG 4.05Å; L136-P212 HydrophobicContact CG-CG 3.92Å
213	L	76.6	Confident	71.5	Confident	34 Å²	34	57.5 Å²	57.5	18%	0.178	35%	0.352	C	S	.	.			trans	-85.3	146.7	162.4	-62.1	-177.4	0	0	0	109.2	I132 V163 W196 Q211 L218	I132-L213 HydrophobicContact CG2-CD2 3.96Å; V163-L213 HydrophobicContact CG1-CD1 4.4Å; W196-L213 HydrophobicContact CH2-CB 4.49Å; W196-L213 HydrophobicContact CH2-CD1 3.7Å; W196-L213 HydrophobicContact CZ2-CB 3.89Å; W196-L213 HydrophobicContact CZ2-CD1 3.97Å; Q211-L213 PolarHBondContact O-N 2.85Å; Q211-L213 VanDerWaalsContact O-N 3.14Å; L213-L218 HydrophobicContact CB-CD2 3.89Å; L213-L218 HydrophobicContact CD1-CD2 4.29Å; L213-L218 HydrophobicContact CD2-CD2 4.21Å; L213-L218 HydrophobicContact CG-CD2 4.35Å
214	P	81.5	Confident	72.9	Confident	11 Å²	11	57.2 Å²	57.2	7%	0.071	34%	0.343	C	S	.	.			trans	-67.8	148.1	179.1	-13.3	26.6	0	0	0	111.9	W196 Y217	W196-P214 PolarHBondContact NE1-O 2.84Å; P214-Y217 HydrophobicContact CB-CD1 4.22Å; P214-Y217 HydrophobicContact CB-CD2 4.39Å; P214-Y217 HydrophobicContact CB-CE1 3.96Å; P214-Y217 HydrophobicContact CB-CE2 4.13Å; P214-Y217 HydrophobicContact CB-CG 4.4Å; P214-Y217 WeakPolarHBondContact CB-O 3.12Å; P214-Y217 HydrophobicContact CG-CD2 4.2Å; P214-Y217 HydrophobicContact CG-CE1 4.32Å; P214-Y217 HydrophobicContact CG-CE2 3.67Å
215	S	80.8	Confident	73.8	Confident	72 Å²	72	59.6 Å²	59.6	50%	0.503	35%	0.354	S	S	.	.	S	Bend	trans	-72.9	-34.8	-176.2	51.2	0	0	0	0	113.4	S194 I195 W196	S194-S215 CarbonylContact C-O 3.59Å; S194-S215 VanDerWaalsContact CA-O 3.3Å; S194-S215 WeakPolarHBondContact CA-O 3.43Å; I195-S215 WeakPolarHBondContact CG1-O 3.29Å; I195-S215 PolarHBondContact N-O 3.06Å; W196-S215 PolarHBondContact NE1-O 2.79Å
216	N	83.1	Confident	75.1	Confident	25 Å²	25	57.8 Å²	57.8	13%	0.134	35%	0.351	C	S	.	.	S	Bend	trans	-114.5	-0.3	-168.7	62.8	-0.8	0	0	0	114.9	Y188 H189 E192 K193	Y188-N216 WeakPolarHBondContact CA-O 3.42Å; H189-N216 PolarHBondContact N-O 2.8Å; E192-N216 WeakPolarHBondContact CB-ND2 3.49Å; E192-N216 WeakPolarHBondContact O-CB 3.29Å; E192-N216 PolarHBondContact O-ND2 3.34Å; K193-N216 WeakPolarHBondContact O-CA 3.49Å; K193-N216 WeakPolarHBondContact O-CB 3.43Å
217	Y	90.8	Very high	76.7	Confident	75 Å²	75	55.9 Å²	55.9	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	160.4	169.9	70.6	-95	0	0	0	112.9	K186 L187 P214 I219	K186-Y217 VanDerWaalsContact CE-CB 3.44Å; K186-Y217 VanDerWaalsContact CE-CG 3.48Å; K186-Y217 HydrophobicContact CG-CD2 4.45Å; L187-Y217 CarbonylContact O-C 3.49Å; L187-Y217 WeakPolarHBondContact O-CA 3.03Å; L187-Y217 WeakPolarHBondContact O-CB 3.27Å; P214-Y217 HydrophobicContact CB-CD1 4.22Å; P214-Y217 HydrophobicContact CB-CD2 4.39Å; P214-Y217 HydrophobicContact CB-CE1 3.96Å; P214-Y217 HydrophobicContact CB-CE2 4.13Å; P214-Y217 HydrophobicContact CB-CG 4.4Å; P214-Y217 WeakPolarHBondContact CB-O 3.12Å; P214-Y217 HydrophobicContact CG-CD2 4.2Å; P214-Y217 HydrophobicContact CG-CE1 4.32Å; P214-Y217 HydrophobicContact CG-CE2 3.67Å; Y217-I219 HydrophobicContact CD2-CD1 4.49Å; Y217-I219 HydrophobicContact CD2-CG1 4.05Å; Y217-I219 HydrophobicContact CE2-CD1 4.08Å; Y217-I219 HydrophobicContact CE2-CG1 4.07Å
218	L	91.3	Very high	78.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.9	158	-69.3	177.4	0	0	0	111	I132 I153 I166 K186 L187 I195 W196 L213 F220	I132-L218 HydrophobicContact CD1-CD1 4.43Å; I132-L218 HydrophobicContact CG2-CB 4.33Å; I132-L218 HydrophobicContact CG2-CD1 4.05Å; I132-L218 HydrophobicContact CG2-CD2 3.73Å; I132-L218 HydrophobicContact CG2-CG 4.26Å; I153-L218 HydrophobicContact CD1-CD1 3.79Å; I166-L218 HydrophobicContact CD1-CD1 3.49Å; I166-L218 VanDerWaalsContact CD1-CD1 3.49Å; K186-L218 VanDerWaalsContact CA-O 3.29Å; K186-L218 WeakPolarHBondContact CA-O 3.39Å; K186-L218 WeakPolarHBondContact CG-O 3.49Å; L187-L218 PolarHBondContact N-O 2.91Å; L187-L218 PolarHBondContact O-N 2.77Å; I195-L218 HydrophobicContact CD1-CG 4.31Å; W196-L218 HydrophobicContact CH2-CD1 3.82Å; W196-L218 HydrophobicContact CZ2-CD1 3.9Å; W196-L218 HydrophobicContact CZ2-CD2 3.96Å; W196-L218 HydrophobicContact CZ2-CG 4.11Å; L213-L218 HydrophobicContact CB-CD2 3.89Å; L213-L218 HydrophobicContact CD1-CD2 4.29Å; L213-L218 HydrophobicContact CD2-CD2 4.21Å; L213-L218 HydrophobicContact CG-CD2 4.35Å; L218-F220 HydrophobicContact CB-CD2 4.2Å; L218-F220 HydrophobicContact CB-CE2 3.55Å; L218-F220 HydrophobicContact CB-CZ 3.78Å; L218-F220 HydrophobicContact CD1-CE1 4.18Å; L218-F220 HydrophobicContact CD1-CE2 4.28Å; L218-F220 HydrophobicContact CD1-CZ 3.63Å; L218-F220 HydrophobicContact CG-CZ 4.39Å
219	I	92.6	Very high	80.5	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.108	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123	167.8	-58.6	170.8	0	0	0	106.9	R133 W139 F185 K186 Y217	R133-I219 HydrophobicContact CB-CB 4.09Å; R133-I219 PolarHBondContact N-O 2.97Å; W139-I219 HydrophobicContact CH2-CG2 3.94Å; W139-I219 HydrophobicContact CZ3-CG2 4.44Å; F185-I219 WeakPolarHBondContact O-CA 3.16Å; K186-I219 HydrophobicContact CB-CG1 4.26Å; K186-I219 HydrophobicContact CG-CG1 4.05Å; Y217-I219 HydrophobicContact CD2-CD1 4.49Å; Y217-I219 HydrophobicContact CD2-CG1 4.05Å; Y217-I219 HydrophobicContact CE2-CD1 4.08Å; Y217-I219 HydrophobicContact CE2-CG1 4.07Å
220	F	93.6	Very high	82.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.2	178.9	-57.6	-95.7	0	0	0	109.9	L130 K131 I132 L151 I166 C184 F185 L187 L218	L130-F220 HydrophobicContact CB-CD1 4.09Å; L130-F220 HydrophobicContact CD1-CB 4.32Å; L130-F220 HydrophobicContact CD1-CD1 3.54Å; L130-F220 HydrophobicContact CD1-CE1 4.14Å; L130-F220 HydrophobicContact CD1-CG 4.18Å; L130-F220 HydrophobicContact CG-CD1 4.43Å; K131-F220 CarbonylContact O-C 3.59Å; K131-F220 WeakPolarHBondContact O-CA 3.27Å; I132-F220 HydrophobicContact CD1-CD1 4.05Å; I132-F220 HydrophobicContact CD1-CE1 3.63Å; I132-F220 HydrophobicContact CG1-CD1 3.79Å; I132-F220 HydrophobicContact CG1-CE1 3.92Å; L151-F220 HydrophobicContact CD2-CE1 4.12Å; L151-F220 HydrophobicContact CD2-CZ 3.75Å; I166-F220 HydrophobicContact CD1-CZ 4.5Å; C184-F220 VanDerWaalsContact CA-O 3.27Å; C184-F220 WeakPolarHBondContact CA-O 3.4Å; F185-F220 HydrophobicContact CD1-CB 4.28Å; F185-F220 HydrophobicContact CD2-CB 3.88Å; F185-F220 AromaticContact CD2-CD2 3.71Å; F185-F220 HydrophobicContact CD2-CD2 3.71Å; F185-F220 HydrophobicContact CD2-CG 4.12Å; F185-F220 HydrophobicContact CE1-CB 3.92Å; F185-F220 HydrophobicContact CE2-CB 3.48Å; F185-F220 VanDerWaalsContact CE2-CB 3.48Å; F185-F220 HydrophobicContact CE2-CD1 4.42Å; F185-F220 AromaticContact CE2-CD2 3.39Å; F185-F220 HydrophobicContact CE2-CD2 3.39Å; F185-F220 HydrophobicContact CE2-CE2 4.18Å; F185-F220 AromaticContact CE2-CG 3.53Å; F185-F220 HydrophobicContact CE2-CG 3.53Å; F185-F220 HydrophobicContact CG-CB 4.27Å; F185-F220 HydrophobicContact CZ-CB 3.51Å; F185-F220 HydrophobicContact CZ-CD2 4.24Å; F185-F220 AromaticContact CZ-CG 3.91Å; F185-F220 HydrophobicContact CZ-CG 3.91Å; F185-F220 PolarHBondContact N-O 3.44Å; F185-F220 PolarHBondContact O-N 2.91Å; L187-F220 HydrophobicContact CB-CE2 3.87Å; L187-F220 HydrophobicContact CD2-CE2 4.45Å; L218-F220 HydrophobicContact CB-CD2 4.2Å; L218-F220 HydrophobicContact CB-CE2 3.55Å; L218-F220 HydrophobicContact CB-CZ 3.78Å; L218-F220 HydrophobicContact CD1-CE1 4.18Å; L218-F220 HydrophobicContact CD1-CE2 4.28Å; L218-F220 HydrophobicContact CD1-CZ 3.63Å; L218-F220 HydrophobicContact CG-CZ 4.39Å
221	R	92.4	Very high	84.8	Confident	49 Å²	49	47.1 Å²	47.1	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.6	168.5	176.4	170.6	177.6	179	-1.5	109.5	K131 W139 D181 F183	K131-R221 HydrophobicContact CB-CB 4.22Å; K131-R221 PolarHBondContact N-O 2.86Å; K131-R221 PolarHBondContact O-N 2.93Å; W139-R221 HydrophobicContact CE3-CB 4.24Å; W139-R221 HydrophobicContact CH2-CB 3.78Å; W139-R221 HydrophobicContact CZ3-CB 3.55Å; D181-R221 PolarHBondContact O-NH2 2.92Å; F183-R221 WeakPolarHBondContact O-CA 3.22Å
222	A	91.4	Very high	86.4	Confident	6 Å²	6	43.5 Å²	43.5	5%	0.05	25%	0.247	C	C	.	.			trans	-81.5	174.1	175.6	0	0	0	0	0	111.4	L130 F183 D227	L130-A222 HydrophobicContact CD2-CB 4.31Å; F183-A222 PolarHBondContact O-N 2.67Å; A222-D227 HydrophobicContact CB-CB 3.86Å
223	A	85.7	Confident	87.7	Confident	90 Å²	90	45.8 Å²	45.8	74%	0.744	26%	0.257	S	S	*	.	S	Bend	trans	-77.6	-45.7	178	0	0	0	0	0	111.9
224	S	87.6	Confident	88.1	Confident	38 Å²	38	44.8 Å²	44.8	27%	0.266	25%	0.254	S	S	.	.	S	Bend	trans	-119.6	-178.5	174.6	68	0	0	0	0	112.6	S226 D227 G228	S224-S226 PolarHBondContact OG-OG 2.83Å; S224-S226 VanDerWaalsContact OG-OG 3.04Å; S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 PolarHBondContact N-OD2 3.33Å; S224-D227 WeakPolarHBondContact OG-CB 3.4Å; S224-D227 PolarHBondContact OG-N 3.02Å; S224-D227 PolarHBondContact OG-OD2 2.74Å; S224-G228 PolarHBondContact O-N 3.26Å
225	E	85.3	Confident	88.4	Confident	109 Å²	109	44.3 Å²	44.3	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-72	-44.2	169.9	-168.4	-175.3	146.1	0	0	112.1	F183 D227 G228 R229	F183-E225 HydrophobicContact CB-CG 4.41Å; F183-E225 HydrophobicContact CD2-CG 4.02Å; E225-D227 VanDerWaalsContact C-N 3.34Å; E225-D227 PolarHBondContact O-N 3.35Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.35Å; E225-R229 PolarHBondContact O-N 2.9Å; E225-R229 IonicContact OE1-CZ 3.28Å; E225-R229 IonicContact OE1-NE 2.6Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 IonicContact OE1-NH2 2.72Å; E225-R229 PolarHBondContact OE1-NH2 2.92Å
226	S	85.4	Confident	88.6	Confident	80 Å²	80	45.7 Å²	45.7	56%	0.559	25%	0.249	S	C	*	.	H	α-helix	trans	-59.2	-43.3	176.8	36.5	0	0	0	0	111.8	S224 G228 R229 C230	S224-S226 PolarHBondContact OG-OG 2.83Å; S224-S226 VanDerWaalsContact OG-OG 3.04Å; S226-G228 VanDerWaalsContact C-N 3.28Å; S226-G228 PolarHBondContact O-N 2.7Å; S226-R229 PolarHBondContact O-N 3.33Å; S226-C230 WeakPolarHBondContact O-CB 3.34Å; S226-C230 PolarHBondContact O-N 3.23Å; S226-C230 PolarHBondContact O-SG 2.69Å
227	D	87.6	Confident	88.5	Confident	51 Å²	51	48.3 Å²	48.3	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-41.8	172.8	-63.8	-49.2	0	0	0	111.7	A222 S224 E225 C230 W231	A222-D227 HydrophobicContact CB-CB 3.86Å; S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 PolarHBondContact N-OD2 3.33Å; S224-D227 WeakPolarHBondContact OG-CB 3.4Å; S224-D227 PolarHBondContact OG-N 3.02Å; S224-D227 PolarHBondContact OG-OD2 2.74Å; E225-D227 VanDerWaalsContact C-N 3.34Å; E225-D227 PolarHBondContact O-N 3.35Å; D227-C230 PolarHBondContact O-N 2.94Å; D227-W231 WeakPolarHBondContact O-CB 3.23Å; D227-W231 VanDerWaalsContact O-CD1 3.23Å; D227-W231 PolarHBondContact O-N 3.15Å
228	G	88.7	Confident	87.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-42.3	-179.7	0	0	0	0	0	112.9	F183 S224 E225 S226 W231 M232	F183-G228 VanDerWaalsContact CD1-CA 3.42Å; S224-G228 PolarHBondContact O-N 3.26Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.35Å; S226-G228 VanDerWaalsContact C-N 3.28Å; S226-G228 PolarHBondContact O-N 2.7Å; G228-W231 PolarHBondContact O-N 2.83Å; G228-M232 WeakPolarHBondContact O-CG 3.32Å; G228-M232 PolarHBondContact O-N 2.99Å
229	R	87.8	Confident	87.2	Confident	108 Å²	108	46 Å²	46	41%	0.408	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-44.2	174.4	-64.2	-172.6	-175.9	-65.3	-4.4	111.5	E175 F183 E225 S226 W231 M232 D233	E175-R229 IonicContact OE2-NH1 3.42Å; F183-R229 HydrophobicContact CE2-CG 4.14Å; F183-R229 HydrophobicContact CZ-CG 4.48Å; E225-R229 PolarHBondContact O-N 2.9Å; E225-R229 IonicContact OE1-CZ 3.28Å; E225-R229 IonicContact OE1-NE 2.6Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 IonicContact OE1-NH2 2.72Å; E225-R229 PolarHBondContact OE1-NH2 2.92Å; S226-R229 PolarHBondContact O-N 3.33Å; R229-W231 VanDerWaalsContact C-N 3.32Å; R229-W231 PolarHBondContact O-N 3.16Å; R229-M232 WeakPolarHBondContact O-CB 3.44Å; R229-M232 PolarHBondContact O-N 3.35Å; R229-M232 VanDerWaalsContact O-N 3.1Å; R229-D233 PolarHBondContact O-N 3.31Å
230	C	89.5	Confident	86	Confident	71 Å²	71	49 Å²	49	48%	0.48	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-41.2	173.4	-70.2	0	0	0	0	112.9	M126 S226 D227 A234	M126-C230 HydrophobicContact CE-CB 4.13Å; S226-C230 WeakPolarHBondContact O-CB 3.34Å; S226-C230 PolarHBondContact O-N 3.23Å; S226-C230 PolarHBondContact O-SG 2.69Å; D227-C230 PolarHBondContact O-N 2.94Å; C230-A234 VanDerWaalsContact O-CB 3.27Å; C230-A234 WeakPolarHBondContact O-CB 3.35Å; C230-A234 PolarHBondContact O-N 2.99Å
231	W	92.6	Very high	84.3	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-36.4	174.6	-89.5	106.5	0	0	0	112.8	M126 N128 L130 C144 L146 L151 F185 D227 G228 R229 L235	M126-W231 HydrophobicContact CE-CD2 3.88Å; M126-W231 HydrophobicContact CE-CG 3.8Å; M126-W231 HydrophobicContact CE-CZ2 4.42Å; M126-W231 HydrophobicContact CG-CD2 4.5Å; M126-W231 HydrophobicContact CG-CH2 4.26Å; M126-W231 HydrophobicContact CG-CZ2 4.21Å; M126-W231 HydrophobicContact CG-CZ3 4.43Å; M126-W231 HydrophobicContact SD-CD2 3.52Å; M126-W231 VanDerWaalsContact SD-CD2 3.52Å; M126-W231 HydrophobicContact SD-CE3 3.79Å; M126-W231 HydrophobicContact SD-CG 3.85Å; M126-W231 HydrophobicContact SD-CH2 4.46Å; M126-W231 HydrophobicContact SD-CZ2 4.25Å; M126-W231 HydrophobicContact SD-CZ3 4.25Å; N128-W231 HydrophobicContact CB-CZ2 3.93Å; L130-W231 HydrophobicContact CD1-CD2 3.86Å; L130-W231 HydrophobicContact CD1-CE3 4.04Å; L130-W231 HydrophobicContact CD1-CG 4.44Å; L130-W231 HydrophobicContact CD1-CH2 4.15Å; L130-W231 HydrophobicContact CD1-CZ2 3.96Å; L130-W231 HydrophobicContact CD1-CZ3 4.18Å; L130-W231 HydrophobicContact CD2-CD2 4.26Å; L130-W231 HydrophobicContact CD2-CG 4.16Å; L130-W231 HydrophobicContact CG-CD2 4.33Å; L130-W231 HydrophobicContact CG-CZ2 4.01Å; C144-W231 HydrophobicContact CB-CH2 3.73Å; C144-W231 HydrophobicContact CB-CZ2 4.25Å; C144-W231 HydrophobicContact CB-CZ3 4.45Å; L146-W231 HydrophobicContact CB-CZ3 4.19Å; L151-W231 HydrophobicContact CD1-CZ3 4.25Å; F185-W231 HydrophobicContact CE1-CB 3.78Å; F185-W231 HydrophobicContact CE1-CG 4.43Å; F185-W231 HydrophobicContact CZ-CB 3.8Å; F185-W231 HydrophobicContact CZ-CG 4.27Å; D227-W231 WeakPolarHBondContact O-CB 3.23Å; D227-W231 VanDerWaalsContact O-CD1 3.23Å; D227-W231 PolarHBondContact O-N 3.15Å; G228-W231 PolarHBondContact O-N 2.83Å; R229-W231 VanDerWaalsContact C-N 3.32Å; R229-W231 PolarHBondContact O-N 3.16Å; W231-L235 VanDerWaalsContact O-CB 3.3Å; W231-L235 WeakPolarHBondContact O-CB 3.32Å; W231-L235 WeakPolarHBondContact O-CD1 3.4Å; W231-L235 VanDerWaalsContact O-CG 3.24Å; W231-L235 WeakPolarHBondContact O-CG 3.29Å; W231-L235 PolarHBondContact O-N 2.99Å
232	M	89.9	Confident	82.4	Confident	21 Å²	21	49 Å²	49	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-54.9	174.6	-67.5	-95.7	-64.2	0	0	111.1	L173 E175 F183 F185 G228 R229 A234 L235 E236	L173-M232 HydrophobicContact CD1-SD 4.2Å; L173-M232 HydrophobicContact CD2-CB 4.19Å; L173-M232 HydrophobicContact CD2-CE 4.25Å; L173-M232 HydrophobicContact CD2-CG 4.37Å; L173-M232 HydrophobicContact CD2-SD 3.59Å; L173-M232 VanDerWaalsContact CD2-SD 3.59Å; L173-M232 HydrophobicContact CG-CE 4.48Å; L173-M232 HydrophobicContact CG-SD 3.77Å; E175-M232 HydrophobicContact CB-CE 4.05Å; F183-M232 HydrophobicContact CE1-CG 3.54Å; F183-M232 HydrophobicContact CE1-SD 4.03Å; F183-M232 HydrophobicContact CZ-CE 4.38Å; F183-M232 HydrophobicContact CZ-CG 3.8Å; F183-M232 HydrophobicContact CZ-SD 4.23Å; F185-M232 HydrophobicContact CB-CG 4.44Å; F185-M232 HydrophobicContact CB-SD 3.52Å; F185-M232 VanDerWaalsContact CB-SD 3.52Å; F185-M232 HydrophobicContact CD1-CG 4.46Å; F185-M232 HydrophobicContact CG-SD 4.09Å; G228-M232 WeakPolarHBondContact O-CG 3.32Å; G228-M232 PolarHBondContact O-N 2.99Å; R229-M232 WeakPolarHBondContact O-CB 3.44Å; R229-M232 PolarHBondContact O-N 3.35Å; R229-M232 VanDerWaalsContact O-N 3.1Å; M232-A234 VanDerWaalsContact C-N 3.28Å; M232-A234 PolarHBondContact O-N 2.92Å; M232-L235 PolarHBondContact O-N 2.91Å; M232-E236 PolarHBondContact O-N 3.19Å
233	D	86.9	Confident	80.2	Confident	96 Å²	96	53.6 Å²	53.6	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-53.2	-46	178.8	-74.1	15.7	0	0	0	111.2	R229 E236 L237	R229-D233 PolarHBondContact O-N 3.31Å; D233-E236 PolarHBondContact O-N 3.03Å; D233-L237 VanDerWaalsContact O-CG 3.28Å; D233-L237 WeakPolarHBondContact O-CG 3.26Å; D233-L237 PolarHBondContact O-N 2.52Å
234	A	85.9	Confident	78.2	Confident	14 Å²	14	55.5 Å²	55.5	12%	0.116	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-40.2	178.5	0	0	0	0	0	112.6	M126 L146 C230 M232 A238	M126-A234 HydrophobicContact CB-CB 4.44Å; M126-A234 HydrophobicContact SD-CB 4.01Å; L146-A234 HydrophobicContact CD2-CB 3.77Å; L146-A234 WeakPolarHBondContact CD2-O 3.35Å; C230-A234 VanDerWaalsContact O-CB 3.27Å; C230-A234 WeakPolarHBondContact O-CB 3.35Å; C230-A234 PolarHBondContact O-N 2.99Å; M232-A234 VanDerWaalsContact C-N 3.28Å; M232-A234 PolarHBondContact O-N 2.92Å; A234-A238 WeakPolarHBondContact O-CB 3.39Å; A234-A238 PolarHBondContact O-N 3.44Å
235	L	88	Confident	76.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-40.2	175.8	-79	165.9	0	0	0	112	L146 L151 L168 L173 F185 W231 M232 A238 L239	L146-L235 HydrophobicContact CD1-CD2 3.7Å; L146-L235 HydrophobicContact CD2-CD2 4.24Å; L146-L235 HydrophobicContact CD2-CG 4.32Å; L151-L235 HydrophobicContact CD2-CD2 4.44Å; L168-L235 HydrophobicContact CD1-CD2 4.37Å; L168-L235 HydrophobicContact CD2-CD2 4.11Å; L173-L235 HydrophobicContact CD1-CD1 4.08Å; L173-L235 HydrophobicContact CD2-CB 3.9Å; F185-L235 HydrophobicContact CD2-CD1 4.2Å; F185-L235 HydrophobicContact CE2-CD1 3.5Å; F185-L235 VanDerWaalsContact CE2-CD1 3.5Å; F185-L235 HydrophobicContact CZ-CD1 4.07Å; W231-L235 VanDerWaalsContact O-CB 3.3Å; W231-L235 WeakPolarHBondContact O-CB 3.32Å; W231-L235 WeakPolarHBondContact O-CD1 3.4Å; W231-L235 VanDerWaalsContact O-CG 3.24Å; W231-L235 WeakPolarHBondContact O-CG 3.29Å; W231-L235 PolarHBondContact O-N 2.99Å; M232-L235 PolarHBondContact O-N 2.91Å; L235-A238 PolarHBondContact O-N 3.26Å; L235-L239 VanDerWaalsContact O-CB 3.26Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CD1 3.46Å; L235-L239 WeakPolarHBondContact O-CG 3.31Å; L235-L239 PolarHBondContact O-N 3.27Å
236	E	84.8	Confident	74	Confident	102 Å²	102	63.6 Å²	63.6	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-36.8	176.6	-70	-173.9	-172	0	0	112.2	L173 M232 D233 L239 S240	L173-E236 HydrophobicContact CD2-CG 3.81Å; M232-E236 PolarHBondContact O-N 3.19Å; D233-E236 PolarHBondContact O-N 3.03Å; E236-L239 PolarHBondContact O-N 3.11Å; E236-S240 WeakPolarHBondContact O-CB 3.38Å; E236-S240 PolarHBondContact O-N 2.82Å; E236-S240 PolarHBondContact O-OG 3.44Å
237	L	80	Confident	71.5	Confident	79 Å²	79	68.3 Å²	68.3	41%	0.414	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-43.2	170.6	-71.1	167.8	0	0	0	112.2	L114 D233 S240 S241	L114-L237 HydrophobicContact CD2-CD1 4.25Å; D233-L237 VanDerWaalsContact O-CG 3.28Å; D233-L237 WeakPolarHBondContact O-CG 3.26Å; D233-L237 PolarHBondContact O-N 2.52Å; L237-S240 WeakPolarHBondContact CA-OG 3.5Å; L237-S240 PolarHBondContact O-OG 2.91Å; L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.37Å; L237-S241 PolarHBondContact O-OG 3.25Å
238	A	79.9	Confident	68.9	Low	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-69.2	-32.7	177.1	0	0	0	0	0	113.1	L146 L168 A234 L235	L146-A238 HydrophobicContact CD1-CB 3.8Å; L146-A238 HydrophobicContact CD2-CB 4.17Å; L146-A238 HydrophobicContact CG-CB 4.15Å; L168-A238 HydrophobicContact CD1-CB 3.79Å; A234-A238 WeakPolarHBondContact O-CB 3.39Å; A234-A238 PolarHBondContact O-N 3.44Å; L235-A238 PolarHBondContact O-N 3.26Å
239	L	75	Confident	66.3	Low	28 Å²	28	76.7 Å²	76.7	15%	0.147	42%	0.416	C	S	.	.	H	α-helix	trans	-67.5	-51.9	174	-78.2	163.1	0	0	0	111.3	L168 C171 L173 L235 E236 S241 S242	L168-L239 HydrophobicContact CB-CD2 3.84Å; L168-L239 HydrophobicContact CB-CG 4.41Å; L168-L239 WeakPolarHBondContact O-CD2 3.49Å; C171-L239 HydrophobicContact CB-CD2 4.31Å; L173-L239 HydrophobicContact CB-CD1 4.02Å; L235-L239 VanDerWaalsContact O-CB 3.26Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CD1 3.46Å; L235-L239 WeakPolarHBondContact O-CG 3.31Å; L235-L239 PolarHBondContact O-N 3.27Å; E236-L239 PolarHBondContact O-N 3.11Å; L239-S241 VanDerWaalsContact C-N 3.26Å; L239-S241 PolarHBondContact O-N 2.87Å; L239-S242 VanDerWaalsContact O-CB 3.31Å; L239-S242 WeakPolarHBondContact O-CB 3.33Å; L239-S242 PolarHBondContact O-N 2.8Å; L239-S242 VanDerWaalsContact O-N 3.08Å; L239-S242 PolarHBondContact O-OG 2.86Å
240	S	67.3	Low	63.6	Low	84 Å²	84	82.8 Å²	82.8	59%	0.587	44%	0.439	S	S	*	.	H	α-helix	trans	-66.1	-25.8	179.3	52	0	0	0	0	113.4	E236 L237 S242	E236-S240 WeakPolarHBondContact O-CB 3.38Å; E236-S240 PolarHBondContact O-N 2.82Å; E236-S240 PolarHBondContact O-OG 3.44Å; L237-S240 WeakPolarHBondContact CA-OG 3.5Å; L237-S240 PolarHBondContact O-OG 2.91Å; S240-S242 VanDerWaalsContact C-N 3.28Å; S240-S242 PolarHBondContact O-N 3.33Å
241	S	58.3	Low	60.9	Low	24 Å²	24	85.3 Å²	85.3	17%	0.168	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-72.7	-15	172.6	-59	0	0	0	0	114.3	L237 L239 S243 L244	L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.37Å; L237-S241 PolarHBondContact O-OG 3.25Å; L239-S241 VanDerWaalsContact C-N 3.26Å; L239-S241 PolarHBondContact O-N 2.87Å; S241-S243 PolarHBondContact O-N 2.75Å; S241-S243 VanDerWaalsContact O-N 3.16Å; S241-L244 PolarHBondContact O-N 2.86Å
242	S	52.3	Low	57.7	Low	25 Å²	25	94.3 Å²	94.3	18%	0.175	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-70.7	-12.6	-168.7	69.4	0	0	0	0	115.3	L239 S240 L244	L239-S242 VanDerWaalsContact O-CB 3.31Å; L239-S242 WeakPolarHBondContact O-CB 3.33Å; L239-S242 PolarHBondContact O-N 2.8Å; L239-S242 VanDerWaalsContact O-N 3.08Å; L239-S242 PolarHBondContact O-OG 2.86Å; S240-S242 VanDerWaalsContact C-N 3.28Å; S240-S242 PolarHBondContact O-N 3.33Å; S242-L244 PolarHBondContact O-N 2.89Å; S242-L244 VanDerWaalsContact O-N 3.14Å
243	S	46	Very low	54.8	Low	102 Å²	102	102.8 Å²	102.8	71%	0.713	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17.6	176	-55.5	0	0	0	0	114.6	S241	S241-S243 PolarHBondContact O-N 2.75Å; S241-S243 VanDerWaalsContact O-N 3.16Å
244	L	44.2	Very low	52.1	Low	130 Å²	130	107.1 Å²	107.1	68%	0.681	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-83.5	-12.5	-174.1	-70.9	167.1	0	0	0	114.8	S241 S242 K246	S241-L244 PolarHBondContact O-N 2.86Å; S242-L244 PolarHBondContact O-N 2.89Å; S242-L244 VanDerWaalsContact O-N 3.14Å; L244-K246 PolarHBondContact O-N 3.09Å; L244-K246 VanDerWaalsContact O-N 3.14Å
245	Y	44.1	Very low	49.4	Very low	124 Å²	124	110 Å²	110	49%	0.486	58%	0.581	S	S	.	*			trans	-82.8	19.1	-173.8	-79.6	-77.7	0	0	0	115.4	P148	P148-Y245 HydrophobicContact CB-CE2 4.07Å; P148-Y245 WeakPolarHBondContact CB-OH 3.49Å
246	K	40.3	Very low	46.5	Very low	192 Å²	192	117.2 Å²	117.2	84%	0.835	62%	0.619	S	S	*	*			trans	-96.1	32.6	178.8	-98.9	-167.3	176.8	-173.3	0	114.4	L244	L244-K246 PolarHBondContact O-N 3.09Å; L244-K246 VanDerWaalsContact O-N 3.14Å
247	M	33.1	Very low	43.9	Very low	179 Å²	179	119.6 Å²	119.6	88%	0.882	63%	0.634	S	S	*	*			trans	-137.5	138.5	164	-75	-61.1	161.2	0	0	111.2
248	S	31.4	Very low	41.2	Very low	103 Å²	103	120.8 Å²	120.8	72%	0.72	65%	0.647	S	S	*	*			trans	-135.6	132.2	170.6	-179.6	0	0	0	0	107.6	R250	S248-R250 PolarHBondContact O-N 3.19Å
249	P	34.5	Very low	38.6	Very low	125 Å²	125	129 Å²	129	81%	0.812	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-68.8	126.9	-179.1	28.5	-33.6	0	0	0	110.4
250	R	30.7	Very low	36.3	Very low	236 Å²	236	131.7 Å²	131.7	89%	0.891	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-92.4	142.8	163.5	-71.3	-179.2	173.3	173.9	-2.8	108.9	S248	S248-R250 PolarHBondContact O-N 3.19Å
251	P	33.5	Very low	34.4	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-67.2	160.2	163.4	31.7	-34.6	0	0	0	110.5
252	E	25.9	Very low	32.9	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-77	151.4	-164.5	-62.5	145.6	131.6	0	0	114.7
253	K	29.1	Very low	31.7	Very low	199 Å²	199	144.1 Å²	144.1	87%	0.865	79%	0.79	S	S	*	*			trans	-158	147.6	135.8	-111.6	175.8	-178.5	-173.2	0	109.9
254	E	28.9	Very low	30.9	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	79%	0.789	S	S	*	*			trans	-72.1	159.5	-168.6	-55.2	107.8	125.2	0	0	114.2
255	G	29.5	Very low	30.1	Very low	74 Å²	74	147 Å²	147	76%	0.763	80%	0.799	S	S	*	*			trans	161.6	35	177.1	0	0	0	0	0	119.6
256	D	28	Very low	29.2	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	82%	0.818	S	S	*	*			trans	50.3	134.9	153	-76.4	-26.2	0	0	0	125.7
257	I	29.8	Very low	28.6	Very low	151 Å²	151	148.2 Å²	148.2	77%	0.774	82%	0.82	S	S	*	*			trans	69.2	74.7	144.4	-54.1	163.2	0	0	0	119.3
258	C	23.8	Very low	28.2	Very low	104 Å²	104	148.6 Å²	148.6	70%	0.703	82%	0.82	S	S	*	*				8.7	131.2	121	-147.9	0	0	0	0	120.6
259	M	25.2	Very low	27.9	Very low	172 Å²	172	151.9 Å²	151.9	85%	0.847	83%	0.829	S	S	*	*				-172.8	162.6	102.6	-97.6	-57.3	-73.6	0	0	114.2
260	A	26.3	Very low	27.4	Very low	85 Å²	85	153.3 Å²	153.3	70%	0.702	83%	0.828	S	S	*	*			trans	-89.8	163.1	-163.2	0	0	0	0	0	116.7
261	S	27.5	Very low	27.2	Very low	121 Å²	121	150.3 Å²	150.3	85%	0.846	82%	0.824	S	S	*	*				-166.5	162.4	114.3	-156.8	0	0	0	0	113
262	D	26.2	Very low	26.8	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	82%	0.82	S	S	*	*			trans	-83	148.5	178.3	-78.5	-64.3	0	0	0	113.6
263	S	28.1	Very low	26.6	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	81%	0.814	S	S	*	*				-179.2	146.6	110.7	39.7	0	0	0	0	112.3
264	S	29.1	Very low	27.1	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	81%	0.807	S	S	*	*			trans	-101.6	147.4	172.6	58	0	0	0	0	110.2
265	H	26.5	Very low	26.9	Very low	192 Å²	192	140 Å²	140	89%	0.889	81%	0.806	S	S	*	*			trans	-178.9	94.2	146.6	-90.6	-54.5	0	0	0	111.9
266	I	26.6	Very low	26.7	Very low	173 Å²	173	142.9 Å²	142.9	89%	0.887	81%	0.809	S	S	*	*			trans	-139	95.9	154	-58.1	-177.3	0	0	0	108.5
267	L	26.7	Very low	26.6	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	80%	0.804	S	S	*	*			trans	-158.8	52	160.9	-133.4	-175.3	0	0	0	113.4
268	Q	25.6	Very low	26.3	Very low	187 Å²	187	139 Å²	139	87%	0.874	81%	0.807	S	S	*	*			trans	-161.8	121	163.1	-118.6	165.7	-11	0	0	111.4
269	L	24.9	Very low	26.3	Very low	173 Å²	173	141.7 Å²	141.7	91%	0.906	81%	0.809	S	S	*	*			trans	-171.2	126.3	134.6	-104.1	164.2	0	0	0	109.2
270	L	22.9	Very low	26.3	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	80%	0.801	S	S	*	*			trans	-131.4	162.7	169.7	-95.9	171	0	0	0	106.9
271	Q	26	Very low	26.2	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	81%	0.805	S	S	*	*			trans	73.1	87.1	163.8	-67.9	163.3	-26.8	0	0	118.7
272	S	25.9	Very low	26.1	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	81%	0.805	S	S	*	*				52.7	129.7	112.2	63.5	0	0	0	0	123.6
273	S	22	Very low	25.9	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	80%	0.804	S	S	*	*			trans	77.8	161.2	140.6	-61.7	0	0	0	0	119.7
274	P	39.5	Very low	25.7	Very low	111 Å²	111	146.6 Å²	146.6	72%	0.721	80%	0.795	S	S	*	*			cis	-142.1	169.8	-33.5	37.9	-20.1	0	0	0	116.8
275	L	24.6	Very low	25.5	Very low	164 Å²	164	149.3 Å²	149.3	86%	0.859	80%	0.796	S	S	*	*			trans	46.7	124.6	144.6	-71.3	168.6	0	0	0	124.6
276	T	25.4	Very low	25.5	Very low	135 Å²	135	147 Å²	147	83%	0.828	79%	0.788	S	S	*	*				-170.7	133.4	122.3	28.6	0	0	0	0	108
277	A	25.4	Very low	25.5	Very low	85 Å²	85	145.3 Å²	145.3	70%	0.702	78%	0.776	S	S	*	*				60	126.4	74	0	0	0	0	0	113.3
278	T	24.2	Very low	25.4	Very low	137 Å²	137	144.3 Å²	144.3	84%	0.84	77%	0.767	S	S	*	*			cis	-146.4	-154.3	6.9	-25.3	0	0	0	0	109
279	E	24.3	Very low	25.4	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	76%	0.763	S	S	*	*			cis	-148.6	162.6	12.3	-77.3	-163.3	82.4	0	0	113.1
280	L	24.8	Very low	25.5	Very low	130 Å²	130	137.4 Å²	137.4	68%	0.681	75%	0.753	S	S	*	*			trans	14.3	152.9	137.4	-51.4	176.7	0	0	0	122.4
281	Q	24.1	Very low	25.7	Very low	169 Å²	169	135.6 Å²	135.6	79%	0.79	75%	0.753	S	S	*	*			cis	-159.4	-178.3	-2	-132.2	164.1	-24.1	0	0	113.4
282	Q	25.2	Very low	25.7	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	75%	0.749	S	S	*	*			trans	-102.2	161.4	178	-56.1	164.8	-69.7	0	0	113
283	L	22.9	Very low	25.8	Very low	154 Å²	154	132.8 Å²	132.8	81%	0.806	74%	0.744	S	S	*	*			trans	177.1	130.9	131	-96.8	161.5	0	0	0	116.6
284	N	23.9	Very low	26.2	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	74%	0.74	S	S	*	*			trans	63.2	139	140.9	-78.8	10.9	0	0	0	128.2
285	H	25	Very low	25.7	Very low	158 Å²	158	134.6 Å²	134.6	73%	0.731	74%	0.738	S	S	*	*			trans	67.6	141.3	151.5	-77.2	-60.3	0	0	0	119.1
286	M	25.4	Very low	25.8	Very low	144 Å²	144	135.1 Å²	135.1	71%	0.709	74%	0.736	S	S	*	*			cis	-158	167	23.6	-115.8	149.6	84.7	0	0	109.5
287	E	26.6	Very low	26	Very low	137 Å²	137	138.1 Å²	138.1	64%	0.64	73%	0.733	S	S	*	*			cis	-162.3	-145.6	-4.1	-146.7	161	-135.2	0	0	112
288	H	25.6	Very low	26	Very low	147 Å²	147	141.4 Å²	141.4	68%	0.681	73%	0.734	S	S	*	*			trans	-16.2	151	167.1	-73.9	-79	0	0	0	120.7
289	D	25.7	Very low	26.1	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	73%	0.734	S	S	*	*			cis	-154.7	166.1	-0.5	-96.9	-39.4	0	0	0	108.2
290	G	26.5	Very low	26.4	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	73%	0.733	S	S	*	*			cis	-173.3	175.4	2	0	0	0	0	0	111.5
291	S	27.1	Very low	26.6	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	74%	0.741	S	S	*	*			trans	-54.4	147.6	-173.1	42.7	0	0	0	0	117
292	S	26.6	Very low	27.1	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	73%	0.732	S	S	*	*				71.4	141.1	58.2	-142	0	0	0	0	113.1
293	D	27.4	Very low	27.2	Very low	113 Å²	113	140.6 Å²	140.6	60%	0.604	73%	0.733	S	S	*	*			cis	-160.2	170.9	11.4	-154.6	-6.8	0	0	0	112.9
294	K	29.7	Very low	27.7	Very low	162 Å²	162	140.1 Å²	140.1	70%	0.704	73%	0.727	S	S	*	*			trans	49.2	126.6	148	-86.2	164.8	-164	123.4	0	126.1
295	S	29	Very low	27.9	Very low	97 Å²	97	139 Å²	139	68%	0.678	72%	0.724	S	S	*	*				81.5	154.1	121.7	71.8	0	0	0	0	123.9
296	E	27.4	Very low	28.1	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	73%	0.731	S	S	*	*			trans	67	165.9	164.9	-72.2	178.2	-169.5	0	0	117
297	R	29.2	Very low	28.3	Very low	198 Å²	198	135.9 Å²	135.9	75%	0.747	73%	0.727	S	S	*	*				-167.5	148.4	-51.8	-129	-177.2	-173.6	-144.7	18.3	107.6
298	E	26.3	Very low	28.4	Very low	155 Å²	155	136.4 Å²	136.4	72%	0.724	73%	0.734	S	S	*	*			trans	66.2	163.4	156.4	-67.6	167.2	-141.6	0	0	120.7
299	A	25.9	Very low	28.7	Very low	104 Å²	104	136.3 Å²	136.3	86%	0.86	73%	0.734	S	S	*	*			trans	76.2	127.7	161.7	0	0	0	0	0	122.9
300	H	31.1	Very low	29	Very low	155 Å²	155	135.9 Å²	135.9	72%	0.718	73%	0.732	S	S	*	*			trans	-44.4	162.6	160.9	-90.7	-107.6	0	0	0	116.5	D302	H300-D302 IonicContact CE1-OD2 3.06Å; H300-D302 IonicContact ND1-OD2 2.81Å; H300-D302 PolarHBondContact ND1-OD2 3.16Å
301	D	27.4	Very low	29.1	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	74%	0.737	S	S	*	*				-148.4	146.1	114	-112.2	-18	0	0	0	111.4
302	D	34.4	Very low	29.1	Very low	113 Å²	113	134.9 Å²	134.9	60%	0.604	74%	0.74	S	S	*	*			trans	-116.1	157.4	179.2	-100.1	-59.4	0	0	0	110.3	H300	H300-D302 IonicContact CE1-OD2 3.06Å; H300-D302 IonicContact ND1-OD2 2.81Å; H300-D302 PolarHBondContact ND1-OD2 3.16Å
303	W	27.7	Very low	29.3	Very low	226 Å²	226	141.3 Å²	141.3	86%	0.856	75%	0.748	S	S	*	*			trans	-139.1	109.8	157.2	-76.8	83.9	0	0	0	108
304	E	33.1	Very low	29.4	Very low	144 Å²	144	143.7 Å²	143.7	67%	0.673	76%	0.76	S	S	*	*				71.8	132.8	78.4	-78.8	-77.3	138.8	0	0	112.3
305	T	29.3	Very low	29.3	Very low	100 Å²	100	140.9 Å²	140.9	61%	0.613	76%	0.757	S	S	*	*			cis	-143.1	-179.4	-3.9	-24.7	0	0	0	0	105.3
306	M	29.4	Very low	29.4	Very low	176 Å²	176	145 Å²	145	87%	0.867	77%	0.765	S	S	*	*			cis	-164.4	157.2	16	-168.2	170.5	-69.1	0	0	107.1
307	G	28.9	Very low	29.6	Very low	61 Å²	61	145.7 Å²	145.7	63%	0.629	77%	0.769	S	S	*	*			cis	156.4	-169.6	-1.1	0	0	0	0	0	109.7
308	N	29.3	Very low	29.5	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	77%	0.771	S	S	*	*			trans	66.7	150.4	-178.4	-106.6	32.7	0	0	0	115.3
309	E	32.2	Very low	29.8	Very low	145 Å²	145	141.9 Å²	141.9	68%	0.678	78%	0.777	S	S	*	*			cis	-149.8	-142	-7.6	-151.3	-165.6	-96.5	0	0	112
310	N	30.1	Very low	30.1	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	78%	0.778	S	S	*	*			trans	-75.3	159.1	-172.8	-64.1	-55.1	0	0	0	114.3
311	G	28.9	Very low	30.1	Very low	78 Å²	78	146.4 Å²	146.4	80%	0.804	79%	0.785	S	S	*	*			cis	126.8	99.6	-0.5	0	0	0	0	0	113.4
312	G	27.2	Very low	30.6	Very low	85 Å²	85	144.8 Å²	144.8	88%	0.876	78%	0.782	S	S	*	*			trans	175.5	145.7	175.5	0	0	0	0	0	114.2
313	R	31.5	Very low	30.6	Very low	237 Å²	237	144.6 Å²	144.6	89%	0.894	79%	0.79	S	S	*	*			trans	-147.8	111.6	-174.9	175.6	-169.2	174.6	-176.3	-0.1	112.5
314	L	29.3	Very low	31.1	Very low	163 Å²	163	142.5 Å²	142.5	85%	0.853	79%	0.79	S	S	*	*			trans	-153.3	112.5	163.4	-73.7	-176.8	0	0	0	106.5
315	T	27.4	Very low	31.3	Very low	103 Å²	103	144.4 Å²	144.4	63%	0.632	80%	0.799	S	S	*	*				71.6	93.1	83	61	0	0	0	0	116
316	E	31.7	Very low	31.6	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	81%	0.809	S	S	*	*			trans	64.7	137.1	132.9	-71.7	167.2	162.1	0	0	123.7
317	E	30.8	Very low	32.2	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	80%	0.799	S	S	*	*			trans	53	115.6	155.4	-62.3	-171.5	158.7	0	0	122.6
318	S	26.7	Very low	33.1	Very low	113 Å²	113	147 Å²	147	79%	0.79	81%	0.807	S	S	*	*				-170	121.9	109.7	67.1	0	0	0	0	113.7
319	D	34.2	Very low	34.4	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	80%	0.796	S	S	*	*			trans	9.5	126.5	157.6	-52.3	-34.5	0	0	0	122.6
320	I	32.4	Very low	36	Very low	174 Å²	174	138.3 Å²	138.3	89%	0.892	78%	0.781	S	S	*	*			trans	-133.9	140.5	137.7	-63.7	-175.2	0	0	0	107.5
321	E	30.4	Very low	38.2	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.8	150.4	-170.9	-64.9	-174.7	134.2	0	0	115	S323	E321-S323 PolarHBondContact O-N 3.32Å
322	P	37.1	Very low	41.1	Very low	122 Å²	122	137 Å²	137	79%	0.792	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-72.3	116.6	174.1	30.1	-33.9	0	0	0	111.3	E324	P322-E324 PolarHBondContact O-N 3.12Å
323	S	35.1	Very low	44.1	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.8	130	161.6	55	0	0	0	0	109.7	E321 E325	E321-S323 PolarHBondContact O-N 3.32Å; S323-E325 PolarHBondContact O-N 3.01Å; S323-E325 VanDerWaalsContact O-N 3.14Å
324	E	37.8	Very low	46.9	Very low	182 Å²	182	124.6 Å²	124.6	85%	0.85	70%	0.696	S	S	*	*			trans	-42.4	116	-171.2	-65.4	-173.2	129.4	0	0	113.2	P322 M326	P322-E324 PolarHBondContact O-N 3.12Å; E324-M326 PolarHBondContact O-N 3.05Å
325	E	36.9	Very low	49.9	Very low	184 Å²	184	118.5 Å²	118.5	86%	0.86	66%	0.662	S	S	*	*			trans	-63.6	112.2	170.6	-72.5	-166.5	143.8	0	0	109.1	S323	S323-E325 PolarHBondContact O-N 3.01Å; S323-E325 VanDerWaalsContact O-N 3.14Å
326	M	35.7	Very low	53	Low	169 Å²	169	116.2 Å²	116.2	83%	0.833	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-51.3	124.6	164.3	-79.5	-74.8	-67.1	0	0	108.3	E324	E324-M326 PolarHBondContact O-N 3.05Å
327	P	42.5	Very low	55.8	Low	102 Å²	102	112 Å²	112	66%	0.662	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-58.4	137.7	-175.2	23.4	-33.6	0	0	0	109.7	G329	P327-G329 PolarHBondContact O-N 2.89Å
328	P	48.4	Very low	58.1	Low	120 Å²	120	105.3 Å²	105.3	78%	0.779	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-56.6	129.1	-175.1	22	-33	0	0	0	110.1
329	G	56.3	Low	59.8	Low	55 Å²	55	104.9 Å²	104.9	57%	0.567	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-55.6	152.5	-178.3	0	0	0	0	0	112.1	P327 Q331	P327-G329 PolarHBondContact O-N 2.89Å; G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 VanDerWaalsContact O-N 3.16Å
330	P	65.8	Low	60.7	Low	55 Å²	55	103.3 Å²	103.3	36%	0.357	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-55.1	124.1	-175.1	22.5	-33.5	0	0	0	110.8	A332 V712 F714	P330-A332 PolarHBondContact O-N 3.28Å; P330-V712 HydrophobicContact CG-CG1 4.24Å; P330-F714 HydrophobicContact CB-CD1 4Å; P330-F714 HydrophobicContact CB-CD2 4.46Å; P330-F714 HydrophobicContact CB-CE1 3.84Å; P330-F714 HydrophobicContact CB-CE2 4.32Å; P330-F714 HydrophobicContact CB-CG 4.31Å; P330-F714 HydrophobicContact CB-CZ 4.02Å
331	Q	76.9	Confident	61.9	Low	136 Å²	136	97.7 Å²	97.7	64%	0.636	56%	0.56	S	S	*	*			trans	-73.2	67.8	179.5	-67.5	-177.3	-8.9	0	0	111.1	G329 K716	G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 VanDerWaalsContact O-N 3.16Å; Q331-K716 WeakPolarHBondContact O-CD 3.31Å; Q331-K716 VanDerWaalsContact O-CE 3.32Å; Q331-K716 WeakPolarHBondContact O-CE 3.26Å; Q331-K716 VanDerWaalsContact O-CG 3.3Å; Q331-K716 WeakPolarHBondContact O-CG 3.14Å
332	A	88.1	Confident	62.9	Low	53 Å²	53	95 Å²	95	44%	0.438	55%	0.552	S	S	.	*			trans	-74.2	155.6	176	0	0	0	0	0	111.9	P330 F714 E715	P330-A332 PolarHBondContact O-N 3.28Å; A332-F714 HydrophobicContact CB-CB 3.93Å; A332-F714 HydrophobicContact CB-CD2 3.98Å; A332-F714 HydrophobicContact CB-CG 4.3Å; A332-E715 CarbonylContact C-O 3.6Å; A332-E715 VanDerWaalsContact CA-O 3.31Å; A332-E715 WeakPolarHBondContact CA-O 3.41Å
333	T	91	Very high	63.8	Low	20 Å²	20	91.7 Å²	91.7	12%	0.123	53%	0.526	C	S	.	.			trans	-63.7	137.6	170.7	-57.9	0	0	0	0	110.6	Y335 R449 V629 E715 D717	T333-Y335 HydrophobicContact CG2-CE2 4.33Å; T333-Y335 VanDerWaalsContact O-CD2 3.29Å; T333-Y335 WeakPolarHBondContact O-CD2 3.29Å; T333-Y335 PolarHBondContact O-N 3.02Å; T333-R449 PolarHBondContact OG1-NH1 2.8Å; T333-V629 HydrophobicContact CG2-CB 4.26Å; T333-V629 HydrophobicContact CG2-CG1 3.7Å; T333-V629 HydrophobicContact CG2-CG2 3.61Å; T333-E715 WeakPolarHBondContact CB-OE2 3.31Å; T333-E715 PolarHBondContact N-O 2.97Å; T333-E715 PolarHBondContact OG1-OE2 2.98Å; T333-D717 PolarHBondContact OG1-N 2.76Å
334	A	90.4	Very high	64.8	Low	42 Å²	42	87.1 Å²	87.1	35%	0.347	50%	0.495	S	S	.	.			trans	-79	105.7	176.5	0	0	0	0	0	111.5
335	Y	92.6	Very high	65.7	Low	35 Å²	35	86 Å²	86	14%	0.137	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.8	172.6	-68.9	-88.4	0	0	0	111.6	T333 C451 F462 V628 V629 E715	T333-Y335 HydrophobicContact CG2-CE2 4.33Å; T333-Y335 VanDerWaalsContact O-CD2 3.29Å; T333-Y335 WeakPolarHBondContact O-CD2 3.29Å; T333-Y335 PolarHBondContact O-N 3.02Å; Y335-C451 HydrophobicContact CE1-CB 4.5Å; Y335-F462 HydrophobicContact CE2-CE1 4.4Å; Y335-V628 CarbonylContact C-O 3.56Å; Y335-V628 WeakPolarHBondContact CA-O 3.44Å; Y335-V629 HydrophobicContact CD1-CG2 4.01Å; Y335-V629 HydrophobicContact CE1-CG2 3.63Å; Y335-E715 HydrophobicContact CE2-CB 4.22Å; Y335-E715 WeakPolarHBondContact OH-CG 3.46Å; Y335-E715 PolarHBondContact OH-OE2 3.19Å
336	V	92.6	Very high	66.9	Low	55 Å²	55	80.6 Å²	80.6	33%	0.333	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141	175.9	-70.4	0	0	0	0	111.4	Q338 Q627 V628 Q630	V336-Q338 PolarHBondContact O-N 3.2Å; V336-Q627 CarbonylContact O-C 3.49Å; V336-Q627 WeakPolarHBondContact O-CA 3.44Å; V336-Q627 WeakPolarHBondContact O-CB 3.48Å; V336-V628 WeakPolarHBondContact CG2-O 3.19Å; V336-V628 PolarHBondContact N-O 3.04Å; V336-V628 PolarHBondContact O-N 3.07Å; V336-Q630 HydrophobicContact CB-CG 4.46Å; V336-Q630 HydrophobicContact CG1-CG 3.66Å; V336-Q630 HydrophobicContact CG2-CG 3.92Å
337	E	90.1	Very high	67.9	Low	96 Å²	96	73 Å²	73	45%	0.449	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	126.7	174.7	179.9	171.8	163.6	0	0	110.7	K625 Q627	E337-K625 HydrophobicContact CG-CB 4.1Å; E337-K625 VanDerWaalsContact OE1-CD 3.3Å; E337-K625 WeakPolarHBondContact OE1-CD 3.44Å; E337-K625 WeakPolarHBondContact OE1-CE 3.39Å; E337-K625 IonicContact OE1-NZ 2.72Å; E337-K625 PolarHBondContact OE1-NZ 3.41Å; E337-Q627 HydrophobicContact CB-CG 4.47Å
338	Q	79.5	Confident	68.7	Low	48 Å²	48	71.1 Å²	71.1	22%	0.224	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-77.4	132.5	-178.2	-162.1	168.7	41.4	0	0	111.1	V336 R626 V628 E640	V336-Q338 PolarHBondContact O-N 3.2Å; Q338-R626 PolarHBondContact N-O 3.25Å; Q338-V628 HydrophobicContact CB-CG2 4.31Å; Q338-V628 HydrophobicContact CG-CG2 4.31Å; Q338-E640 PolarHBondContact NE2-OE1 3.29Å
339	S	61.4	Low	69.1	Low	103 Å²	103	69.1 Å²	69.1	72%	0.72	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-55.3	138.6	-177.6	60.2	0	0	0	0	112.8	E341	S339-E341 PolarHBondContact O-N 3.28Å
340	T	53.1	Low	69.2	Low	128 Å²	128	67 Å²	67	79%	0.785	39%	0.387	S	S	*	.			trans	-42.2	114.7	-174.2	-52.9	0	0	0	0	114.8
341	E	57.9	Low	68.9	Low	56 Å²	56	64.7 Å²	64.7	26%	0.262	37%	0.372	S	S	.	.			trans	-72.5	146.5	173.3	-76.5	-177	-132.4	0	0	113.9	S339 M343 Y400 K431 R626	S339-E341 PolarHBondContact O-N 3.28Å; E341-M343 PolarHBondContact O-N 3.16Å; E341-Y400 PolarHBondContact OE1-OH 2.63Å; E341-K431 IonicContact OE1-NZ 2.7Å; E341-K431 PolarHBondContact OE1-NZ 2.82Å; E341-K431 WeakPolarHBondContact OE2-CE 3.41Å; E341-K431 IonicContact OE2-NZ 3.57Å; E341-K431 PolarHBondContact OE2-NZ 2.59Å; E341-R626 IonicContact OE1-NH2 2.74Å
342	D	51.6	Low	68.2	Low	123 Å²	123	60.3 Å²	60.3	66%	0.658	35%	0.354	S	S	*	.			trans	-90.7	88.9	-171.6	-161.7	21.1	0	0	0	111.7	K434	D342-K434 WeakPolarHBondContact O-CE 3.38Å; D342-K434 IonicContact OD1-NZ 3.19Å; D342-K434 PolarHBondContact OD1-NZ 3.11Å; D342-K434 WeakPolarHBondContact OD2-CE 3.25Å; D342-K434 IonicContact OD2-NZ 3.55Å; D342-K434 PolarHBondContact OD2-NZ 2.87Å
343	M	55.6	Low	67.2	Low	54 Å²	54	60 Å²	60	27%	0.266	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.5	145.8	-173.5	-61.4	-73.2	-62.1	0	0	113.7	E341 Y430 K431 K434	E341-M343 PolarHBondContact O-N 3.16Å; M343-Y430 HydrophobicContact CE-CD2 4.21Å; M343-Y430 HydrophobicContact CE-CE2 3.92Å; M343-K431 HydrophobicContact CE-CB 4.36Å; M343-K431 HydrophobicContact CE-CG 4.13Å; M343-K431 HydrophobicContact SD-CG 4.01Å; M343-K434 WeakPolarHBondContact O-CE 3.35Å
344	A	57	Low	65.7	Low	13 Å²	13	64.9 Å²	64.9	11%	0.107	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79.2	160.8	169.6	0	0	0	0	0	113.6	K432 P433 K434	A344-K432 HydrophobicContact CB-CB 4.23Å; A344-K432 WeakPolarHBondContact CB-O 3.35Å; A344-K432 PolarHBondContact N-O 2.87Å; A344-P433 WeakPolarHBondContact CB-O 3.4Å; A344-K434 HydrophobicContact CB-CG 3.93Å
345	E	56.8	Low	64.3	Low	159 Å²	159	63.7 Å²	63.7	74%	0.743	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-72.2	171.1	174.7	-61.8	-171.1	164.3	0	0	112.6	S350	E345-S350 WeakPolarHBondContact O-CB 3.37Å; E345-S350 PolarHBondContact O-OG 3.03Å
346	V	60.9	Low	63	Low	70 Å²	70	64.4 Å²	64.4	42%	0.424	37%	0.372	S	S	.	.	S	Bend	trans	-88.6	141	-176.7	176.2	0	0	0	0	111.2	K597	V346-K597 HydrophobicContact CG1-CD 4.37Å; V346-K597 HydrophobicContact CG1-CG 3.77Å
347	G	57.5	Low	61.7	Low	11 Å²	11	68.6 Å²	68.6	11%	0.113	39%	0.388	C	S	.	.	S	Bend	trans	85.5	-169.5	176.6	0	0	0	0	0	115.6	A349 S350 D596	G347-A349 VanDerWaalsContact C-N 3.3Å; G347-A349 PolarHBondContact O-N 2.89Å; G347-A349 VanDerWaalsContact O-N 3.15Å; G347-S350 PolarHBondContact O-N 2.84Å; G347-S350 VanDerWaalsContact O-N 3.09Å; G347-S350 PolarHBondContact O-OG 3.28Å; G347-D596 PolarHBondContact N-OD2 3.02Å; G347-D596 VanDerWaalsContact N-OD2 3.14Å
348	E	59.7	Low	60.6	Low	61 Å²	61	71.7 Å²	71.7	29%	0.285	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-59.9	-30.3	-161	-168.5	164.2	-174.3	0	0	114.8	S350 Q351 V352 K565 V574	E348-S350 PolarHBondContact O-N 3.47Å; E348-Q351 PolarHBondContact O-N 2.88Å; E348-V352 HydrophobicContact CG-CG2 4.49Å; E348-V352 PolarHBondContact O-N 3.41Å; E348-K565 IonicContact OE1-NZ 2.65Å; E348-K565 PolarHBondContact OE1-NZ 3.43Å; E348-K565 IonicContact OE2-NZ 2.82Å; E348-K565 PolarHBondContact OE2-NZ 3.49Å; E348-V574 HydrophobicContact CB-CG1 4.3Å; E348-V574 HydrophobicContact CB-CG2 4.34Å; E348-V574 VanDerWaalsContact OE2-CG2 3.31Å; E348-V574 WeakPolarHBondContact OE2-CG2 3.38Å
349	A	55.3	Low	60.2	Low	79 Å²	79	71 Å²	71	65%	0.653	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-61.1	-30.5	177.5	0	0	0	0	0	113.4	G347 Q351	G347-A349 VanDerWaalsContact C-N 3.3Å; G347-A349 PolarHBondContact O-N 2.89Å; G347-A349 VanDerWaalsContact O-N 3.15Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 3.16Å
350	S	58.5	Low	60.6	Low	10 Å²	10	70.6 Å²	70.6	7%	0.07	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-71.8	-22.8	175.7	64.1	0	0	0	0	114	E345 G347 E348 K432	E345-S350 WeakPolarHBondContact O-CB 3.37Å; E345-S350 PolarHBondContact O-OG 3.03Å; G347-S350 PolarHBondContact O-N 2.84Å; G347-S350 VanDerWaalsContact O-N 3.09Å; G347-S350 PolarHBondContact O-OG 3.28Å; E348-S350 PolarHBondContact O-N 3.47Å; S350-K432 WeakPolarHBondContact OG-CD 3.4Å; S350-K432 PolarHBondContact OG-NZ 2.91Å
351	Q	60.8	Low	61.4	Low	7 Å²	7	66.7 Å²	66.7	3%	0.033	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-98.6	-5.4	-171.9	-69.4	167.2	-95.2	0	0	112.7	E348 A349 K432 T540 L541 N575	E348-Q351 PolarHBondContact O-N 2.88Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 3.16Å; Q351-K432 HydrophobicContact CG-CD 4.2Å; Q351-T540 HydrophobicContact CB-CG2 4.24Å; Q351-T540 CarbonylContact O-C 3.29Å; Q351-T540 VanDerWaalsContact O-CA 3.29Å; Q351-T540 WeakPolarHBondContact O-CA 3.44Å; Q351-L541 WeakPolarHBondContact CB-O 3.26Å; Q351-L541 WeakPolarHBondContact CG-O 3.18Å; Q351-L541 PolarHBondContact NE2-O 3.07Å; Q351-L541 PolarHBondContact O-N 2.93Å; Q351-N575 PolarHBondContact NE2-OD1 3.03Å; Q351-N575 PolarHBondContact OE1-ND2 3.46Å; Q351-N575 PolarHBondContact OE1-OD1 3.32Å
352	V	62.5	Low	62.1	Low	44 Å²	44	68.8 Å²	68.8	27%	0.267	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.9	-176.6	155.1	0	0	0	0	110	E348 T538 M539 T540	E348-V352 HydrophobicContact CG-CG2 4.49Å; E348-V352 PolarHBondContact O-N 3.41Å; V352-T538 HydrophobicContact CB-CG2 4.11Å; V352-T538 HydrophobicContact CG1-CG2 3.38Å; V352-T538 HydrophobicContact CG2-CG2 3.79Å; V352-M539 WeakPolarHBondContact CA-O 3.42Å; V352-T540 HydrophobicContact CG2-CG2 4.4Å
353	E	65.8	Low	63.1	Low	47 Å²	47	63.6 Å²	63.6	22%	0.22	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.7	165	-167.7	167	166.3	0	0	111.7	V355 L436 K437 M539	E353-V355 PolarHBondContact O-N 2.6Å; E353-L436 HydrophobicContact CB-CB 3.64Å; E353-L436 PolarHBondContact OE2-N 3.46Å; E353-K437 IonicContact OE1-NZ 3.66Å; E353-K437 PolarHBondContact OE1-NZ 2.91Å; E353-K437 WeakPolarHBondContact OE2-CE 3.22Å; E353-K437 IonicContact OE2-NZ 3.49Å; E353-K437 PolarHBondContact OE2-NZ 3.06Å; E353-M539 PolarHBondContact N-O 2.72Å; E353-M539 VanDerWaalsContact N-O 3.16Å
354	T	60	Low	63.8	Low	122 Å²	122	67.3 Å²	67.3	75%	0.748	37%	0.366	S	S	*	.			trans	-83.7	92.2	173.4	48	0	0	0	0	110	S356	T354-S356 PolarHBondContact O-N 2.87Å
355	V	61.7	Low	64.6	Low	17 Å²	17	68.3 Å²	68.3	10%	0.103	38%	0.377	C	S	.	.			trans	-57.5	133.9	175.4	-173	0	0	0	0	110.7	E353 N359 K360 I363 F384 M539	E353-V355 PolarHBondContact O-N 2.6Å; V355-N359 HydrophobicContact CG1-CB 3.37Å; V355-K360 HydrophobicContact CB-CG 4.18Å; V355-K360 HydrophobicContact CG1-CG 3.99Å; V355-K360 WeakPolarHBondContact O-CE 3.43Å; V355-I363 HydrophobicContact CG1-CD1 4.07Å; V355-I363 HydrophobicContact CG2-CD1 4.26Å; V355-F384 HydrophobicContact CG1-CE2 3.83Å; V355-F384 HydrophobicContact CG1-CZ 4.02Å; V355-F384 HydrophobicContact CG2-CE2 4.33Å; V355-M539 HydrophobicContact CG2-CG 4.37Å; V355-M539 HydrophobicContact CG2-SD 3.42Å; V355-M539 WeakPolarHBondContact CG2-SD 3.27Å
356	S	64.9	Low	65.3	Low	50 Å²	50	61.9 Å²	61.9	35%	0.35	35%	0.348	S	S	.	.			trans	-65.9	156.6	174.8	62.3	0	0	0	0	112.1	T354 E358 N359 K360	T354-S356 PolarHBondContact O-N 2.87Å; S356-E358 PolarHBondContact O-N 2.85Å; S356-N359 PolarHBondContact O-N 2.8Å; S356-N359 VanDerWaalsContact O-N 3.11Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 2.88Å; S356-N359 PolarHBondContact OG-ND2 3.36Å; S356-K360 WeakPolarHBondContact O-CG 3.25Å; S356-K360 PolarHBondContact O-N 3.14Å
357	E	65.5	Low	65.6	Low	142 Å²	142	59.4 Å²	59.4	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-59	-35.6	-179	-60	-53.2	138.3	0	0	113.1	K360 G361	E357-K360 PolarHBondContact O-N 2.92Å; E357-K360 IonicContact OE1-NZ 3.9Å; E357-K360 PolarHBondContact OE1-NZ 2.67Å; E357-K360 WeakPolarHBondContact OE2-CD 3.5Å; E357-K360 IonicContact OE2-NZ 2.7Å; E357-K360 PolarHBondContact OE2-NZ 2.98Å; E357-G361 PolarHBondContact O-N 2.95Å
358	E	66.8	Low	66.2	Low	162 Å²	162	66.5 Å²	66.5	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-60.6	-49.9	174.1	-63.2	167.5	171.6	0	0	111.2	S356 K360 G361 L362	S356-E358 PolarHBondContact O-N 2.85Å; E358-K360 PolarHBondContact O-N 3.04Å; E358-G361 WeakPolarHBondContact O-CA 3.32Å; E358-G361 PolarHBondContact O-N 2.99Å; E358-L362 PolarHBondContact O-N 2.92Å
359	N	70.4	Confident	66.6	Low	34 Å²	34	70.4 Å²	70.4	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-68.8	-32.4	179.6	-79.3	-25.2	0	0	0	112.3	V355 S356 G361 L362 I363 F384	V355-N359 HydrophobicContact CG1-CB 3.37Å; S356-N359 PolarHBondContact O-N 2.8Å; S356-N359 VanDerWaalsContact O-N 3.11Å; S356-N359 WeakPolarHBondContact OG-CB 3.39Å; S356-N359 PolarHBondContact OG-N 2.88Å; S356-N359 PolarHBondContact OG-ND2 3.36Å; N359-G361 PolarHBondContact O-N 2.81Å; N359-L362 WeakPolarHBondContact O-CB 3.29Å; N359-L362 PolarHBondContact O-N 3.37Å; N359-L362 VanDerWaalsContact O-N 3.11Å; N359-I363 WeakPolarHBondContact O-CG1 2.96Å; N359-I363 PolarHBondContact O-N 2.85Å; N359-I363 VanDerWaalsContact O-N 3.09Å; N359-F384 HydrophobicContact CB-CD1 3.94Å; N359-F384 HydrophobicContact CB-CD2 4.28Å; N359-F384 HydrophobicContact CB-CE1 3.56Å; N359-F384 HydrophobicContact CB-CE2 3.95Å; N359-F384 HydrophobicContact CB-CG 4.3Å; N359-F384 HydrophobicContact CB-CZ 3.6Å; N359-F384 WeakPolarHBondContact OD1-CD1 3.48Å
360	K	70.2	Confident	67.4	Low	94 Å²	94	67.6 Å²	67.6	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-34.6	169.2	-71.2	174.6	-171.7	165.9	0	111.7	V355 S356 E357 E358 I363 W364	V355-K360 HydrophobicContact CB-CG 4.18Å; V355-K360 HydrophobicContact CG1-CG 3.99Å; V355-K360 WeakPolarHBondContact O-CE 3.43Å; S356-K360 WeakPolarHBondContact O-CG 3.25Å; S356-K360 PolarHBondContact O-N 3.14Å; E357-K360 PolarHBondContact O-N 2.92Å; E357-K360 IonicContact OE1-NZ 3.9Å; E357-K360 PolarHBondContact OE1-NZ 2.67Å; E357-K360 WeakPolarHBondContact OE2-CD 3.5Å; E357-K360 IonicContact OE2-NZ 2.7Å; E357-K360 PolarHBondContact OE2-NZ 2.98Å; E358-K360 PolarHBondContact O-N 3.04Å; K360-I363 PolarHBondContact O-N 3.15Å; K360-W364 VanDerWaalsContact O-CB 3.31Å; K360-W364 WeakPolarHBondContact O-CB 3.46Å; K360-W364 PolarHBondContact O-N 3.31Å
361	G	71	Confident	68.3	Low	45 Å²	45	76 Å²	76	46%	0.464	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-43	172.7	0	0	0	0	0	113	E357 E358 N359 W364 G365	E357-G361 PolarHBondContact O-N 2.95Å; E358-G361 WeakPolarHBondContact O-CA 3.32Å; E358-G361 PolarHBondContact O-N 2.99Å; N359-G361 PolarHBondContact O-N 2.81Å; G361-W364 PolarHBondContact O-N 2.97Å; G361-G365 PolarHBondContact O-N 3.01Å
362	L	72.4	Confident	69	Low	101 Å²	101	80.3 Å²	80.3	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-46.5	176.4	-62.7	176.1	0	0	0	112	E358 N359 W364 G365 L366 P382 F384	E358-L362 PolarHBondContact O-N 2.92Å; N359-L362 WeakPolarHBondContact O-CB 3.29Å; N359-L362 PolarHBondContact O-N 3.37Å; N359-L362 VanDerWaalsContact O-N 3.11Å; L362-W364 VanDerWaalsContact C-N 3.33Å; L362-W364 PolarHBondContact O-N 3.41Å; L362-G365 PolarHBondContact O-N 3.27Å; L362-L366 PolarHBondContact O-N 3.25Å; L362-L366 VanDerWaalsContact O-N 3.09Å; L362-P382 HydrophobicContact CB-CG 4.33Å; L362-F384 HydrophobicContact CB-CE1 4.47Å; L362-F384 HydrophobicContact CD1-CD1 4.46Å; L362-F384 HydrophobicContact CD1-CE1 4.27Å
363	I	72.1	Confident	69.5	Low	13 Å²	13	80.8 Å²	80.8	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-59.6	-46.4	174.9	-51	176.2	0	0	0	109.4	V355 N359 K360 G365 L366 L367 F384 F534 M539	V355-I363 HydrophobicContact CG1-CD1 4.07Å; V355-I363 HydrophobicContact CG2-CD1 4.26Å; N359-I363 WeakPolarHBondContact O-CG1 2.96Å; N359-I363 PolarHBondContact O-N 2.85Å; N359-I363 VanDerWaalsContact O-N 3.09Å; K360-I363 PolarHBondContact O-N 3.15Å; I363-G365 VanDerWaalsContact C-N 3.27Å; I363-G365 PolarHBondContact O-N 2.89Å; I363-L366 WeakPolarHBondContact O-CB 3.47Å; I363-L366 PolarHBondContact O-N 3.39Å; I363-L366 VanDerWaalsContact O-N 3.11Å; I363-L367 HydrophobicContact CG2-CD1 3.64Å; I363-L367 HydrophobicContact CG2-CG 4.02Å; I363-L367 WeakPolarHBondContact O-CB 3.4Å; I363-L367 WeakPolarHBondContact O-CD1 3.05Å; I363-L367 WeakPolarHBondContact O-CG 3.17Å; I363-L367 PolarHBondContact O-N 3.41Å; I363-F384 HydrophobicContact CD1-CE2 4.47Å; I363-F384 HydrophobicContact CD1-CZ 3.94Å; I363-F384 HydrophobicContact CG1-CZ 3.81Å; I363-F534 HydrophobicContact CG2-CD1 4.29Å; I363-F534 HydrophobicContact CG2-CE1 3.83Å; I363-F534 HydrophobicContact CG2-CZ 4.18Å; I363-M539 HydrophobicContact CD1-SD 4Å
364	W	70.5	Confident	70.1	Confident	133 Å²	133	81.7 Å²	81.7	50%	0.504	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-30.8	178.4	-167.6	-113.6	0	0	0	113.6	K360 G361 L362 L367 K368	K360-W364 VanDerWaalsContact O-CB 3.31Å; K360-W364 WeakPolarHBondContact O-CB 3.46Å; K360-W364 PolarHBondContact O-N 3.31Å; G361-W364 PolarHBondContact O-N 2.97Å; L362-W364 VanDerWaalsContact C-N 3.33Å; L362-W364 PolarHBondContact O-N 3.41Å; W364-L367 HydrophobicContact CE3-CD1 4.08Å; W364-K368 WeakPolarHBondContact O-CG 3.42Å; W364-K368 PolarHBondContact O-N 2.95Å
365	G	73.4	Confident	70.7	Confident	33 Å²	33	79.5 Å²	79.5	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-49.4	170.1	0	0	0	0	0	112.3	G361 L362 I363	G361-G365 PolarHBondContact O-N 3.01Å; L362-G365 PolarHBondContact O-N 3.27Å; I363-G365 VanDerWaalsContact C-N 3.27Å; I363-G365 PolarHBondContact O-N 2.89Å
366	L	71.4	Confident	71.3	Confident	24 Å²	24	79 Å²	79	13%	0.126	41%	0.41	C	S	.	.	H	α-helix	trans	-60.4	-46.9	176.5	-162	72.3	0	0	0	111.4	L362 I363 K368 Q369 L370 V379 V380 L381	L362-L366 PolarHBondContact O-N 3.25Å; L362-L366 VanDerWaalsContact O-N 3.09Å; I363-L366 WeakPolarHBondContact O-CB 3.47Å; I363-L366 PolarHBondContact O-N 3.39Å; I363-L366 VanDerWaalsContact O-N 3.11Å; L366-K368 VanDerWaalsContact C-N 3.28Å; L366-K368 PolarHBondContact O-N 2.76Å; L366-Q369 WeakPolarHBondContact O-CB 3.4Å; L366-Q369 PolarHBondContact O-N 2.93Å; L366-L370 HydrophobicContact CG-CD1 4.39Å; L366-V379 HydrophobicContact CD1-CG1 3.64Å; L366-V379 HydrophobicContact CD2-CG1 3.97Å; L366-V379 HydrophobicContact CG-CG1 3.92Å; L366-V380 WeakPolarHBondContact CD1-O 3.41Å; L366-L381 HydrophobicContact CD2-CD2 3.94Å
367	L	66.4	Low	71.4	Confident	18 Å²	18	78.5 Å²	78.5	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-28.8	-174.7	-74.5	169.1	0	0	0	114.7	I363 W364 Q369 L370 F498 F534 L535	I363-L367 HydrophobicContact CG2-CD1 3.64Å; I363-L367 HydrophobicContact CG2-CG 4.02Å; I363-L367 WeakPolarHBondContact O-CB 3.4Å; I363-L367 WeakPolarHBondContact O-CD1 3.05Å; I363-L367 WeakPolarHBondContact O-CG 3.17Å; I363-L367 PolarHBondContact O-N 3.41Å; W364-L367 HydrophobicContact CE3-CD1 4.08Å; L367-Q369 PolarHBondContact O-N 3.2Å; L367-Q369 VanDerWaalsContact O-N 3.15Å; L367-L370 HydrophobicContact CD2-CD1 4.34Å; L367-L370 PolarHBondContact O-N 2.85Å; L367-L370 VanDerWaalsContact O-N 3.16Å; L367-F498 HydrophobicContact CD2-CE2 3.76Å; L367-F498 HydrophobicContact CD2-CZ 3.66Å; L367-F534 HydrophobicContact CD2-CD1 3.94Å; L367-F534 HydrophobicContact CD2-CE1 3.78Å; L367-F534 HydrophobicContact CG-CE1 4.39Å; L367-L535 HydrophobicContact CB-CD2 4.49Å; L367-L535 HydrophobicContact CD1-CD2 3.31Å; L367-L535 HydrophobicContact CD2-CD2 3.18Å; L367-L535 HydrophobicContact CG-CD2 3.78Å
368	K	70.1	Confident	71.4	Confident	160 Å²	160	79.5 Å²	79.5	70%	0.696	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	173.7	-72.8	167.8	-175	175.8	0	112.9	W364 L366	W364-K368 WeakPolarHBondContact O-CG 3.42Å; W364-K368 PolarHBondContact O-N 2.95Å; L366-K368 VanDerWaalsContact C-N 3.28Å; L366-K368 PolarHBondContact O-N 2.76Å
369	Q	69.5	Low	71.7	Confident	144 Å²	144	73.2 Å²	73.2	67%	0.673	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-16.7	-178.4	-46.5	-176.5	17.4	0	0	112.5	L366 L367	L366-Q369 WeakPolarHBondContact O-CB 3.4Å; L366-Q369 PolarHBondContact O-N 2.93Å; L367-Q369 PolarHBondContact O-N 3.2Å; L367-Q369 VanDerWaalsContact O-N 3.15Å
370	L	72.1	Confident	71.7	Confident	19 Å²	19	75.4 Å²	75.4	10%	0.099	40%	0.396	C	S	.	.			trans	-97.2	154.7	-170.3	-58.3	-176.5	0	0	0	113.5	L366 L367 M374 L376 V379 F498	L366-L370 HydrophobicContact CG-CD1 4.39Å; L367-L370 HydrophobicContact CD2-CD1 4.34Å; L367-L370 PolarHBondContact O-N 2.85Å; L367-L370 VanDerWaalsContact O-N 3.16Å; L370-M374 HydrophobicContact CD2-CE 3.88Å; L370-L376 HydrophobicContact CD1-CD1 4.12Å; L370-L376 HydrophobicContact CD1-CD2 3.7Å; L370-L376 HydrophobicContact CD2-CD2 3.6Å; L370-L376 HydrophobicContact CG-CD2 4.23Å; L370-V379 HydrophobicContact CD2-CG1 4.12Å; L370-V379 HydrophobicContact CD2-CG2 3.91Å; L370-F498 HydrophobicContact CB-CD1 4.03Å; L370-F498 HydrophobicContact CB-CE1 3.79Å; L370-F498 HydrophobicContact CB-CZ 4.29Å
371	R	76	Confident	72	Confident	187 Å²	187	72.1 Å²	72.1	71%	0.706	38%	0.382	S	S	*	.			trans	-136.5	141.5	176.4	-53.3	-176.9	-173.4	-159.2	6	109.4	G373 M374 F498	R371-G373 PolarHBondContact O-N 2.85Å; R371-M374 HydrophobicContact CB-CG 4.12Å; R371-M374 HydrophobicContact CB-SD 3.68Å; R371-M374 HydrophobicContact CG-SD 3.84Å; R371-M374 PolarHBondContact N-SD 3.13Å; R371-M374 VanDerWaalsContact O-CB 3.31Å; R371-M374 WeakPolarHBondContact O-CB 3.13Å; R371-M374 WeakPolarHBondContact O-CG 3.46Å; R371-M374 PolarHBondContact O-N 2.92Å; R371-F498 WeakPolarHBondContact O-CD1 3.48Å
372	P	76	Confident	72.4	Confident	98 Å²	98	71.1 Å²	71.1	64%	0.636	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	134.9	174.1	-26.2	35.2	0	0	0	111.7
373	G	72.6	Confident	72.9	Confident	53 Å²	53	66.7 Å²	66.7	55%	0.546	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-11.5	-173.8	0	0	0	0	0	115.2	R371 F498	R371-G373 PolarHBondContact O-N 2.85Å; G373-F498 PolarHBondContact N-O 2.81Å
374	M	78.1	Confident	73.2	Confident	66 Å²	66	67 Å²	67	33%	0.325	35%	0.346	S	S	.	.			trans	-68.2	144.3	174.5	-75	175.7	58.2	0	0	112.3	L370 R371 F498	L370-M374 HydrophobicContact CD2-CE 3.88Å; R371-M374 HydrophobicContact CB-CG 4.12Å; R371-M374 HydrophobicContact CB-SD 3.68Å; R371-M374 HydrophobicContact CG-SD 3.84Å; R371-M374 PolarHBondContact N-SD 3.13Å; R371-M374 VanDerWaalsContact O-CB 3.31Å; R371-M374 WeakPolarHBondContact O-CB 3.13Å; R371-M374 WeakPolarHBondContact O-CG 3.46Å; R371-M374 PolarHBondContact O-N 2.92Å; M374-F498 PolarHBondContact O-N 3.31Å
375	D	74.4	Confident	73.7	Confident	77 Å²	77	61.3 Å²	61.3	41%	0.412	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-80.2	133.9	164.3	-179.6	18.5	0	0	0	109.8	S377 S496	D375-S377 WeakPolarHBondContact OD1-CB 3.29Å; D375-S377 PolarHBondContact OD1-N 3.12Å; D375-S377 PolarHBondContact OD1-OG 2.93Å; D375-S377 WeakPolarHBondContact OD2-CB 3.24Å; D375-S377 PolarHBondContact OD2-OG 2.82Å; D375-S496 CarbonylContact C-O 3.59Å; D375-S496 VanDerWaalsContact CA-O 3.28Å; D375-S496 WeakPolarHBondContact CA-O 3.36Å; D375-S496 PolarHBondContact OD1-N 2.83Å; D375-S496 VanDerWaalsContact OD1-O 3.07Å
376	L	72.5	Confident	74.3	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	31%	0.312	C	S	.	.			trans	-98.2	3.2	178.6	-54.4	-162.1	0	0	0	113	L370 K378 V379 S496 F498 L503	L370-L376 HydrophobicContact CD1-CD1 4.12Å; L370-L376 HydrophobicContact CD1-CD2 3.7Å; L370-L376 HydrophobicContact CD2-CD2 3.6Å; L370-L376 HydrophobicContact CG-CD2 4.23Å; L376-K378 PolarHBondContact O-N 3.48Å; L376-V379 HydrophobicContact CB-CB 4.15Å; L376-V379 HydrophobicContact CB-CG2 4.45Å; L376-V379 HydrophobicContact CD2-CB 4.36Å; L376-V379 HydrophobicContact CD2-CG2 4.05Å; L376-V379 WeakPolarHBondContact O-CB 3.25Å; L376-V379 PolarHBondContact O-N 3.41Å; L376-S496 PolarHBondContact N-O 2.96Å; L376-F498 HydrophobicContact CD1-CB 4.05Å; L376-F498 HydrophobicContact CD1-CD2 4.44Å; L376-F498 HydrophobicContact CD2-CB 3.84Å; L376-F498 HydrophobicContact CD2-CG 4.47Å; L376-F498 HydrophobicContact CG-CB 3.91Å; L376-L503 HydrophobicContact CD1-CD1 3.61Å; L376-L503 HydrophobicContact CD1-CD2 3.97Å; L376-L503 HydrophobicContact CD1-CG 4.38Å; L376-L503 HydrophobicContact CG-CD1 4.06Å
377	S	67.5	Low	75	Confident	40 Å²	40	59.7 Å²	59.7	28%	0.28	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.5	174.5	65.2	0	0	0	0	113.7	D375	D375-S377 WeakPolarHBondContact OD1-CB 3.29Å; D375-S377 PolarHBondContact OD1-N 3.12Å; D375-S377 PolarHBondContact OD1-OG 2.93Å; D375-S377 WeakPolarHBondContact OD2-CB 3.24Å; D375-S377 PolarHBondContact OD2-OG 2.82Å
378	K	66.9	Low	76.2	Confident	163 Å²	163	61.3 Å²	61.3	71%	0.709	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	12.7	179.3	-57.4	-173.7	179.5	-174.6	0	113.9	L376	L376-K378 PolarHBondContact O-N 3.48Å
379	V	71.9	Confident	77.2	Confident	31 Å²	31	54.9 Å²	54.9	19%	0.188	29%	0.291	C	S	.	.	S	Bend	trans	-116.4	116.1	-172.2	176	0	0	0	0	109.2	L366 L370 L376 L381	L366-V379 HydrophobicContact CD1-CG1 3.64Å; L366-V379 HydrophobicContact CD2-CG1 3.97Å; L366-V379 HydrophobicContact CG-CG1 3.92Å; L370-V379 HydrophobicContact CD2-CG1 4.12Å; L370-V379 HydrophobicContact CD2-CG2 3.91Å; L376-V379 HydrophobicContact CB-CB 4.15Å; L376-V379 HydrophobicContact CB-CG2 4.45Å; L376-V379 HydrophobicContact CD2-CB 4.36Å; L376-V379 HydrophobicContact CD2-CG2 4.05Å; L376-V379 WeakPolarHBondContact O-CB 3.25Å; L376-V379 PolarHBondContact O-N 3.41Å; V379-L381 PolarHBondContact O-N 3.02Å; V379-L381 VanDerWaalsContact O-N 3.08Å
380	V	71.5	Confident	78.4	Confident	80 Å²	80	48.1 Å²	48.1	49%	0.485	26%	0.26	S	S	.	.			trans	-68.9	108.7	-179.3	-179.5	0	0	0	0	110.1	L366	L366-V380 WeakPolarHBondContact CD1-O 3.41Å
381	L	76.3	Confident	79.5	Confident	24 Å²	24	48.5 Å²	48.5	13%	0.126	26%	0.261	C	S	.	.			trans	-76.6	147	172.4	-69.1	164.8	0	0	0	110.7	L366 V379 I385 K438 F534	L366-L381 HydrophobicContact CD2-CD2 3.94Å; V379-L381 PolarHBondContact O-N 3.02Å; V379-L381 VanDerWaalsContact O-N 3.08Å; L381-I385 HydrophobicContact CB-CD1 4.08Å; L381-I385 HydrophobicContact CB-CG1 4.49Å; L381-I385 HydrophobicContact CD1-CD1 4.24Å; L381-I385 HydrophobicContact CD2-CD1 4.18Å; L381-I385 HydrophobicContact CG-CD1 4.4Å; L381-K438 HydrophobicContact CD1-CD 4.03Å; L381-F534 HydrophobicContact CD2-CZ 4.23Å
382	P	78.4	Confident	80.5	Confident	25 Å²	25	39.6 Å²	39.6	16%	0.162	23%	0.227	C	C	.	.			trans	-60.7	151.4	177.6	-24.5	35	0	0	0	113.7	L362 F384 I385	L362-P382 HydrophobicContact CB-CG 4.33Å; P382-F384 VanDerWaalsContact C-N 3.34Å; P382-F384 HydrophobicContact CB-CD1 3.54Å; P382-F384 HydrophobicContact CB-CE1 3.31Å; P382-F384 HydrophobicContact CB-CZ 4.16Å; P382-F384 HydrophobicContact CG-CE1 3.83Å; P382-F384 HydrophobicContact CG-CZ 4.39Å; P382-F384 PolarHBondContact O-N 3.46Å; P382-I385 WeakPolarHBondContact O-CG1 3.39Å; P382-I385 PolarHBondContact O-N 2.85Å
383	T	82.5	Confident	81.5	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.043	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.8	-28.2	-177.5	42.3	0	0	0	0	114.6	I385 L386 Q655 A658 T659 K662	T383-I385 PolarHBondContact O-N 2.96Å; T383-I385 VanDerWaalsContact O-N 3.16Å; T383-L386 HydrophobicContact CG2-CD1 4.1Å; T383-L386 WeakPolarHBondContact O-CB 3.37Å; T383-L386 PolarHBondContact O-N 2.88Å; T383-Q655 PolarHBondContact OG1-O 3.06Å; T383-Q655 PolarHBondContact OG1-OE1 2.67Å; T383-Q655 VanDerWaalsContact OG1-OE1 3.12Å; T383-A658 HydrophobicContact CG2-CB 4.03Å; T383-T659 PolarHBondContact OG1-OG1 3.48Å; T383-K662 HydrophobicContact CG2-CD 4.39Å
384	F	79.4	Confident	82.4	Confident	19 Å²	19	34.3 Å²	34.3	8%	0.083	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.5	-177.5	71.4	-97.6	0	0	0	114.3	V355 N359 L362 I363 P382 K437 Q655	V355-F384 HydrophobicContact CG1-CE2 3.83Å; V355-F384 HydrophobicContact CG1-CZ 4.02Å; V355-F384 HydrophobicContact CG2-CE2 4.33Å; N359-F384 HydrophobicContact CB-CD1 3.94Å; N359-F384 HydrophobicContact CB-CD2 4.28Å; N359-F384 HydrophobicContact CB-CE1 3.56Å; N359-F384 HydrophobicContact CB-CE2 3.95Å; N359-F384 HydrophobicContact CB-CG 4.3Å; N359-F384 HydrophobicContact CB-CZ 3.6Å; N359-F384 WeakPolarHBondContact OD1-CD1 3.48Å; L362-F384 HydrophobicContact CB-CE1 4.47Å; L362-F384 HydrophobicContact CD1-CD1 4.46Å; L362-F384 HydrophobicContact CD1-CE1 4.27Å; I363-F384 HydrophobicContact CD1-CE2 4.47Å; I363-F384 HydrophobicContact CD1-CZ 3.94Å; I363-F384 HydrophobicContact CG1-CZ 3.81Å; P382-F384 VanDerWaalsContact C-N 3.34Å; P382-F384 HydrophobicContact CB-CD1 3.54Å; P382-F384 HydrophobicContact CB-CE1 3.31Å; P382-F384 HydrophobicContact CB-CZ 4.16Å; P382-F384 HydrophobicContact CG-CE1 3.83Å; P382-F384 HydrophobicContact CG-CZ 4.39Å; P382-F384 PolarHBondContact O-N 3.46Å; F384-K437 PolarHBondContact O-NZ 2.87Å; F384-Q655 VanDerWaalsContact CA-OE1 3.28Å; F384-Q655 VanDerWaalsContact N-OE1 3.09Å
385	I	81.3	Confident	83.2	Confident	14 Å²	14	31.6 Å²	31.6	7%	0.072	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-94.1	6.9	172.2	72	163.1	0	0	0	113.3	L381 P382 T383 K437 K438	L381-I385 HydrophobicContact CB-CD1 4.08Å; L381-I385 HydrophobicContact CB-CG1 4.49Å; L381-I385 HydrophobicContact CD1-CD1 4.24Å; L381-I385 HydrophobicContact CD2-CD1 4.18Å; L381-I385 HydrophobicContact CG-CD1 4.4Å; P382-I385 WeakPolarHBondContact O-CG1 3.39Å; P382-I385 PolarHBondContact O-N 2.85Å; T383-I385 PolarHBondContact O-N 2.96Å; T383-I385 VanDerWaalsContact O-N 3.16Å; I385-K437 CarbonylContact O-C 3.57Å; I385-K437 WeakPolarHBondContact O-CA 3.25Å; I385-K438 PolarHBondContact O-N 3.21Å
386	L	85.9	Confident	84.2	Confident	12 Å²	12	28 Å²	28	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.8	-179.3	-60.1	175.9	0	0	0	112	T383 K438 Y440 I650 K662	T383-L386 HydrophobicContact CG2-CD1 4.1Å; T383-L386 WeakPolarHBondContact O-CB 3.37Å; T383-L386 PolarHBondContact O-N 2.88Å; L386-K438 CarbonylContact C-O 3.54Å; L386-K438 VanDerWaalsContact CA-O 3.25Å; L386-K438 WeakPolarHBondContact CA-O 3.29Å; L386-Y440 HydrophobicContact CB-CD1 4.26Å; L386-Y440 HydrophobicContact CB-CE1 4.01Å; L386-Y440 HydrophobicContact CD1-CD1 4.01Å; L386-Y440 HydrophobicContact CD1-CE1 3.99Å; L386-I650 HydrophobicContact CB-CD1 3.9Å; L386-I650 HydrophobicContact CD1-CD1 4.33Å; L386-K662 HydrophobicContact CD1-CD 4.03Å
387	E	86.9	Confident	85.1	Confident	11 Å²	11	28.1 Å²	28.1	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.6	162.3	-163.4	173.2	164.6	0	0	106.9	R389 K394 K437 K438	E387-R389 PolarHBondContact O-N 2.68Å; E387-R389 IonicContact OE1-CZ 2.69Å; E387-R389 VanDerWaalsContact OE1-CZ 3.3Å; E387-R389 IonicContact OE1-NE 3.58Å; E387-R389 PolarHBondContact OE1-NE 3.05Å; E387-R389 IonicContact OE1-NH2 2.99Å; E387-R389 PolarHBondContact OE1-NH2 3.37Å; E387-K394 IonicContact OE1-NZ 2.68Å; E387-K394 PolarHBondContact OE1-NZ 3.07Å; E387-K394 VanDerWaalsContact OE2-CE 3.24Å; E387-K394 WeakPolarHBondContact OE2-CE 3.46Å; E387-K394 IonicContact OE2-NZ 2.71Å; E387-K394 PolarHBondContact OE2-NZ 3.06Å; E387-K437 HydrophobicContact CB-CB 3.78Å; E387-K437 HydrophobicContact CG-CB 4.35Å; E387-K438 PolarHBondContact N-O 3.49Å
388	P	89.6	Confident	86.3	Confident	53 Å²	53	27.8 Å²	27.8	34%	0.344	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	46.4	-177.9	33	-37.1	0	0	0	112.7	Y440 T647 I650	P388-Y440 WeakPolarHBondContact CA-OH 3.42Å; P388-T647 HydrophobicContact CB-CG2 4.27Å; P388-I650 HydrophobicContact CB-CG2 4.34Å
389	R	91.6	Very high	87.7	Confident	24 Å²	24	20.3 Å²	20.3	9%	0.091	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.3	-176.2	-64.1	-163.1	-58.6	149	-19	110	E387 D393 D397 P439 Y440	E387-R389 PolarHBondContact O-N 2.68Å; E387-R389 IonicContact OE1-CZ 2.69Å; E387-R389 VanDerWaalsContact OE1-CZ 3.3Å; E387-R389 IonicContact OE1-NE 3.58Å; E387-R389 PolarHBondContact OE1-NE 3.05Å; E387-R389 IonicContact OE1-NH2 2.99Å; E387-R389 PolarHBondContact OE1-NH2 3.37Å; R389-D393 HydrophobicContact CB-CB 4.36Å; R389-D393 WeakPolarHBondContact CB-OD2 3.4Å; R389-D393 WeakPolarHBondContact CD-OD1 3.11Å; R389-D393 WeakPolarHBondContact CD-OD2 3.24Å; R389-D393 VanDerWaalsContact CG-OD2 3.29Å; R389-D393 WeakPolarHBondContact CG-OD2 3.48Å; R389-D393 IonicContact CZ-OD1 3.69Å; R389-D393 IonicContact NE-OD1 2.74Å; R389-D393 IonicContact NH1-OD1 3.88Å; R389-D393 PolarHBondContact NH1-OD1 3.23Å; R389-D397 IonicContact CZ-OD1 2.77Å; R389-D397 IonicContact CZ-OD2 3.49Å; R389-D397 IonicContact NH1-OD1 2.84Å; R389-D397 PolarHBondContact NH1-OD1 3.35Å; R389-D397 IonicContact NH1-OD2 3.73Å; R389-D397 IonicContact NH2-OD1 3.2Å; R389-D397 PolarHBondContact NH2-OD1 2.75Å; R389-D397 IonicContact NH2-OD2 3.16Å; R389-D397 PolarHBondContact NH2-OD2 3.43Å; R389-P439 CarbonylContact O-C 3.6Å; R389-P439 VanDerWaalsContact O-CA 3.28Å; R389-P439 WeakPolarHBondContact O-CA 3.36Å; R389-P439 VanDerWaalsContact O-CB 3.27Å; R389-P439 WeakPolarHBondContact O-CB 3.5Å; R389-Y440 WeakPolarHBondContact O-CD2 3.49Å; R389-Y440 PolarHBondContact O-N 3.45Å
390	S	95.4	Very high	88.8	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	161.7	172.6	-178.8	0	0	0	0	111.8	L392 D393 K394 E446 S639	S390-L392 PolarHBondContact O-N 3.07Å; S390-L392 PolarHBondContact OG-N 2.82Å; S390-D393 PolarHBondContact O-N 3.09Å; S390-K394 WeakPolarHBondContact O-CB 3.41Å; S390-K394 PolarHBondContact O-N 2.92Å; S390-E446 WeakPolarHBondContact CB-OE1 3.45Å; S390-E446 PolarHBondContact OG-OE1 3.46Å; S390-S639 WeakPolarHBondContact CB-OG 3.33Å
391	F	95.3	Very high	90	Very high	27 Å²	27	16 Å²	16	12%	0.118	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-31.2	169.6	-176.5	-122.2	0	0	0	111.7	K394 L395 P439 Y440 P442 S475 I492 L507	F391-K394 PolarHBondContact O-N 3.35Å; F391-L395 HydrophobicContact CD1-CD1 4.08Å; F391-L395 HydrophobicContact CD1-CG 4.43Å; F391-L395 HydrophobicContact CD2-CG 4.31Å; F391-L395 HydrophobicContact CE1-CD1 3.68Å; F391-L395 HydrophobicContact CE1-CD2 4.38Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CE2-CD1 4.46Å; F391-L395 HydrophobicContact CE2-CD2 3.94Å; F391-L395 HydrophobicContact CE2-CG 3.94Å; F391-L395 HydrophobicContact CZ-CD1 3.89Å; F391-L395 HydrophobicContact CZ-CD2 3.72Å; F391-L395 HydrophobicContact CZ-CG 3.8Å; F391-L395 WeakPolarHBondContact O-CG 3.28Å; F391-L395 PolarHBondContact O-N 3.08Å; F391-P439 HydrophobicContact CB-CB 4.43Å; F391-P439 HydrophobicContact CB-CG 4.24Å; F391-P439 HydrophobicContact CD2-CG 3.98Å; F391-Y440 PolarHBondContact N-O 2.84Å; F391-P442 HydrophobicContact CB-CG 3.78Å; F391-S475 WeakPolarHBondContact CD1-OG 3.42Å; F391-I492 HydrophobicContact CE1-CG2 4.16Å; F391-I492 HydrophobicContact CZ-CG2 4.07Å; F391-L507 HydrophobicContact CE2-CD2 4.22Å; F391-L507 HydrophobicContact CZ-CD1 4.4Å; F391-L507 HydrophobicContact CZ-CD2 3.76Å
392	L	97.6	Very high	91	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.2	-41.6	176.3	-53.6	-175.8	0	0	0	112	S390 P442 E446 F448 Y463 A465	S390-L392 PolarHBondContact O-N 3.07Å; S390-L392 PolarHBondContact OG-N 2.82Å; L392-P442 HydrophobicContact CD1-CB 4.36Å; L392-P442 HydrophobicContact CD2-CG 4.11Å; L392-P442 HydrophobicContact CG-CB 4.12Å; L392-P442 HydrophobicContact CG-CG 3.88Å; L392-E446 HydrophobicContact CD1-CB 4.13Å; L392-E446 HydrophobicContact CD1-CG 4.01Å; L392-E446 VanDerWaalsContact CD1-O 3.25Å; L392-E446 WeakPolarHBondContact CD1-O 3.35Å; L392-F448 HydrophobicContact CB-CB 3.63Å; L392-Y463 PolarHBondContact O-OH 3.06Å; L392-A465 HydrophobicContact CB-CB 4.25Å; L392-A465 HydrophobicContact CD2-CB 4.3Å
393	D	95.4	Very high	91.9	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.032	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-49	168.8	171.1	-11.2	0	0	0	110.6	R389 S390 L395 S396 F448 R626	R389-D393 HydrophobicContact CB-CB 4.36Å; R389-D393 WeakPolarHBondContact CB-OD2 3.4Å; R389-D393 WeakPolarHBondContact CD-OD1 3.11Å; R389-D393 WeakPolarHBondContact CD-OD2 3.24Å; R389-D393 VanDerWaalsContact CG-OD2 3.29Å; R389-D393 WeakPolarHBondContact CG-OD2 3.48Å; R389-D393 IonicContact CZ-OD1 3.69Å; R389-D393 IonicContact NE-OD1 2.74Å; R389-D393 IonicContact NH1-OD1 3.88Å; R389-D393 PolarHBondContact NH1-OD1 3.23Å; S390-D393 PolarHBondContact O-N 3.09Å; D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.48Å; D393-S396 VanDerWaalsContact O-CB 3.28Å; D393-S396 WeakPolarHBondContact O-CB 3.15Å; D393-S396 PolarHBondContact O-N 3.2Å; D393-S396 PolarHBondContact O-OG 3.26Å; D393-F448 HydrophobicContact CB-CD1 4.26Å; D393-F448 HydrophobicContact CB-CD2 4.05Å; D393-F448 HydrophobicContact CB-CE1 4.15Å; D393-F448 HydrophobicContact CB-CE2 3.92Å; D393-F448 HydrophobicContact CB-CG 4.21Å; D393-F448 HydrophobicContact CB-CZ 3.97Å; D393-R626 IonicContact OD1-CZ 2.64Å; D393-R626 IonicContact OD1-NH1 3.85Å; D393-R626 PolarHBondContact OD1-NH1 3.32Å; D393-R626 IonicContact OD1-NH2 3.33Å; D393-R626 PolarHBondContact OD1-NH2 3.09Å; D393-R626 IonicContact OD2-NH2 3.44Å
394	K	92.8	Very high	92.6	Very high	35 Å²	35	15.3 Å²	15.3	15%	0.152	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-35.3	-176.4	-171.9	59.4	176.6	177.5	0	113.3	E387 S390 F391 S396 D397 P439	E387-K394 IonicContact OE1-NZ 2.68Å; E387-K394 PolarHBondContact OE1-NZ 3.07Å; E387-K394 VanDerWaalsContact OE2-CE 3.24Å; E387-K394 WeakPolarHBondContact OE2-CE 3.46Å; E387-K394 IonicContact OE2-NZ 2.71Å; E387-K394 PolarHBondContact OE2-NZ 3.06Å; S390-K394 WeakPolarHBondContact O-CB 3.41Å; S390-K394 PolarHBondContact O-N 2.92Å; F391-K394 PolarHBondContact O-N 3.35Å; K394-S396 PolarHBondContact O-N 2.79Å; K394-D397 WeakPolarHBondContact CD-OD2 3.15Å; K394-D397 WeakPolarHBondContact CE-OD2 3.21Å; K394-D397 IonicContact NZ-OD2 2.88Å; K394-D397 PolarHBondContact NZ-OD2 3.1Å; K394-D397 WeakPolarHBondContact O-CB 3.35Å; K394-D397 PolarHBondContact O-N 3.02Å; K394-P439 HydrophobicContact CB-CB 3.93Å; K394-P439 HydrophobicContact CB-CG 4.02Å; K394-P439 HydrophobicContact CG-CB 4.27Å; K394-P439 HydrophobicContact CG-CG 3.99Å
395	L	93.8	Very high	93.5	Very high	9 Å²	9	14.4 Å²	14.4	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-64	-23.2	174.2	-78.1	175.2	0	0	0	113.3	F391 D393 D397 Y398 Y463 I492	F391-L395 HydrophobicContact CD1-CD1 4.08Å; F391-L395 HydrophobicContact CD1-CG 4.43Å; F391-L395 HydrophobicContact CD2-CG 4.31Å; F391-L395 HydrophobicContact CE1-CD1 3.68Å; F391-L395 HydrophobicContact CE1-CD2 4.38Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CE2-CD1 4.46Å; F391-L395 HydrophobicContact CE2-CD2 3.94Å; F391-L395 HydrophobicContact CE2-CG 3.94Å; F391-L395 HydrophobicContact CZ-CD1 3.89Å; F391-L395 HydrophobicContact CZ-CD2 3.72Å; F391-L395 HydrophobicContact CZ-CG 3.8Å; F391-L395 WeakPolarHBondContact O-CG 3.28Å; F391-L395 PolarHBondContact O-N 3.08Å; D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.48Å; L395-D397 PolarHBondContact O-N 2.61Å; L395-Y398 WeakPolarHBondContact O-CD2 3.25Å; L395-Y463 WeakPolarHBondContact CB-OH 3.38Å; L395-I492 HydrophobicContact CD1-CD1 4.07Å; L395-I492 HydrophobicContact CD2-CD1 3.52Å; L395-I492 HydrophobicContact CG-CD1 4.47Å
396	S	95.1	Very high	94.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-73.8	-11.4	176.1	80.6	0	0	0	0	113.4	D393 K394 Y398 Y399 W452 R626	D393-S396 VanDerWaalsContact O-CB 3.28Å; D393-S396 WeakPolarHBondContact O-CB 3.15Å; D393-S396 PolarHBondContact O-N 3.2Å; D393-S396 PolarHBondContact O-OG 3.26Å; K394-S396 PolarHBondContact O-N 2.79Å; S396-Y398 PolarHBondContact O-N 3.18Å; S396-Y398 VanDerWaalsContact O-N 3.09Å; S396-Y399 PolarHBondContact O-N 3.02Å; S396-W452 WeakPolarHBondContact O-CH2 3.06Å; S396-W452 WeakPolarHBondContact O-CZ2 3.49Å; S396-R626 PolarHBondContact OG-NH1 3.16Å
397	D	92.2	Very high	94.8	Very high	8 Å²	8	17 Å²	17	4%	0.043	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.2	175.4	-79.2	-4.9	0	0	0	113.5	R389 K394 L395 Y399 Y400 K431	R389-D397 IonicContact CZ-OD1 2.77Å; R389-D397 IonicContact CZ-OD2 3.49Å; R389-D397 IonicContact NH1-OD1 2.84Å; R389-D397 PolarHBondContact NH1-OD1 3.35Å; R389-D397 IonicContact NH1-OD2 3.73Å; R389-D397 IonicContact NH2-OD1 3.2Å; R389-D397 PolarHBondContact NH2-OD1 2.75Å; R389-D397 IonicContact NH2-OD2 3.16Å; R389-D397 PolarHBondContact NH2-OD2 3.43Å; K394-D397 WeakPolarHBondContact CD-OD2 3.15Å; K394-D397 WeakPolarHBondContact CE-OD2 3.21Å; K394-D397 IonicContact NZ-OD2 2.88Å; K394-D397 PolarHBondContact NZ-OD2 3.1Å; K394-D397 WeakPolarHBondContact O-CB 3.35Å; K394-D397 PolarHBondContact O-N 3.02Å; L395-D397 PolarHBondContact O-N 2.61Å; D397-Y399 VanDerWaalsContact C-N 3.34Å; D397-Y399 PolarHBondContact O-N 2.8Å; D397-Y400 WeakPolarHBondContact O-CD2 3.4Å; D397-K431 HydrophobicContact CB-CD 4.21Å; D397-K431 IonicContact OD1-NZ 3.29Å; D397-K431 PolarHBondContact OD1-NZ 3.24Å; D397-K431 IonicContact OD2-NZ 3.73Å
398	Y	93.6	Very high	95.3	Very high	34 Å²	34	16.5 Å²	16.5	13%	0.133	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11.4	179.9	-71.8	-93.2	0	0	0	114.6	L395 S396 W424 F429 M526	L395-Y398 WeakPolarHBondContact O-CD2 3.25Å; S396-Y398 PolarHBondContact O-N 3.18Å; S396-Y398 VanDerWaalsContact O-N 3.09Å; Y398-W424 PolarHBondContact O-NE1 3.18Å; Y398-W424 VanDerWaalsContact O-NE1 3.08Å; Y398-F429 HydrophobicContact CE1-CD1 4.18Å; Y398-F429 AromaticContact CE1-CE1 3.66Å; Y398-F429 HydrophobicContact CE1-CE1 3.66Å; Y398-F429 HydrophobicContact CE1-CE2 4.27Å; Y398-F429 AromaticContact CE1-CZ 3.72Å; Y398-F429 HydrophobicContact CE1-CZ 3.72Å; Y398-F429 AromaticContact CZ-CE1 3.97Å; Y398-F429 WeakPolarHBondContact OH-CE1 3.47Å; Y398-M526 HydrophobicContact CD1-CE 4.2Å; Y398-M526 HydrophobicContact CD2-CE 4.4Å; Y398-M526 HydrophobicContact CE1-CE 4Å; Y398-M526 HydrophobicContact CE1-SD 4.04Å; Y398-M526 HydrophobicContact CE2-CE 4.19Å; Y398-M526 HydrophobicContact CG-CE 4.41Å
399	Y	96.1	Very high	95.6	Very high	6 Å²	6	14.4 Å²	14.4	2%	0.024	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-108.2	7	-170.2	-55.2	-79.8	0	0	0	114.3	S396 D397 H401 A402 W424 W452 Y463 F477 V479 I488	S396-Y399 PolarHBondContact O-N 3.02Å; D397-Y399 VanDerWaalsContact C-N 3.34Å; D397-Y399 PolarHBondContact O-N 2.8Å; Y399-H401 PolarHBondContact O-N 2.89Å; Y399-A402 WeakPolarHBondContact O-CB 3.47Å; Y399-A402 PolarHBondContact O-N 3.45Å; Y399-W424 AromaticContact CD1-CZ2 3.93Å; Y399-W424 HydrophobicContact CD1-CZ2 3.93Å; Y399-W424 HydrophobicContact CE1-CH2 4.21Å; Y399-W424 AromaticContact CE1-CZ2 3.55Å; Y399-W424 HydrophobicContact CE1-CZ2 3.55Å; Y399-W452 HydrophobicContact CD2-CH2 4.39Å; Y399-W452 HydrophobicContact CG-CH2 4.38Å; Y399-Y463 AromaticContact CD2-CD2 3.79Å; Y399-Y463 HydrophobicContact CD2-CD2 3.79Å; Y399-Y463 HydrophobicContact CD2-CE2 4.07Å; Y399-Y463 AromaticContact CE2-CD2 3.78Å; Y399-Y463 HydrophobicContact CE2-CD2 3.78Å; Y399-Y463 AromaticContact CE2-CE2 3.71Å; Y399-Y463 HydrophobicContact CE2-CE2 3.71Å; Y399-F477 VanDerWaalsContact OH-CE2 3.27Å; Y399-F477 WeakPolarHBondContact OH-CE2 3.45Å; Y399-V479 HydrophobicContact CD1-CG1 3.95Å; Y399-V479 HydrophobicContact CD1-CG2 4.25Å; Y399-V479 HydrophobicContact CD2-CG2 4.43Å; Y399-V479 HydrophobicContact CE1-CB 4.25Å; Y399-V479 HydrophobicContact CE1-CG1 4.14Å; Y399-V479 HydrophobicContact CE1-CG2 3.79Å; Y399-V479 HydrophobicContact CE2-CG2 4Å; Y399-V479 HydrophobicContact CG-CG1 4.42Å; Y399-I488 HydrophobicContact CE1-CD1 3.73Å
400	Y	95.2	Very high	95.7	Very high	12 Å²	12	19.4 Å²	19.4	5%	0.047	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.1	175.5	-86.4	-72	0	0	0	115.5	E341 D397 K431 W452 R623 L624 R626	E341-Y400 PolarHBondContact OE1-OH 2.63Å; D397-Y400 WeakPolarHBondContact O-CD2 3.4Å; Y400-K431 HydrophobicContact CD2-CD 3.99Å; Y400-K431 HydrophobicContact CE2-CD 3.73Å; Y400-K431 PolarHBondContact OH-NZ 2.84Å; Y400-W452 AromaticContact CD1-NE1 3.54Å; Y400-W452 AromaticContact CE1-NE1 3.81Å; Y400-R623 HydrophobicContact CD1-CG 3.79Å; Y400-R623 HydrophobicContact CG-CG 4.08Å; Y400-R623 WeakPolarHBondContact O-CG 3.34Å; Y400-L624 WeakPolarHBondContact CD1-O 3.4Å; Y400-L624 PolarHBondContact O-N 2.79Å; Y400-R626 HydrophobicContact CE1-CB 3.69Å; Y400-R626 PolarHBondContact OH-NE 3.23Å
401	H	96.4	Very high	95.8	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.032	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	45.9	170.3	-59.1	-90.1	0	0	0	111.2	Y399 D403 L404 Y430 I619	Y399-H401 PolarHBondContact O-N 2.89Å; H401-D403 WeakPolarHBondContact CA-OD1 3.44Å; H401-D403 PolarHBondContact O-N 2.97Å; H401-L404 HydrophobicContact CB-CD1 3.63Å; H401-L404 HydrophobicContact CB-CG 4.04Å; H401-L404 WeakPolarHBondContact O-CB 3.43Å; H401-L404 PolarHBondContact O-N 3.18Å; H401-Y430 AromaticContact NE2-CE1 3.44Å; H401-Y430 WeakPolarHBondContact NE2-CE1 3.31Å; H401-Y430 AromaticContact NE2-CZ 3.6Å; H401-Y430 PolarHBondContact NE2-OH 2.74Å; H401-I619 PolarHBondContact CE1-O 2.96Å
402	A	97.5	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	174.3	0	0	0	0	0	113.3	Y399 L404 L405 S406 T461 F486 L624	Y399-A402 WeakPolarHBondContact O-CB 3.47Å; Y399-A402 PolarHBondContact O-N 3.45Å; A402-L404 PolarHBondContact O-N 3.36Å; A402-L405 WeakPolarHBondContact O-CB 3.29Å; A402-L405 PolarHBondContact O-N 2.92Å; A402-L405 VanDerWaalsContact O-N 3.16Å; A402-S406 PolarHBondContact O-N 3.33Å; A402-S406 VanDerWaalsContact O-N 3.12Å; A402-S406 PolarHBondContact O-OG 3.09Å; A402-T461 HydrophobicContact CB-CG2 3.98Å; A402-F486 HydrophobicContact CB-CZ 4.2Å; A402-L624 HydrophobicContact CB-CD1 3.98Å
403	D	96.6	Very high	95.6	Very high	39 Å²	39	32 Å²	32	21%	0.209	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-27.6	166.2	66.6	-68.8	0	0	0	112.4	H401 S406 Q407	H401-D403 WeakPolarHBondContact CA-OD1 3.44Å; H401-D403 PolarHBondContact O-N 2.97Å; D403-S406 WeakPolarHBondContact O-CB 3.47Å; D403-S406 PolarHBondContact O-N 3.19Å; D403-Q407 WeakPolarHBondContact O-CG 3.44Å; D403-Q407 PolarHBondContact O-N 3.47Å; D403-Q407 PolarHBondContact O-NE2 2.94Å; D403-Q407 PolarHBondContact OD2-NE2 2.95Å
404	L	97.3	Very high	95.6	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-72.4	-31.8	175.3	-63.5	171.2	0	0	0	112.2	H401 A402 S406 A408 R423 W424 W613	H401-L404 HydrophobicContact CB-CD1 3.63Å; H401-L404 HydrophobicContact CB-CG 4.04Å; H401-L404 WeakPolarHBondContact O-CB 3.43Å; H401-L404 PolarHBondContact O-N 3.18Å; A402-L404 PolarHBondContact O-N 3.36Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 3.03Å; L404-R423 HydrophobicContact CD1-CG 4.38Å; L404-R423 HydrophobicContact CD2-CG 4.49Å; L404-W424 HydrophobicContact CB-CB 3.79Å; L404-W424 HydrophobicContact CD1-CB 4.48Å; L404-W613 HydrophobicContact CD1-CZ3 3.93Å
405	L	97.9	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.2	-35.6	169.2	-68.3	171.8	0	0	0	111.3	A402 A408 S409 W424 F486 I488 L513	A402-L405 WeakPolarHBondContact O-CB 3.29Å; A402-L405 PolarHBondContact O-N 2.92Å; A402-L405 VanDerWaalsContact O-N 3.16Å; L405-A408 CarbonylContact O-C 3.47Å; L405-A408 PolarHBondContact O-N 3.23Å; L405-A408 VanDerWaalsContact O-N 3.16Å; L405-S409 PolarHBondContact O-N 2.79Å; L405-W424 HydrophobicContact CD1-CD2 4.03Å; L405-W424 HydrophobicContact CD1-CG 4.32Å; L405-W424 HydrophobicContact CD1-CZ2 4.18Å; L405-W424 HydrophobicContact CD2-CB 4.23Å; L405-W424 HydrophobicContact CD2-CD2 3.55Å; L405-W424 HydrophobicContact CD2-CE3 3.64Å; L405-W424 HydrophobicContact CD2-CG 3.78Å; L405-W424 HydrophobicContact CD2-CZ3 4.3Å; L405-W424 HydrophobicContact CG-CB 4.35Å; L405-W424 HydrophobicContact CG-CD2 3.75Å; L405-W424 HydrophobicContact CG-CE3 4.34Å; L405-W424 HydrophobicContact CG-CG 3.68Å; L405-F486 HydrophobicContact CB-CD1 3.95Å; L405-F486 HydrophobicContact CB-CD2 4.03Å; L405-F486 HydrophobicContact CB-CE1 3.87Å; L405-F486 HydrophobicContact CB-CE2 3.97Å; L405-F486 HydrophobicContact CB-CG 4.03Å; L405-F486 HydrophobicContact CB-CZ 3.89Å; L405-F486 HydrophobicContact CD1-CD2 3.84Å; L405-F486 HydrophobicContact CD1-CE2 3.55Å; L405-F486 HydrophobicContact CD1-CZ 4.13Å; L405-F486 HydrophobicContact CG-CE2 4.42Å; L405-I488 HydrophobicContact CD1-CD1 3.55Å; L405-L513 HydrophobicContact CD2-CD1 4.02Å; L405-L513 HydrophobicContact CD2-CD2 3.65Å
406	S	96.8	Very high	95.9	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-36.8	176.2	-43.4	0	0	0	0	111.3	A402 D403 L404 S409 H454 D484 F486	A402-S406 PolarHBondContact O-N 3.33Å; A402-S406 VanDerWaalsContact O-N 3.12Å; A402-S406 PolarHBondContact O-OG 3.09Å; D403-S406 WeakPolarHBondContact O-CB 3.47Å; D403-S406 PolarHBondContact O-N 3.19Å; L404-S406 VanDerWaalsContact C-N 3.33Å; S406-S409 PolarHBondContact O-OG 2.83Å; S406-S409 VanDerWaalsContact O-OG 3.05Å; S406-H454 PolarHBondContact OG-CE1 2.92Å; S406-H454 PolarHBondContact OG-ND1 2.72Å; S406-D484 WeakPolarHBondContact CB-OD2 3.28Å; S406-D484 PolarHBondContact OG-OD2 3.24Å; S406-D484 VanDerWaalsContact OG-OD2 3.09Å; S406-F486 WeakPolarHBondContact OG-CE1 3.4Å
407	Q	96.7	Very high	96	Very high	70 Å²	70	33.6 Å²	33.6	33%	0.327	17%	0.173	S	C	.	.	H	α-helix	trans	-68.4	-39.2	168.8	-69.3	156.2	56.6	0	0	111.6	D403 S409 L410 E411	D403-Q407 WeakPolarHBondContact O-CG 3.44Å; D403-Q407 PolarHBondContact O-N 3.47Å; D403-Q407 PolarHBondContact O-NE2 2.94Å; D403-Q407 PolarHBondContact OD2-NE2 2.95Å; Q407-S409 PolarHBondContact O-N 3.14Å; Q407-L410 PolarHBondContact O-N 2.94Å; Q407-E411 PolarHBondContact O-N 2.89Å
408	A	97.4	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.5	-23.3	-179	0	0	0	0	0	114.3	L404 L405 R417 Q420 V421 F515	L404-A408 WeakPolarHBondContact O-CB 3.29Å; L404-A408 PolarHBondContact O-N 3.03Å; L405-A408 CarbonylContact O-C 3.47Å; L405-A408 PolarHBondContact O-N 3.23Å; L405-A408 VanDerWaalsContact O-N 3.16Å; A408-R417 WeakPolarHBondContact O-CG 3.37Å; A408-Q420 HydrophobicContact CB-CB 3.78Å; A408-V421 HydrophobicContact CB-CG2 4.17Å; A408-F515 HydrophobicContact CB-CE1 4.04Å; A408-F515 HydrophobicContact CB-CZ 3.62Å
409	S	95.9	Very high	96.3	Very high	8 Å²	8	33.7 Å²	33.7	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-33.5	173.7	67.7	0	0	0	0	112	L405 S406 Q407 D484 R518	L405-S409 PolarHBondContact O-N 2.79Å; S406-S409 PolarHBondContact O-OG 2.83Å; S406-S409 VanDerWaalsContact O-OG 3.05Å; Q407-S409 PolarHBondContact O-N 3.14Å; S409-D484 WeakPolarHBondContact CB-O 3.44Å; S409-D484 PolarHBondContact OG-O 2.75Å; S409-R518 PolarHBondContact O-NE 2.87Å
410	L	95.1	Very high	96.4	Very high	129 Å²	129	34.4 Å²	34.4	68%	0.675	18%	0.177	S	C	*	.	H	α-helix	trans	-73.5	-41.1	-179.8	-60.8	174.9	0	0	0	112.8	Q407 E412 R518	Q407-L410 PolarHBondContact O-N 2.94Å; L410-E412 PolarHBondContact O-N 3.07Å; L410-R518 PolarHBondContact O-NH2 3.38Å
411	E	96.6	Very high	96.6	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	18%	0.175	S	C	.	.			trans	-41.9	121.4	178.5	-81.1	-75.2	173.6	0	0	113.7	Q407 R417 Q420 R518	Q407-E411 PolarHBondContact O-N 2.89Å; E411-R417 HydrophobicContact CB-CB 4.47Å; E411-R417 HydrophobicContact CB-CG 3.54Å; E411-R417 WeakPolarHBondContact O-CG 3.45Å; E411-R417 PolarHBondContact O-NH1 2.93Å; E411-Q420 HydrophobicContact CG-CG 4.01Å; E411-R518 VanDerWaalsContact O-CZ 3.3Å; E411-R518 PolarHBondContact O-NE 3.11Å; E411-R518 PolarHBondContact O-NH2 2.97Å; E411-R518 VanDerWaalsContact O-NH2 3.14Å
412	E	94.8	Very high	96.6	Very high	169 Å²	169	33.5 Å²	33.5	79%	0.79	17%	0.173	S	C	*	.			trans	-79.9	-36.6	-174.6	-64.8	-171	158.6	0	0	113.8	L410 R417	L410-E412 PolarHBondContact O-N 3.07Å; E412-R417 PolarHBondContact O-NH1 3.01Å
413	S	95.4	Very high	96.6	Very high	59 Å²	59	36.8 Å²	36.8	41%	0.413	19%	0.186	S	C	.	.	S	Bend	trans	-85.6	139.2	-179.9	76	0	0	0	0	111.4	Y415 G416 R417	S413-Y415 PolarHBondContact O-N 3.11Å; S413-G416 PolarHBondContact O-N 2.65Å; S413-G416 VanDerWaalsContact O-N 3.15Å; S413-G416 WeakPolarHBondContact OG-CA 3.21Å; S413-G416 PolarHBondContact OG-N 2.68Å; S413-R417 PolarHBondContact O-N 2.78Å; S413-R417 PolarHBondContact O-NH1 3.38Å
414	A	95.1	Very high	96.7	Very high	24 Å²	24	35.2 Å²	35.2	20%	0.198	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-29.4	177.8	0	0	0	0	0	112.4	I418 T554	A414-I418 WeakPolarHBondContact O-CG2 3.42Å; A414-I418 PolarHBondContact O-N 3.17Å; A414-T554 HydrophobicContact CB-CG2 3.96Å
415	Y	95.5	Very high	96.7	Very high	44 Å²	44	35.1 Å²	35.1	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-48.3	171.4	176.7	-108.4	0	0	0	112.6	S413 R417 I418 K419 I581 I583 L588 A589 E603	S413-Y415 PolarHBondContact O-N 3.11Å; Y415-R417 VanDerWaalsContact C-N 3.32Å; Y415-R417 PolarHBondContact O-N 3.01Å; Y415-I418 WeakPolarHBondContact O-CG2 3.4Å; Y415-I418 PolarHBondContact O-N 3.19Å; Y415-K419 HydrophobicContact CE1-CD 4.46Å; Y415-K419 VanDerWaalsContact O-CB 3.26Å; Y415-K419 WeakPolarHBondContact O-CB 3.5Å; Y415-K419 PolarHBondContact O-N 2.93Å; Y415-I581 HydrophobicContact CD2-CG2 4.14Å; Y415-I581 HydrophobicContact CE2-CB 4.48Å; Y415-I581 HydrophobicContact CE2-CD1 4.07Å; Y415-I581 HydrophobicContact CE2-CG2 4.22Å; Y415-I583 HydrophobicContact CD2-CD1 4.27Å; Y415-L588 HydrophobicContact CD2-CB 4.43Å; Y415-L588 HydrophobicContact CD2-CD1 3.81Å; Y415-L588 HydrophobicContact CE2-CB 4.2Å; Y415-L588 HydrophobicContact CE2-CD1 4.39Å; Y415-L588 HydrophobicContact CG-CD1 4.39Å; Y415-A589 HydrophobicContact CE2-CB 4.35Å; Y415-E603 WeakPolarHBondContact CE1-OE1 3.47Å; Y415-E603 WeakPolarHBondContact OH-CG 3.31Å; Y415-E603 PolarHBondContact OH-OE1 2.73Å
416	G	96	Very high	96.6	Very high	7 Å²	7	35.1 Å²	35.1	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-43.2	173.9	0	0	0	0	0	112.1	S413 K419 Q420	S413-G416 PolarHBondContact O-N 2.65Å; S413-G416 VanDerWaalsContact O-N 3.15Å; S413-G416 WeakPolarHBondContact OG-CA 3.21Å; S413-G416 PolarHBondContact OG-N 2.68Å; G416-K419 PolarHBondContact O-N 3.33Å; G416-Q420 WeakPolarHBondContact O-CB 3.26Å; G416-Q420 WeakPolarHBondContact O-CG 3.2Å; G416-Q420 PolarHBondContact O-N 2.9Å
417	R	97.1	Very high	96.6	Very high	9 Å²	9	34.8 Å²	34.8	3%	0.034	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-56.4	172.5	-73.9	-162.3	-68.4	-69.3	0.1	112.7	A408 E411 E412 S413 Y415 K419 Q420 V421 E520 Y522	A408-R417 WeakPolarHBondContact O-CG 3.37Å; E411-R417 HydrophobicContact CB-CB 4.47Å; E411-R417 HydrophobicContact CB-CG 3.54Å; E411-R417 WeakPolarHBondContact O-CG 3.45Å; E411-R417 PolarHBondContact O-NH1 2.93Å; E412-R417 PolarHBondContact O-NH1 3.01Å; S413-R417 PolarHBondContact O-N 2.78Å; S413-R417 PolarHBondContact O-NH1 3.38Å; Y415-R417 VanDerWaalsContact C-N 3.32Å; Y415-R417 PolarHBondContact O-N 3.01Å; R417-K419 VanDerWaalsContact C-N 3.28Å; R417-K419 PolarHBondContact O-N 3.44Å; R417-Q420 PolarHBondContact O-N 3.21Å; R417-Q420 VanDerWaalsContact O-N 3.16Å; R417-V421 WeakPolarHBondContact O-CG2 3.41Å; R417-V421 PolarHBondContact O-N 3.41Å; R417-E520 IonicContact CZ-OE1 3.71Å; R417-E520 IonicContact CZ-OE2 3.88Å; R417-E520 VanDerWaalsContact CZ-OE2 3.32Å; R417-E520 IonicContact NE-OE1 2.88Å; R417-E520 IonicContact NE-OE2 2.75Å; R417-E520 PolarHBondContact NE-OE2 3.38Å; R417-E520 VanDerWaalsContact NH2-CD 3.29Å; R417-E520 IonicContact NH2-OE1 2.79Å; R417-E520 PolarHBondContact NH2-OE1 2.89Å; R417-E520 IonicContact NH2-OE2 3.94Å; R417-E520 PolarHBondContact NH2-OE2 3.34Å; R417-E520 VanDerWaalsContact NH2-OE2 3.09Å; R417-Y522 WeakPolarHBondContact CB-OH 3.34Å
418	I	97.1	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-32.6	-177.6	-165.4	164.9	0	0	0	112.3	A414 Y415 V421 L422 Y522 I549 C556 A558 I581	A414-I418 WeakPolarHBondContact O-CG2 3.42Å; A414-I418 PolarHBondContact O-N 3.17Å; Y415-I418 WeakPolarHBondContact O-CG2 3.4Å; Y415-I418 PolarHBondContact O-N 3.19Å; I418-V421 PolarHBondContact O-N 3.3Å; I418-L422 HydrophobicContact CG1-CD1 4.34Å; I418-L422 WeakPolarHBondContact O-CB 3.48Å; I418-L422 WeakPolarHBondContact O-CD1 2.91Å; I418-L422 VanDerWaalsContact O-CG 3.25Å; I418-L422 WeakPolarHBondContact O-CG 3.39Å; I418-L422 PolarHBondContact O-N 2.93Å; I418-Y522 HydrophobicContact CB-CE1 4.06Å; I418-Y522 HydrophobicContact CD1-CE1 4.34Å; I418-Y522 HydrophobicContact CG1-CE1 4.17Å; I418-I549 HydrophobicContact CD1-CG2 4.31Å; I418-I549 HydrophobicContact CG1-CG2 4.25Å; I418-C556 HydrophobicContact CD1-CB 3.84Å; I418-A558 HydrophobicContact CD1-CB 3.75Å; I418-A558 HydrophobicContact CG1-CB 4.19Å; I418-I581 HydrophobicContact CG2-CD1 4.46Å; I418-I581 HydrophobicContact CG2-CG2 3.76Å
419	K	96.8	Very high	96.1	Very high	43 Å²	43	32.4 Å²	32.4	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-45.5	171.6	177.7	177.4	168.7	176.5	0	112.2	Y415 G416 R417 L422 R423 E610 L612	Y415-K419 HydrophobicContact CE1-CD 4.46Å; Y415-K419 VanDerWaalsContact O-CB 3.26Å; Y415-K419 WeakPolarHBondContact O-CB 3.5Å; Y415-K419 PolarHBondContact O-N 2.93Å; G416-K419 PolarHBondContact O-N 3.33Å; R417-K419 VanDerWaalsContact C-N 3.28Å; R417-K419 PolarHBondContact O-N 3.44Å; K419-L422 PolarHBondContact O-N 3Å; K419-R423 PolarHBondContact O-N 3.16Å; K419-E610 VanDerWaalsContact CE-OE1 3.31Å; K419-E610 WeakPolarHBondContact CE-OE1 3.46Å; K419-E610 IonicContact NZ-OE1 3.09Å; K419-E610 PolarHBondContact NZ-OE1 3.04Å; K419-E610 IonicContact NZ-OE2 3.32Å; K419-E610 PolarHBondContact NZ-OE2 2.64Å; K419-L612 HydrophobicContact CG-CD1 3.85Å
420	Q	97.6	Very high	95.6	Very high	21 Å²	21	32.5 Å²	32.5	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-73.5	-33.5	177.4	-71.5	-86.6	80.2	0	0	112.6	A408 E411 G416 R417 R423 W424	A408-Q420 HydrophobicContact CB-CB 3.78Å; E411-Q420 HydrophobicContact CG-CG 4.01Å; G416-Q420 WeakPolarHBondContact O-CB 3.26Å; G416-Q420 WeakPolarHBondContact O-CG 3.2Å; G416-Q420 PolarHBondContact O-N 2.9Å; R417-Q420 PolarHBondContact O-N 3.21Å; R417-Q420 VanDerWaalsContact O-N 3.16Å; Q420-R423 WeakPolarHBondContact O-CB 3.39Å; Q420-R423 PolarHBondContact O-N 3.13Å; Q420-W424 PolarHBondContact O-N 2.8Å
421	V	98.3	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-42	170.5	172.5	0	0	0	0	111.4	A408 R417 I418 R423 W424 Y425 L513 F515 I524 I549	A408-V421 HydrophobicContact CB-CG2 4.17Å; R417-V421 WeakPolarHBondContact O-CG2 3.41Å; R417-V421 PolarHBondContact O-N 3.41Å; I418-V421 PolarHBondContact O-N 3.3Å; V421-R423 VanDerWaalsContact C-N 3.34Å; V421-R423 PolarHBondContact O-N 3.46Å; V421-W424 PolarHBondContact O-N 2.92Å; V421-Y425 VanDerWaalsContact O-CB 3.31Å; V421-Y425 WeakPolarHBondContact O-CB 3.04Å; V421-Y425 PolarHBondContact O-N 3.41Å; V421-L513 HydrophobicContact CB-CD2 4.49Å; V421-L513 HydrophobicContact CG1-CD2 3.89Å; V421-L513 HydrophobicContact CG2-CD2 3.72Å; V421-F515 HydrophobicContact CG2-CE2 4Å; V421-F515 HydrophobicContact CG2-CZ 3.74Å; V421-I524 HydrophobicContact CG1-CD1 4.03Å; V421-I549 HydrophobicContact CG1-CD1 4.33Å; V421-I549 HydrophobicContact CG1-CG2 3.95Å
422	L	97.8	Very high	93.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-41	172.5	-78.7	160.2	0	0	0	112	I418 K419 Y425 L426 I549 A558 L560 I581 I591 L612	I418-L422 HydrophobicContact CG1-CD1 4.34Å; I418-L422 WeakPolarHBondContact O-CB 3.48Å; I418-L422 WeakPolarHBondContact O-CD1 2.91Å; I418-L422 VanDerWaalsContact O-CG 3.25Å; I418-L422 WeakPolarHBondContact O-CG 3.39Å; I418-L422 PolarHBondContact O-N 2.93Å; K419-L422 PolarHBondContact O-N 3Å; L422-Y425 PolarHBondContact O-N 2.82Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.29Å; L422-L426 PolarHBondContact O-N 3.24Å; L422-I549 HydrophobicContact CD2-CD1 3.89Å; L422-I549 HydrophobicContact CG-CD1 4.36Å; L422-A558 HydrophobicContact CD1-CB 3.79Å; L422-A558 HydrophobicContact CD2-CB 3.96Å; L422-A558 HydrophobicContact CG-CB 4.21Å; L422-L560 HydrophobicContact CD2-CD1 3.67Å; L422-L560 HydrophobicContact CD2-CD2 4.3Å; L422-L560 HydrophobicContact CD2-CG 3.89Å; L422-I581 HydrophobicContact CD1-CD1 3.48Å; L422-I581 VanDerWaalsContact CD1-CD1 3.48Å; L422-I581 HydrophobicContact CD1-CG1 3.75Å; L422-I591 HydrophobicContact CD1-CD1 3.88Å; L422-I591 HydrophobicContact CD2-CD1 4.48Å; L422-L612 HydrophobicContact CB-CD2 4.47Å
423	R	97.4	Very high	92.1	Very high	70 Å²	70	18.6 Å²	18.6	26%	0.264	10%	0.098	S	C	.	.	H	α-helix	trans	-65.4	-44.3	177	-175.7	-179.8	179	-148.5	-2.2	112.3	L404 K419 Q420 V421 S427 L612 W613	L404-R423 HydrophobicContact CD1-CG 4.38Å; L404-R423 HydrophobicContact CD2-CG 4.49Å; K419-R423 PolarHBondContact O-N 3.16Å; Q420-R423 WeakPolarHBondContact O-CB 3.39Å; Q420-R423 PolarHBondContact O-N 3.13Å; V421-R423 VanDerWaalsContact C-N 3.34Å; V421-R423 PolarHBondContact O-N 3.46Å; R423-S427 PolarHBondContact O-N 3.09Å; R423-L612 HydrophobicContact CB-CD1 4.35Å; R423-L612 WeakPolarHBondContact CD-O 3.46Å; R423-L612 VanDerWaalsContact CG-O 3.29Å; R423-L612 WeakPolarHBondContact CG-O 3.43Å; R423-W613 HydrophobicContact CG-CE3 3.85Å; R423-W613 HydrophobicContact CG-CZ3 4.47Å
424	W	97.6	Very high	90.5	Very high	6 Å²	6	20.9 Å²	20.9	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-50.2	169.8	165	65	0	0	0	110.9	Y398 Y399 L404 L405 Q420 V421 L426 S427 I488 I524	Y398-W424 PolarHBondContact O-NE1 3.18Å; Y398-W424 VanDerWaalsContact O-NE1 3.08Å; Y399-W424 AromaticContact CD1-CZ2 3.93Å; Y399-W424 HydrophobicContact CD1-CZ2 3.93Å; Y399-W424 HydrophobicContact CE1-CH2 4.21Å; Y399-W424 AromaticContact CE1-CZ2 3.55Å; Y399-W424 HydrophobicContact CE1-CZ2 3.55Å; L404-W424 HydrophobicContact CB-CB 3.79Å; L404-W424 HydrophobicContact CD1-CB 4.48Å; L405-W424 HydrophobicContact CD1-CD2 4.03Å; L405-W424 HydrophobicContact CD1-CG 4.32Å; L405-W424 HydrophobicContact CD1-CZ2 4.18Å; L405-W424 HydrophobicContact CD2-CB 4.23Å; L405-W424 HydrophobicContact CD2-CD2 3.55Å; L405-W424 HydrophobicContact CD2-CE3 3.64Å; L405-W424 HydrophobicContact CD2-CG 3.78Å; L405-W424 HydrophobicContact CD2-CZ3 4.3Å; L405-W424 HydrophobicContact CG-CB 4.35Å; L405-W424 HydrophobicContact CG-CD2 3.75Å; L405-W424 HydrophobicContact CG-CE3 4.34Å; L405-W424 HydrophobicContact CG-CG 3.68Å; Q420-W424 PolarHBondContact O-N 2.8Å; V421-W424 PolarHBondContact O-N 2.92Å; W424-L426 VanDerWaalsContact C-N 3.35Å; W424-L426 PolarHBondContact O-N 3.06Å; W424-S427 WeakPolarHBondContact O-CA 3.46Å; W424-S427 VanDerWaalsContact O-CB 3.23Å; W424-S427 WeakPolarHBondContact O-CB 3.27Å; W424-S427 PolarHBondContact O-N 3.35Å; W424-S427 PolarHBondContact O-OG 2.79Å; W424-I488 HydrophobicContact CH2-CD1 3.79Å; W424-I488 HydrophobicContact CZ2-CD1 4.05Å; W424-I488 HydrophobicContact CZ3-CD1 4.37Å; W424-I524 HydrophobicContact CZ3-CD1 3.94Å
425	Y	97.7	Very high	89.1	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-45.3	-177.6	-174.7	-95	0	0	0	112.2	V421 L422 S427 G428 F429 I524 T525 M526 P527 V547 I549 L560 F562	V421-Y425 VanDerWaalsContact O-CB 3.31Å; V421-Y425 WeakPolarHBondContact O-CB 3.04Å; V421-Y425 PolarHBondContact O-N 3.41Å; L422-Y425 PolarHBondContact O-N 2.82Å; Y425-S427 PolarHBondContact O-N 2.62Å; Y425-G428 PolarHBondContact O-N 2.71Å; Y425-F429 AromaticContact CD1-CE2 3.73Å; Y425-F429 HydrophobicContact CD1-CE2 3.73Å; Y425-F429 HydrophobicContact CD1-CZ 4.32Å; Y425-F429 AromaticContact CE1-CE2 3.44Å; Y425-F429 HydrophobicContact CE1-CE2 3.44Å; Y425-F429 VanDerWaalsContact CE1-CE2 3.44Å; Y425-F429 AromaticContact CE1-CZ 3.61Å; Y425-F429 HydrophobicContact CE1-CZ 3.61Å; Y425-F429 HydrophobicContact CG-CE2 4.47Å; Y425-F429 AromaticContact CZ-CZ 3.77Å; Y425-F429 WeakPolarHBondContact O-CD2 3.34Å; Y425-F429 WeakPolarHBondContact O-CE2 3.43Å; Y425-I524 HydrophobicContact CD2-CG2 3.68Å; Y425-I524 HydrophobicContact CE2-CG2 3.4Å; Y425-I524 VanDerWaalsContact CE2-CG2 3.4Å; Y425-T525 PolarHBondContact OH-O 3.04Å; Y425-M526 HydrophobicContact CE2-SD 4.21Å; Y425-P527 VanDerWaalsContact OH-CD 3.31Å; Y425-P527 WeakPolarHBondContact OH-CD 3.36Å; Y425-V547 HydrophobicContact CE1-CB 4.42Å; Y425-V547 HydrophobicContact CE1-CG1 3.69Å; Y425-V547 HydrophobicContact CE1-CG2 4.22Å; Y425-V547 HydrophobicContact CE2-CG1 4.42Å; Y425-V547 WeakPolarHBondContact OH-CG1 3.5Å; Y425-V547 WeakPolarHBondContact OH-CG2 3.3Å; Y425-I549 HydrophobicContact CD1-CD1 4.31Å; Y425-I549 HydrophobicContact CD2-CD1 4.18Å; Y425-I549 HydrophobicContact CG-CD1 3.89Å; Y425-L560 HydrophobicContact CD1-CD1 4.22Å; Y425-L560 HydrophobicContact CE1-CD1 4.49Å; Y425-F562 HydrophobicContact CE1-CE2 4.33Å; Y425-F562 HydrophobicContact CE1-CZ 4.38Å
426	L	96.8	Very high	88.1	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-27.7	175.2	-71.8	168.6	0	0	0	113.2	L422 W424 G428 F429 L560 I577 V599 L612 W613	L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.29Å; L422-L426 PolarHBondContact O-N 3.24Å; W424-L426 VanDerWaalsContact C-N 3.35Å; W424-L426 PolarHBondContact O-N 3.06Å; L426-G428 VanDerWaalsContact C-N 3.27Å; L426-G428 PolarHBondContact O-N 2.72Å; L426-F429 PolarHBondContact O-N 3.03Å; L426-L560 HydrophobicContact CD2-CD1 4.19Å; L426-L560 HydrophobicContact CG-CD1 4.5Å; L426-I577 HydrophobicContact CD2-CD1 3.64Å; L426-V599 HydrophobicContact CD1-CB 4.3Å; L426-V599 HydrophobicContact CD1-CG1 3.93Å; L426-V599 HydrophobicContact CD1-CG2 4.33Å; L426-L612 HydrophobicContact CD1-CD2 3.72Å; L426-L612 HydrophobicContact CD1-CG 4.2Å; L426-W613 HydrophobicContact CB-CB 4.17Å; L426-W613 HydrophobicContact CB-CG 3.98Å; L426-W613 HydrophobicContact CD1-CB 4.07Å
427	S	95.1	Very high	87.4	Confident	4 Å²	4	21 Å²	21	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-24.4	179.4	84.4	0	0	0	0	114.2	R423 W424 Y425 F429 Y430 W613	R423-S427 PolarHBondContact O-N 3.09Å; W424-S427 WeakPolarHBondContact O-CA 3.46Å; W424-S427 VanDerWaalsContact O-CB 3.23Å; W424-S427 WeakPolarHBondContact O-CB 3.27Å; W424-S427 PolarHBondContact O-N 3.35Å; W424-S427 PolarHBondContact O-OG 2.79Å; Y425-S427 PolarHBondContact O-N 2.62Å; S427-F429 VanDerWaalsContact C-N 3.3Å; S427-F429 PolarHBondContact O-N 3.02Å; S427-Y430 WeakPolarHBondContact O-CD1 3.46Å; S427-Y430 WeakPolarHBondContact O-CE1 3.41Å; S427-W613 VanDerWaalsContact CA-CZ2 3.48Å
428	G	93.2	Very high	86.9	Confident	8 Å²	8	23.6 Å²	23.6	8%	0.082	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.7	-179.9	0	0	0	0	0	114.5	Y425 L426	Y425-G428 PolarHBondContact O-N 2.71Å; L426-G428 VanDerWaalsContact C-N 3.27Å; L426-G428 PolarHBondContact O-N 2.72Å
429	F	90.8	Very high	86.6	Confident	12 Å²	12	24.4 Å²	24.4	5%	0.053	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.9	-166.9	-60.6	-75	0	0	0	115.3	Y398 Y425 L426 S427 K431 P527 L543 F562 W595	Y398-F429 HydrophobicContact CE1-CD1 4.18Å; Y398-F429 AromaticContact CE1-CE1 3.66Å; Y398-F429 HydrophobicContact CE1-CE1 3.66Å; Y398-F429 HydrophobicContact CE1-CE2 4.27Å; Y398-F429 AromaticContact CE1-CZ 3.72Å; Y398-F429 HydrophobicContact CE1-CZ 3.72Å; Y398-F429 AromaticContact CZ-CE1 3.97Å; Y398-F429 WeakPolarHBondContact OH-CE1 3.47Å; Y425-F429 AromaticContact CD1-CE2 3.73Å; Y425-F429 HydrophobicContact CD1-CE2 3.73Å; Y425-F429 HydrophobicContact CD1-CZ 4.32Å; Y425-F429 AromaticContact CE1-CE2 3.44Å; Y425-F429 HydrophobicContact CE1-CE2 3.44Å; Y425-F429 VanDerWaalsContact CE1-CE2 3.44Å; Y425-F429 AromaticContact CE1-CZ 3.61Å; Y425-F429 HydrophobicContact CE1-CZ 3.61Å; Y425-F429 HydrophobicContact CG-CE2 4.47Å; Y425-F429 AromaticContact CZ-CZ 3.77Å; Y425-F429 WeakPolarHBondContact O-CD2 3.34Å; Y425-F429 WeakPolarHBondContact O-CE2 3.43Å; L426-F429 PolarHBondContact O-N 3.03Å; S427-F429 VanDerWaalsContact C-N 3.3Å; S427-F429 PolarHBondContact O-N 3.02Å; F429-K431 PolarHBondContact O-N 3.23Å; F429-P527 HydrophobicContact CE1-CG 3.63Å; F429-P527 HydrophobicContact CZ-CG 3.92Å; F429-L543 HydrophobicContact CB-CD1 4.4Å; F429-L543 HydrophobicContact CD1-CD1 3.4Å; F429-L543 HydrophobicContact CE1-CD1 3.97Å; F429-L543 HydrophobicContact CG-CD1 4.16Å; F429-F562 HydrophobicContact CD1-CE1 4.41Å; F429-F562 HydrophobicContact CD2-CE1 4.25Å; F429-F562 HydrophobicContact CD2-CZ 4.03Å; F429-F562 HydrophobicContact CE1-CE1 4.4Å; F429-F562 HydrophobicContact CE1-CZ 4.31Å; F429-F562 HydrophobicContact CE2-CE1 4.26Å; F429-F562 AromaticContact CE2-CZ 3.66Å; F429-F562 HydrophobicContact CE2-CZ 3.66Å; F429-F562 HydrophobicContact CG-CE1 4.32Å; F429-F562 HydrophobicContact CZ-CE1 4.32Å; F429-F562 AromaticContact CZ-CZ 3.8Å; F429-F562 HydrophobicContact CZ-CZ 3.8Å; F429-W595 HydrophobicContact CB-CD2 4.29Å; F429-W595 HydrophobicContact CB-CE3 3.57Å; F429-W595 HydrophobicContact CB-CZ3 4.05Å; F429-W595 VanDerWaalsContact O-CZ3 3.3Å; F429-W595 WeakPolarHBondContact O-CZ3 3.48Å
430	Y	85.1	Confident	86.4	Confident	10 Å²	10	22.5 Å²	22.5	4%	0.039	11%	0.109	C	C	.	.	S	Bend	trans	-69.9	-15.2	-174.9	82	-90.8	0	0	0	113.6	M343 H401 S427 K432 W613 P615 R620	M343-Y430 HydrophobicContact CE-CD2 4.21Å; M343-Y430 HydrophobicContact CE-CE2 3.92Å; H401-Y430 AromaticContact NE2-CE1 3.44Å; H401-Y430 WeakPolarHBondContact NE2-CE1 3.31Å; H401-Y430 AromaticContact NE2-CZ 3.6Å; H401-Y430 PolarHBondContact NE2-OH 2.74Å; S427-Y430 WeakPolarHBondContact O-CD1 3.46Å; S427-Y430 WeakPolarHBondContact O-CE1 3.41Å; Y430-K432 VanDerWaalsContact C-N 3.34Å; Y430-K432 PolarHBondContact O-N 3.2Å; Y430-W613 AromaticContact CD1-CZ2 3.76Å; Y430-W613 HydrophobicContact CD1-CZ2 3.76Å; Y430-W613 HydrophobicContact CE1-CH2 4.49Å; Y430-W613 AromaticContact CE1-CZ2 3.86Å; Y430-W613 HydrophobicContact CE1-CZ2 3.86Å; Y430-P615 HydrophobicContact CD1-CB 3.83Å; Y430-P615 HydrophobicContact CD2-CB 3.93Å; Y430-P615 HydrophobicContact CE1-CB 4.41Å; Y430-P615 HydrophobicContact CG-CB 3.56Å; Y430-P615 HydrophobicContact CG-CG 4.23Å; Y430-R620 HydrophobicContact CD2-CG 4.39Å; Y430-R620 HydrophobicContact CE2-CG 3.7Å
431	K	77.8	Confident	86.2	Confident	15 Å²	15	24.2 Å²	24.2	7%	0.065	12%	0.119	C	C	.	.			trans	-78.5	77.7	176.2	-169.4	-171.1	171	-169.2	0	111	E341 M343 D397 Y400 F429	E341-K431 IonicContact OE1-NZ 2.7Å; E341-K431 PolarHBondContact OE1-NZ 2.82Å; E341-K431 WeakPolarHBondContact OE2-CE 3.41Å; E341-K431 IonicContact OE2-NZ 3.57Å; E341-K431 PolarHBondContact OE2-NZ 2.59Å; M343-K431 HydrophobicContact CE-CB 4.36Å; M343-K431 HydrophobicContact CE-CG 4.13Å; M343-K431 HydrophobicContact SD-CG 4.01Å; D397-K431 HydrophobicContact CB-CD 4.21Å; D397-K431 IonicContact OD1-NZ 3.29Å; D397-K431 PolarHBondContact OD1-NZ 3.24Å; D397-K431 IonicContact OD2-NZ 3.73Å; Y400-K431 HydrophobicContact CD2-CD 3.99Å; Y400-K431 HydrophobicContact CE2-CD 3.73Å; Y400-K431 PolarHBondContact OH-NZ 2.84Å; F429-K431 PolarHBondContact O-N 3.23Å
432	K	70.9	Confident	86	Confident	24 Å²	24	24.3 Å²	24.3	10%	0.104	12%	0.119	C	C	.	.			trans	-85.1	136.9	174.5	-52.3	-174.5	-159.6	177.3	0	111.6	A344 S350 Q351 Y430 N575 W595 D596	A344-K432 HydrophobicContact CB-CB 4.23Å; A344-K432 WeakPolarHBondContact CB-O 3.35Å; A344-K432 PolarHBondContact N-O 2.87Å; S350-K432 WeakPolarHBondContact OG-CD 3.4Å; S350-K432 PolarHBondContact OG-NZ 2.91Å; Q351-K432 HydrophobicContact CG-CD 4.2Å; Y430-K432 VanDerWaalsContact C-N 3.34Å; Y430-K432 PolarHBondContact O-N 3.2Å; K432-N575 PolarHBondContact NZ-ND2 3.4Å; K432-N575 VanDerWaalsContact NZ-ND2 3.17Å; K432-W595 HydrophobicContact CD-CH2 4.31Å; K432-W595 HydrophobicContact CD-CZ3 4.4Å; K432-W595 VanDerWaalsContact CE-CZ3 3.5Å; K432-W595 HydrophobicContact CG-CZ3 4.41Å; K432-D596 IonicContact NZ-OD2 2.78Å; K432-D596 PolarHBondContact NZ-OD2 2.99Å
433	P	64.1	Low	85.9	Confident	33 Å²	33	24.9 Å²	24.9	21%	0.214	12%	0.122	C	C	.	.			trans	-67.9	161.1	164.2	32.4	-34.5	0	0	0	110.2	A344 G435	A344-P433 WeakPolarHBondContact CB-O 3.4Å; P433-G435 PolarHBondContact O-N 3.31Å
434	K	63	Low	85.9	Confident	107 Å²	107	22.3 Å²	22.3	47%	0.465	11%	0.113	S	C	.	.	S	Bend	trans	-75.2	110.7	174.3	-67.4	-178.6	-177.5	-180	0	110.1	D342 M343 A344	D342-K434 WeakPolarHBondContact O-CE 3.38Å; D342-K434 IonicContact OD1-NZ 3.19Å; D342-K434 PolarHBondContact OD1-NZ 3.11Å; D342-K434 WeakPolarHBondContact OD2-CE 3.25Å; D342-K434 IonicContact OD2-NZ 3.55Å; D342-K434 PolarHBondContact OD2-NZ 2.87Å; M343-K434 WeakPolarHBondContact O-CE 3.35Å; A344-K434 HydrophobicContact CB-CG 3.93Å
435	G	65.7	Low	85.9	Confident	16 Å²	16	22.3 Å²	22.3	17%	0.165	12%	0.116	C	C	.	.	S	Bend	trans	88.2	-169.4	177.8	0	0	0	0	0	114.3	P433 K437	P433-G435 PolarHBondContact O-N 3.31Å; G435-K437 PolarHBondContact O-N 3.18Å; G435-K437 VanDerWaalsContact O-N 3.16Å
436	L	73.9	Confident	86	Confident	13 Å²	13	22.3 Å²	22.3	7%	0.068	12%	0.116	C	C	.	.	S	Bend	trans	-92.7	74.1	-168.3	-168.6	120	0	0	0	111	E353 M539 L541	E353-L436 HydrophobicContact CB-CB 3.64Å; E353-L436 PolarHBondContact OE2-N 3.46Å; L436-M539 HydrophobicContact CD1-CB 4.05Å; L436-M539 HydrophobicContact CD2-CB 4.26Å; L436-M539 HydrophobicContact CD2-CE 3.57Å; L436-M539 HydrophobicContact CD2-SD 4.4Å; L436-L541 HydrophobicContact CD1-CB 3.8Å; L436-L541 HydrophobicContact CG-CB 4.48Å
437	K	80.9	Confident	86.1	Confident	48 Å²	48	23.2 Å²	23.2	21%	0.209	12%	0.121	C	C	.	.			trans	-105.8	145.1	-175.8	-53.3	-53.2	176.6	-151.4	0	113.4	E353 F384 I385 E387 G435	E353-K437 IonicContact OE1-NZ 3.66Å; E353-K437 PolarHBondContact OE1-NZ 2.91Å; E353-K437 WeakPolarHBondContact OE2-CE 3.22Å; E353-K437 IonicContact OE2-NZ 3.49Å; E353-K437 PolarHBondContact OE2-NZ 3.06Å; F384-K437 PolarHBondContact O-NZ 2.87Å; I385-K437 CarbonylContact O-C 3.57Å; I385-K437 WeakPolarHBondContact O-CA 3.25Å; E387-K437 HydrophobicContact CB-CB 3.78Å; E387-K437 HydrophobicContact CG-CB 4.35Å; G435-K437 PolarHBondContact O-N 3.18Å; G435-K437 VanDerWaalsContact O-N 3.16Å
438	K	86.8	Confident	86.2	Confident	64 Å²	64	23.3 Å²	23.3	28%	0.278	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	173.3	-178.4	-155.9	169	-73.2	0	108.9	L381 I385 L386 E387	L381-K438 HydrophobicContact CD1-CD 4.03Å; I385-K438 PolarHBondContact O-N 3.21Å; L386-K438 CarbonylContact C-O 3.54Å; L386-K438 VanDerWaalsContact CA-O 3.25Å; L386-K438 WeakPolarHBondContact CA-O 3.29Å; E387-K438 PolarHBondContact N-O 3.49Å
439	P	91.3	Very high	86.4	Confident	17 Å²	17	23.9 Å²	23.9	11%	0.11	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	162	174.1	28.4	-37.9	0	0	0	112.9	R389 F391 K394	R389-P439 CarbonylContact O-C 3.6Å; R389-P439 VanDerWaalsContact O-CA 3.28Å; R389-P439 WeakPolarHBondContact O-CA 3.36Å; R389-P439 VanDerWaalsContact O-CB 3.27Å; R389-P439 WeakPolarHBondContact O-CB 3.5Å; F391-P439 HydrophobicContact CB-CB 4.43Å; F391-P439 HydrophobicContact CB-CG 4.24Å; F391-P439 HydrophobicContact CD2-CG 3.98Å; K394-P439 HydrophobicContact CB-CB 3.93Å; K394-P439 HydrophobicContact CB-CG 4.02Å; K394-P439 HydrophobicContact CG-CB 4.27Å; K394-P439 HydrophobicContact CG-CG 3.99Å
440	Y	92.6	Very high	86.7	Confident	3 Å²	3	23.3 Å²	23.3	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	149.1	171.4	-51.7	-46.4	0	0	0	111.2	L386 P388 R389 F391 W643 V646 T647 I650	L386-Y440 HydrophobicContact CB-CD1 4.26Å; L386-Y440 HydrophobicContact CB-CE1 4.01Å; L386-Y440 HydrophobicContact CD1-CD1 4.01Å; L386-Y440 HydrophobicContact CD1-CE1 3.99Å; P388-Y440 WeakPolarHBondContact CA-OH 3.42Å; R389-Y440 WeakPolarHBondContact O-CD2 3.49Å; R389-Y440 PolarHBondContact O-N 3.45Å; F391-Y440 PolarHBondContact N-O 2.84Å; Y440-W643 HydrophobicContact CD1-CE3 4.22Å; Y440-W643 HydrophobicContact CD1-CZ3 4.42Å; Y440-W643 HydrophobicContact CD2-CB 3.79Å; Y440-W643 AromaticContact CD2-CD2 3.49Å; Y440-W643 HydrophobicContact CD2-CD2 3.49Å; Y440-W643 VanDerWaalsContact CD2-CD2 3.49Å; Y440-W643 AromaticContact CD2-CE3 3.76Å; Y440-W643 HydrophobicContact CD2-CE3 3.76Å; Y440-W643 AromaticContact CD2-CG 3.49Å; Y440-W643 HydrophobicContact CD2-CG 3.49Å; Y440-W643 VanDerWaalsContact CD2-CG 3.49Å; Y440-W643 HydrophobicContact CE2-CB 3.64Å; Y440-W643 HydrophobicContact CE2-CD2 4.08Å; Y440-W643 HydrophobicContact CE2-CE3 4.13Å; Y440-W643 AromaticContact CE2-CG 3.89Å; Y440-W643 HydrophobicContact CE2-CG 3.89Å; Y440-W643 AromaticContact CG-CD2 3.83Å; Y440-W643 HydrophobicContact CG-CD2 3.83Å; Y440-W643 AromaticContact CG-CE3 3.81Å; Y440-W643 HydrophobicContact CG-CE3 3.81Å; Y440-W643 HydrophobicContact CG-CG 4.31Å; Y440-W643 HydrophobicContact CG-CZ3 4.21Å; Y440-V646 HydrophobicContact CE1-CG1 3.79Å; Y440-T647 WeakPolarHBondContact OH-CA 3.44Å; Y440-T647 PolarHBondContact OH-N 3.44Å; Y440-T647 PolarHBondContact OH-OG1 2.97Å; Y440-I650 HydrophobicContact CE1-CD1 3.95Å
441	N	92.7	Very high	87.4	Confident	58 Å²	58	23 Å²	23	31%	0.31	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-84.5	118.1	171	-173.4	67.4	0	0	0	107.5	W643	N441-W643 WeakPolarHBondContact O-CZ2 3.08Å
442	P	95.9	Very high	88.3	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-65.4	146.7	-171.6	-19.4	31.7	0	0	0	112.1	F391 L392 E446 Q467 H470	F391-P442 HydrophobicContact CB-CG 3.78Å; L392-P442 HydrophobicContact CD1-CB 4.36Å; L392-P442 HydrophobicContact CD2-CG 4.11Å; L392-P442 HydrophobicContact CG-CB 4.12Å; L392-P442 HydrophobicContact CG-CG 3.88Å; P442-E446 WeakPolarHBondContact CA-OE2 3.17Å; P442-E446 HydrophobicContact CB-CB 4.24Å; P442-E446 WeakPolarHBondContact CB-OE2 3.11Å; P442-Q467 HydrophobicContact CB-CB 3.89Å; P442-Q467 HydrophobicContact CB-CG 3.85Å; P442-H470 PolarHBondContact O-ND1 2.87Å
443	I	95.8	Very high	89.5	Confident	13 Å²	13	25.2 Å²	25.2	7%	0.067	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-78.7	157	171.3	71.8	173.5	0	0	0	110	G445 E446 Q467 F637 L642 W643 Q669	I443-G445 PolarHBondContact O-N 3.02Å; I443-E446 HydrophobicContact CG1-CB 3.95Å; I443-E446 PolarHBondContact N-OE2 3.23Å; I443-E446 WeakPolarHBondContact O-CB 3.5Å; I443-E446 PolarHBondContact O-N 3.35Å; I443-Q467 WeakPolarHBondContact O-CB 3.44Å; I443-Q467 WeakPolarHBondContact O-CG 3.35Å; I443-F637 HydrophobicContact CD1-CD1 3.97Å; I443-F637 HydrophobicContact CD1-CE1 3.85Å; I443-F637 HydrophobicContact CG1-CD1 4.47Å; I443-L642 HydrophobicContact CD1-CD1 3.88Å; I443-L642 HydrophobicContact CD1-CD2 3.57Å; I443-L642 HydrophobicContact CD1-CG 4.33Å; I443-L642 HydrophobicContact CG1-CD2 3.68Å; I443-W643 HydrophobicContact CG2-CZ2 4.14Å; I443-Q669 HydrophobicContact CB-CG 4.17Å
444	L	97.3	Very high	91.1	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.079	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.2	175.7	-173.3	63.4	0	0	0	110.7	E446 H470 W681	L444-E446 VanDerWaalsContact C-N 3.26Å; L444-E446 PolarHBondContact O-N 3.03Å; L444-H470 HydrophobicContact CB-CB 4.11Å; L444-H470 HydrophobicContact CD1-CB 4.32Å; L444-W681 HydrophobicContact CD1-CB 4.18Å; L444-W681 HydrophobicContact CD1-CD2 4.27Å; L444-W681 HydrophobicContact CD1-CG 3.79Å; L444-W681 HydrophobicContact CD2-CB 3.92Å; L444-W681 HydrophobicContact CD2-CD2 3.87Å; L444-W681 HydrophobicContact CD2-CE3 3.91Å; L444-W681 HydrophobicContact CD2-CG 3.85Å; L444-W681 HydrophobicContact CG-CB 4.27Å; L444-W681 HydrophobicContact CG-CD2 3.69Å; L444-W681 HydrophobicContact CG-CE3 4.09Å; L444-W681 HydrophobicContact CG-CG 3.72Å
445	G	97.6	Very high	92.5	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	0.6	-176.7	0	0	0	0	0	115.6	I443 Q467 W681	I443-G445 PolarHBondContact O-N 3.02Å; G445-Q467 PolarHBondContact N-O 2.55Å; G445-W681 VanDerWaalsContact CA-CZ2 3.46Å
446	E	98.5	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.			trans	-62	141.7	170.4	-169.4	-178.3	140.1	0	0	110.6	S390 L392 P442 I443 L444 E466 Q467 F637 S639 L642 W643	S390-E446 WeakPolarHBondContact CB-OE1 3.45Å; S390-E446 PolarHBondContact OG-OE1 3.46Å; L392-E446 HydrophobicContact CD1-CB 4.13Å; L392-E446 HydrophobicContact CD1-CG 4.01Å; L392-E446 VanDerWaalsContact CD1-O 3.25Å; L392-E446 WeakPolarHBondContact CD1-O 3.35Å; P442-E446 WeakPolarHBondContact CA-OE2 3.17Å; P442-E446 HydrophobicContact CB-CB 4.24Å; P442-E446 WeakPolarHBondContact CB-OE2 3.11Å; I443-E446 HydrophobicContact CG1-CB 3.95Å; I443-E446 PolarHBondContact N-OE2 3.23Å; I443-E446 WeakPolarHBondContact O-CB 3.5Å; I443-E446 PolarHBondContact O-N 3.35Å; L444-E446 VanDerWaalsContact C-N 3.26Å; L444-E446 PolarHBondContact O-N 3.03Å; E446-E466 CarbonylContact O-C 3.56Å; E446-E466 VanDerWaalsContact O-CA 3.32Å; E446-E466 WeakPolarHBondContact O-CA 3.49Å; E446-Q467 HydrophobicContact CB-CB 4.31Å; E446-Q467 PolarHBondContact O-N 2.95Å; E446-F637 CarbonylContact C-O 3.56Å; E446-F637 WeakPolarHBondContact CA-O 3.26Å; E446-S639 WeakPolarHBondContact OE1-CB 3.43Å; E446-S639 PolarHBondContact OE1-OG 3.09Å; E446-L642 HydrophobicContact CB-CD2 4.3Å; E446-L642 HydrophobicContact CG-CD2 3.7Å; E446-W643 VanDerWaalsContact CD-NE1 3.28Å; E446-W643 PolarHBondContact OE1-NE1 3.43Å; E446-W643 PolarHBondContact OE2-NE1 2.69Å
447	T	98.4	Very high	94.7	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153	178.8	48.9	0	0	0	0	111.8	A465 E466 F637 E638 S639 L685	T447-A465 CarbonylContact C-O 3.53Å; T447-A465 VanDerWaalsContact CA-O 3.25Å; T447-A465 WeakPolarHBondContact CA-O 3.32Å; T447-E466 HydrophobicContact CG2-CB 4.03Å; T447-E466 HydrophobicContact CG2-CG 3.81Å; T447-F637 PolarHBondContact N-O 3.03Å; T447-F637 PolarHBondContact OG1-O 3.22Å; T447-E638 CarbonylContact O-C 3.54Å; T447-E638 VanDerWaalsContact O-CA 3.29Å; T447-E638 WeakPolarHBondContact O-CA 3.32Å; T447-S639 PolarHBondContact O-N 3.25Å; T447-S639 PolarHBondContact O-OG 2.91Å; T447-L685 HydrophobicContact CG2-CD1 4.25Å
448	F	98.3	Very high	95.4	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.8	167.8	-176.5	-105.7	0	0	0	110.1	L392 D393 C450 Y463 A465 V628 E640	L392-F448 HydrophobicContact CB-CB 3.63Å; D393-F448 HydrophobicContact CB-CD1 4.26Å; D393-F448 HydrophobicContact CB-CD2 4.05Å; D393-F448 HydrophobicContact CB-CE1 4.15Å; D393-F448 HydrophobicContact CB-CE2 3.92Å; D393-F448 HydrophobicContact CB-CG 4.21Å; D393-F448 HydrophobicContact CB-CZ 3.97Å; F448-C450 HydrophobicContact CE1-CB 3.84Å; F448-C450 HydrophobicContact CZ-CB 4.03Å; F448-Y463 HydrophobicContact CD1-CD1 4.12Å; F448-Y463 AromaticContact CD1-CE1 3.82Å; F448-Y463 HydrophobicContact CD1-CE1 3.82Å; F448-A465 PolarHBondContact N-O 3.24Å; F448-A465 PolarHBondContact O-N 2.86Å; F448-V628 HydrophobicContact CZ-CG1 4.21Å; F448-E640 HydrophobicContact CE2-CG 4.2Å
449	R	97.2	Very high	95.8	Very high	20 Å²	20	34.1 Å²	34.1	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.8	177.2	48.9	172.5	174.7	157	2.9	111.4	T333 Y463 I464 V629 E638 E715	T333-R449 PolarHBondContact OG1-NH1 2.8Å; R449-Y463 VanDerWaalsContact CA-O 3.27Å; R449-Y463 WeakPolarHBondContact CA-O 3.37Å; R449-I464 HydrophobicContact CB-CD1 3.82Å; R449-V629 HydrophobicContact CG-CG2 3.97Å; R449-E638 VanDerWaalsContact CG-OE2 3.27Å; R449-E638 WeakPolarHBondContact CG-OE2 3.37Å; R449-E638 IonicContact CZ-OE1 2.86Å; R449-E638 IonicContact CZ-OE2 3.23Å; R449-E638 IonicContact NE-OE1 3.83Å; R449-E638 PolarHBondContact NE-OE1 3.43Å; R449-E638 IonicContact NE-OE2 2.74Å; R449-E638 PolarHBondContact NE-OE2 3.18Å; R449-E638 IonicContact NH2-OE1 3.59Å; R449-E638 PolarHBondContact NH2-OE1 3.36Å; R449-E638 IonicContact NH2-OE2 2.72Å; R449-E715 WeakPolarHBondContact CD-OE1 3.48Å; R449-E715 IonicContact CZ-OE1 3.01Å; R449-E715 IonicContact NE-OE1 2.77Å; R449-E715 IonicContact NH1-OE1 2.78Å; R449-E715 PolarHBondContact NH1-OE1 3.47Å; R449-E715 IonicContact NH1-OE2 2.71Å; R449-E715 PolarHBondContact NH1-OE2 3.44Å
450	C	97.9	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	169.2	178.4	65.9	0	0	0	0	109.6	F448 W452 Y463 R626 Q627 V628	F448-C450 HydrophobicContact CE1-CB 3.84Å; F448-C450 HydrophobicContact CZ-CB 4.03Å; C450-W452 WeakPolarHBondContact SG-CH2 3.23Å; C450-Y463 PolarHBondContact N-O 2.86Å; C450-Y463 VanDerWaalsContact N-O 3.12Å; C450-Y463 PolarHBondContact O-N 3.05Å; C450-R626 HydrophobicContact CB-CG 4.07Å; C450-Q627 CarbonylContact C-O 3.48Å; C450-Q627 VanDerWaalsContact CA-O 3.25Å; C450-Q627 WeakPolarHBondContact CA-O 3.33Å; C450-Q627 VanDerWaalsContact CB-O 3.24Å; C450-Q627 WeakPolarHBondContact CB-O 3.17Å; C450-V628 HydrophobicContact CB-CG1 4.08Å
451	C	98	Very high	96.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	170	173.9	72.4	0	0	0	0	112.6	Y335 C460 T461 F462 Q627	Y335-C451 HydrophobicContact CE1-CB 4.5Å; C451-C460 VanDerWaalsContact CB-SG 3.58Å; C451-T461 CarbonylContact C-O 3.59Å; C451-T461 WeakPolarHBondContact CA-O 3.19Å; C451-T461 WeakPolarHBondContact CB-O 3.47Å; C451-F462 HydrophobicContact CB-CD1 3.82Å; C451-F462 HydrophobicContact CB-CE1 4.21Å; C451-F462 HydrophobicContact CB-CG 4.48Å; C451-Q627 PolarHBondContact N-O 3.33Å; C451-Q627 PolarHBondContact O-N 2.91Å
452	W	97.8	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.2	171.3	-61.9	-101.8	0	0	0	108.9	S396 Y399 Y400 C450 C460 T461 L624 K625 R626	S396-W452 WeakPolarHBondContact O-CH2 3.06Å; S396-W452 WeakPolarHBondContact O-CZ2 3.49Å; Y399-W452 HydrophobicContact CD2-CH2 4.39Å; Y399-W452 HydrophobicContact CG-CH2 4.38Å; Y400-W452 AromaticContact CD1-NE1 3.54Å; Y400-W452 AromaticContact CE1-NE1 3.81Å; C450-W452 WeakPolarHBondContact SG-CH2 3.23Å; W452-C460 WeakPolarHBondContact O-CA 3.39Å; W452-C460 PolarHBondContact O-SG 2.82Å; W452-C460 VanDerWaalsContact O-SG 3.37Å; W452-T461 HydrophobicContact CE3-CG2 4.28Å; W452-T461 PolarHBondContact N-O 2.86Å; W452-T461 PolarHBondContact O-N 3.12Å; W452-L624 HydrophobicContact CB-CB 4Å; W452-L624 HydrophobicContact CB-CD1 4.08Å; W452-L624 HydrophobicContact CG-CB 4.09Å; W452-K625 VanDerWaalsContact CD1-C 3.46Å; W452-R626 HydrophobicContact CZ2-CB 4.36Å; W452-R626 HydrophobicContact CZ2-CG 3.97Å
453	L	96.6	Very high	96.8	Very high	87 Å²	87	31.6 Å²	31.6	46%	0.455	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142	169.5	-59.2	176.1	0	0	0	109.7	P455 C460	L453-P455 WeakPolarHBondContact O-CD 3.2Å; L453-C460 HydrophobicContact CD2-CB 4.13Å
454	H	96.7	Very high	96.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	93.5	176.2	-69.8	-161.3	0	0	0	109.2	S406 Q456 T457 D458 S459 T461 N481 D484 L624	S406-H454 PolarHBondContact OG-CE1 2.92Å; S406-H454 PolarHBondContact OG-ND1 2.72Å; H454-Q456 PolarHBondContact O-N 3.24Å; H454-Q456 VanDerWaalsContact O-N 3.11Å; H454-T457 VanDerWaalsContact CB-OG1 3.27Å; H454-T457 WeakPolarHBondContact CB-OG1 3.45Å; H454-T457 PolarHBondContact O-N 3.34Å; H454-D458 PolarHBondContact O-N 3.41Å; H454-S459 WeakPolarHBondContact CB-OG 3.38Å; H454-S459 PolarHBondContact N-O 3.47Å; H454-S459 PolarHBondContact O-N 2.9Å; H454-T461 PolarHBondContact CE1-OG1 3.36Å; H454-T461 PolarHBondContact NE2-OG1 2.93Å; H454-N481 PolarHBondContact CE1-ND2 3.5Å; H454-N481 PolarHBondContact ND1-ND2 3.36Å; H454-D484 IonicContact CE1-OD2 2.74Å; H454-D484 IonicContact CG-OD2 3.64Å; H454-D484 IonicContact ND1-OD2 3.48Å; H454-D484 PolarHBondContact ND1-OD2 3.38Å; H454-L624 WeakPolarHBondContact NE2-CD1 3.4Å
455	P	93.1	Very high	97	Very high	107 Å²	107	30.3 Å²	30.3	70%	0.695	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	-173.3	-24.5	35.4	0	0	0	115.2	L453	L453-P455 WeakPolarHBondContact O-CD 3.2Å
456	Q	91.9	Very high	97	Very high	153 Å²	153	30 Å²	30	72%	0.715	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-26.5	-178.5	-62.2	78.8	7.9	0	0	113.2	H454	H454-Q456 PolarHBondContact O-N 3.24Å; H454-Q456 VanDerWaalsContact O-N 3.11Å
457	T	93.9	Very high	97	Very high	61 Å²	61	30.1 Å²	30.1	37%	0.374	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-2.4	-177.5	44.1	0	0	0	0	112.9	H454 S459 K483 D484	H454-T457 VanDerWaalsContact CB-OG1 3.27Å; H454-T457 WeakPolarHBondContact CB-OG1 3.45Å; H454-T457 PolarHBondContact O-N 3.34Å; T457-S459 PolarHBondContact O-N 3.11Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; T457-S459 VanDerWaalsContact OG1-OG 3.05Å; T457-K483 WeakPolarHBondContact O-CE 3.48Å; T457-K483 PolarHBondContact O-NZ 3.01Å; T457-D484 VanDerWaalsContact CB-OD1 3.25Å; T457-D484 WeakPolarHBondContact CB-OD1 3.48Å; T457-D484 PolarHBondContact OG1-OD1 2.78Å; T457-D484 PolarHBondContact OG1-OD2 3.25Å
458	D	94.3	Very high	97	Very high	133 Å²	133	29.4 Å²	29.4	71%	0.711	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	42.4	-176.2	176.3	61.1	0	0	0	111.3	H454 K483	H454-D458 PolarHBondContact O-N 3.41Å; D458-K483 WeakPolarHBondContact O-CE 3.14Å; D458-K483 PolarHBondContact O-NZ 2.78Å; D458-K483 IonicContact OD2-NZ 2.92Å; D458-K483 PolarHBondContact OD2-NZ 2.77Å
459	S	96	Very high	96.8	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	178.7	-176.1	73.3	0	0	0	0	111.9	H454 T457 N481 D484	H454-S459 WeakPolarHBondContact CB-OG 3.38Å; H454-S459 PolarHBondContact N-O 3.47Å; H454-S459 PolarHBondContact O-N 2.9Å; T457-S459 PolarHBondContact O-N 3.11Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; T457-S459 VanDerWaalsContact OG1-OG 3.05Å; S459-N481 WeakPolarHBondContact CB-OD1 3.43Å; S459-N481 PolarHBondContact OG-ND2 3.44Å; S459-N481 PolarHBondContact OG-OD1 3.32Å; S459-D484 WeakPolarHBondContact CB-OD1 3.43Å; S459-D484 PolarHBondContact OG-OD1 2.95Å; S459-D484 PolarHBondContact OG-OD2 3.31Å
460	C	97.1	Very high	96.5	Very high	14 Å²	14	31.5 Å²	31.5	10%	0.095	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.1	-178.6	-169.5	0	0	0	0	110.8	C451 W452 L453 F462 N481	C451-C460 VanDerWaalsContact CB-SG 3.58Å; W452-C460 WeakPolarHBondContact O-CA 3.39Å; W452-C460 PolarHBondContact O-SG 2.82Å; W452-C460 VanDerWaalsContact O-SG 3.37Å; L453-C460 HydrophobicContact CD2-CB 4.13Å; C460-F462 HydrophobicContact CB-CD2 4.37Å; C460-F462 HydrophobicContact CB-CE2 3.68Å; C460-F462 HydrophobicContact CB-CZ 3.75Å; C460-N481 VanDerWaalsContact O-CG 3.31Å; C460-N481 PolarHBondContact O-ND2 3.29Å
461	T	98.4	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.8	168.4	-62.5	0	0	0	0	108.5	A402 C451 W452 H454 V479 C480 N481 F486	A402-T461 HydrophobicContact CB-CG2 3.98Å; C451-T461 CarbonylContact C-O 3.59Å; C451-T461 WeakPolarHBondContact CA-O 3.19Å; C451-T461 WeakPolarHBondContact CB-O 3.47Å; W452-T461 HydrophobicContact CE3-CG2 4.28Å; W452-T461 PolarHBondContact N-O 2.86Å; W452-T461 PolarHBondContact O-N 3.12Å; H454-T461 PolarHBondContact CE1-OG1 3.36Å; H454-T461 PolarHBondContact NE2-OG1 2.93Å; T461-V479 HydrophobicContact CG2-CG1 3.45Å; T461-V479 VanDerWaalsContact CG2-CG1 3.45Å; T461-C480 WeakPolarHBondContact CA-O 2.9Å; T461-N481 PolarHBondContact OG1-ND2 3.33Å; T461-F486 HydrophobicContact CG2-CE2 4.33Å; T461-F486 HydrophobicContact CG2-CZ 4.27Å
462	F	98.5	Very high	95.7	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.1	173.6	-61.5	-84.1	0	0	0	110.4	Y335 C451 C460 V479 C480 Q713 E715 I720	Y335-F462 HydrophobicContact CE2-CE1 4.4Å; C451-F462 HydrophobicContact CB-CD1 3.82Å; C451-F462 HydrophobicContact CB-CE1 4.21Å; C451-F462 HydrophobicContact CB-CG 4.48Å; C460-F462 HydrophobicContact CB-CD2 4.37Å; C460-F462 HydrophobicContact CB-CE2 3.68Å; C460-F462 HydrophobicContact CB-CZ 3.75Å; F462-V479 CarbonylContact O-C 3.52Å; F462-V479 VanDerWaalsContact O-CA 3.22Å; F462-V479 WeakPolarHBondContact O-CA 3.27Å; F462-V479 WeakPolarHBondContact O-CG1 3.45Å; F462-C480 PolarHBondContact N-O 3.2Å; F462-C480 PolarHBondContact O-N 3.04Å; F462-Q713 HydrophobicContact CD2-CG 4.35Å; F462-Q713 HydrophobicContact CE2-CB 4.33Å; F462-Q713 HydrophobicContact CE2-CG 4.02Å; F462-E715 HydrophobicContact CD1-CB 3.64Å; F462-E715 HydrophobicContact CE1-CB 3.8Å; F462-E715 HydrophobicContact CG-CB 4.44Å; F462-I720 HydrophobicContact CB-CD1 3.63Å; F462-I720 HydrophobicContact CB-CG1 3.97Å; F462-I720 HydrophobicContact CD2-CG2 4.47Å; F462-I720 HydrophobicContact CG-CD1 4.5Å; F462-I720 HydrophobicContact CG-CG1 4.38Å
463	Y	98.7	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.5	173.8	171.6	-73	0	0	0	109.5	L392 L395 Y399 F448 R449 C450 A465 F477 V479	L392-Y463 PolarHBondContact O-OH 3.06Å; L395-Y463 WeakPolarHBondContact CB-OH 3.38Å; Y399-Y463 AromaticContact CD2-CD2 3.79Å; Y399-Y463 HydrophobicContact CD2-CD2 3.79Å; Y399-Y463 HydrophobicContact CD2-CE2 4.07Å; Y399-Y463 AromaticContact CE2-CD2 3.78Å; Y399-Y463 HydrophobicContact CE2-CD2 3.78Å; Y399-Y463 AromaticContact CE2-CE2 3.71Å; Y399-Y463 HydrophobicContact CE2-CE2 3.71Å; F448-Y463 HydrophobicContact CD1-CD1 4.12Å; F448-Y463 AromaticContact CD1-CE1 3.82Å; F448-Y463 HydrophobicContact CD1-CE1 3.82Å; R449-Y463 VanDerWaalsContact CA-O 3.27Å; R449-Y463 WeakPolarHBondContact CA-O 3.37Å; C450-Y463 PolarHBondContact N-O 2.86Å; C450-Y463 VanDerWaalsContact N-O 3.12Å; C450-Y463 PolarHBondContact O-N 3.05Å; Y463-A465 HydrophobicContact CE1-CB 3.57Å; Y463-F477 HydrophobicContact CE2-CB 4.39Å; Y463-F477 HydrophobicContact CE2-CD2 4.5Å; Y463-V479 HydrophobicContact CD2-CG2 3.49Å; Y463-V479 VanDerWaalsContact CD2-CG2 3.49Å; Y463-V479 HydrophobicContact CE2-CG2 4.18Å; Y463-V479 HydrophobicContact CG-CG2 4.26Å
464	I	98.6	Very high	95.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.9	178.2	-54.3	-64.3	0	0	0	108.1	R449 F477 Y478 L685 F686 Y697 E715 I720	R449-I464 HydrophobicContact CB-CD1 3.82Å; I464-F477 CarbonylContact O-C 3.49Å; I464-F477 VanDerWaalsContact O-CA 3.26Å; I464-F477 WeakPolarHBondContact O-CA 3.4Å; I464-Y478 PolarHBondContact N-O 2.81Å; I464-Y478 PolarHBondContact O-N 3.23Å; I464-L685 HydrophobicContact CG2-CD1 3.57Å; I464-F686 HydrophobicContact CG2-CE2 4.18Å; I464-F686 HydrophobicContact CG2-CZ 4.37Å; I464-Y697 HydrophobicContact CB-CE2 4.43Å; I464-Y697 HydrophobicContact CG1-CE2 4.47Å; I464-Y697 HydrophobicContact CG2-CE2 3.99Å; I464-E715 HydrophobicContact CD1-CG 4.01Å; I464-I720 HydrophobicContact CG1-CD1 3.86Å; I464-I720 HydrophobicContact CG1-CG1 4.19Å
465	A	98.6	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.3	173.4	0	0	0	0	0	112.7	L392 T447 F448 Y463 A476 F477	L392-A465 HydrophobicContact CB-CB 4.25Å; L392-A465 HydrophobicContact CD2-CB 4.3Å; T447-A465 CarbonylContact C-O 3.53Å; T447-A465 VanDerWaalsContact CA-O 3.25Å; T447-A465 WeakPolarHBondContact CA-O 3.32Å; F448-A465 PolarHBondContact N-O 3.24Å; F448-A465 PolarHBondContact O-N 2.86Å; Y463-A465 HydrophobicContact CE1-CB 3.57Å; A465-A476 CarbonylContact C-O 3.49Å; A465-A476 VanDerWaalsContact CA-O 3.23Å; A465-A476 WeakPolarHBondContact CA-O 3.4Å; A465-A476 WeakPolarHBondContact CB-O 3.37Å; A465-F477 HydrophobicContact CB-CB 3.88Å
466	E	98.7	Very high	95.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142	178.1	-172.4	171.6	-176.9	0	0	111.5	E446 T447 V468 A476 P683 K684 L685 F686	E446-E466 CarbonylContact O-C 3.56Å; E446-E466 VanDerWaalsContact O-CA 3.32Å; E446-E466 WeakPolarHBondContact O-CA 3.49Å; T447-E466 HydrophobicContact CG2-CB 4.03Å; T447-E466 HydrophobicContact CG2-CG 3.81Å; E466-V468 HydrophobicContact CB-CG1 4.36Å; E466-V468 HydrophobicContact CG-CG1 4.44Å; E466-V468 PolarHBondContact O-N 2.7Å; E466-V468 VanDerWaalsContact O-N 3.11Å; E466-A476 PolarHBondContact N-O 2.94Å; E466-A476 PolarHBondContact O-N 3.05Å; E466-P683 VanDerWaalsContact CD-CB 3.49Å; E466-P683 HydrophobicContact CG-CB 4.46Å; E466-P683 WeakPolarHBondContact OE1-CA 3.45Å; E466-P683 VanDerWaalsContact OE1-CB 3.31Å; E466-P683 WeakPolarHBondContact OE1-CB 3.46Å; E466-P683 WeakPolarHBondContact OE2-CB 3.33Å; E466-K684 VanDerWaalsContact CD-N 3.35Å; E466-K684 PolarHBondContact OE1-N 3.06Å; E466-K684 PolarHBondContact OE2-N 2.97Å; E466-K684 VanDerWaalsContact OE2-N 3.15Å; E466-L685 PolarHBondContact OE2-N 2.83Å; E466-F686 HydrophobicContact CB-CD2 3.59Å; E466-F686 HydrophobicContact CB-CE2 3.8Å
467	Q	98.4	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	85.1	170.2	-168.3	68.1	24.1	0	0	110.5	P442 I443 G445 E446 S469 I474 S475	P442-Q467 HydrophobicContact CB-CB 3.89Å; P442-Q467 HydrophobicContact CB-CG 3.85Å; I443-Q467 WeakPolarHBondContact O-CB 3.44Å; I443-Q467 WeakPolarHBondContact O-CG 3.35Å; G445-Q467 PolarHBondContact N-O 2.55Å; E446-Q467 HydrophobicContact CB-CB 4.31Å; E446-Q467 PolarHBondContact O-N 2.95Å; Q467-S469 PolarHBondContact NE2-O 2.8Å; Q467-S469 PolarHBondContact O-N 2.93Å; Q467-I474 PolarHBondContact NE2-O 3.38Å; Q467-I474 VanDerWaalsContact NE2-O 3.1Å; Q467-S475 PolarHBondContact OE1-OG 2.89Å
468	V	97.6	Very high	96.3	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-28.9	-174.5	-62.9	0	0	0	0	114	E466 I474 A476 P683 F686 W695	E466-V468 HydrophobicContact CB-CG1 4.36Å; E466-V468 HydrophobicContact CG-CG1 4.44Å; E466-V468 PolarHBondContact O-N 2.7Å; E466-V468 VanDerWaalsContact O-N 3.11Å; V468-I474 HydrophobicContact CG2-CB 3.94Å; V468-I474 HydrophobicContact CG2-CG2 3.66Å; V468-I474 WeakPolarHBondContact CG2-O 3.28Å; V468-I474 PolarHBondContact N-O 3.05Å; V468-I474 VanDerWaalsContact N-O 3.16Å; V468-A476 HydrophobicContact CG1-CB 3.58Å; V468-A476 HydrophobicContact CG2-CB 4.07Å; V468-P683 HydrophobicContact CB-CB 4.42Å; V468-P683 HydrophobicContact CB-CG 3.79Å; V468-P683 HydrophobicContact CG1-CB 3.94Å; V468-P683 HydrophobicContact CG1-CG 3.84Å; V468-F686 HydrophobicContact CG1-CB 3.83Å; V468-F686 HydrophobicContact CG1-CD2 4.5Å; V468-F686 HydrophobicContact CG1-CG 4.33Å; V468-W695 HydrophobicContact CB-CD2 3.86Å; V468-W695 HydrophobicContact CB-CE3 3.78Å; V468-W695 HydrophobicContact CB-CH2 4.01Å; V468-W695 HydrophobicContact CB-CZ2 4.1Å; V468-W695 HydrophobicContact CB-CZ3 3.88Å; V468-W695 HydrophobicContact CG1-CD2 4.06Å; V468-W695 HydrophobicContact CG1-CE3 3.67Å; V468-W695 HydrophobicContact CG1-CZ3 4.03Å; V468-W695 HydrophobicContact CG2-CD2 3.65Å; V468-W695 HydrophobicContact CG2-CE3 4.1Å; V468-W695 HydrophobicContact CG2-CG 3.96Å; V468-W695 HydrophobicContact CG2-CZ2 4.14Å
469	S	95.1	Very high	96.5	Very high	32 Å²	32	17.1 Å²	17.1	22%	0.224	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.3	172.7	-169.7	0	0	0	0	111.8	Q467 P472 P473 I474	Q467-S469 PolarHBondContact NE2-O 2.8Å; Q467-S469 PolarHBondContact O-N 2.93Å; S469-P472 CarbonylContact C-O 3.57Å; S469-P472 WeakPolarHBondContact CB-O 3.33Å; S469-P472 PolarHBondContact OG-O 2.81Å; S469-P473 WeakPolarHBondContact O-CA 3.48Å; S469-I474 PolarHBondContact N-O 3.02Å; S469-I474 PolarHBondContact O-N 2.85Å
470	H	91.3	Very high	96.6	Very high	38 Å²	38	16.6 Å²	16.6	18%	0.176	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-26.8	-179.3	-176.2	86.9	0	0	0	113.3	P442 L444 P472 P473 Q669	P442-H470 PolarHBondContact O-ND1 2.87Å; L444-H470 HydrophobicContact CB-CB 4.11Å; L444-H470 HydrophobicContact CD1-CB 4.32Å; H470-P472 CarbonylContact C-O 3.56Å; H470-P472 VanDerWaalsContact C-O 3.29Å; H470-P472 PolarHBondContact N-O 2.78Å; H470-P472 CarbonylContact O-C 3.59Å; H470-P473 WeakPolarHBondContact O-CA 3.49Å; H470-Q669 PolarHBondContact CD2-NE2 2.82Å; H470-Q669 PolarHBondContact CE1-NE2 3.28Å; H470-Q669 PolarHBondContact CE1-OE1 2.7Å; H470-Q669 VanDerWaalsContact CE1-OE1 3.25Å; H470-Q669 PolarHBondContact ND1-NE2 3.49Å; H470-Q669 VanDerWaalsContact ND1-NE2 3.11Å
471	H	88.2	Confident	96.6	Very high	121 Å²	121	16 Å²	16	56%	0.56	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.5	88.8	178.9	-78.6	0.7	0	0	0	110
472	P	90.4	Very high	96.5	Very high	73 Å²	73	16.2 Å²	16.2	47%	0.474	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	cis	-74.6	158.1	2.5	34.3	-37.7	0	0	0	113.1	S469 H470 I474 L493	S469-P472 CarbonylContact C-O 3.57Å; S469-P472 WeakPolarHBondContact CB-O 3.33Å; S469-P472 PolarHBondContact OG-O 2.81Å; H470-P472 CarbonylContact C-O 3.56Å; H470-P472 VanDerWaalsContact C-O 3.29Å; H470-P472 PolarHBondContact N-O 2.78Å; H470-P472 CarbonylContact O-C 3.59Å; P472-I474 HydrophobicContact CG-CD1 4.3Å; P472-I474 HydrophobicContact CG-CG1 4.4Å; P472-I474 PolarHBondContact O-N 3.14Å; P472-L493 HydrophobicContact CB-CD1 3.66Å; P472-L493 HydrophobicContact CG-CD1 4.27Å
473	P	93.1	Very high	96.4	Very high	12 Å²	12	19 Å²	19	8%	0.078	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108.5	-177.8	31	-34.2	0	0	0	110.9	S469 H470 L493 A494	S469-P473 WeakPolarHBondContact O-CA 3.48Å; H470-P473 WeakPolarHBondContact O-CA 3.49Å; P473-L493 WeakPolarHBondContact O-CA 3.44Å; P473-A494 HydrophobicContact CG-CB 4.45Å; P473-A494 VanDerWaalsContact CG-O 3.27Å; P473-A494 WeakPolarHBondContact CG-O 3.49Å; P473-A494 PolarHBondContact O-N 3.24Å; P473-A494 VanDerWaalsContact O-N 3.09Å
474	I	96.1	Very high	96.3	Very high	28 Å²	28	19.6 Å²	19.6	14%	0.144	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.3	178.1	-54.9	175	0	0	0	108.8	Q467 V468 S469 P472 I492 L493	Q467-I474 PolarHBondContact NE2-O 3.38Å; Q467-I474 VanDerWaalsContact NE2-O 3.1Å; V468-I474 HydrophobicContact CG2-CB 3.94Å; V468-I474 HydrophobicContact CG2-CG2 3.66Å; V468-I474 WeakPolarHBondContact CG2-O 3.28Å; V468-I474 PolarHBondContact N-O 3.05Å; V468-I474 VanDerWaalsContact N-O 3.16Å; S469-I474 PolarHBondContact N-O 3.02Å; S469-I474 PolarHBondContact O-N 2.85Å; P472-I474 HydrophobicContact CG-CD1 4.3Å; P472-I474 HydrophobicContact CG-CG1 4.4Å; P472-I474 PolarHBondContact O-N 3.14Å; I474-I492 WeakPolarHBondContact CA-O 3.3Å; I474-L493 HydrophobicContact CG1-CB 4.41Å; I474-L493 HydrophobicContact CG1-CD1 4.35Å
475	S	97.7	Very high	96.2	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.6	171.6	-48.7	0	0	0	0	108.9	F391 Q467 S491 I492	F391-S475 WeakPolarHBondContact CD1-OG 3.42Å; Q467-S475 PolarHBondContact OE1-OG 2.89Å; S475-S491 CarbonylContact O-C 3.51Å; S475-S491 VanDerWaalsContact O-CA 3.31Å; S475-S491 WeakPolarHBondContact O-CA 3.2Å; S475-I492 PolarHBondContact N-O 3.48Å; S475-I492 PolarHBondContact O-N 3.45Å
476	A	98.2	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147.1	172.4	0	0	0	0	0	110.2	A465 E466 V468 G490 F686 W695	A465-A476 CarbonylContact C-O 3.49Å; A465-A476 VanDerWaalsContact CA-O 3.23Å; A465-A476 WeakPolarHBondContact CA-O 3.4Å; A465-A476 WeakPolarHBondContact CB-O 3.37Å; E466-A476 PolarHBondContact N-O 2.94Å; E466-A476 PolarHBondContact O-N 3.05Å; V468-A476 HydrophobicContact CG1-CB 3.58Å; V468-A476 HydrophobicContact CG2-CB 4.07Å; A476-G490 WeakPolarHBondContact CA-O 3.49Å; A476-F686 HydrophobicContact CB-CB 4.24Å; A476-F686 HydrophobicContact CB-CD1 3.6Å; A476-F686 HydrophobicContact CB-CD2 4.16Å; A476-F686 HydrophobicContact CB-CE1 3.93Å; A476-F686 HydrophobicContact CB-CE2 4.46Å; A476-F686 HydrophobicContact CB-CG 3.73Å; A476-F686 HydrophobicContact CB-CZ 4.36Å; A476-W695 HydrophobicContact CB-CB 3.79Å; A476-W695 HydrophobicContact CB-CG 4.41Å
477	F	98.3	Very high	96.1	Very high	5 Å²	5	20 Å²	20	2%	0.022	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154	177.4	69.6	-85.9	0	0	0	112.5	Y399 Y463 I464 A465 V479 I488 G490 I492 A511	Y399-F477 VanDerWaalsContact OH-CE2 3.27Å; Y399-F477 WeakPolarHBondContact OH-CE2 3.45Å; Y463-F477 HydrophobicContact CE2-CB 4.39Å; Y463-F477 HydrophobicContact CE2-CD2 4.5Å; I464-F477 CarbonylContact O-C 3.49Å; I464-F477 VanDerWaalsContact O-CA 3.26Å; I464-F477 WeakPolarHBondContact O-CA 3.4Å; A465-F477 HydrophobicContact CB-CB 3.88Å; F477-V479 HydrophobicContact CD2-CG2 4.21Å; F477-I488 HydrophobicContact CE2-CG2 3.98Å; F477-G490 WeakPolarHBondContact CD1-O 3.25Å; F477-G490 PolarHBondContact N-O 2.86Å; F477-G490 PolarHBondContact O-N 3.42Å; F477-I492 HydrophobicContact CE1-CD1 3.83Å; F477-I492 HydrophobicContact CE1-CG1 4.11Å; F477-A511 HydrophobicContact CZ-CB 3.91Å
478	Y	98.5	Very high	96	Very high	2 Å²	2	20 Å²	20	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.7	174.6	179.9	-116.7	0	0	0	110	I464 C480 C487 I488 Y697 L700 I720	I464-Y478 PolarHBondContact N-O 2.81Å; I464-Y478 PolarHBondContact O-N 3.23Å; Y478-C480 HydrophobicContact CE1-CB 3.67Å; Y478-C480 PolarHBondContact OH-SG 3.02Å; Y478-C487 HydrophobicContact CE2-CB 3.79Å; Y478-I488 CarbonylContact C-O 3.59Å; Y478-I488 WeakPolarHBondContact CA-O 3.35Å; Y478-I488 WeakPolarHBondContact CD2-O 3.47Å; Y478-Y697 AromaticContact CD1-CD1 3.21Å; Y478-Y697 HydrophobicContact CD1-CD1 3.21Å; Y478-Y697 HydrophobicContact CD1-CD2 4.42Å; Y478-Y697 AromaticContact CD1-CE1 3.52Å; Y478-Y697 HydrophobicContact CD1-CE1 3.52Å; Y478-Y697 AromaticContact CD1-CG 3.71Å; Y478-Y697 HydrophobicContact CD1-CG 3.71Å; Y478-Y697 AromaticContact CE1-CD1 3.53Å; Y478-Y697 HydrophobicContact CE1-CD1 3.53Å; Y478-Y697 AromaticContact CE1-CE1 3.72Å; Y478-Y697 HydrophobicContact CE1-CE1 3.72Å; Y478-Y697 HydrophobicContact CE1-CG 4.42Å; Y478-Y697 AromaticContact CG-CD1 3.81Å; Y478-Y697 HydrophobicContact CG-CD1 3.81Å; Y478-Y697 HydrophobicContact CG-CE1 4.5Å; Y478-Y697 AromaticContact CG-CG 3.89Å; Y478-Y697 HydrophobicContact CG-CG 3.89Å; Y478-L700 HydrophobicContact CD2-CD1 4.39Å; Y478-L700 HydrophobicContact CE2-CD1 3.49Å; Y478-L700 VanDerWaalsContact CE2-CD1 3.49Å; Y478-I720 HydrophobicContact CD1-CD1 3.95Å; Y478-I720 HydrophobicContact CE1-CD1 3.94Å
479	V	98.4	Very high	96	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.4	178.7	-170.9	0	0	0	0	108.4	Y399 T461 F462 Y463 F477 C487 I488	Y399-V479 HydrophobicContact CD1-CG1 3.95Å; Y399-V479 HydrophobicContact CD1-CG2 4.25Å; Y399-V479 HydrophobicContact CD2-CG2 4.43Å; Y399-V479 HydrophobicContact CE1-CB 4.25Å; Y399-V479 HydrophobicContact CE1-CG1 4.14Å; Y399-V479 HydrophobicContact CE1-CG2 3.79Å; Y399-V479 HydrophobicContact CE2-CG2 4Å; Y399-V479 HydrophobicContact CG-CG1 4.42Å; T461-V479 HydrophobicContact CG2-CG1 3.45Å; T461-V479 VanDerWaalsContact CG2-CG1 3.45Å; F462-V479 CarbonylContact O-C 3.52Å; F462-V479 VanDerWaalsContact O-CA 3.22Å; F462-V479 WeakPolarHBondContact O-CA 3.27Å; F462-V479 WeakPolarHBondContact O-CG1 3.45Å; Y463-V479 HydrophobicContact CD2-CG2 3.49Å; Y463-V479 VanDerWaalsContact CD2-CG2 3.49Å; Y463-V479 HydrophobicContact CE2-CG2 4.18Å; Y463-V479 HydrophobicContact CG-CG2 4.26Å; F477-V479 HydrophobicContact CD2-CG2 4.21Å; V479-C487 CarbonylContact O-C 3.21Å; V479-C487 WeakPolarHBondContact O-CA 3.47Å; V479-C487 WeakPolarHBondContact O-CB 3.38Å; V479-I488 HydrophobicContact CB-CB 4.26Å; V479-I488 PolarHBondContact N-O 3.4Å; V479-I488 PolarHBondContact O-N 2.94Å
480	C	97.9	Very high	96	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.2	-178.2	-170	0	0	0	0	111.9	T461 F462 Y478 C487 Q713 I720	T461-C480 WeakPolarHBondContact CA-O 2.9Å; F462-C480 PolarHBondContact N-O 3.2Å; F462-C480 PolarHBondContact O-N 3.04Å; Y478-C480 HydrophobicContact CE1-CB 3.67Å; Y478-C480 PolarHBondContact OH-SG 3.02Å; C480-C487 HydrophobicContact CB-CB 4.36Å; C480-Q713 PolarHBondContact SG-NE2 3.22Å; C480-I720 HydrophobicContact CB-CD1 4.2Å
481	N	97.9	Very high	96.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	93.4	156.4	-172	-26.5	0	0	0	106.6	H454 S459 C460 T461 K483 D484 G485 F486	H454-N481 PolarHBondContact CE1-ND2 3.5Å; H454-N481 PolarHBondContact ND1-ND2 3.36Å; S459-N481 WeakPolarHBondContact CB-OD1 3.43Å; S459-N481 PolarHBondContact OG-ND2 3.44Å; S459-N481 PolarHBondContact OG-OD1 3.32Å; C460-N481 VanDerWaalsContact O-CG 3.31Å; C460-N481 PolarHBondContact O-ND2 3.29Å; T461-N481 PolarHBondContact OG1-ND2 3.33Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 3.32Å; N481-K483 PolarHBondContact OD1-N 2.81Å; N481-D484 HydrophobicContact CB-CB 4.31Å; N481-D484 PolarHBondContact O-N 3.38Å; N481-D484 PolarHBondContact OD1-N 2.75Å; N481-G485 PolarHBondContact O-N 3.39Å; N481-G485 VanDerWaalsContact O-N 3.11Å; N481-F486 CarbonylContact C-O 3.55Å; N481-F486 HydrophobicContact CB-CD1 4.3Å; N481-F486 HydrophobicContact CB-CE1 3.67Å; N481-F486 HydrophobicContact CB-CE2 4.25Å; N481-F486 HydrophobicContact CB-CZ 3.64Å; N481-F486 PolarHBondContact N-O 3.17Å; N481-F486 PolarHBondContact O-N 3.07Å; N481-F486 VanDerWaalsContact O-N 3.08Å; N481-F486 VanDerWaalsContact O-O 3.12Å
482	R	95.8	Very high	96.6	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.019	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-39	-174.8	-171.7	177.8	165.2	-146.7	-18.1	110.1	G485 L516 D701 R703 P704 W705 C710 T722 E724	R482-G485 WeakPolarHBondContact O-CA 3.25Å; R482-G485 PolarHBondContact O-N 3.44Å; R482-L516 HydrophobicContact CB-CD1 4.38Å; R482-L516 HydrophobicContact CG-CD1 3.98Å; R482-D701 IonicContact CZ-OD2 2.68Å; R482-D701 IonicContact NE-OD2 3.33Å; R482-D701 IonicContact NH1-OD2 3.6Å; R482-D701 PolarHBondContact NH1-OD2 3.49Å; R482-R703 PolarHBondContact NE-O 2.88Å; R482-P704 PolarHBondContact NE-O 3.03Å; R482-P704 PolarHBondContact NH2-O 3.26Å; R482-W705 HydrophobicContact CB-CE3 4.16Å; R482-W705 HydrophobicContact CG-CB 4.41Å; R482-W705 HydrophobicContact CG-CE3 4.07Å; R482-W705 WeakPolarHBondContact O-CB 3.34Å; R482-C710 PolarHBondContact NH2-SG 3.49Å; R482-T722 PolarHBondContact NH1-OG1 2.84Å; R482-E724 IonicContact CZ-OE1 2.75Å; R482-E724 IonicContact NH1-OE1 3.69Å; R482-E724 PolarHBondContact NH1-OE1 2.76Å; R482-E724 VanDerWaalsContact NH1-OE1 3.08Å; R482-E724 IonicContact NH2-OE1 2.73Å
483	K	96.1	Very high	96.8	Very high	69 Å²	69	11.2 Å²	11.2	30%	0.3	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.5	178.5	-176.2	169.1	172	-177.2	0	112.6	T457 D458 N481 G485 W705	T457-K483 WeakPolarHBondContact O-CE 3.48Å; T457-K483 PolarHBondContact O-NZ 3.01Å; D458-K483 WeakPolarHBondContact O-CE 3.14Å; D458-K483 PolarHBondContact O-NZ 2.78Å; D458-K483 IonicContact OD2-NZ 2.92Å; D458-K483 PolarHBondContact OD2-NZ 2.77Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 3.32Å; N481-K483 PolarHBondContact OD1-N 2.81Å; K483-G485 PolarHBondContact O-N 2.77Å; K483-W705 HydrophobicContact CB-CD2 3.88Å; K483-W705 HydrophobicContact CB-CE3 4.02Å; K483-W705 HydrophobicContact CB-CG 4.29Å; K483-W705 HydrophobicContact CB-CZ2 4.49Å; K483-W705 HydrophobicContact CB-CZ3 4.39Å; K483-W705 HydrophobicContact CD-CZ2 4.24Å; K483-W705 HydrophobicContact CG-CD2 4.26Å; K483-W705 HydrophobicContact CG-CZ2 4.46Å
484	D	96.8	Very high	96.7	Very high	14 Å²	14	11.6 Å²	11.6	8%	0.075	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.7	173.9	-66.4	18.5	0	0	0	112.8	S406 S409 H454 T457 S459 N481 F486	S406-D484 WeakPolarHBondContact CB-OD2 3.28Å; S406-D484 PolarHBondContact OG-OD2 3.24Å; S406-D484 VanDerWaalsContact OG-OD2 3.09Å; S409-D484 WeakPolarHBondContact CB-O 3.44Å; S409-D484 PolarHBondContact OG-O 2.75Å; H454-D484 IonicContact CE1-OD2 2.74Å; H454-D484 IonicContact CG-OD2 3.64Å; H454-D484 IonicContact ND1-OD2 3.48Å; H454-D484 PolarHBondContact ND1-OD2 3.38Å; T457-D484 VanDerWaalsContact CB-OD1 3.25Å; T457-D484 WeakPolarHBondContact CB-OD1 3.48Å; T457-D484 PolarHBondContact OG1-OD1 2.78Å; T457-D484 PolarHBondContact OG1-OD2 3.25Å; S459-D484 WeakPolarHBondContact CB-OD1 3.43Å; S459-D484 PolarHBondContact OG-OD1 2.95Å; S459-D484 PolarHBondContact OG-OD2 3.31Å; N481-D484 HydrophobicContact CB-CB 4.31Å; N481-D484 PolarHBondContact O-N 3.38Å; N481-D484 PolarHBondContact OD1-N 2.75Å; D484-F486 HydrophobicContact CB-CD1 4.19Å; D484-F486 HydrophobicContact CB-CE1 3.96Å
485	G	96.3	Very high	96.4	Very high	10 Å²	10	16 Å²	16	10%	0.103	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	22.1	165.5	0	0	0	0	0	116.4	N481 R482 K483 F515 L516	N481-G485 PolarHBondContact O-N 3.39Å; N481-G485 VanDerWaalsContact O-N 3.11Å; R482-G485 WeakPolarHBondContact O-CA 3.25Å; R482-G485 PolarHBondContact O-N 3.44Å; K483-G485 PolarHBondContact O-N 2.77Å; G485-F515 CarbonylContact O-C 3.6Å; G485-F515 WeakPolarHBondContact O-CA 3.27Å; G485-L516 PolarHBondContact O-N 3.28Å
486	F	97.8	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.6	179.6	72.2	-90	0	0	0	115.2	A402 L405 S406 T461 N481 D484 L513 R514 F515	A402-F486 HydrophobicContact CB-CZ 4.2Å; L405-F486 HydrophobicContact CB-CD1 3.95Å; L405-F486 HydrophobicContact CB-CD2 4.03Å; L405-F486 HydrophobicContact CB-CE1 3.87Å; L405-F486 HydrophobicContact CB-CE2 3.97Å; L405-F486 HydrophobicContact CB-CG 4.03Å; L405-F486 HydrophobicContact CB-CZ 3.89Å; L405-F486 HydrophobicContact CD1-CD2 3.84Å; L405-F486 HydrophobicContact CD1-CE2 3.55Å; L405-F486 HydrophobicContact CD1-CZ 4.13Å; L405-F486 HydrophobicContact CG-CE2 4.42Å; S406-F486 WeakPolarHBondContact OG-CE1 3.4Å; T461-F486 HydrophobicContact CG2-CE2 4.33Å; T461-F486 HydrophobicContact CG2-CZ 4.27Å; N481-F486 CarbonylContact C-O 3.55Å; N481-F486 HydrophobicContact CB-CD1 4.3Å; N481-F486 HydrophobicContact CB-CE1 3.67Å; N481-F486 HydrophobicContact CB-CE2 4.25Å; N481-F486 HydrophobicContact CB-CZ 3.64Å; N481-F486 PolarHBondContact N-O 3.17Å; N481-F486 PolarHBondContact O-N 3.07Å; N481-F486 VanDerWaalsContact O-N 3.08Å; N481-F486 VanDerWaalsContact O-O 3.12Å; D484-F486 HydrophobicContact CB-CD1 4.19Å; D484-F486 HydrophobicContact CB-CE1 3.96Å; F486-L513 HydrophobicContact CB-CD1 4.21Å; F486-R514 VanDerWaalsContact CA-O 3.31Å; F486-R514 WeakPolarHBondContact CA-O 3.24Å; F486-F515 HydrophobicContact CB-CD1 4.11Å; F486-F515 HydrophobicContact CB-CE1 4.33Å
487	C	97.5	Very high	95.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.5	164.1	74.7	0	0	0	0	111.4	Y478 V479 C480 R514 L516	Y478-C487 HydrophobicContact CE2-CB 3.79Å; V479-C487 CarbonylContact O-C 3.21Å; V479-C487 WeakPolarHBondContact O-CA 3.47Å; V479-C487 WeakPolarHBondContact O-CB 3.38Å; C480-C487 HydrophobicContact CB-CB 4.36Å; C487-R514 PolarHBondContact N-O 3.11Å; C487-R514 VanDerWaalsContact N-O 3.1Å; C487-R514 PolarHBondContact O-N 3.4Å; C487-L516 HydrophobicContact CB-CD2 4.48Å
488	I	97.9	Very high	94.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.7	175.4	-59.2	168.2	0	0	0	108.6	Y399 L405 W424 F477 Y478 V479 A511 R512 L513	Y399-I488 HydrophobicContact CE1-CD1 3.73Å; L405-I488 HydrophobicContact CD1-CD1 3.55Å; W424-I488 HydrophobicContact CH2-CD1 3.79Å; W424-I488 HydrophobicContact CZ2-CD1 4.05Å; W424-I488 HydrophobicContact CZ3-CD1 4.37Å; F477-I488 HydrophobicContact CE2-CG2 3.98Å; Y478-I488 CarbonylContact C-O 3.59Å; Y478-I488 WeakPolarHBondContact CA-O 3.35Å; Y478-I488 WeakPolarHBondContact CD2-O 3.47Å; V479-I488 HydrophobicContact CB-CB 4.26Å; V479-I488 PolarHBondContact N-O 3.4Å; V479-I488 PolarHBondContact O-N 2.94Å; I488-A511 HydrophobicContact CG2-CB 3.95Å; I488-R512 VanDerWaalsContact CA-O 3.31Å; I488-R512 WeakPolarHBondContact CA-O 3.11Å; I488-L513 HydrophobicContact CD1-CB 4.46Å; I488-L513 HydrophobicContact CD1-CD1 4.02Å; I488-L513 HydrophobicContact CG1-CB 3.89Å; I488-L513 HydrophobicContact CG1-CD1 3.59Å; I488-L513 HydrophobicContact CG1-CG 4.31Å
489	S	96.3	Very high	93.9	Very high	12 Å²	12	26.5 Å²	26.5	8%	0.084	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.4	171.3	54.4	0	0	0	0	110.5	R512	S489-R512 PolarHBondContact N-O 2.89Å; S489-R512 PolarHBondContact O-N 2.97Å
490	G	95.7	Very high	93.1	Very high	7 Å²	7	27 Å²	27	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	169.3	173.8	0	0	0	0	0	114.4	A476 F477 Q510	A476-G490 WeakPolarHBondContact CA-O 3.49Å; F477-G490 WeakPolarHBondContact CD1-O 3.25Å; F477-G490 PolarHBondContact N-O 2.86Å; F477-G490 PolarHBondContact O-N 3.42Å; G490-Q510 WeakPolarHBondContact CA-O 2.96Å
491	S	95.8	Very high	92.3	Very high	23 Å²	23	29 Å²	29	16%	0.161	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.2	173.5	56.7	0	0	0	0	111.1	S475	S475-S491 CarbonylContact O-C 3.51Å; S475-S491 VanDerWaalsContact O-CA 3.31Å; S475-S491 WeakPolarHBondContact O-CA 3.2Å
492	I	95.3	Very high	91.7	Very high	5 Å²	5	30 Å²	30	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.3	-176.9	-65.7	167.5	0	0	0	109.7	F391 L395 I474 S475 F477 L507 D508	F391-I492 HydrophobicContact CE1-CG2 4.16Å; F391-I492 HydrophobicContact CZ-CG2 4.07Å; L395-I492 HydrophobicContact CD1-CD1 4.07Å; L395-I492 HydrophobicContact CD2-CD1 3.52Å; L395-I492 HydrophobicContact CG-CD1 4.47Å; I474-I492 WeakPolarHBondContact CA-O 3.3Å; S475-I492 PolarHBondContact N-O 3.48Å; S475-I492 PolarHBondContact O-N 3.45Å; F477-I492 HydrophobicContact CE1-CD1 3.83Å; F477-I492 HydrophobicContact CE1-CG1 4.11Å; I492-L507 HydrophobicContact CG2-CB 3.89Å; I492-L507 HydrophobicContact CG2-CD2 3.98Å; I492-L507 HydrophobicContact CG2-CG 4.41Å; I492-D508 WeakPolarHBondContact CA-O 3.23Å
493	L	94.5	Very high	91.3	Very high	39 Å²	39	30.8 Å²	30.8	20%	0.204	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.2	168.3	164.4	56.7	0	0	0	109.1	P472 P473 I474 R495 D508	P472-L493 HydrophobicContact CB-CD1 3.66Å; P472-L493 HydrophobicContact CG-CD1 4.27Å; P473-L493 WeakPolarHBondContact O-CA 3.44Å; I474-L493 HydrophobicContact CG1-CB 4.41Å; I474-L493 HydrophobicContact CG1-CD1 4.35Å; L493-R495 HydrophobicContact CD1-CG 4.05Å; L493-R495 HydrophobicContact CD2-CG 4.45Å; L493-R495 HydrophobicContact CG-CG 3.96Å; L493-D508 HydrophobicContact CB-CB 4.17Å; L493-D508 HydrophobicContact CD2-CB 4.4Å; L493-D508 HydrophobicContact CG-CB 4.29Å; L493-D508 PolarHBondContact N-O 3.47Å; L493-D508 PolarHBondContact O-N 2.99Å
494	A	91.8	Very high	91.1	Very high	20 Å²	20	27.6 Å²	27.6	17%	0.165	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.8	-179.6	0	0	0	0	0	112	P473 L507	P473-A494 HydrophobicContact CG-CB 4.45Å; P473-A494 VanDerWaalsContact CG-O 3.27Å; P473-A494 WeakPolarHBondContact CG-O 3.49Å; P473-A494 PolarHBondContact O-N 3.24Å; P473-A494 VanDerWaalsContact O-N 3.09Å; A494-L507 HydrophobicContact CB-CD2 4.39Å
495	R	89	Confident	90.8	Very high	121 Å²	121	28.7 Å²	28.7	46%	0.457	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	178.8	-60.7	-166	-75.4	-157.6	0.1	111.4	L493 I506 D508	L493-R495 HydrophobicContact CD1-CG 4.05Å; L493-R495 HydrophobicContact CD2-CG 4.45Å; L493-R495 HydrophobicContact CG-CG 3.96Å; R495-I506 HydrophobicContact CB-CB 4.46Å; R495-I506 PolarHBondContact N-O 3.08Å; R495-I506 PolarHBondContact O-N 3.37Å; R495-D508 IonicContact CZ-OD1 2.75Å; R495-D508 IonicContact CZ-OD2 2.73Å; R495-D508 VanDerWaalsContact CZ-OD2 3.23Å; R495-D508 IonicContact NE-OD1 2.75Å; R495-D508 IonicContact NE-OD2 2.66Å; R495-D508 PolarHBondContact NE-OD2 3.06Å; R495-D508 IonicContact NH2-OD1 3.67Å; R495-D508 PolarHBondContact NH2-OD1 2.88Å; R495-D508 IonicContact NH2-OD2 3.14Å; R495-D508 PolarHBondContact NH2-OD2 2.94Å
496	S	87.6	Confident	90.6	Very high	22 Å²	22	30.2 Å²	30.2	15%	0.154	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	98.2	-171.1	-69.1	0	0	0	0	112.2	D375 L376 S504	D375-S496 CarbonylContact C-O 3.59Å; D375-S496 VanDerWaalsContact CA-O 3.28Å; D375-S496 WeakPolarHBondContact CA-O 3.36Å; D375-S496 PolarHBondContact OD1-N 2.83Å; D375-S496 VanDerWaalsContact OD1-O 3.07Å; L376-S496 PolarHBondContact N-O 2.96Å; S496-S504 CarbonylContact C-O 3.53Å; S496-S504 WeakPolarHBondContact CA-O 3.3Å
497	K	86.5	Confident	90.4	Very high	92 Å²	92	31.9 Å²	31.9	40%	0.4	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.6	-171	-170.1	163.7	175.1	174.8	0	113	Y499 L503 S504 I506	K497-Y499 HydrophobicContact CB-CE2 3.85Å; K497-Y499 HydrophobicContact CD-CE1 4.38Å; K497-Y499 HydrophobicContact CD-CE2 4.32Å; K497-Y499 HydrophobicContact CG-CD2 4.43Å; K497-Y499 HydrophobicContact CG-CE1 4.42Å; K497-Y499 HydrophobicContact CG-CE2 3.76Å; K497-Y499 WeakPolarHBondContact O-CD2 3.49Å; K497-Y499 WeakPolarHBondContact O-CE2 3.39Å; K497-L503 WeakPolarHBondContact O-CA 3.35Å; K497-L503 WeakPolarHBondContact O-CD1 3.12Å; K497-S504 PolarHBondContact N-O 3.24Å; K497-S504 PolarHBondContact O-N 3.06Å; K497-I506 HydrophobicContact CB-CD1 4.34Å
498	F	84.3	Confident	90.1	Very high	7 Å²	7	34 Å²	34	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.2	178.5	176.5	-108.5	0	0	0	112.4	L367 L370 R371 G373 M374 L376 G500 F534 L535	L367-F498 HydrophobicContact CD2-CE2 3.76Å; L367-F498 HydrophobicContact CD2-CZ 3.66Å; L370-F498 HydrophobicContact CB-CD1 4.03Å; L370-F498 HydrophobicContact CB-CE1 3.79Å; L370-F498 HydrophobicContact CB-CZ 4.29Å; R371-F498 WeakPolarHBondContact O-CD1 3.48Å; G373-F498 PolarHBondContact N-O 2.81Å; M374-F498 PolarHBondContact O-N 3.31Å; L376-F498 HydrophobicContact CD1-CB 4.05Å; L376-F498 HydrophobicContact CD1-CD2 4.44Å; L376-F498 HydrophobicContact CD2-CB 3.84Å; L376-F498 HydrophobicContact CD2-CG 4.47Å; L376-F498 HydrophobicContact CG-CB 3.91Å; F498-G500 WeakPolarHBondContact CE2-O 3.41Å; F498-G500 WeakPolarHBondContact CZ-O 3.28Å; F498-F534 HydrophobicContact CE2-CD1 4.02Å; F498-F534 HydrophobicContact CE2-CE1 4.36Å; F498-L535 HydrophobicContact CE2-CD2 4.36Å; F498-L535 HydrophobicContact CZ-CD2 4.14Å
499	Y	82.6	Confident	89.8	Confident	108 Å²	108	35.9 Å²	35.9	42%	0.424	20%	0.198	S	C	.	.			trans	-118.8	3.3	-173.7	-63.4	-98.4	0	0	0	113.8	K497 S502 S504	K497-Y499 HydrophobicContact CB-CE2 3.85Å; K497-Y499 HydrophobicContact CD-CE1 4.38Å; K497-Y499 HydrophobicContact CD-CE2 4.32Å; K497-Y499 HydrophobicContact CG-CD2 4.43Å; K497-Y499 HydrophobicContact CG-CE1 4.42Å; K497-Y499 HydrophobicContact CG-CE2 3.76Å; K497-Y499 WeakPolarHBondContact O-CD2 3.49Å; K497-Y499 WeakPolarHBondContact O-CE2 3.39Å; Y499-S502 PolarHBondContact N-O 3.18Å; Y499-S504 WeakPolarHBondContact CE2-OG 3.36Å
500	G	81.8	Confident	89.6	Confident	11 Å²	11	38.8 Å²	38.8	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	103	-106.4	-166.9	0	0	0	0	0	109.9	F498 S502 L535	F498-G500 WeakPolarHBondContact CE2-O 3.41Å; F498-G500 WeakPolarHBondContact CZ-O 3.28Å; G500-S502 PolarHBondContact O-N 3.03Å; G500-S502 VanDerWaalsContact O-N 3.09Å; G500-L535 VanDerWaalsContact C-CD1 3.44Å; G500-L535 WeakPolarHBondContact O-CD1 3.22Å; G500-L535 VanDerWaalsContact O-CG 3.28Å; G500-L535 WeakPolarHBondContact O-CG 3.39Å
501	N	80.7	Confident	89.6	Confident	42 Å²	42	38.8 Å²	38.8	23%	0.225	21%	0.209	C	C	.	.	S	Bend	trans	-76.9	14.2	179.6	-155.7	37.4	0	0	0	115.2	G533 F534 L535 Y536	N501-G533 PolarHBondContact O-N 3.05Å; N501-F534 PolarHBondContact O-N 2.75Å; N501-F534 PolarHBondContact OD1-N 2.91Å; N501-L535 HydrophobicContact CB-CD1 4.21Å; N501-L535 HydrophobicContact CB-CG 4.36Å; N501-L535 WeakPolarHBondContact OD1-CA 3.37Å; N501-L535 VanDerWaalsContact OD1-CB 3.27Å; N501-L535 WeakPolarHBondContact OD1-CB 3.36Å; N501-L535 PolarHBondContact OD1-N 3.47Å; N501-Y536 HydrophobicContact CB-CE1 4.08Å; N501-Y536 HydrophobicContact CB-CE2 4.17Å; N501-Y536 WeakPolarHBondContact ND2-CD2 3.41Å; N501-Y536 WeakPolarHBondContact ND2-CE2 3.42Å; N501-Y536 PolarHBondContact ND2-O 3.05Å; N501-Y536 PolarHBondContact OD1-N 2.72Å; N501-Y536 PolarHBondContact OD1-O 2.74Å
502	S	85.3	Confident	89.7	Confident	21 Å²	21	40.7 Å²	40.7	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.3	174	53.8	0	0	0	0	113.1	Y499 G500 H530 C531	Y499-S502 PolarHBondContact N-O 3.18Å; G500-S502 PolarHBondContact O-N 3.03Å; G500-S502 VanDerWaalsContact O-N 3.09Å; S502-H530 VanDerWaalsContact CB-CE1 3.45Å; S502-H530 WeakPolarHBondContact CB-CE1 3.47Å; S502-H530 PolarHBondContact OG-CE1 3.06Å; S502-C531 CarbonylContact C-O 3.39Å; S502-C531 WeakPolarHBondContact CA-O 3.35Å; S502-C531 WeakPolarHBondContact CB-O 3.45Å
503	L	88.1	Confident	89.8	Confident	22 Å²	22	40.4 Å²	40.4	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.3	178.8	168.6	59.1	0	0	0	108	L376 K497 C531 F534	L376-L503 HydrophobicContact CD1-CD1 3.61Å; L376-L503 HydrophobicContact CD1-CD2 3.97Å; L376-L503 HydrophobicContact CD1-CG 4.38Å; L376-L503 HydrophobicContact CG-CD1 4.06Å; K497-L503 WeakPolarHBondContact O-CA 3.35Å; K497-L503 WeakPolarHBondContact O-CD1 3.12Å; L503-C531 HydrophobicContact CB-CB 4.45Å; L503-C531 PolarHBondContact N-O 3.04Å; L503-C531 PolarHBondContact O-N 2.64Å; L503-F534 HydrophobicContact CB-CD2 4.25Å; L503-F534 HydrophobicContact CD2-CD2 4.3Å; L503-F534 HydrophobicContact CD2-CE2 3.87Å; L503-F534 HydrophobicContact CD2-CZ 4.41Å
504	S	91.1	Very high	90	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	169.6	-58.9	0	0	0	0	111.1	S496 K497 Y499 A529 H530	S496-S504 CarbonylContact C-O 3.53Å; S496-S504 WeakPolarHBondContact CA-O 3.3Å; K497-S504 PolarHBondContact N-O 3.24Å; K497-S504 PolarHBondContact O-N 3.06Å; Y499-S504 WeakPolarHBondContact CE2-OG 3.36Å; S504-A529 CarbonylContact C-O 3.6Å; S504-A529 WeakPolarHBondContact CA-O 3.46Å; S504-H530 PolarHBondContact OG-ND1 3.17Å
505	A	91.2	Very high	90.2	Very high	37 Å²	37	40.2 Å²	40.2	31%	0.306	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107.3	159.7	0	0	0	0	0	108	Y528 A529	A505-Y528 WeakPolarHBondContact O-CA 3.34Å; A505-Y528 WeakPolarHBondContact O-CB 3.43Å; A505-A529 HydrophobicContact CB-CB 4.45Å; A505-A529 PolarHBondContact N-O 3.41Å; A505-A529 PolarHBondContact O-N 3.41Å
506	I	92.3	Very high	90.5	Very high	43 Å²	43	35.3 Å²	35.3	22%	0.221	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.3	178.8	-51.1	173.8	0	0	0	107.3	R495 K497 D508	R495-I506 HydrophobicContact CB-CB 4.46Å; R495-I506 PolarHBondContact N-O 3.08Å; R495-I506 PolarHBondContact O-N 3.37Å; K497-I506 HydrophobicContact CB-CD1 4.34Å; I506-D508 WeakPolarHBondContact CG2-OD2 3.27Å
507	L	92.5	Very high	90.7	Very high	35 Å²	35	38.1 Å²	38.1	18%	0.183	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	95.5	178.4	-58.4	-175.6	0	0	0	107.7	F391 I492 A494 M526	F391-L507 HydrophobicContact CE2-CD2 4.22Å; F391-L507 HydrophobicContact CZ-CD1 4.4Å; F391-L507 HydrophobicContact CZ-CD2 3.76Å; I492-L507 HydrophobicContact CG2-CB 3.89Å; I492-L507 HydrophobicContact CG2-CD2 3.98Å; I492-L507 HydrophobicContact CG2-CG 4.41Å; A494-L507 HydrophobicContact CB-CD2 4.39Å; L507-M526 HydrophobicContact CB-CB 4.08Å; L507-M526 HydrophobicContact CD1-CB 4.46Å
508	D	92.4	Very high	90.8	Very high	43 Å²	43	37.1 Å²	37.1	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.1	-178.2	-63.8	-91	0	0	0	110.5	I492 L493 R495 I506	I492-D508 WeakPolarHBondContact CA-O 3.23Å; L493-D508 HydrophobicContact CB-CB 4.17Å; L493-D508 HydrophobicContact CD2-CB 4.4Å; L493-D508 HydrophobicContact CG-CB 4.29Å; L493-D508 PolarHBondContact N-O 3.47Å; L493-D508 PolarHBondContact O-N 2.99Å; R495-D508 IonicContact CZ-OD1 2.75Å; R495-D508 IonicContact CZ-OD2 2.73Å; R495-D508 VanDerWaalsContact CZ-OD2 3.23Å; R495-D508 IonicContact NE-OD1 2.75Å; R495-D508 IonicContact NE-OD2 2.66Å; R495-D508 PolarHBondContact NE-OD2 3.06Å; R495-D508 IonicContact NH2-OD1 3.67Å; R495-D508 PolarHBondContact NH2-OD1 2.88Å; R495-D508 IonicContact NH2-OD2 3.14Å; R495-D508 PolarHBondContact NH2-OD2 2.94Å; I506-D508 WeakPolarHBondContact CG2-OD2 3.27Å
509	G	90.9	Very high	90.8	Very high	41 Å²	41	42.9 Å²	42.9	42%	0.423	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-177	-175.2	0	0	0	0	0	111.9
510	Q	92.6	Very high	91.4	Very high	73 Å²	73	38.5 Å²	38.5	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149	179	-74.6	-178.9	-17.3	0	0	111.2	G490 I524 T525	G490-Q510 WeakPolarHBondContact CA-O 2.96Å; Q510-I524 CarbonylContact C-O 3.52Å; Q510-I524 VanDerWaalsContact CA-O 3.29Å; Q510-I524 WeakPolarHBondContact CA-O 3.3Å; Q510-T525 HydrophobicContact CG-CG2 3.81Å
511	A	96.1	Very high	92.1	Very high	7 Å²	7	40.7 Å²	40.7	6%	0.058	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.1	162.5	0	0	0	0	0	108.7	F477 I488 I524	F477-A511 HydrophobicContact CZ-CB 3.91Å; I488-A511 HydrophobicContact CG2-CB 3.95Å; A511-I524 HydrophobicContact CB-CB 4.33Å; A511-I524 PolarHBondContact N-O 3.22Å; A511-I524 PolarHBondContact O-N 3.09Å
512	R	96.6	Very high	92.9	Very high	63 Å²	63	38.7 Å²	38.7	24%	0.238	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	99.9	176.1	-70	178.9	-178.5	-77.7	-1.1	108.9	I488 S489 E521 Y522 E694	I488-R512 VanDerWaalsContact CA-O 3.31Å; I488-R512 WeakPolarHBondContact CA-O 3.11Å; S489-R512 PolarHBondContact N-O 2.89Å; S489-R512 PolarHBondContact O-N 2.97Å; R512-E521 HydrophobicContact CB-CG 3.99Å; R512-E521 VanDerWaalsContact CD-OE1 3.28Å; R512-E521 WeakPolarHBondContact CD-OE1 3.41Å; R512-E521 HydrophobicContact CG-CG 4.46Å; R512-E521 WeakPolarHBondContact CG-OE1 3.49Å; R512-E521 IonicContact CZ-OE1 3.8Å; R512-E521 IonicContact NE-OE1 3.18Å; R512-E521 IonicContact NH1-OE1 3.02Å; R512-E521 PolarHBondContact NH1-OE1 3.3Å; R512-Y522 WeakPolarHBondContact CA-O 3.08Å; R512-E694 IonicContact CZ-OE1 2.7Å; R512-E694 IonicContact CZ-OE2 3.23Å; R512-E694 IonicContact NE-OE1 3.73Å; R512-E694 IonicContact NE-OE2 3.23Å; R512-E694 PolarHBondContact NE-OE2 3.45Å; R512-E694 IonicContact NH2-OE1 3.05Å; R512-E694 PolarHBondContact NH2-OE1 2.92Å; R512-E694 IonicContact NH2-OE2 2.82Å; R512-E694 PolarHBondContact NH2-OE2 3.49Å
513	L	98.1	Very high	93.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.3	173.8	163	61.9	0	0	0	109.6	L405 V421 F486 I488 F515 E521 Y522 I524	L405-L513 HydrophobicContact CD2-CD1 4.02Å; L405-L513 HydrophobicContact CD2-CD2 3.65Å; V421-L513 HydrophobicContact CB-CD2 4.49Å; V421-L513 HydrophobicContact CG1-CD2 3.89Å; V421-L513 HydrophobicContact CG2-CD2 3.72Å; F486-L513 HydrophobicContact CB-CD1 4.21Å; I488-L513 HydrophobicContact CD1-CB 4.46Å; I488-L513 HydrophobicContact CD1-CD1 4.02Å; I488-L513 HydrophobicContact CG1-CB 3.89Å; I488-L513 HydrophobicContact CG1-CD1 3.59Å; I488-L513 HydrophobicContact CG1-CG 4.31Å; L513-F515 HydrophobicContact CD1-CE1 4.28Å; L513-F515 HydrophobicContact CD2-CE2 4.44Å; L513-F515 HydrophobicContact CD2-CZ 4.02Å; L513-F515 HydrophobicContact CG-CZ 4.42Å; L513-E521 CarbonylContact O-C 3.52Å; L513-E521 VanDerWaalsContact O-CA 3.28Å; L513-E521 WeakPolarHBondContact O-CA 3.03Å; L513-Y522 PolarHBondContact N-O 2.87Å; L513-Y522 PolarHBondContact O-N 2.58Å; L513-I524 HydrophobicContact CB-CD1 4.2Å; L513-I524 HydrophobicContact CD2-CD1 4.38Å
514	R	97.6	Very high	94	Very high	54 Å²	54	37.2 Å²	37.2	20%	0.204	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.1	173.9	-60.3	178.8	-171.3	120.1	16.4	111.3	F486 C487 L516 E520 E521	F486-R514 VanDerWaalsContact CA-O 3.31Å; F486-R514 WeakPolarHBondContact CA-O 3.24Å; C487-R514 PolarHBondContact N-O 3.11Å; C487-R514 VanDerWaalsContact N-O 3.1Å; C487-R514 PolarHBondContact O-N 3.4Å; R514-L516 HydrophobicContact CB-CD2 4.4Å; R514-E520 VanDerWaalsContact CA-O 3.3Å; R514-E520 WeakPolarHBondContact CA-O 3.35Å; R514-E521 HydrophobicContact CG-CB 4.16Å; R514-E521 HydrophobicContact CG-CG 3.86Å; R514-E521 IonicContact CZ-OE2 3.5Å; R514-E521 VanDerWaalsContact CZ-OE2 3.23Å; R514-E521 IonicContact NE-OE2 3.42Å; R514-E521 PolarHBondContact NE-OE2 2.96Å; R514-E521 IonicContact NH2-OE2 3.75Å; R514-E521 PolarHBondContact NH2-OE2 2.77Å
515	F	97.6	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	108.7	162	-64.6	-57.1	0	0	0	109.6	A408 V421 G485 F486 L513 S517 R518 D519 E520 Y522	A408-F515 HydrophobicContact CB-CE1 4.04Å; A408-F515 HydrophobicContact CB-CZ 3.62Å; V421-F515 HydrophobicContact CG2-CE2 4Å; V421-F515 HydrophobicContact CG2-CZ 3.74Å; G485-F515 CarbonylContact O-C 3.6Å; G485-F515 WeakPolarHBondContact O-CA 3.27Å; F486-F515 HydrophobicContact CB-CD1 4.11Å; F486-F515 HydrophobicContact CB-CE1 4.33Å; L513-F515 HydrophobicContact CD1-CE1 4.28Å; L513-F515 HydrophobicContact CD2-CE2 4.44Å; L513-F515 HydrophobicContact CD2-CZ 4.02Å; L513-F515 HydrophobicContact CG-CZ 4.42Å; F515-S517 VanDerWaalsContact C-N 3.27Å; F515-S517 PolarHBondContact O-N 2.81Å; F515-R518 HydrophobicContact CB-CB 4.27Å; F515-R518 PolarHBondContact O-N 2.79Å; F515-R518 VanDerWaalsContact O-N 3.09Å; F515-D519 PolarHBondContact O-N 3.14Å; F515-D519 VanDerWaalsContact O-N 3.14Å; F515-E520 PolarHBondContact N-O 2.76Å; F515-Y522 HydrophobicContact CD2-CD2 4.21Å; F515-Y522 AromaticContact CD2-CE2 3.79Å; F515-Y522 HydrophobicContact CD2-CE2 3.79Å; F515-Y522 HydrophobicContact CE2-CD2 4Å; F515-Y522 AromaticContact CE2-CE2 3.62Å; F515-Y522 HydrophobicContact CE2-CE2 3.62Å
516	L	94.7	Very high	94.4	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.089	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33	-168.4	-54.3	-178.8	0	0	0	112.3	R482 G485 C487 R514	R482-L516 HydrophobicContact CB-CD1 4.38Å; R482-L516 HydrophobicContact CG-CD1 3.98Å; G485-L516 PolarHBondContact O-N 3.28Å; C487-L516 HydrophobicContact CB-CD2 4.48Å; R514-L516 HydrophobicContact CB-CD2 4.4Å
517	S	92.2	Very high	94.6	Very high	81 Å²	81	36.4 Å²	36.4	57%	0.566	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.7	178.5	53.6	0	0	0	0	114.8	F515	F515-S517 VanDerWaalsContact C-N 3.27Å; F515-S517 PolarHBondContact O-N 2.81Å
518	R	88.2	Confident	94.6	Very high	72 Å²	72	38.2 Å²	38.2	27%	0.272	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-9.4	-173	-61.5	-175.7	-179.8	-81.2	1.4	113.9	S409 L410 E411 F515 E520 K553	S409-R518 PolarHBondContact O-NE 2.87Å; L410-R518 PolarHBondContact O-NH2 3.38Å; E411-R518 VanDerWaalsContact O-CZ 3.3Å; E411-R518 PolarHBondContact O-NE 3.11Å; E411-R518 PolarHBondContact O-NH2 2.97Å; E411-R518 VanDerWaalsContact O-NH2 3.14Å; F515-R518 HydrophobicContact CB-CB 4.27Å; F515-R518 PolarHBondContact O-N 2.79Å; F515-R518 VanDerWaalsContact O-N 3.09Å; R518-E520 HydrophobicContact CB-CB 4.35Å; R518-E520 HydrophobicContact CB-CG 4.17Å; R518-E520 PolarHBondContact O-N 2.84Å; R518-K553 PolarHBondContact O-NZ 2.9Å
519	D	85	Confident	94.6	Very high	128 Å²	128	37.6 Å²	37.6	68%	0.684	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	47.7	-173	168.7	61.7	0	0	0	110.1	F515 K553	F515-D519 PolarHBondContact O-N 3.14Å; F515-D519 VanDerWaalsContact O-N 3.14Å; D519-K553 VanDerWaalsContact CB-NZ 3.35Å; D519-K553 WeakPolarHBondContact O-CD 3.49Å; D519-K553 WeakPolarHBondContact O-CE 3.46Å; D519-K553 PolarHBondContact O-NZ 2.84Å; D519-K553 IonicContact OD2-NZ 2.64Å; D519-K553 PolarHBondContact OD2-NZ 3.49Å
520	E	94.4	Very high	94.6	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.4	179.6	-79.8	176	-147.4	0	0	109.4	R417 R514 F515 R518 Y522 K553 T554	R417-E520 IonicContact CZ-OE1 3.71Å; R417-E520 IonicContact CZ-OE2 3.88Å; R417-E520 VanDerWaalsContact CZ-OE2 3.32Å; R417-E520 IonicContact NE-OE1 2.88Å; R417-E520 IonicContact NE-OE2 2.75Å; R417-E520 PolarHBondContact NE-OE2 3.38Å; R417-E520 VanDerWaalsContact NH2-CD 3.29Å; R417-E520 IonicContact NH2-OE1 2.79Å; R417-E520 PolarHBondContact NH2-OE1 2.89Å; R417-E520 IonicContact NH2-OE2 3.94Å; R417-E520 PolarHBondContact NH2-OE2 3.34Å; R417-E520 VanDerWaalsContact NH2-OE2 3.09Å; R514-E520 VanDerWaalsContact CA-O 3.3Å; R514-E520 WeakPolarHBondContact CA-O 3.35Å; F515-E520 PolarHBondContact N-O 2.76Å; R518-E520 HydrophobicContact CB-CB 4.35Å; R518-E520 HydrophobicContact CB-CG 4.17Å; R518-E520 PolarHBondContact O-N 2.84Å; E520-Y522 HydrophobicContact CB-CE2 4.24Å; E520-K553 HydrophobicContact CG-CD 4.04Å; E520-T554 HydrophobicContact CG-CG2 4.07Å
521	E	96.6	Very high	94.4	Very high	56 Å²	56	33.6 Å²	33.6	26%	0.262	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.1	173.3	-166.9	178.5	91.6	0	0	111	R512 L513 R514 C551	R512-E521 HydrophobicContact CB-CG 3.99Å; R512-E521 VanDerWaalsContact CD-OE1 3.28Å; R512-E521 WeakPolarHBondContact CD-OE1 3.41Å; R512-E521 HydrophobicContact CG-CG 4.46Å; R512-E521 WeakPolarHBondContact CG-OE1 3.49Å; R512-E521 IonicContact CZ-OE1 3.8Å; R512-E521 IonicContact NE-OE1 3.18Å; R512-E521 IonicContact NH1-OE1 3.02Å; R512-E521 PolarHBondContact NH1-OE1 3.3Å; L513-E521 CarbonylContact O-C 3.52Å; L513-E521 VanDerWaalsContact O-CA 3.28Å; L513-E521 WeakPolarHBondContact O-CA 3.03Å; R514-E521 HydrophobicContact CG-CB 4.16Å; R514-E521 HydrophobicContact CG-CG 3.86Å; R514-E521 IonicContact CZ-OE2 3.5Å; R514-E521 VanDerWaalsContact CZ-OE2 3.23Å; R514-E521 IonicContact NE-OE2 3.42Å; R514-E521 PolarHBondContact NE-OE2 2.96Å; R514-E521 IonicContact NH2-OE2 3.75Å; R514-E521 PolarHBondContact NH2-OE2 2.77Å; E521-C551 WeakPolarHBondContact O-CA 3.48Å; E521-C551 WeakPolarHBondContact O-CB 3.47Å; E521-C551 PolarHBondContact O-SG 2.9Å
522	Y	98.3	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.4	175	-71.2	-103.5	0	0	0	109.3	R417 I418 R512 L513 F515 E520 I549 Q550 C551	R417-Y522 WeakPolarHBondContact CB-OH 3.34Å; I418-Y522 HydrophobicContact CB-CE1 4.06Å; I418-Y522 HydrophobicContact CD1-CE1 4.34Å; I418-Y522 HydrophobicContact CG1-CE1 4.17Å; R512-Y522 WeakPolarHBondContact CA-O 3.08Å; L513-Y522 PolarHBondContact N-O 2.87Å; L513-Y522 PolarHBondContact O-N 2.58Å; F515-Y522 HydrophobicContact CD2-CD2 4.21Å; F515-Y522 AromaticContact CD2-CE2 3.79Å; F515-Y522 HydrophobicContact CD2-CE2 3.79Å; F515-Y522 HydrophobicContact CE2-CD2 4Å; F515-Y522 AromaticContact CE2-CE2 3.62Å; F515-Y522 HydrophobicContact CE2-CE2 3.62Å; E520-Y522 HydrophobicContact CB-CE2 4.24Å; Y522-I549 HydrophobicContact CD1-CG2 4.06Å; Y522-Q550 CarbonylContact C-O 3.48Å; Y522-Q550 VanDerWaalsContact CA-O 3.3Å; Y522-Q550 WeakPolarHBondContact CA-O 3.22Å; Y522-C551 HydrophobicContact CD1-CB 3.72Å; Y522-C551 HydrophobicContact CD2-CB 4.15Å; Y522-C551 HydrophobicContact CE1-CB 3.68Å; Y522-C551 HydrophobicContact CE2-CB 4.09Å; Y522-C551 HydrophobicContact CG-CB 3.96Å
523	A	97.6	Very high	93.1	Very high	10 Å²	10	33.1 Å²	33.1	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.4	171.7	0	0	0	0	0	110.1	I549 Q550	A523-I549 WeakPolarHBondContact O-CA 3.26Å; A523-Q550 HydrophobicContact CB-CG 4.15Å; A523-Q550 PolarHBondContact N-O 2.99Å; A523-Q550 PolarHBondContact O-N 3.28Å
524	I	97.9	Very high	92.1	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.7	-168.8	-60.6	-179.4	0	0	0	109.9	V421 W424 Y425 Q510 A511 L513 I548 I549	V421-I524 HydrophobicContact CG1-CD1 4.03Å; W424-I524 HydrophobicContact CZ3-CD1 3.94Å; Y425-I524 HydrophobicContact CD2-CG2 3.68Å; Y425-I524 HydrophobicContact CE2-CG2 3.4Å; Y425-I524 VanDerWaalsContact CE2-CG2 3.4Å; Q510-I524 CarbonylContact C-O 3.52Å; Q510-I524 VanDerWaalsContact CA-O 3.29Å; Q510-I524 WeakPolarHBondContact CA-O 3.3Å; A511-I524 HydrophobicContact CB-CB 4.33Å; A511-I524 PolarHBondContact N-O 3.22Å; A511-I524 PolarHBondContact O-N 3.09Å; L513-I524 HydrophobicContact CB-CD1 4.2Å; L513-I524 HydrophobicContact CD2-CD1 4.38Å; I524-I548 WeakPolarHBondContact CA-O 3.45Å; I524-I549 HydrophobicContact CD1-CG2 4.46Å; I524-I549 HydrophobicContact CG1-CB 4.44Å; I524-I549 HydrophobicContact CG1-CG1 4.09Å; I524-I549 HydrophobicContact CG1-CG2 4.11Å; I524-I549 HydrophobicContact CG2-CD1 4.45Å; I524-I549 HydrophobicContact CG2-CG1 4.15Å
525	T	96.6	Very high	90.7	Very high	28 Å²	28	33.4 Å²	33.4	17%	0.172	18%	0.177	C	C	.	.			trans	-94.6	173.6	172.7	62.3	0	0	0	0	112.6	Y425 Q510 V547 I548	Y425-T525 PolarHBondContact OH-O 3.04Å; Q510-T525 HydrophobicContact CG-CG2 3.81Å; T525-V547 WeakPolarHBondContact OG1-CA 3.46Å; T525-I548 PolarHBondContact N-O 3.5Å; T525-I548 PolarHBondContact OG1-N 3.43Å
526	M	94.3	Very high	89.3	Confident	31 Å²	31	40.2 Å²	40.2	15%	0.153	20%	0.204	C	C	.	.			trans	-116.7	149.6	178.2	-73.6	-67.3	-172.9	0	0	112.1	Y398 Y425 L507	Y398-M526 HydrophobicContact CD1-CE 4.2Å; Y398-M526 HydrophobicContact CD2-CE 4.4Å; Y398-M526 HydrophobicContact CE1-CE 4Å; Y398-M526 HydrophobicContact CE1-SD 4.04Å; Y398-M526 HydrophobicContact CE2-CE 4.19Å; Y398-M526 HydrophobicContact CG-CE 4.41Å; Y425-M526 HydrophobicContact CE2-SD 4.21Å; L507-M526 HydrophobicContact CB-CB 4.08Å; L507-M526 HydrophobicContact CD1-CB 4.46Å
527	P	95.4	Very high	88.3	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.039	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-71.6	158.5	167.6	33	-35.2	0	0	0	110.4	Y425 F429 G544 V547 F562	Y425-P527 VanDerWaalsContact OH-CD 3.31Å; Y425-P527 WeakPolarHBondContact OH-CD 3.36Å; F429-P527 HydrophobicContact CE1-CG 3.63Å; F429-P527 HydrophobicContact CZ-CG 3.92Å; P527-G544 WeakPolarHBondContact CB-O 3.49Å; P527-V547 HydrophobicContact CB-CG2 4.21Å; P527-V547 HydrophobicContact CG-CG2 4.42Å; P527-F562 HydrophobicContact CB-CB 4.43Å; P527-F562 HydrophobicContact CB-CD2 4Å; P527-F562 HydrophobicContact CB-CE2 4.4Å; P527-F562 HydrophobicContact CB-CG 4.07Å; P527-F562 HydrophobicContact CG-CD2 4.43Å; P527-F562 HydrophobicContact CG-CE2 4.36Å; P527-F562 HydrophobicContact CG-CZ 4.41Å
528	Y	93.6	Very high	87.6	Confident	73 Å²	73	42.6 Å²	42.6	29%	0.286	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.1	168.5	64.5	-96.4	0	0	0	110.6	A505 H530 G544 L564	A505-Y528 WeakPolarHBondContact O-CA 3.34Å; A505-Y528 WeakPolarHBondContact O-CB 3.43Å; Y528-H530 HydrophobicContact CD2-CB 4.11Å; Y528-H530 HydrophobicContact CE2-CB 3.93Å; Y528-G544 WeakPolarHBondContact CD1-O 3.35Å; Y528-G544 VanDerWaalsContact CE1-C 3.43Å; Y528-G544 WeakPolarHBondContact CE1-O 3.33Å; Y528-G544 PolarHBondContact N-O 2.97Å; Y528-G544 PolarHBondContact O-N 3.16Å; Y528-L564 HydrophobicContact CE2-CD1 4.39Å
529	A	91.8	Very high	87.3	Confident	30 Å²	30	39.6 Å²	39.6	25%	0.248	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.3	170.5	0	0	0	0	0	109.7	S504 A505 L541 L543	S504-A529 CarbonylContact C-O 3.6Å; S504-A529 WeakPolarHBondContact CA-O 3.46Å; A505-A529 HydrophobicContact CB-CB 4.45Å; A505-A529 PolarHBondContact N-O 3.41Å; A505-A529 PolarHBondContact O-N 3.41Å; A529-L541 HydrophobicContact CB-CD1 4.23Å; A529-L543 HydrophobicContact CB-CD2 4.21Å
530	H	90.9	Very high	87.2	Confident	19 Å²	19	34.4 Å²	34.4	9%	0.088	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110.9	-173.2	-169.8	70	0	0	0	111.4	S502 S504 Y528 E542 L564	S502-H530 VanDerWaalsContact CB-CE1 3.45Å; S502-H530 WeakPolarHBondContact CB-CE1 3.47Å; S502-H530 PolarHBondContact OG-CE1 3.06Å; S504-H530 PolarHBondContact OG-ND1 3.17Å; Y528-H530 HydrophobicContact CD2-CB 4.11Å; Y528-H530 HydrophobicContact CE2-CB 3.93Å; H530-E542 PolarHBondContact N-O 3.26Å; H530-E542 PolarHBondContact O-N 3.35Å; H530-L564 HydrophobicContact CB-CD2 3.87Å
531	C	88.6	Confident	86.8	Confident	11 Å²	11	36 Å²	36	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.1	171.8	-178.2	0	0	0	0	109.7	S502 L503 T540	S502-C531 CarbonylContact C-O 3.39Å; S502-C531 WeakPolarHBondContact CA-O 3.35Å; S502-C531 WeakPolarHBondContact CB-O 3.45Å; L503-C531 HydrophobicContact CB-CB 4.45Å; L503-C531 PolarHBondContact N-O 3.04Å; L503-C531 PolarHBondContact O-N 2.64Å; C531-T540 CarbonylContact C-O 3.4Å; C531-T540 WeakPolarHBondContact CA-O 3.15Å
532	K	87.1	Confident	86.5	Confident	52 Å²	52	34 Å²	34	23%	0.226	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	164.9	165.2	-64.5	-179.6	-173.4	159.3	0	110.5	F534 M539 T540 E542 K565	K532-F534 VanDerWaalsContact C-N 3.33Å; K532-F534 PolarHBondContact O-N 3.5Å; K532-M539 WeakPolarHBondContact O-CA 3.25Å; K532-T540 PolarHBondContact N-O 3Å; K532-T540 PolarHBondContact O-N 3.3Å; K532-T540 VanDerWaalsContact O-N 3.12Å; K532-E542 WeakPolarHBondContact CD-OE1 3.46Å; K532-E542 VanDerWaalsContact CE-OE1 3.31Å; K532-E542 WeakPolarHBondContact CE-OE1 3.48Å; K532-E542 VanDerWaalsContact CE-OE2 3.3Å; K532-E542 WeakPolarHBondContact CE-OE2 3.35Å; K532-E542 IonicContact NZ-OE1 2.72Å; K532-E542 PolarHBondContact NZ-OE1 3.42Å; K532-E542 IonicContact NZ-OE2 3.4Å; K532-E542 PolarHBondContact NZ-OE2 2.84Å; K532-K565 PolarHBondContact NZ-O 2.77Å
533	G	79.6	Confident	86.2	Confident	7 Å²	7	35.2 Å²	35.2	7%	0.072	20%	0.198	C	C	.	.			trans	75.2	14.4	171.6	0	0	0	0	0	115.8	N501 L535 Y536 T538 M539	N501-G533 PolarHBondContact O-N 3.05Å; G533-L535 PolarHBondContact O-N 3.04Å; G533-L535 VanDerWaalsContact O-N 3.16Å; G533-Y536 PolarHBondContact O-N 3.49Å; G533-T538 WeakPolarHBondContact CA-O 3.44Å; G533-M539 WeakPolarHBondContact O-CG 3.34Å
534	F	76.8	Confident	86	Confident	9 Å²	9	34.7 Å²	34.7	4%	0.039	19%	0.194	C	C	.	.	S	Bend	trans	-65.2	-20.3	-169.4	-167.4	-86.4	0	0	0	114.5	I363 L367 L381 F498 N501 L503 K532 M539	I363-F534 HydrophobicContact CG2-CD1 4.29Å; I363-F534 HydrophobicContact CG2-CE1 3.83Å; I363-F534 HydrophobicContact CG2-CZ 4.18Å; L367-F534 HydrophobicContact CD2-CD1 3.94Å; L367-F534 HydrophobicContact CD2-CE1 3.78Å; L367-F534 HydrophobicContact CG-CE1 4.39Å; L381-F534 HydrophobicContact CD2-CZ 4.23Å; F498-F534 HydrophobicContact CE2-CD1 4.02Å; F498-F534 HydrophobicContact CE2-CE1 4.36Å; N501-F534 PolarHBondContact O-N 2.75Å; N501-F534 PolarHBondContact OD1-N 2.91Å; L503-F534 HydrophobicContact CB-CD2 4.25Å; L503-F534 HydrophobicContact CD2-CD2 4.3Å; L503-F534 HydrophobicContact CD2-CE2 3.87Å; L503-F534 HydrophobicContact CD2-CZ 4.41Å; K532-F534 VanDerWaalsContact C-N 3.33Å; K532-F534 PolarHBondContact O-N 3.5Å; F534-M539 HydrophobicContact CD2-CE 3.53Å; F534-M539 HydrophobicContact CE2-CE 4.04Å; F534-M539 HydrophobicContact CG-CE 4.26Å
535	L	68.6	Low	85.9	Confident	52 Å²	52	35.5 Å²	35.5	27%	0.272	20%	0.203	S	C	.	.	S	Bend	trans	-104.7	-43.9	172.8	-48.9	173.9	0	0	0	112.2	L367 F498 G500 N501 G533	L367-L535 HydrophobicContact CB-CD2 4.49Å; L367-L535 HydrophobicContact CD1-CD2 3.31Å; L367-L535 HydrophobicContact CD2-CD2 3.18Å; L367-L535 HydrophobicContact CG-CD2 3.78Å; F498-L535 HydrophobicContact CE2-CD2 4.36Å; F498-L535 HydrophobicContact CZ-CD2 4.14Å; G500-L535 VanDerWaalsContact C-CD1 3.44Å; G500-L535 WeakPolarHBondContact O-CD1 3.22Å; G500-L535 VanDerWaalsContact O-CG 3.28Å; G500-L535 WeakPolarHBondContact O-CG 3.39Å; N501-L535 HydrophobicContact CB-CD1 4.21Å; N501-L535 HydrophobicContact CB-CG 4.36Å; N501-L535 WeakPolarHBondContact OD1-CA 3.37Å; N501-L535 VanDerWaalsContact OD1-CB 3.27Å; N501-L535 WeakPolarHBondContact OD1-CB 3.36Å; N501-L535 PolarHBondContact OD1-N 3.47Å; G533-L535 PolarHBondContact O-N 3.04Å; G533-L535 VanDerWaalsContact O-N 3.16Å
536	Y	67.6	Low	85.9	Confident	144 Å²	144	39.7 Å²	39.7	57%	0.565	22%	0.219	S	C	*	.	S	Bend	trans	-155.9	145.6	-169.5	54.3	-102.5	0	0	0	111.7	N501 G533	N501-Y536 HydrophobicContact CB-CE1 4.08Å; N501-Y536 HydrophobicContact CB-CE2 4.17Å; N501-Y536 WeakPolarHBondContact ND2-CD2 3.41Å; N501-Y536 WeakPolarHBondContact ND2-CE2 3.42Å; N501-Y536 PolarHBondContact ND2-O 3.05Å; N501-Y536 PolarHBondContact OD1-N 2.72Å; N501-Y536 PolarHBondContact OD1-O 2.74Å; G533-Y536 PolarHBondContact O-N 3.49Å
537	G	72.6	Confident	86.1	Confident	73 Å²	73	38.2 Å²	38.2	75%	0.753	21%	0.211	S	C	*	.	S	Bend	trans	90.1	-167.7	-167.4	0	0	0	0	0	111.5
538	T	78	Confident	86.2	Confident	75 Å²	75	40.5 Å²	40.5	46%	0.46	22%	0.223	S	C	.	.			trans	-79.8	134.4	175	-51.3	0	0	0	0	109.7	V352 G533	V352-T538 HydrophobicContact CB-CG2 4.11Å; V352-T538 HydrophobicContact CG1-CG2 3.38Å; V352-T538 HydrophobicContact CG2-CG2 3.79Å; G533-T538 WeakPolarHBondContact CA-O 3.44Å
539	M	81.4	Confident	86.4	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.044	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.8	172.7	-66.7	-177.6	77.1	0	0	109.6	V352 E353 V355 I363 L436 K532 G533 F534	V352-M539 WeakPolarHBondContact CA-O 3.42Å; E353-M539 PolarHBondContact N-O 2.72Å; E353-M539 VanDerWaalsContact N-O 3.16Å; V355-M539 HydrophobicContact CG2-CG 4.37Å; V355-M539 HydrophobicContact CG2-SD 3.42Å; V355-M539 WeakPolarHBondContact CG2-SD 3.27Å; I363-M539 HydrophobicContact CD1-SD 4Å; L436-M539 HydrophobicContact CD1-CB 4.05Å; L436-M539 HydrophobicContact CD2-CB 4.26Å; L436-M539 HydrophobicContact CD2-CE 3.57Å; L436-M539 HydrophobicContact CD2-SD 4.4Å; K532-M539 WeakPolarHBondContact O-CA 3.25Å; G533-M539 WeakPolarHBondContact O-CG 3.34Å; F534-M539 HydrophobicContact CD2-CE 3.53Å; F534-M539 HydrophobicContact CE2-CE 4.04Å; F534-M539 HydrophobicContact CG-CE 4.26Å
540	T	83.7	Confident	86.7	Confident	18 Å²	18	39.3 Å²	39.3	11%	0.11	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.4	-176.4	-51.7	0	0	0	0	110.9	Q351 V352 C531 K532 E542	Q351-T540 HydrophobicContact CB-CG2 4.24Å; Q351-T540 CarbonylContact O-C 3.29Å; Q351-T540 VanDerWaalsContact O-CA 3.29Å; Q351-T540 WeakPolarHBondContact O-CA 3.44Å; V352-T540 HydrophobicContact CG2-CG2 4.4Å; C531-T540 CarbonylContact C-O 3.4Å; C531-T540 WeakPolarHBondContact CA-O 3.15Å; K532-T540 PolarHBondContact N-O 3Å; K532-T540 PolarHBondContact O-N 3.3Å; K532-T540 VanDerWaalsContact O-N 3.12Å; T540-E542 HydrophobicContact CG2-CG 4.38Å
541	L	86.8	Confident	87	Confident	51 Å²	51	38.5 Å²	38.5	27%	0.267	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.2	176.4	-173.3	65	0	0	0	111.7	Q351 L436 A529	Q351-L541 WeakPolarHBondContact CB-O 3.26Å; Q351-L541 WeakPolarHBondContact CG-O 3.18Å; Q351-L541 PolarHBondContact NE2-O 3.07Å; Q351-L541 PolarHBondContact O-N 2.93Å; L436-L541 HydrophobicContact CD1-CB 3.8Å; L436-L541 HydrophobicContact CG-CB 4.48Å; A529-L541 HydrophobicContact CB-CD1 4.23Å
542	E	89.1	Confident	87.3	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.9	175	-67.1	174.4	-152.3	0	0	110.8	H530 K532 T540 L564 K565	H530-E542 PolarHBondContact N-O 3.26Å; H530-E542 PolarHBondContact O-N 3.35Å; K532-E542 WeakPolarHBondContact CD-OE1 3.46Å; K532-E542 VanDerWaalsContact CE-OE1 3.31Å; K532-E542 WeakPolarHBondContact CE-OE1 3.48Å; K532-E542 VanDerWaalsContact CE-OE2 3.3Å; K532-E542 WeakPolarHBondContact CE-OE2 3.35Å; K532-E542 IonicContact NZ-OE1 2.72Å; K532-E542 PolarHBondContact NZ-OE1 3.42Å; K532-E542 IonicContact NZ-OE2 3.4Å; K532-E542 PolarHBondContact NZ-OE2 2.84Å; T540-E542 HydrophobicContact CG2-CG 4.38Å; E542-L564 HydrophobicContact CB-CD2 3.73Å; E542-L564 WeakPolarHBondContact OE2-CA 3.2Å; E542-L564 WeakPolarHBondContact OE2-CB 3.46Å; E542-K565 WeakPolarHBondContact OE1-CB 3.44Å; E542-K565 PolarHBondContact OE2-N 2.91Å
543	L	92.4	Very high	87.6	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.131	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.9	167	-63.6	179	0	0	0	108.9	F429 A529 F562 W595	F429-L543 HydrophobicContact CB-CD1 4.4Å; F429-L543 HydrophobicContact CD1-CD1 3.4Å; F429-L543 HydrophobicContact CE1-CD1 3.97Å; F429-L543 HydrophobicContact CG-CD1 4.16Å; A529-L543 HydrophobicContact CB-CD2 4.21Å; L543-F562 HydrophobicContact CB-CD1 3.84Å; L543-F562 HydrophobicContact CD1-CD1 4.3Å; L543-F562 HydrophobicContact CD1-CE1 4.2Å; L543-W595 HydrophobicContact CB-CZ2 4.16Å; L543-W595 HydrophobicContact CD1-CD2 4.21Å; L543-W595 HydrophobicContact CD1-CE3 4.37Å; L543-W595 HydrophobicContact CD1-CH2 3.87Å; L543-W595 HydrophobicContact CD1-CZ2 3.7Å; L543-W595 HydrophobicContact CD1-CZ3 4.2Å; L543-W595 HydrophobicContact CG-CH2 4.21Å; L543-W595 HydrophobicContact CG-CZ2 3.8Å
544	G	94	Very high	88.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.9	-175.4	0	0	0	0	0	114.4	P527 Y528 F562	P527-G544 WeakPolarHBondContact CB-O 3.49Å; Y528-G544 WeakPolarHBondContact CD1-O 3.35Å; Y528-G544 VanDerWaalsContact CE1-C 3.43Å; Y528-G544 WeakPolarHBondContact CE1-O 3.33Å; Y528-G544 PolarHBondContact N-O 2.97Å; Y528-G544 PolarHBondContact O-N 3.16Å; G544-F562 WeakPolarHBondContact CA-O 3.48Å
545	G	95.5	Very high	89.2	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-176.5	173.2	0	0	0	0	0	113.8	F562	G545-F562 PolarHBondContact N-O 3.33Å; G545-F562 VanDerWaalsContact N-O 3.11Å; G545-F562 PolarHBondContact O-N 3.27Å
546	K	96.8	Very high	90.5	Very high	116 Å²	116	51.8 Å²	51.8	50%	0.504	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	-178.2	-66.3	-167.7	170	-154.1	0	110.9	E559 L560 E561	K546-E559 WeakPolarHBondContact CD-OE1 3.46Å; K546-E559 WeakPolarHBondContact CE-OE1 3.45Å; K546-E559 IonicContact NZ-OE1 3.24Å; K546-E559 PolarHBondContact NZ-OE1 2.79Å; K546-L560 WeakPolarHBondContact CA-O 3.44Å; K546-E561 WeakPolarHBondContact CE-OE1 3.5Å; K546-E561 HydrophobicContact CG-CB 4.33Å; K546-E561 HydrophobicContact CG-CG 4.26Å; K546-E561 IonicContact NZ-OE1 2.67Å
547	V	97.6	Very high	92	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.8	170.1	168.4	0	0	0	0	108.7	Y425 T525 P527 I549 E559 L560 F562	Y425-V547 HydrophobicContact CE1-CB 4.42Å; Y425-V547 HydrophobicContact CE1-CG1 3.69Å; Y425-V547 HydrophobicContact CE1-CG2 4.22Å; Y425-V547 HydrophobicContact CE2-CG1 4.42Å; Y425-V547 WeakPolarHBondContact OH-CG1 3.5Å; Y425-V547 WeakPolarHBondContact OH-CG2 3.3Å; T525-V547 WeakPolarHBondContact OG1-CA 3.46Å; P527-V547 HydrophobicContact CB-CG2 4.21Å; P527-V547 HydrophobicContact CG-CG2 4.42Å; V547-I549 HydrophobicContact CG1-CG1 4.31Å; V547-E559 WeakPolarHBondContact O-CA 3.32Å; V547-L560 HydrophobicContact CB-CB 4.24Å; V547-L560 PolarHBondContact N-O 2.95Å; V547-L560 PolarHBondContact O-N 3.09Å; V547-F562 HydrophobicContact CB-CE2 4.41Å; V547-F562 HydrophobicContact CG2-CD2 4Å; V547-F562 HydrophobicContact CG2-CE2 3.78Å
548	I	97.9	Very high	93.2	Very high	55 Å²	55	44.1 Å²	44.1	28%	0.282	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.6	172	-65.2	171.8	0	0	0	107.8	I524 T525 Q550 F557 A558	I524-I548 WeakPolarHBondContact CA-O 3.45Å; T525-I548 PolarHBondContact N-O 3.5Å; T525-I548 PolarHBondContact OG1-N 3.43Å; I548-Q550 HydrophobicContact CG2-CB 4.07Å; I548-Q550 HydrophobicContact CG2-CG 4.04Å; I548-F557 HydrophobicContact CB-CE2 4.49Å; I548-F557 HydrophobicContact CD1-CE2 4.28Å; I548-F557 HydrophobicContact CD1-CZ 4.45Å; I548-F557 HydrophobicContact CG1-CE2 4.23Å; I548-F557 HydrophobicContact CG1-CZ 4.26Å; I548-F557 HydrophobicContact CG2-CD2 4.04Å; I548-F557 HydrophobicContact CG2-CE2 3.54Å; I548-F557 HydrophobicContact CG2-CZ 4.29Å; I548-A558 WeakPolarHBondContact CA-O 3.36Å
549	I	98.3	Very high	94.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.5	167.3	-61.5	-171.5	0	0	0	106.3	I418 V421 L422 Y425 Y522 A523 I524 V547 A558	I418-I549 HydrophobicContact CD1-CG2 4.31Å; I418-I549 HydrophobicContact CG1-CG2 4.25Å; V421-I549 HydrophobicContact CG1-CD1 4.33Å; V421-I549 HydrophobicContact CG1-CG2 3.95Å; L422-I549 HydrophobicContact CD2-CD1 3.89Å; L422-I549 HydrophobicContact CG-CD1 4.36Å; Y425-I549 HydrophobicContact CD1-CD1 4.31Å; Y425-I549 HydrophobicContact CD2-CD1 4.18Å; Y425-I549 HydrophobicContact CG-CD1 3.89Å; Y522-I549 HydrophobicContact CD1-CG2 4.06Å; A523-I549 WeakPolarHBondContact O-CA 3.26Å; I524-I549 HydrophobicContact CD1-CG2 4.46Å; I524-I549 HydrophobicContact CG1-CB 4.44Å; I524-I549 HydrophobicContact CG1-CG1 4.09Å; I524-I549 HydrophobicContact CG1-CG2 4.11Å; I524-I549 HydrophobicContact CG2-CD1 4.45Å; I524-I549 HydrophobicContact CG2-CG1 4.15Å; V547-I549 HydrophobicContact CG1-CG1 4.31Å; I549-A558 HydrophobicContact CB-CB 4.42Å; I549-A558 PolarHBondContact N-O 2.93Å; I549-A558 PolarHBondContact O-N 3.4Å
550	Q	97.6	Very high	94.9	Very high	76 Å²	76	41.9 Å²	41.9	36%	0.355	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.9	-174.7	66.3	-177.3	22.9	0	0	112.7	Y522 A523 I548 C556 F557	Y522-Q550 CarbonylContact C-O 3.48Å; Y522-Q550 VanDerWaalsContact CA-O 3.3Å; Y522-Q550 WeakPolarHBondContact CA-O 3.22Å; A523-Q550 HydrophobicContact CB-CG 4.15Å; A523-Q550 PolarHBondContact N-O 2.99Å; A523-Q550 PolarHBondContact O-N 3.28Å; I548-Q550 HydrophobicContact CG2-CB 4.07Å; I548-Q550 HydrophobicContact CG2-CG 4.04Å; Q550-C556 CarbonylContact C-O 3.45Å; Q550-C556 VanDerWaalsContact CA-O 3.29Å; Q550-C556 WeakPolarHBondContact CA-O 3.3Å; Q550-F557 HydrophobicContact CB-CD2 4.05Å
551	C	97.4	Very high	95.6	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.9	171.1	-179.6	0	0	0	0	109.6	E521 Y522 K553 T554 K555 C556	E521-C551 WeakPolarHBondContact O-CA 3.48Å; E521-C551 WeakPolarHBondContact O-CB 3.47Å; E521-C551 PolarHBondContact O-SG 2.9Å; Y522-C551 HydrophobicContact CD1-CB 3.72Å; Y522-C551 HydrophobicContact CD2-CB 4.15Å; Y522-C551 HydrophobicContact CE1-CB 3.68Å; Y522-C551 HydrophobicContact CE2-CB 4.09Å; Y522-C551 HydrophobicContact CG-CB 3.96Å; C551-K553 PolarHBondContact O-N 3.2Å; C551-T554 WeakPolarHBondContact CB-OG1 3.18Å; C551-T554 PolarHBondContact SG-OG1 2.8Å; C551-T554 VanDerWaalsContact SG-OG1 3.39Å; C551-K555 WeakPolarHBondContact O-CA 3.44Å; C551-K555 PolarHBondContact O-N 3.14Å; C551-K555 VanDerWaalsContact O-N 3.15Å; C551-C556 PolarHBondContact N-O 2.94Å; C551-C556 PolarHBondContact O-N 2.92Å
552	E	94.8	Very high	96.1	Very high	156 Å²	156	42 Å²	42	73%	0.729	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.6	-176.3	-177.1	168.2	-174.2	0	0	112.6	K555	E552-K555 VanDerWaalsContact O-CD 3.24Å; E552-K555 WeakPolarHBondContact O-CD 3.18Å; E552-K555 WeakPolarHBondContact O-CE 3.19Å; E552-K555 PolarHBondContact O-NZ 3.29Å; E552-K555 IonicContact OE1-NZ 3.34Å
553	K	93.9	Very high	96.4	Very high	115 Å²	115	44.3 Å²	44.3	50%	0.5	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-44.4	-177.9	-176.6	174.7	178.1	177.6	0	112.5	R518 D519 E520 C551	R518-K553 PolarHBondContact O-NZ 2.9Å; D519-K553 VanDerWaalsContact CB-NZ 3.35Å; D519-K553 WeakPolarHBondContact O-CD 3.49Å; D519-K553 WeakPolarHBondContact O-CE 3.46Å; D519-K553 PolarHBondContact O-NZ 2.84Å; D519-K553 IonicContact OD2-NZ 2.64Å; D519-K553 PolarHBondContact OD2-NZ 3.49Å; E520-K553 HydrophobicContact CG-CD 4.04Å; C551-K553 PolarHBondContact O-N 3.2Å
554	T	94.4	Very high	96.3	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.147	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.3	-178	55.6	0	0	0	0	113.6	A414 E520 C551 C556	A414-T554 HydrophobicContact CB-CG2 3.96Å; E520-T554 HydrophobicContact CG-CG2 4.07Å; C551-T554 WeakPolarHBondContact CB-OG1 3.18Å; C551-T554 PolarHBondContact SG-OG1 2.8Å; C551-T554 VanDerWaalsContact SG-OG1 3.39Å; T554-C556 PolarHBondContact O-N 3.08Å; T554-C556 PolarHBondContact O-SG 2.82Å; T554-C556 VanDerWaalsContact O-SG 3.4Å; T554-C556 PolarHBondContact OG1-SG 2.73Å; T554-C556 VanDerWaalsContact OG1-SG 3.32Å
555	K	95.8	Very high	96	Very high	113 Å²	113	47.4 Å²	47.4	49%	0.491	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	28.9	-173.9	-53.9	-60.1	172.9	-154.1	0	113.7	C551 E552 E584	C551-K555 WeakPolarHBondContact O-CA 3.44Å; C551-K555 PolarHBondContact O-N 3.14Å; C551-K555 VanDerWaalsContact O-N 3.15Å; E552-K555 VanDerWaalsContact O-CD 3.24Å; E552-K555 WeakPolarHBondContact O-CD 3.18Å; E552-K555 WeakPolarHBondContact O-CE 3.19Å; E552-K555 PolarHBondContact O-NZ 3.29Å; E552-K555 IonicContact OE1-NZ 3.34Å; K555-E584 HydrophobicContact CB-CG 4.11Å; K555-E584 PolarHBondContact O-N 3.38Å
556	C	95.7	Very high	95.3	Very high	2 Å²	2	50 Å²	50	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.8	176.2	-66.3	0	0	0	0	109.9	I418 Q550 C551 T554 I583	I418-C556 HydrophobicContact CD1-CB 3.84Å; Q550-C556 CarbonylContact C-O 3.45Å; Q550-C556 VanDerWaalsContact CA-O 3.29Å; Q550-C556 WeakPolarHBondContact CA-O 3.3Å; C551-C556 PolarHBondContact N-O 2.94Å; C551-C556 PolarHBondContact O-N 2.92Å; T554-C556 PolarHBondContact O-N 3.08Å; T554-C556 PolarHBondContact O-SG 2.82Å; T554-C556 VanDerWaalsContact O-SG 3.4Å; T554-C556 PolarHBondContact OG1-SG 2.73Å; T554-C556 VanDerWaalsContact OG1-SG 3.32Å; C556-I583 HydrophobicContact CB-CG1 4.3Å; C556-I583 VanDerWaalsContact SG-CD1 3.51Å
557	F	97.8	Very high	94.1	Very high	55 Å²	55	53.5 Å²	53.5	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126	179.6	174.9	-87.6	0	0	0	110	I548 Q550 E559 V582	I548-F557 HydrophobicContact CB-CE2 4.49Å; I548-F557 HydrophobicContact CD1-CE2 4.28Å; I548-F557 HydrophobicContact CD1-CZ 4.45Å; I548-F557 HydrophobicContact CG1-CE2 4.23Å; I548-F557 HydrophobicContact CG1-CZ 4.26Å; I548-F557 HydrophobicContact CG2-CD2 4.04Å; I548-F557 HydrophobicContact CG2-CE2 3.54Å; I548-F557 HydrophobicContact CG2-CZ 4.29Å; Q550-F557 HydrophobicContact CB-CD2 4.05Å; F557-E559 HydrophobicContact CE1-CB 3.82Å; F557-E559 HydrophobicContact CZ-CB 4.19Å; F557-V582 HydrophobicContact CD1-CB 4.4Å; F557-V582 HydrophobicContact CD1-CG2 4.5Å; F557-V582 PolarHBondContact N-O 3.11Å; F557-V582 PolarHBondContact O-N 3.17Å; F557-V582 VanDerWaalsContact O-O 3.08Å
558	A	98.3	Very high	92.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138	170.3	0	0	0	0	0	111	I418 L422 I548 I549 K580 I581	I418-A558 HydrophobicContact CD1-CB 3.75Å; I418-A558 HydrophobicContact CG1-CB 4.19Å; L422-A558 HydrophobicContact CD1-CB 3.79Å; L422-A558 HydrophobicContact CD2-CB 3.96Å; L422-A558 HydrophobicContact CG-CB 4.21Å; I548-A558 WeakPolarHBondContact CA-O 3.36Å; I549-A558 HydrophobicContact CB-CB 4.42Å; I549-A558 PolarHBondContact N-O 2.93Å; I549-A558 PolarHBondContact O-N 3.4Å; A558-K580 VanDerWaalsContact CA-O 3.27Å; A558-K580 WeakPolarHBondContact CA-O 3.43Å; A558-I581 HydrophobicContact CB-CG1 4.4Å
559	E	98.3	Very high	91.4	Very high	35 Å²	35	59.4 Å²	59.4	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.7	177	-175.7	-173.7	148.7	0	0	108.2	K546 V547 F557 G579 K580	K546-E559 WeakPolarHBondContact CD-OE1 3.46Å; K546-E559 WeakPolarHBondContact CE-OE1 3.45Å; K546-E559 IonicContact NZ-OE1 3.24Å; K546-E559 PolarHBondContact NZ-OE1 2.79Å; V547-E559 WeakPolarHBondContact O-CA 3.32Å; F557-E559 HydrophobicContact CE1-CB 3.82Å; F557-E559 HydrophobicContact CZ-CB 4.19Å; E559-G579 CarbonylContact O-C 3.55Å; E559-G579 WeakPolarHBondContact O-CA 3.31Å; E559-K580 HydrophobicContact CB-CG 4.18Å; E559-K580 PolarHBondContact N-O 2.77Å; E559-K580 VanDerWaalsContact N-O 3.14Å; E559-K580 PolarHBondContact O-N 2.88Å; E559-K580 WeakPolarHBondContact OE2-CE 3.37Å; E559-K580 IonicContact OE2-NZ 3.68Å; E559-K580 PolarHBondContact OE2-NZ 2.8Å
560	L	98.1	Very high	90.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.9	172	-68.3	177.4	0	0	0	109.3	L422 Y425 L426 K546 V547 F562 I591	L422-L560 HydrophobicContact CD2-CD1 3.67Å; L422-L560 HydrophobicContact CD2-CD2 4.3Å; L422-L560 HydrophobicContact CD2-CG 3.89Å; Y425-L560 HydrophobicContact CD1-CD1 4.22Å; Y425-L560 HydrophobicContact CE1-CD1 4.49Å; L426-L560 HydrophobicContact CD2-CD1 4.19Å; L426-L560 HydrophobicContact CG-CD1 4.5Å; K546-L560 WeakPolarHBondContact CA-O 3.44Å; V547-L560 HydrophobicContact CB-CB 4.24Å; V547-L560 PolarHBondContact N-O 2.95Å; V547-L560 PolarHBondContact O-N 3.09Å; L560-F562 HydrophobicContact CB-CE2 4.36Å; L560-I591 HydrophobicContact CD2-CB 4.33Å; L560-I591 HydrophobicContact CD2-CD1 3.91Å; L560-I591 HydrophobicContact CD2-CG2 3.98Å
561	E	97.9	Very high	89.3	Confident	67 Å²	67	62.8 Å²	62.8	31%	0.313	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.5	171.8	-175.7	174.7	-106	0	0	110.2	K546 K563 I577 S578	K546-E561 WeakPolarHBondContact CE-OE1 3.5Å; K546-E561 HydrophobicContact CG-CB 4.33Å; K546-E561 HydrophobicContact CG-CG 4.26Å; K546-E561 IonicContact NZ-OE1 2.67Å; E561-K563 HydrophobicContact CG-CG 4.14Å; E561-K563 WeakPolarHBondContact OE2-CE 3.46Å; E561-I577 VanDerWaalsContact O-CA 3.27Å; E561-I577 WeakPolarHBondContact O-CA 3.1Å; E561-S578 PolarHBondContact N-O 3.41Å; E561-S578 PolarHBondContact O-N 2.79Å; E561-S578 VanDerWaalsContact O-N 3.14Å
562	F	97.1	Very high	88.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.7	168.7	-73.9	-105.7	0	0	0	108.6	Y425 F429 P527 L543 G544 G545 V547 L560 I577 W595	Y425-F562 HydrophobicContact CE1-CE2 4.33Å; Y425-F562 HydrophobicContact CE1-CZ 4.38Å; F429-F562 HydrophobicContact CD1-CE1 4.41Å; F429-F562 HydrophobicContact CD2-CE1 4.25Å; F429-F562 HydrophobicContact CD2-CZ 4.03Å; F429-F562 HydrophobicContact CE1-CE1 4.4Å; F429-F562 HydrophobicContact CE1-CZ 4.31Å; F429-F562 HydrophobicContact CE2-CE1 4.26Å; F429-F562 AromaticContact CE2-CZ 3.66Å; F429-F562 HydrophobicContact CE2-CZ 3.66Å; F429-F562 HydrophobicContact CG-CE1 4.32Å; F429-F562 HydrophobicContact CZ-CE1 4.32Å; F429-F562 AromaticContact CZ-CZ 3.8Å; F429-F562 HydrophobicContact CZ-CZ 3.8Å; P527-F562 HydrophobicContact CB-CB 4.43Å; P527-F562 HydrophobicContact CB-CD2 4Å; P527-F562 HydrophobicContact CB-CE2 4.4Å; P527-F562 HydrophobicContact CB-CG 4.07Å; P527-F562 HydrophobicContact CG-CD2 4.43Å; P527-F562 HydrophobicContact CG-CE2 4.36Å; P527-F562 HydrophobicContact CG-CZ 4.41Å; L543-F562 HydrophobicContact CB-CD1 3.84Å; L543-F562 HydrophobicContact CD1-CD1 4.3Å; L543-F562 HydrophobicContact CD1-CE1 4.2Å; G544-F562 WeakPolarHBondContact CA-O 3.48Å; G545-F562 PolarHBondContact N-O 3.33Å; G545-F562 VanDerWaalsContact N-O 3.11Å; G545-F562 PolarHBondContact O-N 3.27Å; V547-F562 HydrophobicContact CB-CE2 4.41Å; V547-F562 HydrophobicContact CG2-CD2 4Å; V547-F562 HydrophobicContact CG2-CE2 3.78Å; L560-F562 HydrophobicContact CB-CE2 4.36Å; F562-I577 HydrophobicContact CD1-CG2 3.97Å; F562-I577 HydrophobicContact CE1-CG2 4.17Å; F562-I577 HydrophobicContact CG-CG2 4.21Å; F562-W595 AromaticContact CD1-CD1 3.54Å; F562-W595 HydrophobicContact CD1-CG 4.14Å; F562-W595 AromaticContact CD1-NE1 3.87Å; F562-W595 HydrophobicContact CE1-CB 4.03Å; F562-W595 AromaticContact CE1-CD1 3.73Å; F562-W595 AromaticContact CE1-CG 3.85Å; F562-W595 HydrophobicContact CE1-CG 3.85Å
563	K	94.6	Very high	88.1	Confident	62 Å²	62	60.4 Å²	60.4	27%	0.27	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-97.8	122.6	-172	-64.3	179.4	-179.2	171.9	0	111.4	E561 Q576 S578	E561-K563 HydrophobicContact CG-CG 4.14Å; E561-K563 WeakPolarHBondContact OE2-CE 3.46Å; K563-Q576 HydrophobicContact CB-CB 4.42Å; K563-Q576 WeakPolarHBondContact CB-O 3.45Å; K563-Q576 PolarHBondContact N-O 2.8Å; K563-S578 WeakPolarHBondContact CE-OG 3.49Å; K563-S578 PolarHBondContact NZ-OG 3.37Å
564	L	91.6	Very high	87.7	Confident	49 Å²	49	55.6 Å²	55.6	26%	0.257	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-67.6	138.3	168.2	-60.6	-179	0	0	0	109.9	Y528 H530 E542 P566	Y528-L564 HydrophobicContact CE2-CD1 4.39Å; H530-L564 HydrophobicContact CB-CD2 3.87Å; E542-L564 HydrophobicContact CB-CD2 3.73Å; E542-L564 WeakPolarHBondContact OE2-CA 3.2Å; E542-L564 WeakPolarHBondContact OE2-CB 3.46Å; L564-P566 WeakPolarHBondContact O-CD 3.37Å
565	K	86.4	Confident	87.6	Confident	41 Å²	41	54.7 Å²	54.7	18%	0.178	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-57.9	121.3	178.8	-170.5	-174.5	-177.3	173.6	0	110.4	E348 K532 E542 G569 G570 V574	E348-K565 IonicContact OE1-NZ 2.65Å; E348-K565 PolarHBondContact OE1-NZ 3.43Å; E348-K565 IonicContact OE2-NZ 2.82Å; E348-K565 PolarHBondContact OE2-NZ 3.49Å; K532-K565 PolarHBondContact NZ-O 2.77Å; E542-K565 WeakPolarHBondContact OE1-CB 3.44Å; E542-K565 PolarHBondContact OE2-N 2.91Å; K565-G569 WeakPolarHBondContact CE-O 2.95Å; K565-G570 WeakPolarHBondContact CE-O 3.45Å; K565-V574 HydrophobicContact CD-CG2 3.84Å; K565-V574 HydrophobicContact CG-CG2 4.47Å
566	P	81.6	Confident	87.5	Confident	75 Å²	75	52.6 Å²	52.6	49%	0.487	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-62.3	153.4	175.4	-22.7	34.2	0	0	0	111.9	L564 L568 G569	L564-P566 WeakPolarHBondContact O-CD 3.37Å; P566-L568 PolarHBondContact O-N 2.86Å; P566-G569 PolarHBondContact O-N 2.81Å
567	F	72	Confident	87.6	Confident	188 Å²	188	52.5 Å²	52.5	83%	0.825	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.6	-179.1	-178.8	-100.1	0	0	0	113.6
568	L	71.4	Confident	87.6	Confident	164 Å²	164	51.5 Å²	51.5	86%	0.859	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	12.6	173.2	-56.8	178	0	0	0	112.3	P566	P566-L568 PolarHBondContact O-N 2.86Å
569	G	66.8	Low	87.6	Confident	16 Å²	16	52.3 Å²	52.3	17%	0.165	30%	0.296	C	S	.	.			trans	-79.3	131.4	-177.5	0	0	0	0	0	112.1	K565 P566	K565-G569 WeakPolarHBondContact CE-O 2.95Å; P566-G569 PolarHBondContact O-N 2.81Å
570	G	75.3	Confident	87.6	Confident	38 Å²	38	54 Å²	54	39%	0.392	30%	0.303	S	S	.	.			trans	-68.3	-177.4	174.1	0	0	0	0	0	113.1	K565 S572 S573	K565-G570 WeakPolarHBondContact CE-O 3.45Å; G570-S572 PolarHBondContact O-N 3.21Å; G570-S573 PolarHBondContact O-N 3.06Å
571	T	76.2	Confident	87.6	Confident	109 Å²	109	54 Å²	54	67%	0.669	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.9	172.9	47.9	0	0	0	0	112.8	S573 V574	T571-S573 PolarHBondContact O-N 2.78Å; T571-V574 WeakPolarHBondContact O-CB 3.17Å; T571-V574 WeakPolarHBondContact O-CG2 3.29Å; T571-V574 PolarHBondContact O-N 2.66Å
572	S	81.3	Confident	87.5	Confident	85 Å²	85	51.8 Å²	51.8	59%	0.594	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-72	-5.2	170.4	52.1	0	0	0	0	114.7	G570 H594	G570-S572 PolarHBondContact O-N 3.21Å; S572-H594 PolarHBondContact O-CE1 3.05Å
573	S	84.9	Confident	87.4	Confident	25 Å²	25	52.9 Å²	52.9	18%	0.175	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-103.8	7.1	172.7	-49	0	0	0	0	113.3	G570 T571	G570-S573 PolarHBondContact O-N 3.06Å; T571-S573 PolarHBondContact O-N 2.78Å
574	V	87.2	Confident	87.3	Confident	14 Å²	14	57.4 Å²	57.4	9%	0.085	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	131.8	177.8	175.5	0	0	0	0	109.6	E348 K565 T571 Q576 H594	E348-V574 HydrophobicContact CB-CG1 4.3Å; E348-V574 HydrophobicContact CB-CG2 4.34Å; E348-V574 VanDerWaalsContact OE2-CG2 3.31Å; E348-V574 WeakPolarHBondContact OE2-CG2 3.38Å; K565-V574 HydrophobicContact CD-CG2 3.84Å; K565-V574 HydrophobicContact CG-CG2 4.47Å; T571-V574 WeakPolarHBondContact O-CB 3.17Å; T571-V574 WeakPolarHBondContact O-CG2 3.29Å; T571-V574 PolarHBondContact O-N 2.66Å; V574-Q576 PolarHBondContact O-N 3.05Å; V574-Q576 VanDerWaalsContact O-N 3.09Å; V574-H594 PolarHBondContact O-CE1 2.86Å; V574-H594 PolarHBondContact O-ND1 3.37Å
575	N	90.7	Very high	87.2	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.9	175.1	-55	-25	0	0	0	115.1	Q351 K432 H594 W595 D596	Q351-N575 PolarHBondContact NE2-OD1 3.03Å; Q351-N575 PolarHBondContact OE1-ND2 3.46Å; Q351-N575 PolarHBondContact OE1-OD1 3.32Å; K432-N575 PolarHBondContact NZ-ND2 3.4Å; K432-N575 VanDerWaalsContact NZ-ND2 3.17Å; N575-H594 VanDerWaalsContact O-CA 3.3Å; N575-H594 WeakPolarHBondContact O-CA 3.31Å; N575-W595 HydrophobicContact CB-CD2 4.11Å; N575-W595 HydrophobicContact CB-CG 4.29Å; N575-W595 HydrophobicContact CB-CZ2 4.03Å; N575-W595 PolarHBondContact O-N 3.27Å; N575-W595 VanDerWaalsContact O-N 3.09Å; N575-W595 VanDerWaalsContact OD1-CZ2 3.32Å; N575-W595 WeakPolarHBondContact OD1-CZ2 3.48Å; N575-D596 WeakPolarHBondContact CB-OD1 3.34Å; N575-D596 PolarHBondContact ND2-OD1 2.75Å; N575-D596 VanDerWaalsContact ND2-OD1 3.11Å; N575-D596 PolarHBondContact ND2-OD2 3.18Å
576	Q	95.3	Very high	87.6	Confident	70 Å²	70	64.1 Å²	64.1	33%	0.327	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.1	-179.8	-166.5	-177.9	28.9	0	0	110.7	K563 V574 G593	K563-Q576 HydrophobicContact CB-CB 4.42Å; K563-Q576 WeakPolarHBondContact CB-O 3.45Å; K563-Q576 PolarHBondContact N-O 2.8Å; V574-Q576 PolarHBondContact O-N 3.05Å; V574-Q576 VanDerWaalsContact O-N 3.09Å; Q576-G593 CarbonylContact C-O 3.5Å; Q576-G593 WeakPolarHBondContact CA-O 3.43Å
577	I	97.4	Very high	88.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.6	166.5	67.7	178.1	0	0	0	110.9	L426 E561 F562 G593 W595 V599	L426-I577 HydrophobicContact CD2-CD1 3.64Å; E561-I577 VanDerWaalsContact O-CA 3.27Å; E561-I577 WeakPolarHBondContact O-CA 3.1Å; F562-I577 HydrophobicContact CD1-CG2 3.97Å; F562-I577 HydrophobicContact CE1-CG2 4.17Å; F562-I577 HydrophobicContact CG-CG2 4.21Å; I577-G593 PolarHBondContact N-O 2.88Å; I577-G593 PolarHBondContact O-N 3.45Å; I577-W595 HydrophobicContact CG2-CB 3.99Å; I577-W595 HydrophobicContact CG2-CG 4.24Å; I577-V599 HydrophobicContact CD1-CB 4.44Å; I577-V599 HydrophobicContact CD1-CG1 3.8Å; I577-V599 HydrophobicContact CD1-CG2 3.72Å; I577-V599 HydrophobicContact CG1-CG2 4.41Å
578	S	97.8	Very high	89.4	Confident	34 Å²	34	55.8 Å²	55.8	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153	157.3	62.9	0	0	0	0	110.8	E561 K563 I591	E561-S578 PolarHBondContact N-O 3.41Å; E561-S578 PolarHBondContact O-N 2.79Å; E561-S578 VanDerWaalsContact O-N 3.14Å; K563-S578 WeakPolarHBondContact CE-OG 3.49Å; K563-S578 PolarHBondContact NZ-OG 3.37Å; S578-I591 CarbonylContact C-O 3.59Å; S578-I591 WeakPolarHBondContact CA-O 3.07Å
579	G	97.8	Very high	90.6	Very high	17 Å²	17	48 Å²	48	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-169.1	-177.4	0	0	0	0	0	114.6	E559 T590 I591	E559-G579 CarbonylContact O-C 3.55Å; E559-G579 WeakPolarHBondContact O-CA 3.31Å; G579-T590 WeakPolarHBondContact O-CA 3.03Å; G579-I591 PolarHBondContact N-O 3.48Å; G579-I591 PolarHBondContact O-N 3.06Å
580	K	97.8	Very high	92.1	Very high	72 Å²	72	50 Å²	50	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.8	-177.9	64.8	-171.2	-178.3	-158.4	0	111.1	A558 E559 V582 L587 A589	A558-K580 VanDerWaalsContact CA-O 3.27Å; A558-K580 WeakPolarHBondContact CA-O 3.43Å; E559-K580 HydrophobicContact CB-CG 4.18Å; E559-K580 PolarHBondContact N-O 2.77Å; E559-K580 VanDerWaalsContact N-O 3.14Å; E559-K580 PolarHBondContact O-N 2.88Å; E559-K580 WeakPolarHBondContact OE2-CE 3.37Å; E559-K580 IonicContact OE2-NZ 3.68Å; E559-K580 PolarHBondContact OE2-NZ 2.8Å; K580-V582 HydrophobicContact CD-CG2 4.15Å; K580-V582 HydrophobicContact CG-CG2 4.23Å; K580-L587 HydrophobicContact CB-CD1 3.68Å; K580-A589 CarbonylContact C-O 3.57Å; K580-A589 VanDerWaalsContact CA-O 3.29Å; K580-A589 WeakPolarHBondContact CA-O 3.46Å
581	I	98.1	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	165.2	-52	-174.8	0	0	0	108.2	Y415 I418 L422 A558 L588 A589 I591 I601	Y415-I581 HydrophobicContact CD2-CG2 4.14Å; Y415-I581 HydrophobicContact CE2-CB 4.48Å; Y415-I581 HydrophobicContact CE2-CD1 4.07Å; Y415-I581 HydrophobicContact CE2-CG2 4.22Å; I418-I581 HydrophobicContact CG2-CD1 4.46Å; I418-I581 HydrophobicContact CG2-CG2 3.76Å; L422-I581 HydrophobicContact CD1-CD1 3.48Å; L422-I581 VanDerWaalsContact CD1-CD1 3.48Å; L422-I581 HydrophobicContact CD1-CG1 3.75Å; A558-I581 HydrophobicContact CB-CG1 4.4Å; I581-L588 PolarHBondContact O-N 3.39Å; I581-A589 HydrophobicContact CB-CB 4.4Å; I581-A589 PolarHBondContact N-O 2.71Å; I581-A589 PolarHBondContact O-N 3.26Å; I581-I591 HydrophobicContact CD1-CD1 4.42Å; I581-I591 HydrophobicContact CG1-CD1 4.04Å; I581-I601 HydrophobicContact CD1-CD1 3.56Å; I581-I601 HydrophobicContact CG1-CD1 4.35Å
582	V	96.8	Very high	94.2	Very high	21 Å²	21	46.2 Å²	46.2	13%	0.127	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.9	178.3	-177.2	0	0	0	0	108	F557 K580 E586 L587	F557-V582 HydrophobicContact CD1-CB 4.4Å; F557-V582 HydrophobicContact CD1-CG2 4.5Å; F557-V582 PolarHBondContact N-O 3.11Å; F557-V582 PolarHBondContact O-N 3.17Å; F557-V582 VanDerWaalsContact O-O 3.08Å; K580-V582 HydrophobicContact CD-CG2 4.15Å; K580-V582 HydrophobicContact CG-CG2 4.23Å; V582-E586 VanDerWaalsContact CA-O 3.32Å; V582-E586 WeakPolarHBondContact CA-O 3.35Å; V582-L587 HydrophobicContact CG2-CD1 4.35Å
583	I	94.8	Very high	94.9	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.138	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.9	170.7	-55.4	-175.6	0	0	0	106.9	Y415 C556 D585 E586 L588	Y415-I583 HydrophobicContact CD2-CD1 4.27Å; C556-I583 HydrophobicContact CB-CG1 4.3Å; C556-I583 VanDerWaalsContact SG-CD1 3.51Å; I583-D585 PolarHBondContact O-N 2.98Å; I583-E586 PolarHBondContact N-O 2.68Å; I583-E586 PolarHBondContact O-N 3.36Å; I583-L588 HydrophobicContact CB-CD1 3.95Å; I583-L588 HydrophobicContact CD1-CD1 3.55Å; I583-L588 HydrophobicContact CG1-CD1 3.7Å
584	E	91.3	Very high	95.4	Very high	156 Å²	156	43.2 Å²	43.2	73%	0.729	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	44.1	-178.6	-63.7	179.3	167	0	0	112.8	K555 E586	K555-E584 HydrophobicContact CB-CG 4.11Å; K555-E584 PolarHBondContact O-N 3.38Å; E584-E586 PolarHBondContact O-N 3.02Å
585	D	89.6	Confident	95.6	Very high	163 Å²	163	43 Å²	43	87%	0.872	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-2.3	-173.1	-63.6	-41.5	0	0	0	116.5	I583 L587	I583-D585 PolarHBondContact O-N 2.98Å; D585-L587 PolarHBondContact O-N 3.35Å
586	E	94.7	Very high	95.6	Very high	68 Å²	68	43 Å²	43	32%	0.318	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.1	168.1	-166.7	-173.9	150.1	0	0	110.7	V582 I583 E584 L588 R605	V582-E586 VanDerWaalsContact CA-O 3.32Å; V582-E586 WeakPolarHBondContact CA-O 3.35Å; I583-E586 PolarHBondContact N-O 2.68Å; I583-E586 PolarHBondContact O-N 3.36Å; E584-E586 PolarHBondContact O-N 3.02Å; E586-L588 HydrophobicContact CB-CD2 4.17Å; E586-L588 HydrophobicContact CG-CD2 3.87Å; E586-L588 PolarHBondContact O-N 3.01Å; E586-L588 VanDerWaalsContact O-N 3.14Å; E586-L588 WeakPolarHBondContact OE1-CD2 3.31Å; E586-R605 VanDerWaalsContact CD-NH2 3.26Å; E586-R605 IonicContact OE1-CZ 2.95Å; E586-R605 IonicContact OE1-NE 2.81Å; E586-R605 PolarHBondContact OE1-NE 3.31Å; E586-R605 IonicContact OE1-NH2 2.7Å; E586-R605 PolarHBondContact OE1-NH2 3.12Å; E586-R605 VanDerWaalsContact OE1-NH2 3.16Å; E586-R605 IonicContact OE2-CZ 3.42Å; E586-R605 IonicContact OE2-NH2 3.6Å; E586-R605 PolarHBondContact OE2-NH2 2.97Å
587	L	95.6	Very high	95.3	Very high	63 Å²	63	43.9 Å²	43.9	33%	0.33	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	112.3	162.6	174.6	67.2	0	0	0	109.3	K580 V582 D585 A589 T590 K604	K580-L587 HydrophobicContact CB-CD1 3.68Å; V582-L587 HydrophobicContact CG2-CD1 4.35Å; D585-L587 PolarHBondContact O-N 3.35Å; L587-A589 WeakPolarHBondContact CD1-O 3.33Å; L587-T590 HydrophobicContact CD1-CG2 4.44Å; L587-K604 WeakPolarHBondContact O-CD 3.37Å; L587-K604 PolarHBondContact O-NZ 3.48Å; L587-K604 VanDerWaalsContact O-NZ 3.15Å
588	L	95.8	Very high	95.2	Very high	26 Å²	26	48.2 Å²	48.2	14%	0.136	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-38.2	179.7	-62.3	-172.6	0	0	0	112.9	Y415 I581 I583 E586 K604	Y415-L588 HydrophobicContact CD2-CB 4.43Å; Y415-L588 HydrophobicContact CD2-CD1 3.81Å; Y415-L588 HydrophobicContact CE2-CB 4.2Å; Y415-L588 HydrophobicContact CE2-CD1 4.39Å; Y415-L588 HydrophobicContact CG-CD1 4.39Å; I581-L588 PolarHBondContact O-N 3.39Å; I583-L588 HydrophobicContact CB-CD1 3.95Å; I583-L588 HydrophobicContact CD1-CD1 3.55Å; I583-L588 HydrophobicContact CG1-CD1 3.7Å; E586-L588 HydrophobicContact CB-CD2 4.17Å; E586-L588 HydrophobicContact CG-CD2 3.87Å; E586-L588 PolarHBondContact O-N 3.01Å; E586-L588 VanDerWaalsContact O-N 3.14Å; E586-L588 WeakPolarHBondContact OE1-CD2 3.31Å; L588-K604 VanDerWaalsContact O-CB 3.25Å; L588-K604 WeakPolarHBondContact O-CB 3.36Å; L588-K604 PolarHBondContact O-N 2.95Å
589	A	97.2	Very high	95.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.3	-176.5	0	0	0	0	0	112.8	Y415 K580 I581 L587 I601 Q602	Y415-A589 HydrophobicContact CE2-CB 4.35Å; K580-A589 CarbonylContact C-O 3.57Å; K580-A589 VanDerWaalsContact CA-O 3.29Å; K580-A589 WeakPolarHBondContact CA-O 3.46Å; I581-A589 HydrophobicContact CB-CB 4.4Å; I581-A589 PolarHBondContact N-O 2.71Å; I581-A589 PolarHBondContact O-N 3.26Å; L587-A589 WeakPolarHBondContact CD1-O 3.33Å; A589-I601 HydrophobicContact CB-CD1 3.75Å; A589-I601 HydrophobicContact CB-CG1 3.74Å; A589-Q602 CarbonylContact C-O 3.56Å; A589-Q602 VanDerWaalsContact CA-O 3.26Å; A589-Q602 WeakPolarHBondContact CA-O 3.42Å; A589-Q602 WeakPolarHBondContact CB-O 3.42Å
590	T	97.8	Very high	95.2	Very high	58 Å²	58	48.2 Å²	48.2	36%	0.356	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.9	170.7	45	0	0	0	0	110.6	G579 L587 I601 Q602	G579-T590 WeakPolarHBondContact O-CA 3.03Å; L587-T590 HydrophobicContact CD1-CG2 4.44Å; T590-I601 CarbonylContact O-C 3.52Å; T590-I601 WeakPolarHBondContact O-CA 3.38Å; T590-Q602 PolarHBondContact N-O 2.88Å; T590-Q602 PolarHBondContact O-N 2.92Å
591	I	98.3	Very high	95.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.4	-176	-58.8	169.9	0	0	0	108.6	L422 L560 S578 G579 I581 V599 F600 I601 L612	L422-I591 HydrophobicContact CD1-CD1 3.88Å; L422-I591 HydrophobicContact CD2-CD1 4.48Å; L560-I591 HydrophobicContact CD2-CB 4.33Å; L560-I591 HydrophobicContact CD2-CD1 3.91Å; L560-I591 HydrophobicContact CD2-CG2 3.98Å; S578-I591 CarbonylContact C-O 3.59Å; S578-I591 WeakPolarHBondContact CA-O 3.07Å; G579-I591 PolarHBondContact N-O 3.48Å; G579-I591 PolarHBondContact O-N 3.06Å; I581-I591 HydrophobicContact CD1-CD1 4.42Å; I581-I591 HydrophobicContact CG1-CD1 4.04Å; I591-V599 HydrophobicContact CG2-CG1 3.6Å; I591-F600 WeakPolarHBondContact CA-O 3.46Å; I591-F600 WeakPolarHBondContact CG2-O 3.42Å; I591-I601 HydrophobicContact CG1-CB 4.25Å; I591-I601 HydrophobicContact CG1-CD1 4.16Å; I591-I601 HydrophobicContact CG1-CG1 3.97Å; I591-L612 HydrophobicContact CD1-CD2 4.08Å; I591-L612 HydrophobicContact CG1-CD2 4.32Å; I591-L612 HydrophobicContact CG2-CD2 4.01Å
592	D	97.4	Very high	95.1	Very high	64 Å²	64	48.7 Å²	48.7	34%	0.342	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.9	176.5	76.7	-85.5	0	0	0	112.1	V599 F600	D592-V599 CarbonylContact O-C 3.6Å; D592-V599 WeakPolarHBondContact O-CA 3.49Å; D592-V599 WeakPolarHBondContact O-CG1 3.28Å; D592-F600 PolarHBondContact N-O 2.92Å; D592-F600 PolarHBondContact O-N 3.08Å
593	G	96.4	Very high	95	Very high	6 Å²	6	49.9 Å²	49.9	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.2	-146.1	176.7	0	0	0	0	0	113.1	Q576 I577 E598	Q576-G593 CarbonylContact C-O 3.5Å; Q576-G593 WeakPolarHBondContact CA-O 3.43Å; I577-G593 PolarHBondContact N-O 2.88Å; I577-G593 PolarHBondContact O-N 3.45Å; G593-E598 WeakPolarHBondContact CA-O 3.1Å
594	H	95.1	Very high	94.8	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.19	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.5	-171.9	-61.8	-92.6	0	0	0	112.3	S572 V574 N575 D596 K597 E598 V599	S572-H594 PolarHBondContact O-CE1 3.05Å; V574-H594 PolarHBondContact O-CE1 2.86Å; V574-H594 PolarHBondContact O-ND1 3.37Å; N575-H594 VanDerWaalsContact O-CA 3.3Å; N575-H594 WeakPolarHBondContact O-CA 3.31Å; H594-D596 VanDerWaalsContact C-N 3.25Å; H594-D596 PolarHBondContact O-N 2.67Å; H594-D596 VanDerWaalsContact O-N 3.17Å; H594-K597 HydrophobicContact CB-CB 4.11Å; H594-K597 HydrophobicContact CB-CG 4.48Å; H594-K597 CarbonylContact O-C 3.5Å; H594-K597 PolarHBondContact O-N 3.2Å; H594-E598 PolarHBondContact N-O 3.25Å; H594-V599 WeakPolarHBondContact O-CG2 3.48Å
595	W	92.8	Very high	94.5	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.038	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.6	-173	60.3	-105.1	0	0	0	115	F429 K432 L543 F562 N575 I577	F429-W595 HydrophobicContact CB-CD2 4.29Å; F429-W595 HydrophobicContact CB-CE3 3.57Å; F429-W595 HydrophobicContact CB-CZ3 4.05Å; F429-W595 VanDerWaalsContact O-CZ3 3.3Å; F429-W595 WeakPolarHBondContact O-CZ3 3.48Å; K432-W595 HydrophobicContact CD-CH2 4.31Å; K432-W595 HydrophobicContact CD-CZ3 4.4Å; K432-W595 VanDerWaalsContact CE-CZ3 3.5Å; K432-W595 HydrophobicContact CG-CZ3 4.41Å; L543-W595 HydrophobicContact CB-CZ2 4.16Å; L543-W595 HydrophobicContact CD1-CD2 4.21Å; L543-W595 HydrophobicContact CD1-CE3 4.37Å; L543-W595 HydrophobicContact CD1-CH2 3.87Å; L543-W595 HydrophobicContact CD1-CZ2 3.7Å; L543-W595 HydrophobicContact CD1-CZ3 4.2Å; L543-W595 HydrophobicContact CG-CH2 4.21Å; L543-W595 HydrophobicContact CG-CZ2 3.8Å; F562-W595 AromaticContact CD1-CD1 3.54Å; F562-W595 HydrophobicContact CD1-CG 4.14Å; F562-W595 AromaticContact CD1-NE1 3.87Å; F562-W595 HydrophobicContact CE1-CB 4.03Å; F562-W595 AromaticContact CE1-CD1 3.73Å; F562-W595 AromaticContact CE1-CG 3.85Å; F562-W595 HydrophobicContact CE1-CG 3.85Å; N575-W595 HydrophobicContact CB-CD2 4.11Å; N575-W595 HydrophobicContact CB-CG 4.29Å; N575-W595 HydrophobicContact CB-CZ2 4.03Å; N575-W595 PolarHBondContact O-N 3.27Å; N575-W595 VanDerWaalsContact O-N 3.09Å; N575-W595 VanDerWaalsContact OD1-CZ2 3.32Å; N575-W595 WeakPolarHBondContact OD1-CZ2 3.48Å; I577-W595 HydrophobicContact CG2-CB 3.99Å; I577-W595 HydrophobicContact CG2-CG 4.24Å
596	D	89.3	Confident	94.1	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	5.6	172.6	73.2	-34.3	0	0	0	114.3	G347 K432 N575 H594	G347-D596 PolarHBondContact N-OD2 3.02Å; G347-D596 VanDerWaalsContact N-OD2 3.14Å; K432-D596 IonicContact NZ-OD2 2.78Å; K432-D596 PolarHBondContact NZ-OD2 2.99Å; N575-D596 WeakPolarHBondContact CB-OD1 3.34Å; N575-D596 PolarHBondContact ND2-OD1 2.75Å; N575-D596 VanDerWaalsContact ND2-OD1 3.11Å; N575-D596 PolarHBondContact ND2-OD2 3.18Å; H594-D596 VanDerWaalsContact C-N 3.25Å; H594-D596 PolarHBondContact O-N 2.67Å; H594-D596 VanDerWaalsContact O-N 3.17Å
597	K	90.5	Very high	93.5	Very high	88 Å²	88	51.2 Å²	51.2	38%	0.383	25%	0.252	S	S	.	.	S	Bend	trans	-141.3	-134.9	177.2	-51.9	175.8	-174.8	172.5	0	109.2	V346 H594 P615	V346-K597 HydrophobicContact CG1-CD 4.37Å; V346-K597 HydrophobicContact CG1-CG 3.77Å; H594-K597 HydrophobicContact CB-CB 4.11Å; H594-K597 HydrophobicContact CB-CG 4.48Å; H594-K597 CarbonylContact O-C 3.5Å; H594-K597 PolarHBondContact O-N 3.2Å; K597-P615 WeakPolarHBondContact O-CD 3.27Å
598	E	94.8	Very high	93	Very high	90 Å²	90	54.8 Å²	54.8	42%	0.421	27%	0.267	S	S	.	.			trans	-85.7	133.2	-174.4	-38.4	-163.1	145	0	0	110.2	G593 H594 F600 W613 N614	G593-E598 WeakPolarHBondContact CA-O 3.1Å; H594-E598 PolarHBondContact N-O 3.25Å; E598-F600 HydrophobicContact CB-CE2 4.08Å; E598-F600 HydrophobicContact CB-CZ 3.82Å; E598-W613 WeakPolarHBondContact CA-O 3.43Å; E598-N614 VanDerWaalsContact CD-ND2 3.34Å; E598-N614 PolarHBondContact OE1-ND2 2.93Å
599	V	97.6	Very high	92.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	172.5	178.6	0	0	0	0	107.2	L426 I577 I591 D592 H594 L612 W613	L426-V599 HydrophobicContact CD1-CB 4.3Å; L426-V599 HydrophobicContact CD1-CG1 3.93Å; L426-V599 HydrophobicContact CD1-CG2 4.33Å; I577-V599 HydrophobicContact CD1-CB 4.44Å; I577-V599 HydrophobicContact CD1-CG1 3.8Å; I577-V599 HydrophobicContact CD1-CG2 3.72Å; I577-V599 HydrophobicContact CG1-CG2 4.41Å; I591-V599 HydrophobicContact CG2-CG1 3.6Å; D592-V599 CarbonylContact O-C 3.6Å; D592-V599 WeakPolarHBondContact O-CA 3.49Å; D592-V599 WeakPolarHBondContact O-CG1 3.28Å; H594-V599 WeakPolarHBondContact O-CG2 3.48Å; V599-L612 HydrophobicContact CG1-CB 4.28Å; V599-L612 HydrophobicContact CG1-CD2 4.12Å; V599-L612 PolarHBondContact O-N 2.76Å; V599-W613 HydrophobicContact CB-CB 4.19Å; V599-W613 PolarHBondContact N-O 3.16Å; V599-W613 PolarHBondContact O-N 2.84Å; V599-W613 VanDerWaalsContact O-N 3.12Å
600	F	97.8	Very high	92.7	Very high	51 Å²	51	62 Å²	62	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	152.8	177.8	-55.7	-74.9	0	0	0	110.4	I591 D592 E598 Q609 E610	I591-F600 WeakPolarHBondContact CA-O 3.46Å; I591-F600 WeakPolarHBondContact CG2-O 3.42Å; D592-F600 PolarHBondContact N-O 2.92Å; D592-F600 PolarHBondContact O-N 3.08Å; E598-F600 HydrophobicContact CB-CE2 4.08Å; E598-F600 HydrophobicContact CB-CZ 3.82Å; F600-Q609 HydrophobicContact CB-CG 3.92Å; F600-Q609 HydrophobicContact CD1-CG 4.43Å; F600-Q609 HydrophobicContact CG-CG 4.37Å; F600-E610 CarbonylContact C-O 3.54Å; F600-E610 VanDerWaalsContact CA-O 3.28Å; F600-E610 WeakPolarHBondContact CA-O 3.21Å
601	I	97.4	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.5	164.5	-176.5	173.8	0	0	0	107.6	I581 A589 T590 I591 Q609 E610 L612	I581-I601 HydrophobicContact CD1-CD1 3.56Å; I581-I601 HydrophobicContact CG1-CD1 4.35Å; A589-I601 HydrophobicContact CB-CD1 3.75Å; A589-I601 HydrophobicContact CB-CG1 3.74Å; T590-I601 CarbonylContact O-C 3.52Å; T590-I601 WeakPolarHBondContact O-CA 3.38Å; I591-I601 HydrophobicContact CG1-CB 4.25Å; I591-I601 HydrophobicContact CG1-CD1 4.16Å; I591-I601 HydrophobicContact CG1-CG1 3.97Å; I601-Q609 WeakPolarHBondContact O-CA 3.33Å; I601-E610 HydrophobicContact CG2-CG 3.45Å; I601-E610 VanDerWaalsContact CG2-CG 3.45Å; I601-E610 WeakPolarHBondContact CG2-OE1 3.15Å; I601-E610 PolarHBondContact N-O 2.86Å; I601-E610 WeakPolarHBondContact O-CG 3.46Å; I601-E610 PolarHBondContact O-N 3.37Å; I601-L612 HydrophobicContact CB-CB 4.1Å; I601-L612 HydrophobicContact CB-CD2 4.48Å; I601-L612 HydrophobicContact CG2-CB 3.84Å; I601-L612 HydrophobicContact CG2-CD1 4.26Å
602	Q	96.8	Very high	92.5	Very high	83 Å²	83	63 Å²	63	39%	0.388	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.1	177.3	-173.3	-179.8	22.7	0	0	108.8	A589 T590 Q608	A589-Q602 CarbonylContact C-O 3.56Å; A589-Q602 VanDerWaalsContact CA-O 3.26Å; A589-Q602 WeakPolarHBondContact CA-O 3.42Å; A589-Q602 WeakPolarHBondContact CB-O 3.42Å; T590-Q602 PolarHBondContact N-O 2.88Å; T590-Q602 PolarHBondContact O-N 2.92Å; Q602-Q608 WeakPolarHBondContact CA-O 3.46Å
603	E	94.3	Very high	92.5	Very high	46 Å²	46	60.2 Å²	60.2	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.3	-179	-51.4	-165.5	135	0	0	111.2	Y415 R605 S606 S607 Q608	Y415-E603 WeakPolarHBondContact CE1-OE1 3.47Å; Y415-E603 WeakPolarHBondContact OH-CG 3.31Å; Y415-E603 PolarHBondContact OH-OE1 2.73Å; E603-R605 VanDerWaalsContact C-N 3.32Å; E603-R605 PolarHBondContact O-N 3.49Å; E603-S606 WeakPolarHBondContact CB-OG 3.49Å; E603-S606 PolarHBondContact OE2-OG 3.44Å; E603-S607 WeakPolarHBondContact O-CA 3.4Å; E603-S607 PolarHBondContact O-N 2.7Å; E603-Q608 PolarHBondContact N-O 2.83Å; E603-Q608 VanDerWaalsContact N-O 3.07Å
604	K	90.6	Very high	92.4	Very high	122 Å²	122	61.8 Å²	61.8	53%	0.53	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.8	-177.3	-176	-168.8	173	-160.6	0	113.2	L587 L588	L587-K604 WeakPolarHBondContact O-CD 3.37Å; L587-K604 PolarHBondContact O-NZ 3.48Å; L587-K604 VanDerWaalsContact O-NZ 3.15Å; L588-K604 VanDerWaalsContact O-CB 3.25Å; L588-K604 WeakPolarHBondContact O-CB 3.36Å; L588-K604 PolarHBondContact O-N 2.95Å
605	R	84.7	Confident	92.3	Very high	185 Å²	185	60 Å²	60	70%	0.698	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-38.2	-175.9	-67.3	-176.5	178	-172.9	-0.2	112.9	E586 E603	E586-R605 VanDerWaalsContact CD-NH2 3.26Å; E586-R605 IonicContact OE1-CZ 2.95Å; E586-R605 IonicContact OE1-NE 2.81Å; E586-R605 PolarHBondContact OE1-NE 3.31Å; E586-R605 IonicContact OE1-NH2 2.7Å; E586-R605 PolarHBondContact OE1-NH2 3.12Å; E586-R605 VanDerWaalsContact OE1-NH2 3.16Å; E586-R605 IonicContact OE2-CZ 3.42Å; E586-R605 IonicContact OE2-NH2 3.6Å; E586-R605 PolarHBondContact OE2-NH2 2.97Å; E603-R605 VanDerWaalsContact C-N 3.32Å; E603-R605 PolarHBondContact O-N 3.49Å
606	S	82.2	Confident	92.3	Very high	48 Å²	48	62 Å²	62	34%	0.336	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-17.1	177.8	64.5	0	0	0	0	113.3	E603 Q608	E603-S606 WeakPolarHBondContact CB-OG 3.49Å; E603-S606 PolarHBondContact OE2-OG 3.44Å; S606-Q608 PolarHBondContact O-N 3.49Å; S606-Q608 VanDerWaalsContact O-N 3.11Å; S606-Q608 PolarHBondContact OG-N 3.16Å
607	S	80.6	Confident	92.3	Very high	87 Å²	87	70.9 Å²	70.9	61%	0.608	34%	0.342	S	S	*	.			trans	57.9	7.8	-168	-55.7	0	0	0	0	115	E603	E603-S607 WeakPolarHBondContact O-CA 3.4Å; E603-S607 PolarHBondContact O-N 2.7Å
608	Q	85.1	Confident	92.3	Very high	138 Å²	138	71.9 Å²	71.9	65%	0.645	35%	0.348	S	S	*	.			trans	-77.3	143.3	178.4	-64.9	-175.9	-7.3	0	0	110.4	Q602 E603 S606	Q602-Q608 WeakPolarHBondContact CA-O 3.46Å; E603-Q608 PolarHBondContact N-O 2.83Å; E603-Q608 VanDerWaalsContact N-O 3.07Å; S606-Q608 PolarHBondContact O-N 3.49Å; S606-Q608 VanDerWaalsContact O-N 3.11Å; S606-Q608 PolarHBondContact OG-N 3.16Å
609	Q	92.4	Very high	92.1	Very high	112 Å²	112	69.3 Å²	69.3	52%	0.523	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.8	170.1	-171.5	-178.7	30.1	0	0	108.3	F600 I601	F600-Q609 HydrophobicContact CB-CG 3.92Å; F600-Q609 HydrophobicContact CD1-CG 4.43Å; F600-Q609 HydrophobicContact CG-CG 4.37Å; I601-Q609 WeakPolarHBondContact O-CA 3.33Å
610	E	94.9	Very high	91.8	Very high	66 Å²	66	72.7 Å²	72.7	31%	0.308	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.6	-178.2	55	167.3	163.7	0	0	110.2	K419 F600 I601 L612	K419-E610 VanDerWaalsContact CE-OE1 3.31Å; K419-E610 WeakPolarHBondContact CE-OE1 3.46Å; K419-E610 IonicContact NZ-OE1 3.09Å; K419-E610 PolarHBondContact NZ-OE1 3.04Å; K419-E610 IonicContact NZ-OE2 3.32Å; K419-E610 PolarHBondContact NZ-OE2 2.64Å; F600-E610 CarbonylContact C-O 3.54Å; F600-E610 VanDerWaalsContact CA-O 3.28Å; F600-E610 WeakPolarHBondContact CA-O 3.21Å; I601-E610 HydrophobicContact CG2-CG 3.45Å; I601-E610 VanDerWaalsContact CG2-CG 3.45Å; I601-E610 WeakPolarHBondContact CG2-OE1 3.15Å; I601-E610 PolarHBondContact N-O 2.86Å; I601-E610 WeakPolarHBondContact O-CG 3.46Å; I601-E610 PolarHBondContact O-N 3.37Å; E610-L612 PolarHBondContact O-N 2.69Å
611	T	96.4	Very high	91.3	Very high	78 Å²	78	74.6 Å²	74.6	48%	0.479	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.8	178.2	-55.9	0	0	0	0	110.2	N614	T611-N614 HydrophobicContact CG2-CB 3.83Å
612	L	96.6	Very high	91	Very high	4 Å²	4	82.7 Å²	82.7	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-45.4	173.6	-178.5	63.1	0	0	0	111.2	K419 L422 R423 L426 I591 V599 I601 E610	K419-L612 HydrophobicContact CG-CD1 3.85Å; L422-L612 HydrophobicContact CB-CD2 4.47Å; R423-L612 HydrophobicContact CB-CD1 4.35Å; R423-L612 WeakPolarHBondContact CD-O 3.46Å; R423-L612 VanDerWaalsContact CG-O 3.29Å; R423-L612 WeakPolarHBondContact CG-O 3.43Å; L426-L612 HydrophobicContact CD1-CD2 3.72Å; L426-L612 HydrophobicContact CD1-CG 4.2Å; I591-L612 HydrophobicContact CD1-CD2 4.08Å; I591-L612 HydrophobicContact CG1-CD2 4.32Å; I591-L612 HydrophobicContact CG2-CD2 4.01Å; V599-L612 HydrophobicContact CG1-CB 4.28Å; V599-L612 HydrophobicContact CG1-CD2 4.12Å; V599-L612 PolarHBondContact O-N 2.76Å; I601-L612 HydrophobicContact CB-CB 4.1Å; I601-L612 HydrophobicContact CB-CD2 4.48Å; I601-L612 HydrophobicContact CG2-CB 3.84Å; I601-L612 HydrophobicContact CG2-CD1 4.26Å; E610-L612 PolarHBondContact O-N 2.69Å
613	W	96.3	Very high	90.7	Very high	5 Å²	5	81 Å²	81	2%	0.019	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	141.2	-179.2	179.1	-112.8	0	0	0	111.8	L404 R423 L426 S427 Y430 E598 V599 P615 I619	L404-W613 HydrophobicContact CD1-CZ3 3.93Å; R423-W613 HydrophobicContact CG-CE3 3.85Å; R423-W613 HydrophobicContact CG-CZ3 4.47Å; L426-W613 HydrophobicContact CB-CB 4.17Å; L426-W613 HydrophobicContact CB-CG 3.98Å; L426-W613 HydrophobicContact CD1-CB 4.07Å; S427-W613 VanDerWaalsContact CA-CZ2 3.48Å; Y430-W613 AromaticContact CD1-CZ2 3.76Å; Y430-W613 HydrophobicContact CD1-CZ2 3.76Å; Y430-W613 HydrophobicContact CE1-CH2 4.49Å; Y430-W613 AromaticContact CE1-CZ2 3.86Å; Y430-W613 HydrophobicContact CE1-CZ2 3.86Å; E598-W613 WeakPolarHBondContact CA-O 3.43Å; V599-W613 HydrophobicContact CB-CB 4.19Å; V599-W613 PolarHBondContact N-O 3.16Å; V599-W613 PolarHBondContact O-N 2.84Å; V599-W613 VanDerWaalsContact O-N 3.12Å; W613-P615 HydrophobicContact CZ2-CB 4.03Å; W613-I619 HydrophobicContact CH2-CG2 3.39Å; W613-I619 HydrophobicContact CZ2-CG2 4.05Å; W613-I619 HydrophobicContact CZ3-CG2 3.97Å
614	N	94.9	Very high	90.7	Very high	39 Å²	39	79.3 Å²	79.3	21%	0.209	38%	0.382	C	S	.	.			trans	-154.1	113.5	170.6	-173.8	-12.6	0	0	0	108.8	E598 T611 T616	E598-N614 VanDerWaalsContact CD-ND2 3.34Å; E598-N614 PolarHBondContact OE1-ND2 2.93Å; T611-N614 HydrophobicContact CG2-CB 3.83Å; N614-T616 HydrophobicContact CB-CG2 4.1Å; N614-T616 PolarHBondContact O-N 3.34Å
615	P	92.1	Very high	90.9	Very high	4 Å²	4	78.4 Å²	78.4	3%	0.026	38%	0.378	C	S	.	.			trans	-79.6	65.5	-179.8	34.1	-33.8	0	0	0	110.1	Y430 K597 W613 R620	Y430-P615 HydrophobicContact CD1-CB 3.83Å; Y430-P615 HydrophobicContact CD2-CB 3.93Å; Y430-P615 HydrophobicContact CE1-CB 4.41Å; Y430-P615 HydrophobicContact CG-CB 3.56Å; Y430-P615 HydrophobicContact CG-CG 4.23Å; K597-P615 WeakPolarHBondContact O-CD 3.27Å; W613-P615 HydrophobicContact CZ2-CB 4.03Å; P615-R620 PolarHBondContact O-NE 3.12Å; P615-R620 PolarHBondContact O-NH2 3.39Å
616	T	92.4	Very high	91.4	Very high	51 Å²	51	69.9 Å²	69.9	31%	0.313	35%	0.346	S	S	.	.			trans	-64.1	168.2	177.4	72.8	0	0	0	0	111.6	N614 E618 I619 R620	N614-T616 HydrophobicContact CB-CG2 4.1Å; N614-T616 PolarHBondContact O-N 3.34Å; T616-E618 PolarHBondContact O-N 3.36Å; T616-E618 PolarHBondContact OG1-N 3.05Å; T616-I619 PolarHBondContact O-N 3.09Å; T616-I619 PolarHBondContact OG1-N 3.15Å; T616-R620 WeakPolarHBondContact O-CB 3.4Å; T616-R620 VanDerWaalsContact O-CG 3.25Å; T616-R620 WeakPolarHBondContact O-CG 3.25Å; T616-R620 PolarHBondContact O-N 2.85Å
617	K	89.7	Confident	92	Very high	192 Å²	192	69.3 Å²	69.3	84%	0.835	34%	0.338	S	S	*	.	H	α-helix	trans	-56.4	-35.5	174.1	-70.4	-175.7	178	-179.7	0	112.5	R620 S621	K617-R620 PolarHBondContact O-N 2.78Å; K617-S621 PolarHBondContact O-N 3.37Å; K617-S621 PolarHBondContact O-OG 2.98Å
618	E	90.9	Very high	92.7	Very high	108 Å²	108	65.5 Å²	65.5	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-72.1	-45.8	178.8	178.7	177.5	-162.9	0	0	112.5	T616 R620 S621 R622	T616-E618 PolarHBondContact O-N 3.36Å; T616-E618 PolarHBondContact OG1-N 3.05Å; E618-R620 PolarHBondContact O-N 3.47Å; E618-S621 WeakPolarHBondContact CA-OG 3.43Å; E618-S621 PolarHBondContact O-N 2.63Å; E618-S621 VanDerWaalsContact O-N 3.09Å; E618-S621 PolarHBondContact O-OG 3.27Å; E618-R622 HydrophobicContact CG-CG 4.44Å; E618-R622 WeakPolarHBondContact O-CG 3.39Å; E618-R622 PolarHBondContact O-N 3.22Å; E618-R622 IonicContact OE1-CZ 3.42Å; E618-R622 IonicContact OE1-NE 2.81Å; E618-R622 PolarHBondContact OE1-NE 3.23Å; E618-R622 IonicContact OE1-NH2 2.68Å; E618-R622 PolarHBondContact OE1-NH2 2.95Å
619	I	90.7	Very high	93.1	Very high	36 Å²	36	59 Å²	59	19%	0.185	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-40.8	173.3	-66.2	-62.5	0	0	0	109.8	H401 W613 T616 S621 R622 R623	H401-I619 PolarHBondContact CE1-O 2.96Å; W613-I619 HydrophobicContact CH2-CG2 3.39Å; W613-I619 HydrophobicContact CZ2-CG2 4.05Å; W613-I619 HydrophobicContact CZ3-CG2 3.97Å; T616-I619 PolarHBondContact O-N 3.09Å; T616-I619 PolarHBondContact OG1-N 3.15Å; I619-S621 VanDerWaalsContact C-N 3.32Å; I619-S621 PolarHBondContact O-N 3.36Å; I619-R622 PolarHBondContact O-N 2.98Å; I619-R623 PolarHBondContact O-N 3.4Å
620	R	90.1	Very high	93.1	Very high	72 Å²	72	57 Å²	57	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-28.8	175.5	-68	177.8	-159.3	-139.4	-1.6	114.2	Y430 P615 T616 K617 E618 R623	Y430-R620 HydrophobicContact CD2-CG 4.39Å; Y430-R620 HydrophobicContact CE2-CG 3.7Å; P615-R620 PolarHBondContact O-NE 3.12Å; P615-R620 PolarHBondContact O-NH2 3.39Å; T616-R620 WeakPolarHBondContact O-CB 3.4Å; T616-R620 VanDerWaalsContact O-CG 3.25Å; T616-R620 WeakPolarHBondContact O-CG 3.25Å; T616-R620 PolarHBondContact O-N 2.85Å; K617-R620 PolarHBondContact O-N 2.78Å; E618-R620 PolarHBondContact O-N 3.47Å; R620-R623 WeakPolarHBondContact O-CB 3.16Å
621	S	88.7	Confident	92.9	Very high	91 Å²	91	57.7 Å²	57.7	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-86.6	-28.2	177.1	61.1	0	0	0	0	113.7	K617 E618 I619 R623	K617-S621 PolarHBondContact O-N 3.37Å; K617-S621 PolarHBondContact O-OG 2.98Å; E618-S621 WeakPolarHBondContact CA-OG 3.43Å; E618-S621 PolarHBondContact O-N 2.63Å; E618-S621 VanDerWaalsContact O-N 3.09Å; E618-S621 PolarHBondContact O-OG 3.27Å; I619-S621 VanDerWaalsContact C-N 3.32Å; I619-S621 PolarHBondContact O-N 3.36Å; S621-R623 PolarHBondContact O-N 2.67Å
622	R	90.1	Very high	92.6	Very high	170 Å²	170	59.4 Å²	59.4	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-71.6	-16.3	172.8	-70.3	173.1	179.3	-132.7	7.4	113.3	E618 I619 L624	E618-R622 HydrophobicContact CG-CG 4.44Å; E618-R622 WeakPolarHBondContact O-CG 3.39Å; E618-R622 PolarHBondContact O-N 3.22Å; E618-R622 IonicContact OE1-CZ 3.42Å; E618-R622 IonicContact OE1-NE 2.81Å; E618-R622 PolarHBondContact OE1-NE 3.23Å; E618-R622 IonicContact OE1-NH2 2.68Å; E618-R622 PolarHBondContact OE1-NH2 2.95Å; I619-R622 PolarHBondContact O-N 2.98Å; R622-L624 PolarHBondContact O-N 2.97Å
623	R	91.9	Very high	92.4	Very high	48 Å²	48	63.3 Å²	63.3	18%	0.181	30%	0.301	C	S	.	.			trans	-45.6	128.1	178.5	-169.4	-171.5	69.8	-169.8	-2.2	112.4	Y400 I619 R620 S621	Y400-R623 HydrophobicContact CD1-CG 3.79Å; Y400-R623 HydrophobicContact CG-CG 4.08Å; Y400-R623 WeakPolarHBondContact O-CG 3.34Å; I619-R623 PolarHBondContact O-N 3.4Å; R620-R623 WeakPolarHBondContact O-CB 3.16Å; S621-R623 PolarHBondContact O-N 2.67Å
624	L	94.4	Very high	92.3	Very high	9 Å²	9	63.4 Å²	63.4	5%	0.047	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-58.3	150.4	179.5	-58.1	176.9	0	0	0	112	Y400 A402 W452 H454 R622	Y400-L624 WeakPolarHBondContact CD1-O 3.4Å; Y400-L624 PolarHBondContact O-N 2.79Å; A402-L624 HydrophobicContact CB-CD1 3.98Å; W452-L624 HydrophobicContact CB-CB 4Å; W452-L624 HydrophobicContact CB-CD1 4.08Å; W452-L624 HydrophobicContact CG-CB 4.09Å; H454-L624 WeakPolarHBondContact NE2-CD1 3.4Å; R622-L624 PolarHBondContact O-N 2.97Å
625	K	93.6	Very high	92.3	Very high	104 Å²	104	63.2 Å²	63.2	45%	0.452	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-86.7	118.4	179.5	-57.3	-48	-162.5	104	0	110.3	E337 W452 Q627	E337-K625 HydrophobicContact CG-CB 4.1Å; E337-K625 VanDerWaalsContact OE1-CD 3.3Å; E337-K625 WeakPolarHBondContact OE1-CD 3.44Å; E337-K625 WeakPolarHBondContact OE1-CE 3.39Å; E337-K625 IonicContact OE1-NZ 2.72Å; E337-K625 PolarHBondContact OE1-NZ 3.41Å; W452-K625 VanDerWaalsContact CD1-C 3.46Å; K625-Q627 PolarHBondContact O-N 3.24Å
626	R	94.8	Very high	92.5	Very high	6 Å²	6	69.7 Å²	69.7	2%	0.023	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.9	173.3	-172.6	168.8	79.3	164.5	8.4	108.6	Q338 E341 D393 S396 Y400 C450 W452 V628	Q338-R626 PolarHBondContact N-O 3.25Å; E341-R626 IonicContact OE1-NH2 2.74Å; D393-R626 IonicContact OD1-CZ 2.64Å; D393-R626 IonicContact OD1-NH1 3.85Å; D393-R626 PolarHBondContact OD1-NH1 3.32Å; D393-R626 IonicContact OD1-NH2 3.33Å; D393-R626 PolarHBondContact OD1-NH2 3.09Å; D393-R626 IonicContact OD2-NH2 3.44Å; S396-R626 PolarHBondContact OG-NH1 3.16Å; Y400-R626 HydrophobicContact CE1-CB 3.69Å; Y400-R626 PolarHBondContact OH-NE 3.23Å; C450-R626 HydrophobicContact CB-CG 4.07Å; W452-R626 HydrophobicContact CZ2-CB 4.36Å; W452-R626 HydrophobicContact CZ2-CG 3.97Å; R626-V628 HydrophobicContact CG-CG1 4.41Å
627	Q	95.6	Very high	92.7	Very high	35 Å²	35	71.8 Å²	71.8	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.6	172.2	-49.2	-173.7	-36.7	0	0	109.5	V336 E337 C450 C451 K625	V336-Q627 CarbonylContact O-C 3.49Å; V336-Q627 WeakPolarHBondContact O-CA 3.44Å; V336-Q627 WeakPolarHBondContact O-CB 3.48Å; E337-Q627 HydrophobicContact CB-CG 4.47Å; C450-Q627 CarbonylContact C-O 3.48Å; C450-Q627 VanDerWaalsContact CA-O 3.25Å; C450-Q627 WeakPolarHBondContact CA-O 3.33Å; C450-Q627 VanDerWaalsContact CB-O 3.24Å; C450-Q627 WeakPolarHBondContact CB-O 3.17Å; C451-Q627 PolarHBondContact N-O 3.33Å; C451-Q627 PolarHBondContact O-N 2.91Å; K625-Q627 PolarHBondContact O-N 3.24Å
628	V	95.1	Very high	93.1	Very high	8 Å²	8	63.2 Å²	63.2	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.3	-177.7	-63.5	0	0	0	0	110.2	Y335 V336 Q338 F448 C450 R626	Y335-V628 CarbonylContact C-O 3.56Å; Y335-V628 WeakPolarHBondContact CA-O 3.44Å; V336-V628 WeakPolarHBondContact CG2-O 3.19Å; V336-V628 PolarHBondContact N-O 3.04Å; V336-V628 PolarHBondContact O-N 3.07Å; Q338-V628 HydrophobicContact CB-CG2 4.31Å; Q338-V628 HydrophobicContact CG-CG2 4.31Å; F448-V628 HydrophobicContact CZ-CG1 4.21Å; C450-V628 HydrophobicContact CB-CG1 4.08Å; R626-V628 HydrophobicContact CG-CG1 4.41Å
629	V	94.1	Very high	93.4	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.1	177.1	-176	0	0	0	0	109.7	T333 Y335 R449 Q633 Q634	T333-V629 HydrophobicContact CG2-CB 4.26Å; T333-V629 HydrophobicContact CG2-CG1 3.7Å; T333-V629 HydrophobicContact CG2-CG2 3.61Å; Y335-V629 HydrophobicContact CD1-CG2 4.01Å; Y335-V629 HydrophobicContact CE1-CG2 3.63Å; R449-V629 HydrophobicContact CG-CG2 3.97Å; V629-Q633 HydrophobicContact CG1-CB 4.03Å; V629-Q634 HydrophobicContact CB-CG 3.95Å; V629-Q634 HydrophobicContact CG1-CG 4.05Å; V629-Q634 PolarHBondContact O-NE2 3.41Å
630	Q	91.5	Very high	93.5	Very high	70 Å²	70	58.6 Å²	58.6	33%	0.327	29%	0.285	S	S	.	.			trans	-60.2	141	178.6	-58.4	-172.6	2.4	0	0	111.4	V336 D632 Q633 Q634	V336-Q630 HydrophobicContact CB-CG 4.46Å; V336-Q630 HydrophobicContact CG1-CG 3.66Å; V336-Q630 HydrophobicContact CG2-CG 3.92Å; Q630-D632 VanDerWaalsContact C-N 3.25Å; Q630-D632 WeakPolarHBondContact CB-OD1 3.31Å; Q630-D632 PolarHBondContact O-N 2.97Å; Q630-Q633 HydrophobicContact CB-CB 4.44Å; Q630-Q633 HydrophobicContact CB-CG 4.2Å; Q630-Q633 CarbonylContact O-C 3.5Å; Q630-Q633 WeakPolarHBondContact O-CA 3.42Å; Q630-Q633 PolarHBondContact O-N 3.25Å; Q630-Q633 VanDerWaalsContact OE1-NE2 3.15Å; Q630-Q634 PolarHBondContact O-N 3.14Å
631	L	90.4	Very high	93.8	Very high	79 Å²	79	59 Å²	59	41%	0.414	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.4	-167	-168.7	70.2	0	0	0	114.2	E640 R641	L631-E640 HydrophobicContact CD1-CB 4.05Å; L631-R641 HydrophobicContact CD1-CB 4Å
632	D	90.9	Very high	94.3	Very high	115 Å²	115	55.7 Å²	55.7	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-33.6	173	59.9	-45.5	0	0	0	112.6	Q630 R641	Q630-D632 VanDerWaalsContact C-N 3.25Å; Q630-D632 WeakPolarHBondContact CB-OD1 3.31Å; Q630-D632 PolarHBondContact O-N 2.97Å; D632-R641 PolarHBondContact O-NH1 3.4Å
633	Q	91.7	Very high	94.6	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-18.4	178.1	-57.4	-179.6	28.9	0	0	113.3	V629 Q630	V629-Q633 HydrophobicContact CG1-CB 4.03Å; Q630-Q633 HydrophobicContact CB-CB 4.44Å; Q630-Q633 HydrophobicContact CB-CG 4.2Å; Q630-Q633 CarbonylContact O-C 3.5Å; Q630-Q633 WeakPolarHBondContact O-CA 3.42Å; Q630-Q633 PolarHBondContact O-N 3.25Å; Q630-Q633 VanDerWaalsContact OE1-NE2 3.15Å
634	Q	95.1	Very high	94.8	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.037	23%	0.234	C	C	.	.	S	Bend	trans	-62.3	138	173.8	-81.1	-179	36.4	0	0	111.8	V629 Q630 E638 R641	V629-Q634 HydrophobicContact CB-CG 3.95Å; V629-Q634 HydrophobicContact CG1-CG 4.05Å; V629-Q634 PolarHBondContact O-NE2 3.41Å; Q630-Q634 PolarHBondContact O-N 3.14Å; Q634-E638 WeakPolarHBondContact CA-OE1 3.45Å; Q634-E638 HydrophobicContact CB-CB 3.99Å; Q634-E638 HydrophobicContact CG-CB 4.12Å; Q634-R641 HydrophobicContact CB-CB 3.95Å; Q634-R641 WeakPolarHBondContact O-CD 3.4Å; Q634-R641 PolarHBondContact O-NH1 2.92Å
635	G	94.8	Very high	94.8	Very high	34 Å²	34	51.2 Å²	51.2	35%	0.351	25%	0.249	S	C	.	.			trans	-68.3	161.9	170.7	0	0	0	0	0	113.3	F637 E638 R641	G635-F637 PolarHBondContact O-N 2.97Å; G635-F637 VanDerWaalsContact O-N 3.13Å; G635-E638 PolarHBondContact N-OE1 3.16Å; G635-E638 WeakPolarHBondContact O-CB 3.34Å; G635-E638 PolarHBondContact O-N 3.03Å; G635-R641 WeakPolarHBondContact O-CD 3.34Å
636	E	95.6	Very high	94.9	Very high	140 Å²	140	46.2 Å²	46.2	65%	0.654	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.3	-173.1	-57.8	-171.3	139.9	0	0	114.4
637	F	96.6	Very high	94.9	Very high	95 Å²	95	47.4 Å²	47.4	42%	0.417	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	9.2	177.7	-74.5	-101	0	0	0	113.4	I443 E446 T447 G635	I443-F637 HydrophobicContact CD1-CD1 3.97Å; I443-F637 HydrophobicContact CD1-CE1 3.85Å; I443-F637 HydrophobicContact CG1-CD1 4.47Å; E446-F637 CarbonylContact C-O 3.56Å; E446-F637 WeakPolarHBondContact CA-O 3.26Å; T447-F637 PolarHBondContact N-O 3.03Å; T447-F637 PolarHBondContact OG1-O 3.22Å; G635-F637 PolarHBondContact O-N 2.97Å; G635-F637 VanDerWaalsContact O-N 3.13Å
638	E	97.6	Very high	94.8	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.061	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-78.2	133.4	171.4	-69.4	-169.3	-117.7	0	0	110.6	T447 R449 Q634 G635 E640 R641 L642	T447-E638 CarbonylContact O-C 3.54Å; T447-E638 VanDerWaalsContact O-CA 3.29Å; T447-E638 WeakPolarHBondContact O-CA 3.32Å; R449-E638 VanDerWaalsContact CG-OE2 3.27Å; R449-E638 WeakPolarHBondContact CG-OE2 3.37Å; R449-E638 IonicContact CZ-OE1 2.86Å; R449-E638 IonicContact CZ-OE2 3.23Å; R449-E638 IonicContact NE-OE1 3.83Å; R449-E638 PolarHBondContact NE-OE1 3.43Å; R449-E638 IonicContact NE-OE2 2.74Å; R449-E638 PolarHBondContact NE-OE2 3.18Å; R449-E638 IonicContact NH2-OE1 3.59Å; R449-E638 PolarHBondContact NH2-OE1 3.36Å; R449-E638 IonicContact NH2-OE2 2.72Å; Q634-E638 WeakPolarHBondContact CA-OE1 3.45Å; Q634-E638 HydrophobicContact CB-CB 3.99Å; Q634-E638 HydrophobicContact CG-CB 4.12Å; G635-E638 PolarHBondContact N-OE1 3.16Å; G635-E638 WeakPolarHBondContact O-CB 3.34Å; G635-E638 PolarHBondContact O-N 3.03Å; E638-E640 PolarHBondContact O-N 3.25Å; E638-E640 VanDerWaalsContact O-N 3.13Å; E638-R641 PolarHBondContact O-N 3.19Å; E638-L642 WeakPolarHBondContact O-CB 3.48Å; E638-L642 PolarHBondContact O-N 3.45Å
639	S	97.4	Very high	94.7	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-53.3	-40.8	-163.1	-64.6	0	0	0	0	115.5	S390 E446 T447 W643	S390-S639 WeakPolarHBondContact CB-OG 3.33Å; E446-S639 WeakPolarHBondContact OE1-CB 3.43Å; E446-S639 PolarHBondContact OE1-OG 3.09Å; T447-S639 PolarHBondContact O-N 3.25Å; T447-S639 PolarHBondContact O-OG 2.91Å; S639-W643 WeakPolarHBondContact O-CB 3.46Å; S639-W643 VanDerWaalsContact O-CD1 3.29Å; S639-W643 PolarHBondContact O-N 3.11Å
640	E	94.2	Very high	94.5	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-73.3	-42.5	-176.2	-54.9	-172.6	174	0	0	111.5	Q338 F448 L631 E638 Q644	Q338-E640 PolarHBondContact NE2-OE1 3.29Å; F448-E640 HydrophobicContact CE2-CG 4.2Å; L631-E640 HydrophobicContact CD1-CB 4.05Å; E638-E640 PolarHBondContact O-N 3.25Å; E638-E640 VanDerWaalsContact O-N 3.13Å; E640-Q644 WeakPolarHBondContact O-CA 3.48Å; E640-Q644 WeakPolarHBondContact O-CB 3.38Å; E640-Q644 PolarHBondContact O-N 2.69Å
641	R	96.3	Very high	94.4	Very high	79 Å²	79	58.2 Å²	58.2	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-43.6	173.8	178.5	171.1	171.5	154.2	-0.4	112.5	L631 D632 Q634 G635 E638 Q644	L631-R641 HydrophobicContact CD1-CB 4Å; D632-R641 PolarHBondContact O-NH1 3.4Å; Q634-R641 HydrophobicContact CB-CB 3.95Å; Q634-R641 WeakPolarHBondContact O-CD 3.4Å; Q634-R641 PolarHBondContact O-NH1 2.92Å; G635-R641 WeakPolarHBondContact O-CD 3.34Å; E638-R641 PolarHBondContact O-N 3.19Å; R641-Q644 WeakPolarHBondContact O-CB 3.46Å; R641-Q644 VanDerWaalsContact O-CG 3.27Å; R641-Q644 WeakPolarHBondContact O-CG 3.33Å; R641-Q644 PolarHBondContact O-NE2 3.42Å
642	L	97.5	Very high	94.4	Very high	22 Å²	22	59.6 Å²	59.6	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-51.7	179.8	178	70.6	0	0	0	111.7	I443 E446 E638 Q644 L665	I443-L642 HydrophobicContact CD1-CD1 3.88Å; I443-L642 HydrophobicContact CD1-CD2 3.57Å; I443-L642 HydrophobicContact CD1-CG 4.33Å; I443-L642 HydrophobicContact CG1-CD2 3.68Å; E446-L642 HydrophobicContact CB-CD2 4.3Å; E446-L642 HydrophobicContact CG-CD2 3.7Å; E638-L642 WeakPolarHBondContact O-CB 3.48Å; E638-L642 PolarHBondContact O-N 3.45Å; L642-Q644 VanDerWaalsContact C-N 3.28Å; L642-Q644 PolarHBondContact O-N 3.15Å; L642-L665 HydrophobicContact CD1-CD2 3.9Å; L642-L665 HydrophobicContact CG-CD2 4.5Å
643	W	96.9	Very high	94.2	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.015	29%	0.289	C	S	.	.	S	Bend	trans	-84.1	2.5	-176.1	-68.8	97.4	0	0	0	113.6	Y440 N441 I443 E446 S639 H645 V646 T647 K662 L665	Y440-W643 HydrophobicContact CD1-CE3 4.22Å; Y440-W643 HydrophobicContact CD1-CZ3 4.42Å; Y440-W643 HydrophobicContact CD2-CB 3.79Å; Y440-W643 AromaticContact CD2-CD2 3.49Å; Y440-W643 HydrophobicContact CD2-CD2 3.49Å; Y440-W643 VanDerWaalsContact CD2-CD2 3.49Å; Y440-W643 AromaticContact CD2-CE3 3.76Å; Y440-W643 HydrophobicContact CD2-CE3 3.76Å; Y440-W643 AromaticContact CD2-CG 3.49Å; Y440-W643 HydrophobicContact CD2-CG 3.49Å; Y440-W643 VanDerWaalsContact CD2-CG 3.49Å; Y440-W643 HydrophobicContact CE2-CB 3.64Å; Y440-W643 HydrophobicContact CE2-CD2 4.08Å; Y440-W643 HydrophobicContact CE2-CE3 4.13Å; Y440-W643 AromaticContact CE2-CG 3.89Å; Y440-W643 HydrophobicContact CE2-CG 3.89Å; Y440-W643 AromaticContact CG-CD2 3.83Å; Y440-W643 HydrophobicContact CG-CD2 3.83Å; Y440-W643 AromaticContact CG-CE3 3.81Å; Y440-W643 HydrophobicContact CG-CE3 3.81Å; Y440-W643 HydrophobicContact CG-CG 4.31Å; Y440-W643 HydrophobicContact CG-CZ3 4.21Å; N441-W643 WeakPolarHBondContact O-CZ2 3.08Å; I443-W643 HydrophobicContact CG2-CZ2 4.14Å; E446-W643 VanDerWaalsContact CD-NE1 3.28Å; E446-W643 PolarHBondContact OE1-NE1 3.43Å; E446-W643 PolarHBondContact OE2-NE1 2.69Å; S639-W643 WeakPolarHBondContact O-CB 3.46Å; S639-W643 VanDerWaalsContact O-CD1 3.29Å; S639-W643 PolarHBondContact O-N 3.11Å; W643-H645 VanDerWaalsContact C-N 3.25Å; W643-H645 PolarHBondContact O-N 3.16Å; W643-V646 HydrophobicContact CE3-CB 4.1Å; W643-V646 HydrophobicContact CE3-CG1 4.41Å; W643-V646 HydrophobicContact CE3-CG2 3.82Å; W643-V646 HydrophobicContact CZ3-CG2 4.18Å; W643-V646 PolarHBondContact O-N 3.41Å; W643-T647 WeakPolarHBondContact O-CB 3.32Å; W643-T647 PolarHBondContact O-N 2.87Å; W643-T647 PolarHBondContact O-OG1 2.88Å; W643-K662 HydrophobicContact CZ3-CG 4.29Å; W643-L665 HydrophobicContact CD2-CD1 4.1Å; W643-L665 HydrophobicContact CE3-CD1 3.64Å; W643-L665 HydrophobicContact CH2-CD1 4.33Å; W643-L665 HydrophobicContact CZ3-CD1 3.77Å
644	Q	95.7	Very high	94.2	Very high	51 Å²	51	63.4 Å²	63.4	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-51.7	-37.1	-168.7	75.1	177.8	-72.6	0	0	114.8	E640 R641 L642 R648	E640-Q644 WeakPolarHBondContact O-CA 3.48Å; E640-Q644 WeakPolarHBondContact O-CB 3.38Å; E640-Q644 PolarHBondContact O-N 2.69Å; R641-Q644 WeakPolarHBondContact O-CB 3.46Å; R641-Q644 VanDerWaalsContact O-CG 3.27Å; R641-Q644 WeakPolarHBondContact O-CG 3.33Å; R641-Q644 PolarHBondContact O-NE2 3.42Å; L642-Q644 VanDerWaalsContact C-N 3.28Å; L642-Q644 PolarHBondContact O-N 3.15Å; Q644-R648 VanDerWaalsContact O-CB 3.26Å; Q644-R648 WeakPolarHBondContact O-CB 3.18Å; Q644-R648 PolarHBondContact O-N 3.01Å
645	H	96.3	Very high	93.8	Very high	78 Å²	78	65.7 Å²	65.7	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-75.6	-39.3	-177.4	-62.9	-76.8	0	0	0	111.9	W643 R648 A649 E661	W643-H645 VanDerWaalsContact C-N 3.25Å; W643-H645 PolarHBondContact O-N 3.16Å; H645-R648 PolarHBondContact O-N 2.78Å; H645-A649 WeakPolarHBondContact O-CB 3.49Å; H645-A649 PolarHBondContact O-N 2.84Å; H645-E661 HydrophobicContact CB-CB 4.12Å; H645-E661 HydrophobicContact CB-CG 4.06Å
646	V	95	Very high	93.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-44.5	172.7	-170.3	0	0	0	0	110.1	Y440 W643 R648 A649 I650 E661 K662 L665	Y440-V646 HydrophobicContact CE1-CG1 3.79Å; W643-V646 HydrophobicContact CE3-CB 4.1Å; W643-V646 HydrophobicContact CE3-CG1 4.41Å; W643-V646 HydrophobicContact CE3-CG2 3.82Å; W643-V646 HydrophobicContact CZ3-CG2 4.18Å; W643-V646 PolarHBondContact O-N 3.41Å; V646-R648 PolarHBondContact O-N 3.4Å; V646-A649 PolarHBondContact O-N 3.38Å; V646-I650 HydrophobicContact CG1-CD1 4.1Å; V646-I650 WeakPolarHBondContact O-CB 3.42Å; V646-I650 WeakPolarHBondContact O-CG1 3.49Å; V646-I650 PolarHBondContact O-N 3.4Å; V646-E661 HydrophobicContact CG2-CB 3.91Å; V646-K662 HydrophobicContact CG1-CB 4.2Å; V646-K662 HydrophobicContact CG2-CB 4.05Å; V646-L665 HydrophobicContact CG2-CD1 3.98Å
647	T	93.6	Very high	93.5	Very high	30 Å²	30	68.6 Å²	68.6	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-46	175.2	-69.4	0	0	0	0	111.8	P388 Y440 W643 R651	P388-T647 HydrophobicContact CB-CG2 4.27Å; Y440-T647 WeakPolarHBondContact OH-CA 3.44Å; Y440-T647 PolarHBondContact OH-N 3.44Å; Y440-T647 PolarHBondContact OH-OG1 2.97Å; W643-T647 WeakPolarHBondContact O-CB 3.32Å; W643-T647 PolarHBondContact O-N 2.87Å; W643-T647 PolarHBondContact O-OG1 2.88Å; T647-R651 VanDerWaalsContact O-CG 3.3Å; T647-R651 WeakPolarHBondContact O-CG 3.33Å; T647-R651 PolarHBondContact O-N 3.29Å
648	R	94.2	Very high	93.3	Very high	124 Å²	124	64.1 Å²	64.1	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-53.5	178.1	-165.3	176.3	-54.3	172.2	8.6	111.1	Q644 H645 V646 I650 R651 D652	Q644-R648 VanDerWaalsContact O-CB 3.26Å; Q644-R648 WeakPolarHBondContact O-CB 3.18Å; Q644-R648 PolarHBondContact O-N 3.01Å; H645-R648 PolarHBondContact O-N 2.78Å; V646-R648 PolarHBondContact O-N 3.4Å; R648-I650 VanDerWaalsContact C-N 3.3Å; R648-I650 PolarHBondContact O-N 2.8Å; R648-R651 WeakPolarHBondContact O-CB 3.42Å; R648-R651 PolarHBondContact O-N 3.13Å; R648-D652 WeakPolarHBondContact O-CB 3.31Å; R648-D652 PolarHBondContact O-N 3.08Å
649	A	94.1	Very high	93	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-37.3	179.1	0	0	0	0	0	113.4	H645 V646 D652 R653 D654 R657 A658	H645-A649 WeakPolarHBondContact O-CB 3.49Å; H645-A649 PolarHBondContact O-N 2.84Å; V646-A649 PolarHBondContact O-N 3.38Å; A649-D652 CarbonylContact O-C 3.55Å; A649-D652 PolarHBondContact O-N 3.19Å; A649-R653 CarbonylContact O-C 3.54Å; A649-R653 PolarHBondContact O-N 2.98Å; A649-D654 PolarHBondContact O-N 3.43Å; A649-R657 HydrophobicContact CB-CB 4Å; A649-R657 HydrophobicContact CB-CG 3.85Å; A649-A658 HydrophobicContact CB-CB 3.86Å
650	I	89.4	Confident	92.8	Very high	26 Å²	26	72 Å²	72	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-40.2	174.6	-72.4	-178.1	0	0	0	111.9	L386 P388 Y440 V646 R648 R653 A658	L386-I650 HydrophobicContact CB-CD1 3.9Å; L386-I650 HydrophobicContact CD1-CD1 4.33Å; P388-I650 HydrophobicContact CB-CG2 4.34Å; Y440-I650 HydrophobicContact CE1-CD1 3.95Å; V646-I650 HydrophobicContact CG1-CD1 4.1Å; V646-I650 WeakPolarHBondContact O-CB 3.42Å; V646-I650 WeakPolarHBondContact O-CG1 3.49Å; V646-I650 PolarHBondContact O-N 3.4Å; R648-I650 VanDerWaalsContact C-N 3.3Å; R648-I650 PolarHBondContact O-N 2.8Å; I650-R653 WeakPolarHBondContact O-CA 3.49Å; I650-R653 PolarHBondContact O-N 2.99Å; I650-R653 VanDerWaalsContact O-N 3.14Å; I650-A658 HydrophobicContact CD1-CB 4.44Å; I650-A658 HydrophobicContact CG1-CB 3.63Å
651	R	88.6	Confident	92.9	Very high	191 Å²	191	71.9 Å²	71.9	72%	0.721	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-40.4	175	-73.2	173.2	64.4	162.2	1.3	112	T647 R648 R653	T647-R651 VanDerWaalsContact O-CG 3.3Å; T647-R651 WeakPolarHBondContact O-CG 3.33Å; T647-R651 PolarHBondContact O-N 3.29Å; R648-R651 WeakPolarHBondContact O-CB 3.42Å; R648-R651 PolarHBondContact O-N 3.13Å; R651-R653 PolarHBondContact O-N 3.24Å
652	D	91.4	Very high	92.8	Very high	109 Å²	109	69.1 Å²	69.1	58%	0.583	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.1	175.1	-57.2	-21	0	0	0	112.5	R648 A649 D654	R648-D652 WeakPolarHBondContact O-CB 3.31Å; R648-D652 PolarHBondContact O-N 3.08Å; A649-D652 CarbonylContact O-C 3.55Å; A649-D652 PolarHBondContact O-N 3.19Å; D652-D654 PolarHBondContact O-N 3.5Å
653	R	87.2	Confident	92.7	Very high	210 Å²	210	72.6 Å²	72.6	79%	0.792	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	4.2	-177.3	-52.7	-177.2	179.2	-170.9	-0.7	115.7	A649 I650 R651 Q655	A649-R653 CarbonylContact O-C 3.54Å; A649-R653 PolarHBondContact O-N 2.98Å; I650-R653 WeakPolarHBondContact O-CA 3.49Å; I650-R653 PolarHBondContact O-N 2.99Å; I650-R653 VanDerWaalsContact O-N 3.14Å; R651-R653 PolarHBondContact O-N 3.24Å; R653-Q655 PolarHBondContact O-N 3.44Å; R653-Q655 PolarHBondContact O-NE2 3.5Å
654	D	90	Very high	92.6	Very high	69 Å²	69	76.1 Å²	76.1	37%	0.369	35%	0.353	S	S	.	.			trans	-70.1	92.7	175.9	-173.9	-12.5	0	0	0	111.6	A649 D652 V656 R657 A658	A649-D654 PolarHBondContact O-N 3.43Å; D652-D654 PolarHBondContact O-N 3.5Å; D654-V656 VanDerWaalsContact C-N 3.29Å; D654-V656 PolarHBondContact O-N 3.5Å; D654-V656 PolarHBondContact OD1-N 2.88Å; D654-R657 HydrophobicContact CB-CB 4.11Å; D654-R657 PolarHBondContact OD1-N 3.42Å; D654-R657 WeakPolarHBondContact OD2-CB 3.47Å; D654-A658 WeakPolarHBondContact O-CB 3.27Å; D654-A658 PolarHBondContact O-N 3.34Å
655	Q	86.6	Confident	92.6	Very high	57 Å²	57	75.4 Å²	75.4	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-69.5	-25.4	179.2	-57.8	-50.3	-63.4	0	0	113.2	T383 F384 R653 T659	T383-Q655 PolarHBondContact OG1-O 3.06Å; T383-Q655 PolarHBondContact OG1-OE1 2.67Å; T383-Q655 VanDerWaalsContact OG1-OE1 3.12Å; F384-Q655 VanDerWaalsContact CA-OE1 3.28Å; F384-Q655 VanDerWaalsContact N-OE1 3.09Å; R653-Q655 PolarHBondContact O-N 3.44Å; R653-Q655 PolarHBondContact O-NE2 3.5Å; Q655-T659 WeakPolarHBondContact O-CB 3.41Å; Q655-T659 PolarHBondContact O-N 3.09Å; Q655-T659 VanDerWaalsContact O-N 3.08Å; Q655-T659 PolarHBondContact O-OG1 3.48Å
656	V	89.7	Confident	92.4	Very high	120 Å²	120	73.5 Å²	73.5	73%	0.727	34%	0.342	S	S	*	.	H	α-helix	trans	-73.3	-51.8	-179.7	178.9	0	0	0	0	108.6	D654 T659 Q660	D654-V656 VanDerWaalsContact C-N 3.29Å; D654-V656 PolarHBondContact O-N 3.5Å; D654-V656 PolarHBondContact OD1-N 2.88Å; V656-T659 WeakPolarHBondContact O-CB 3.29Å; V656-T659 PolarHBondContact O-N 3.11Å; V656-Q660 PolarHBondContact O-N 2.95Å
657	R	94.4	Very high	92.4	Very high	115 Å²	115	76.4 Å²	76.4	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-44.9	173.7	-174.9	178.2	-174.9	156.2	12.5	111.8	A649 D654 T659 Q660 E661	A649-R657 HydrophobicContact CB-CB 4Å; A649-R657 HydrophobicContact CB-CG 3.85Å; D654-R657 HydrophobicContact CB-CB 4.11Å; D654-R657 PolarHBondContact OD1-N 3.42Å; D654-R657 WeakPolarHBondContact OD2-CB 3.47Å; R657-T659 PolarHBondContact O-N 3.26Å; R657-Q660 PolarHBondContact O-N 3.11Å; R657-E661 HydrophobicContact CG-CG 3.69Å; R657-E661 IonicContact CZ-OE1 2.69Å; R657-E661 VanDerWaalsContact CZ-OE1 3.29Å; R657-E661 IonicContact NE-OE1 2.69Å; R657-E661 PolarHBondContact NE-OE1 3.14Å; R657-E661 IonicContact NH2-OE1 3.68Å; R657-E661 PolarHBondContact NH2-OE1 3.11Å; R657-E661 WeakPolarHBondContact O-CG 3.36Å; R657-E661 PolarHBondContact O-N 3.02Å
658	A	92.6	Very high	92.5	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-56.5	-35.6	176.6	0	0	0	0	0	112.3	T383 A649 I650 D654 K662	T383-A658 HydrophobicContact CG2-CB 4.03Å; A649-A658 HydrophobicContact CB-CB 3.86Å; I650-A658 HydrophobicContact CD1-CB 4.44Å; I650-A658 HydrophobicContact CG1-CB 3.63Å; D654-A658 WeakPolarHBondContact O-CB 3.27Å; D654-A658 PolarHBondContact O-N 3.34Å; A658-K662 WeakPolarHBondContact O-CB 3.45Å; A658-K662 PolarHBondContact O-N 3.41Å
659	T	91.3	Very high	92.5	Very high	72 Å²	72	73 Å²	73	44%	0.442	35%	0.353	S	S	.	.	H	α-helix	trans	-71.7	-41.3	175.9	-57.5	0	0	0	0	111.3	T383 Q655 V656 R657 F663	T383-T659 PolarHBondContact OG1-OG1 3.48Å; Q655-T659 WeakPolarHBondContact O-CB 3.41Å; Q655-T659 PolarHBondContact O-N 3.09Å; Q655-T659 VanDerWaalsContact O-N 3.08Å; Q655-T659 PolarHBondContact O-OG1 3.48Å; V656-T659 WeakPolarHBondContact O-CB 3.29Å; V656-T659 PolarHBondContact O-N 3.11Å; R657-T659 PolarHBondContact O-N 3.26Å; T659-F663 WeakPolarHBondContact O-CB 3.48Å; T659-F663 PolarHBondContact O-N 3.27Å
660	Q	94.9	Very high	92.5	Very high	111 Å²	111	77.2 Å²	77.2	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-51.2	179.1	-177.9	58.7	36.4	0	0	112.6	V656 R657 K662 F663 V664	V656-Q660 PolarHBondContact O-N 2.95Å; R657-Q660 PolarHBondContact O-N 3.11Å; Q660-K662 VanDerWaalsContact C-N 3.26Å; Q660-K662 PolarHBondContact O-N 2.89Å; Q660-F663 WeakPolarHBondContact O-CB 3.27Å; Q660-F663 PolarHBondContact O-N 3.25Å; Q660-F663 VanDerWaalsContact O-N 3.07Å; Q660-V664 WeakPolarHBondContact O-CG2 3.36Å; Q660-V664 PolarHBondContact O-N 2.81Å
661	E	96.2	Very high	92.8	Very high	40 Å²	40	78.3 Å²	78.3	19%	0.187	38%	0.377	C	S	.	.	H	α-helix	trans	-60.5	-39.3	179.5	-55.9	-80.8	-159.8	0	0	110.1	H645 V646 R657 V664 L665	H645-E661 HydrophobicContact CB-CB 4.12Å; H645-E661 HydrophobicContact CB-CG 4.06Å; V646-E661 HydrophobicContact CG2-CB 3.91Å; R657-E661 HydrophobicContact CG-CG 3.69Å; R657-E661 IonicContact CZ-OE1 2.69Å; R657-E661 VanDerWaalsContact CZ-OE1 3.29Å; R657-E661 IonicContact NE-OE1 2.69Å; R657-E661 PolarHBondContact NE-OE1 3.14Å; R657-E661 IonicContact NH2-OE1 3.68Å; R657-E661 PolarHBondContact NH2-OE1 3.11Å; R657-E661 WeakPolarHBondContact O-CG 3.36Å; R657-E661 PolarHBondContact O-N 3.02Å; E661-V664 PolarHBondContact O-N 2.96Å; E661-L665 PolarHBondContact O-N 3.16Å
662	K	94.3	Very high	93.1	Very high	21 Å²	21	71.9 Å²	71.9	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-40.3	173.5	176.6	177.7	175.8	-66.5	0	112.5	T383 L386 W643 V646 A658 Q660 V664 L665 E666	T383-K662 HydrophobicContact CG2-CD 4.39Å; L386-K662 HydrophobicContact CD1-CD 4.03Å; W643-K662 HydrophobicContact CZ3-CG 4.29Å; V646-K662 HydrophobicContact CG1-CB 4.2Å; V646-K662 HydrophobicContact CG2-CB 4.05Å; A658-K662 WeakPolarHBondContact O-CB 3.45Å; A658-K662 PolarHBondContact O-N 3.41Å; Q660-K662 VanDerWaalsContact C-N 3.26Å; Q660-K662 PolarHBondContact O-N 2.89Å; K662-V664 VanDerWaalsContact C-N 3.32Å; K662-V664 PolarHBondContact O-N 3.36Å; K662-L665 PolarHBondContact O-N 3.15Å; K662-E666 WeakPolarHBondContact CE-OE1 3.41Å; K662-E666 IonicContact NZ-OE1 2.69Å; K662-E666 PolarHBondContact NZ-OE1 3.2Å; K662-E666 IonicContact NZ-OE2 3.19Å; K662-E666 PolarHBondContact NZ-OE2 2.64Å; K662-E666 WeakPolarHBondContact O-CG 3.48Å; K662-E666 PolarHBondContact O-N 3.35Å; K662-E666 VanDerWaalsContact O-N 3.08Å
663	F	93.6	Very high	93.2	Very high	96 Å²	96	68.8 Å²	68.8	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-38	177.2	174.1	-93.1	0	0	0	111.8	T659 Q660 E666 E667	T659-F663 WeakPolarHBondContact O-CB 3.48Å; T659-F663 PolarHBondContact O-N 3.27Å; Q660-F663 WeakPolarHBondContact O-CB 3.27Å; Q660-F663 PolarHBondContact O-N 3.25Å; Q660-F663 VanDerWaalsContact O-N 3.07Å; F663-E666 PolarHBondContact O-N 3.47Å; F663-E667 HydrophobicContact CE1-CB 4.14Å; F663-E667 HydrophobicContact CE2-CB 4.46Å; F663-E667 HydrophobicContact CZ-CB 4.03Å; F663-E667 HydrophobicContact CZ-CG 4.19Å; F663-E667 WeakPolarHBondContact O-CB 3.37Å; F663-E667 PolarHBondContact O-N 3.47Å
664	V	96.2	Very high	93.6	Very high	78 Å²	78	64.8 Å²	64.8	47%	0.473	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-49.9	175.8	171.7	0	0	0	0	111	Q660 E661 K662 E666 E667 A668	Q660-V664 WeakPolarHBondContact O-CG2 3.36Å; Q660-V664 PolarHBondContact O-N 2.81Å; E661-V664 PolarHBondContact O-N 2.96Å; K662-V664 VanDerWaalsContact C-N 3.32Å; K662-V664 PolarHBondContact O-N 3.36Å; V664-E666 PolarHBondContact O-N 3.02Å; V664-E667 PolarHBondContact O-N 3.48Å; V664-A668 WeakPolarHBondContact O-CB 3.33Å; V664-A668 PolarHBondContact O-N 3.39Å
665	L	95.2	Very high	93.9	Very high	35 Å²	35	68.1 Å²	68.1	18%	0.183	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-45.7	176.8	-68.3	174.4	0	0	0	112.2	L642 W643 V646 E661 K662 Q669	L642-L665 HydrophobicContact CD1-CD2 3.9Å; L642-L665 HydrophobicContact CG-CD2 4.5Å; W643-L665 HydrophobicContact CD2-CD1 4.1Å; W643-L665 HydrophobicContact CE3-CD1 3.64Å; W643-L665 HydrophobicContact CH2-CD1 4.33Å; W643-L665 HydrophobicContact CZ3-CD1 3.77Å; V646-L665 HydrophobicContact CG2-CD1 3.98Å; E661-L665 PolarHBondContact O-N 3.16Å; K662-L665 PolarHBondContact O-N 3.15Å; L665-Q669 PolarHBondContact O-N 2.89Å
666	E	92.4	Very high	94.3	Very high	38 Å²	38	67.8 Å²	67.8	18%	0.178	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-33.9	-179.2	-67.7	-178.8	148.5	0	0	113.5	K662 F663 V664 Q669 R670	K662-E666 WeakPolarHBondContact CE-OE1 3.41Å; K662-E666 IonicContact NZ-OE1 2.69Å; K662-E666 PolarHBondContact NZ-OE1 3.2Å; K662-E666 IonicContact NZ-OE2 3.19Å; K662-E666 PolarHBondContact NZ-OE2 2.64Å; K662-E666 WeakPolarHBondContact O-CG 3.48Å; K662-E666 PolarHBondContact O-N 3.35Å; K662-E666 VanDerWaalsContact O-N 3.08Å; F663-E666 PolarHBondContact O-N 3.47Å; V664-E666 PolarHBondContact O-N 3.02Å; E666-Q669 PolarHBondContact O-N 3.31Å; E666-R670 VanDerWaalsContact CB-NH2 3.26Å; E666-R670 VanDerWaalsContact O-CG 3.23Å; E666-R670 WeakPolarHBondContact O-CG 3.07Å; E666-R670 PolarHBondContact O-N 2.67Å; E666-R670 IonicContact OE2-NH2 3.77Å; E666-R670 PolarHBondContact OE2-NH2 3.42Å
667	E	94.7	Very high	94.5	Very high	61 Å²	61	63.9 Å²	63.9	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-78	-30.6	177.2	-165.5	59.1	-132.2	0	0	112.4	F663 V664 R670 T671 K674	F663-E667 HydrophobicContact CE1-CB 4.14Å; F663-E667 HydrophobicContact CE2-CB 4.46Å; F663-E667 HydrophobicContact CZ-CB 4.03Å; F663-E667 HydrophobicContact CZ-CG 4.19Å; F663-E667 WeakPolarHBondContact O-CB 3.37Å; F663-E667 PolarHBondContact O-N 3.47Å; V664-E667 PolarHBondContact O-N 3.48Å; E667-R670 PolarHBondContact O-N 3.2Å; E667-R670 VanDerWaalsContact OE2-CD 3.25Å; E667-R670 WeakPolarHBondContact OE2-CD 3.3Å; E667-R670 IonicContact OE2-CZ 2.75Å; E667-R670 IonicContact OE2-NE 2.76Å; E667-R670 IonicContact OE2-NH1 2.67Å; E667-R670 PolarHBondContact OE2-NH1 2.73Å; E667-T671 WeakPolarHBondContact O-CB 3.31Å; E667-T671 PolarHBondContact O-N 3.14Å; E667-T671 PolarHBondContact O-OG1 2.98Å; E667-K674 IonicContact OE1-NZ 2.87Å; E667-K674 PolarHBondContact OE1-NZ 3.06Å
668	A	95.7	Very high	94.3	Very high	60 Å²	60	67.7 Å²	67.7	50%	0.496	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-48.9	166.4	0	0	0	0	0	110.3	V664 R670 T671 E672	V664-A668 WeakPolarHBondContact O-CB 3.33Å; V664-A668 PolarHBondContact O-N 3.39Å; A668-R670 PolarHBondContact O-N 2.88Å; A668-T671 WeakPolarHBondContact O-CA 3.38Å; A668-T671 PolarHBondContact O-N 2.58Å; A668-E672 PolarHBondContact O-N 3.44Å
669	Q	94.3	Very high	94.3	Very high	24 Å²	24	75.4 Å²	75.4	11%	0.112	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-39.6	176.5	-161.5	-159.3	-6.9	0	0	113	I443 H470 L665 E666 T671 A673	I443-Q669 HydrophobicContact CB-CG 4.17Å; H470-Q669 PolarHBondContact CD2-NE2 2.82Å; H470-Q669 PolarHBondContact CE1-NE2 3.28Å; H470-Q669 PolarHBondContact CE1-OE1 2.7Å; H470-Q669 VanDerWaalsContact CE1-OE1 3.25Å; H470-Q669 PolarHBondContact ND1-NE2 3.49Å; H470-Q669 VanDerWaalsContact ND1-NE2 3.11Å; L665-Q669 PolarHBondContact O-N 2.89Å; E666-Q669 PolarHBondContact O-N 3.31Å; Q669-T671 PolarHBondContact O-N 3.32Å; Q669-A673 WeakPolarHBondContact O-CB 3.43Å; Q669-A673 PolarHBondContact O-N 2.94Å
670	R	93.8	Very high	94.2	Very high	89 Å²	89	77 Å²	77	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-29.6	172.8	-72.1	168.3	-153.2	128.9	8.8	111.8	E666 E667 A668 K674	E666-R670 VanDerWaalsContact CB-NH2 3.26Å; E666-R670 VanDerWaalsContact O-CG 3.23Å; E666-R670 WeakPolarHBondContact O-CG 3.07Å; E666-R670 PolarHBondContact O-N 2.67Å; E666-R670 IonicContact OE2-NH2 3.77Å; E666-R670 PolarHBondContact OE2-NH2 3.42Å; E667-R670 PolarHBondContact O-N 3.2Å; E667-R670 VanDerWaalsContact OE2-CD 3.25Å; E667-R670 WeakPolarHBondContact OE2-CD 3.3Å; E667-R670 IonicContact OE2-CZ 2.75Å; E667-R670 IonicContact OE2-NE 2.76Å; E667-R670 IonicContact OE2-NH1 2.67Å; E667-R670 PolarHBondContact OE2-NH1 2.73Å; A668-R670 PolarHBondContact O-N 2.88Å; R670-K674 WeakPolarHBondContact O-CD 3.29Å; R670-K674 WeakPolarHBondContact O-CE 3.08Å; R670-K674 WeakPolarHBondContact O-CG 3.27Å; R670-K674 PolarHBondContact O-N 3.5Å
671	T	96.2	Very high	94.1	Very high	49 Å²	49	75.8 Å²	75.8	30%	0.301	38%	0.381	S	S	.	.	H	α-helix	trans	-79.5	-44.5	-179.6	-58.1	0	0	0	0	111.4	E667 A668 Q669 A673 K674 E675	E667-T671 WeakPolarHBondContact O-CB 3.31Å; E667-T671 PolarHBondContact O-N 3.14Å; E667-T671 PolarHBondContact O-OG1 2.98Å; A668-T671 WeakPolarHBondContact O-CA 3.38Å; A668-T671 PolarHBondContact O-N 2.58Å; Q669-T671 PolarHBondContact O-N 3.32Å; T671-A673 PolarHBondContact O-N 2.94Å; T671-K674 WeakPolarHBondContact O-CB 3.39Å; T671-K674 PolarHBondContact O-N 2.93Å; T671-K674 PolarHBondContact OG1-NZ 3.4Å; T671-K674 VanDerWaalsContact OG1-NZ 3.11Å; T671-E675 WeakPolarHBondContact O-CG 3.46Å; T671-E675 PolarHBondContact O-N 2.96Å
672	E	95	Very high	94	Very high	55 Å²	55	80.3 Å²	80.3	26%	0.257	41%	0.405	S	S	.	.	H	α-helix	trans	-48.2	-48.3	165.5	-173.4	-72.8	147.9	0	0	111.1	A668 K674 E675 R676	A668-E672 PolarHBondContact O-N 3.44Å; E672-K674 VanDerWaalsContact C-N 3.33Å; E672-K674 PolarHBondContact O-N 2.86Å; E672-E675 PolarHBondContact O-N 3.4Å; E672-R676 VanDerWaalsContact O-CB 3.29Å; E672-R676 WeakPolarHBondContact O-CB 3.43Å; E672-R676 PolarHBondContact O-N 3.01Å; E672-R676 WeakPolarHBondContact OE1-CB 3.35Å; E672-R676 VanDerWaalsContact OE1-CD 3.24Å; E672-R676 WeakPolarHBondContact OE1-CD 3.41Å; E672-R676 IonicContact OE1-CZ 3.89Å; E672-R676 IonicContact OE1-NE 3.3Å; E672-R676 PolarHBondContact OE1-NE 2.93Å; E672-R676 IonicContact OE1-NH2 3.65Å; E672-R676 IonicContact OE2-CZ 3.9Å; E672-R676 IonicContact OE2-NE 2.7Å; E672-R676 PolarHBondContact OE2-NE 2.86Å; E672-R676 IonicContact OE2-NH2 3.18Å; E672-R676 PolarHBondContact OE2-NH2 3.25Å
673	A	93.8	Very high	94.2	Very high	45 Å²	45	79.7 Å²	79.7	37%	0.372	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-30.9	-178.1	0	0	0	0	0	113.7	Q669 T671 G677	Q669-A673 WeakPolarHBondContact O-CB 3.43Å; Q669-A673 PolarHBondContact O-N 2.94Å; T671-A673 PolarHBondContact O-N 2.94Å; A673-G677 PolarHBondContact O-N 3.39Å
674	K	94.9	Very high	94.3	Very high	126 Å²	126	81.3 Å²	81.3	55%	0.548	41%	0.41	S	S	.	.	H	α-helix	trans	-68.7	-44	172.7	-65.6	157.2	-149.9	153.2	0	110.6	E667 R670 T671 E672	E667-K674 IonicContact OE1-NZ 2.87Å; E667-K674 PolarHBondContact OE1-NZ 3.06Å; R670-K674 WeakPolarHBondContact O-CD 3.29Å; R670-K674 WeakPolarHBondContact O-CE 3.08Å; R670-K674 WeakPolarHBondContact O-CG 3.27Å; R670-K674 PolarHBondContact O-N 3.5Å; T671-K674 WeakPolarHBondContact O-CB 3.39Å; T671-K674 PolarHBondContact O-N 2.93Å; T671-K674 PolarHBondContact OG1-NZ 3.4Å; T671-K674 VanDerWaalsContact OG1-NZ 3.11Å; E672-K674 VanDerWaalsContact C-N 3.33Å; E672-K674 PolarHBondContact O-N 2.86Å
675	E	96.2	Very high	94.4	Very high	138 Å²	138	78 Å²	78	65%	0.645	39%	0.39	S	S	*	.	H	α-helix	trans	-74.5	-42.6	-176.3	-69.2	174.3	-171.1	0	0	112.8	T671 E672 G677 R679	T671-E675 WeakPolarHBondContact O-CG 3.46Å; T671-E675 PolarHBondContact O-N 2.96Å; E672-E675 PolarHBondContact O-N 3.4Å; E675-G677 VanDerWaalsContact C-N 3.33Å; E675-R679 PolarHBondContact O-NH2 3.36Å
676	R	94.9	Very high	94.5	Very high	50 Å²	50	76.4 Å²	76.4	19%	0.189	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-40.4	174.1	-177.3	172.4	40.4	63.9	13.8	111	E672 Q678 R679	E672-R676 VanDerWaalsContact O-CB 3.29Å; E672-R676 WeakPolarHBondContact O-CB 3.43Å; E672-R676 PolarHBondContact O-N 3.01Å; E672-R676 WeakPolarHBondContact OE1-CB 3.35Å; E672-R676 VanDerWaalsContact OE1-CD 3.24Å; E672-R676 WeakPolarHBondContact OE1-CD 3.41Å; E672-R676 IonicContact OE1-CZ 3.89Å; E672-R676 IonicContact OE1-NE 3.3Å; E672-R676 PolarHBondContact OE1-NE 2.93Å; E672-R676 IonicContact OE1-NH2 3.65Å; E672-R676 IonicContact OE2-CZ 3.9Å; E672-R676 IonicContact OE2-NE 2.7Å; E672-R676 PolarHBondContact OE2-NE 2.86Å; E672-R676 IonicContact OE2-NH2 3.18Å; E672-R676 PolarHBondContact OE2-NH2 3.25Å; R676-Q678 PolarHBondContact O-N 3.32Å; R676-R679 WeakPolarHBondContact CD-O 3.41Å; R676-R679 HydrophobicContact CG-CB 3.76Å; R676-R679 VanDerWaalsContact CG-O 3.32Å; R676-R679 WeakPolarHBondContact CG-O 3.23Å; R676-R679 PolarHBondContact NH1-O 3.16Å; R676-R679 WeakPolarHBondContact O-CB 3.42Å; R676-R679 WeakPolarHBondContact O-CG 3.48Å; R676-R679 PolarHBondContact O-N 3.43Å; R676-R679 PolarHBondContact O-NE 2.99Å
677	G	93.4	Very high	94.7	Very high	39 Å²	39	79.6 Å²	79.6	40%	0.402	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-125.7	177	0	0	0	0	0	112	A673 E675 R679	A673-G677 PolarHBondContact O-N 3.39Å; E675-G677 VanDerWaalsContact C-N 3.33Å; G677-R679 VanDerWaalsContact C-N 3.28Å; G677-R679 PolarHBondContact O-N 3.31Å
678	Q	90.2	Very high	94.7	Very high	195 Å²	195	81.5 Å²	81.5	91%	0.911	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.5	178.9	-59.6	-62.7	-16	0	0	114	R676	R676-Q678 PolarHBondContact O-N 3.32Å
679	R	93.3	Very high	94.5	Very high	161 Å²	161	81 Å²	81	61%	0.608	39%	0.394	S	S	*	.	S	Bend	trans	-67.8	129.4	175	-66.4	177.1	-78	174.5	-6.6	109	E675 R676 G677	E675-R679 PolarHBondContact O-NH2 3.36Å; R676-R679 WeakPolarHBondContact CD-O 3.41Å; R676-R679 HydrophobicContact CG-CB 3.76Å; R676-R679 VanDerWaalsContact CG-O 3.32Å; R676-R679 WeakPolarHBondContact CG-O 3.23Å; R676-R679 PolarHBondContact NH1-O 3.16Å; R676-R679 WeakPolarHBondContact O-CB 3.42Å; R676-R679 WeakPolarHBondContact O-CG 3.48Å; R676-R679 PolarHBondContact O-N 3.43Å; R676-R679 PolarHBondContact O-NE 2.99Å; G677-R679 VanDerWaalsContact C-N 3.28Å; G677-R679 PolarHBondContact O-N 3.31Å
680	P	88.8	Confident	94.2	Very high	106 Å²	106	85.4 Å²	85.4	69%	0.688	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-63.6	146.7	176.1	28	-34.4	0	0	0	109.8
681	W	93.5	Very high	93.9	Very high	85 Å²	85	88.4 Å²	88.4	32%	0.322	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-74.8	140.3	163.9	-178.4	-100	0	0	0	108.7	L444 G445	L444-W681 HydrophobicContact CD1-CB 4.18Å; L444-W681 HydrophobicContact CD1-CD2 4.27Å; L444-W681 HydrophobicContact CD1-CG 3.79Å; L444-W681 HydrophobicContact CD2-CB 3.92Å; L444-W681 HydrophobicContact CD2-CD2 3.87Å; L444-W681 HydrophobicContact CD2-CE3 3.91Å; L444-W681 HydrophobicContact CD2-CG 3.85Å; L444-W681 HydrophobicContact CG-CB 4.27Å; L444-W681 HydrophobicContact CG-CD2 3.69Å; L444-W681 HydrophobicContact CG-CE3 4.09Å; L444-W681 HydrophobicContact CG-CG 3.72Å; G445-W681 VanDerWaalsContact CA-CZ2 3.46Å
682	I	94.8	Very high	93.4	Very high	136 Å²	136	89.6 Å²	89.6	70%	0.697	46%	0.455	S	S	*	.			trans	-115.7	101.8	176.5	-58.2	176.8	0	0	0	106.5
683	P	96.9	Very high	93	Very high	7 Å²	7	90.9 Å²	90.9	5%	0.045	47%	0.47	C	S	.	.			trans	-58.2	149.4	178.6	-27.5	38.3	0	0	0	112.4	E466 V468 W695 K698	E466-P683 VanDerWaalsContact CD-CB 3.49Å; E466-P683 HydrophobicContact CG-CB 4.46Å; E466-P683 WeakPolarHBondContact OE1-CA 3.45Å; E466-P683 VanDerWaalsContact OE1-CB 3.31Å; E466-P683 WeakPolarHBondContact OE1-CB 3.46Å; E466-P683 WeakPolarHBondContact OE2-CB 3.33Å; V468-P683 HydrophobicContact CB-CB 4.42Å; V468-P683 HydrophobicContact CB-CG 3.79Å; V468-P683 HydrophobicContact CG1-CB 3.94Å; V468-P683 HydrophobicContact CG1-CG 3.84Å; P683-W695 HydrophobicContact CB-CZ3 4.39Å; P683-W695 HydrophobicContact CG-CE3 4.49Å; P683-W695 HydrophobicContact CG-CH2 3.86Å; P683-W695 HydrophobicContact CG-CZ3 3.56Å; P683-K698 PolarHBondContact O-NZ 3.49Å
684	K	96.4	Very high	92.8	Very high	130 Å²	130	91.9 Å²	91.9	57%	0.565	47%	0.467	S	S	*	.	S	Bend	trans	-69.2	-50.4	-178.2	-173.4	-164.9	-179.2	-163.1	0	110.8	E466 K698 D717	E466-K684 VanDerWaalsContact CD-N 3.35Å; E466-K684 PolarHBondContact OE1-N 3.06Å; E466-K684 PolarHBondContact OE2-N 2.97Å; E466-K684 VanDerWaalsContact OE2-N 3.15Å; K684-K698 WeakPolarHBondContact O-CE 3.4Å; K684-K698 PolarHBondContact O-NZ 3.41Å; K684-D717 PolarHBondContact NZ-O 2.71Å
685	L	97.8	Very high	92.8	Very high	8 Å²	8	87.1 Å²	87.1	4%	0.042	45%	0.446	C	S	.	.	S	Bend	trans	-107.8	-18.3	-164	-57.2	177.6	0	0	0	113.7	T447 I464 E466 Y697 K698	T447-L685 HydrophobicContact CG2-CD1 4.25Å; I464-L685 HydrophobicContact CG2-CD1 3.57Å; E466-L685 PolarHBondContact OE2-N 2.83Å; L685-Y697 HydrophobicContact CB-CD2 4.43Å; L685-Y697 HydrophobicContact CB-CE2 4.25Å; L685-Y697 WeakPolarHBondContact O-CD2 3.35Å; L685-K698 WeakPolarHBondContact O-CG 3Å; L685-K698 PolarHBondContact O-N 3.07Å
686	F	98.1	Very high	92.7	Very high	2 Å²	2	82.5 Å²	82.5	1%	0.009	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.2	-178	-64.2	-97.5	0	0	0	112.9	I464 E466 V468 A476 W695 T696 Y697 K698	I464-F686 HydrophobicContact CG2-CE2 4.18Å; I464-F686 HydrophobicContact CG2-CZ 4.37Å; E466-F686 HydrophobicContact CB-CD2 3.59Å; E466-F686 HydrophobicContact CB-CE2 3.8Å; V468-F686 HydrophobicContact CG1-CB 3.83Å; V468-F686 HydrophobicContact CG1-CD2 4.5Å; V468-F686 HydrophobicContact CG1-CG 4.33Å; A476-F686 HydrophobicContact CB-CB 4.24Å; A476-F686 HydrophobicContact CB-CD1 3.6Å; A476-F686 HydrophobicContact CB-CD2 4.16Å; A476-F686 HydrophobicContact CB-CE1 3.93Å; A476-F686 HydrophobicContact CB-CE2 4.46Å; A476-F686 HydrophobicContact CB-CG 3.73Å; A476-F686 HydrophobicContact CB-CZ 4.36Å; F686-W695 HydrophobicContact CB-CE3 4.03Å; F686-T696 CarbonylContact C-O 3.58Å; F686-T696 VanDerWaalsContact CA-O 3.24Å; F686-T696 WeakPolarHBondContact CA-O 3.1Å; F686-Y697 HydrophobicContact CE1-CD2 4.24Å; F686-Y697 HydrophobicContact CE2-CD2 4.41Å; F686-Y697 HydrophobicContact CZ-CD2 4.11Å; F686-K698 WeakPolarHBondContact O-CE 3.31Å
687	Q	96.4	Very high	92.9	Very high	106 Å²	106	80.3 Å²	80.3	50%	0.495	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.6	175.3	67.1	-174.2	24.7	0	0	110.3	W695 T696 K698	Q687-W695 VanDerWaalsContact C-CE3 3.46Å; Q687-W695 WeakPolarHBondContact O-CA 3.35Å; Q687-T696 VanDerWaalsContact CG-OG1 3.24Å; Q687-T696 WeakPolarHBondContact CG-OG1 3.26Å; Q687-T696 PolarHBondContact N-O 2.86Å; Q687-T696 PolarHBondContact O-N 2.76Å; Q687-T696 PolarHBondContact O-OG1 3.01Å; Q687-K698 HydrophobicContact CB-CG 4.19Å; Q687-K698 HydrophobicContact CG-CG 4.28Å
688	E	95.1	Very high	93	Very high	100 Å²	100	82.1 Å²	82.1	47%	0.467	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.3	175.4	-163	160.3	-127.8	0	0	109.5	W695	E688-W695 HydrophobicContact CB-CD2 4.07Å; E688-W695 HydrophobicContact CB-CE3 4.12Å; E688-W695 HydrophobicContact CB-CH2 3.76Å; E688-W695 HydrophobicContact CB-CZ2 3.67Å; E688-W695 HydrophobicContact CB-CZ3 3.95Å; E688-W695 VanDerWaalsContact CD-CZ2 3.42Å; E688-W695 HydrophobicContact CG-CD2 4.39Å; E688-W695 HydrophobicContact CG-CZ2 3.92Å; E688-W695 WeakPolarHBondContact OE1-CZ2 3.22Å; E688-W695 PolarHBondContact OE1-NE1 2.86Å
689	D	89.8	Confident	93.3	Very high	49 Å²	49	76.8 Å²	76.8	26%	0.262	39%	0.39	S	S	.	.			trans	-73.1	120.2	166.4	172.5	-13.6	0	0	0	108.6	D691 T692 S693 E694	D689-D691 VanDerWaalsContact C-N 3.28Å; D689-D691 PolarHBondContact O-N 3.03Å; D689-D691 PolarHBondContact OD1-N 2.82Å; D689-T692 VanDerWaalsContact CB-OG1 3.29Å; D689-T692 WeakPolarHBondContact CB-OG1 3.46Å; D689-T692 PolarHBondContact OD1-N 2.98Å; D689-T692 WeakPolarHBondContact OD2-CB 3.45Å; D689-T692 VanDerWaalsContact OD2-CG2 3.27Å; D689-T692 WeakPolarHBondContact OD2-CG2 3.49Å; D689-T692 PolarHBondContact OD2-OG1 2.85Å; D689-S693 VanDerWaalsContact O-CA 3.22Å; D689-S693 WeakPolarHBondContact O-CA 3.48Å; D689-S693 PolarHBondContact O-N 3.21Å; D689-E694 PolarHBondContact N-O 3.46Å
690	P	87.9	Confident	93.3	Very high	118 Å²	118	72.1 Å²	72.1	77%	0.766	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.2	-175.2	30.5	-36.5	0	0	0	113.8
691	D	88.1	Confident	93.5	Very high	152 Å²	152	68.7 Å²	68.7	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-35.4	-178.1	-68.7	-36.1	0	0	0	111.6	D689	D689-D691 VanDerWaalsContact C-N 3.28Å; D689-D691 PolarHBondContact O-N 3.03Å; D689-D691 PolarHBondContact OD1-N 2.82Å
692	T	86.1	Confident	93.3	Very high	74 Å²	74	67.8 Å²	67.8	45%	0.454	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-17.5	-179.2	67.4	0	0	0	0	114.6	D689 E694	D689-T692 VanDerWaalsContact CB-OG1 3.29Å; D689-T692 WeakPolarHBondContact CB-OG1 3.46Å; D689-T692 PolarHBondContact OD1-N 2.98Å; D689-T692 WeakPolarHBondContact OD2-CB 3.45Å; D689-T692 VanDerWaalsContact OD2-CG2 3.27Å; D689-T692 WeakPolarHBondContact OD2-CG2 3.49Å; D689-T692 PolarHBondContact OD2-OG1 2.85Å; T692-E694 PolarHBondContact O-N 2.91Å; T692-E694 WeakPolarHBondContact OG1-CB 3.33Å; T692-E694 PolarHBondContact OG1-N 3Å
693	S	86.6	Confident	93.3	Very high	82 Å²	82	66.8 Å²	66.8	57%	0.573	35%	0.345	S	S	*	.			trans	58.5	23.1	-167.8	-48.9	0	0	0	0	114.2	D689	D689-S693 VanDerWaalsContact O-CA 3.22Å; D689-S693 WeakPolarHBondContact O-CA 3.48Å; D689-S693 PolarHBondContact O-N 3.21Å
694	E	89.4	Confident	93.1	Very high	66 Å²	66	70 Å²	70	31%	0.308	37%	0.365	S	S	.	.			trans	-92.8	145.8	174.8	-65.2	-167.6	-171.8	0	0	112.1	R512 D689 T692	R512-E694 IonicContact CZ-OE1 2.7Å; R512-E694 IonicContact CZ-OE2 3.23Å; R512-E694 IonicContact NE-OE1 3.73Å; R512-E694 IonicContact NE-OE2 3.23Å; R512-E694 PolarHBondContact NE-OE2 3.45Å; R512-E694 IonicContact NH2-OE1 3.05Å; R512-E694 PolarHBondContact NH2-OE1 2.92Å; R512-E694 IonicContact NH2-OE2 2.82Å; R512-E694 PolarHBondContact NH2-OE2 3.49Å; D689-E694 PolarHBondContact N-O 3.46Å; T692-E694 PolarHBondContact O-N 2.91Å; T692-E694 WeakPolarHBondContact OG1-CB 3.33Å; T692-E694 PolarHBondContact OG1-N 3Å
695	W	94.6	Very high	93	Very high	25 Å²	25	65.9 Å²	65.9	10%	0.095	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.3	-179.2	-71.3	79	0	0	0	111.3	V468 A476 P683 F686 Q687 E688	V468-W695 HydrophobicContact CB-CD2 3.86Å; V468-W695 HydrophobicContact CB-CE3 3.78Å; V468-W695 HydrophobicContact CB-CH2 4.01Å; V468-W695 HydrophobicContact CB-CZ2 4.1Å; V468-W695 HydrophobicContact CB-CZ3 3.88Å; V468-W695 HydrophobicContact CG1-CD2 4.06Å; V468-W695 HydrophobicContact CG1-CE3 3.67Å; V468-W695 HydrophobicContact CG1-CZ3 4.03Å; V468-W695 HydrophobicContact CG2-CD2 3.65Å; V468-W695 HydrophobicContact CG2-CE3 4.1Å; V468-W695 HydrophobicContact CG2-CG 3.96Å; V468-W695 HydrophobicContact CG2-CZ2 4.14Å; A476-W695 HydrophobicContact CB-CB 3.79Å; A476-W695 HydrophobicContact CB-CG 4.41Å; P683-W695 HydrophobicContact CB-CZ3 4.39Å; P683-W695 HydrophobicContact CG-CE3 4.49Å; P683-W695 HydrophobicContact CG-CH2 3.86Å; P683-W695 HydrophobicContact CG-CZ3 3.56Å; F686-W695 HydrophobicContact CB-CE3 4.03Å; Q687-W695 VanDerWaalsContact C-CE3 3.46Å; Q687-W695 WeakPolarHBondContact O-CA 3.35Å; E688-W695 HydrophobicContact CB-CD2 4.07Å; E688-W695 HydrophobicContact CB-CE3 4.12Å; E688-W695 HydrophobicContact CB-CH2 3.76Å; E688-W695 HydrophobicContact CB-CZ2 3.67Å; E688-W695 HydrophobicContact CB-CZ3 3.95Å; E688-W695 VanDerWaalsContact CD-CZ2 3.42Å; E688-W695 HydrophobicContact CG-CD2 4.39Å; E688-W695 HydrophobicContact CG-CZ2 3.92Å; E688-W695 WeakPolarHBondContact OE1-CZ2 3.22Å; E688-W695 PolarHBondContact OE1-NE1 2.86Å
696	T	94.9	Very high	92.8	Very high	41 Å²	41	69 Å²	69	25%	0.252	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.7	-180	57.4	0	0	0	0	111	F686 Q687	F686-T696 CarbonylContact C-O 3.58Å; F686-T696 VanDerWaalsContact CA-O 3.24Å; F686-T696 WeakPolarHBondContact CA-O 3.1Å; Q687-T696 VanDerWaalsContact CG-OG1 3.24Å; Q687-T696 WeakPolarHBondContact CG-OG1 3.26Å; Q687-T696 PolarHBondContact N-O 2.86Å; Q687-T696 PolarHBondContact O-N 2.76Å; Q687-T696 PolarHBondContact O-OG1 3.01Å
697	Y	97.6	Very high	92.4	Very high	5 Å²	5	73.7 Å²	73.7	2%	0.02	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.6	175.6	176.2	-118.1	0	0	0	110	I464 Y478 L685 F686 H699 L700 G718 V719 I720	I464-Y697 HydrophobicContact CB-CE2 4.43Å; I464-Y697 HydrophobicContact CG1-CE2 4.47Å; I464-Y697 HydrophobicContact CG2-CE2 3.99Å; Y478-Y697 AromaticContact CD1-CD1 3.21Å; Y478-Y697 HydrophobicContact CD1-CD1 3.21Å; Y478-Y697 HydrophobicContact CD1-CD2 4.42Å; Y478-Y697 AromaticContact CD1-CE1 3.52Å; Y478-Y697 HydrophobicContact CD1-CE1 3.52Å; Y478-Y697 AromaticContact CD1-CG 3.71Å; Y478-Y697 HydrophobicContact CD1-CG 3.71Å; Y478-Y697 AromaticContact CE1-CD1 3.53Å; Y478-Y697 HydrophobicContact CE1-CD1 3.53Å; Y478-Y697 AromaticContact CE1-CE1 3.72Å; Y478-Y697 HydrophobicContact CE1-CE1 3.72Å; Y478-Y697 HydrophobicContact CE1-CG 4.42Å; Y478-Y697 AromaticContact CG-CD1 3.81Å; Y478-Y697 HydrophobicContact CG-CD1 3.81Å; Y478-Y697 HydrophobicContact CG-CE1 4.5Å; Y478-Y697 AromaticContact CG-CG 3.89Å; Y478-Y697 HydrophobicContact CG-CG 3.89Å; L685-Y697 HydrophobicContact CB-CD2 4.43Å; L685-Y697 HydrophobicContact CB-CE2 4.25Å; L685-Y697 WeakPolarHBondContact O-CD2 3.35Å; F686-Y697 HydrophobicContact CE1-CD2 4.24Å; F686-Y697 HydrophobicContact CE2-CD2 4.41Å; F686-Y697 HydrophobicContact CZ-CD2 4.11Å; Y697-H699 VanDerWaalsContact CD1-C 3.45Å; Y697-H699 HydrophobicContact CD1-CB 4.28Å; Y697-H699 VanDerWaalsContact CE1-C 3.49Å; Y697-H699 HydrophobicContact CE1-CB 3.66Å; Y697-H699 WeakPolarHBondContact CE1-O 3.49Å; Y697-H699 PolarHBondContact O-N 3.23Å; Y697-H699 VanDerWaalsContact O-N 3.13Å; Y697-L700 HydrophobicContact CD1-CB 4.48Å; Y697-L700 VanDerWaalsContact O-CB 3.27Å; Y697-L700 WeakPolarHBondContact O-CB 3.49Å; Y697-L700 PolarHBondContact O-N 2.97Å; Y697-G718 PolarHBondContact OH-O 3.49Å; Y697-V719 VanDerWaalsContact OH-CA 3.3Å; Y697-V719 WeakPolarHBondContact OH-CA 3.38Å; Y697-I720 PolarHBondContact OH-N 3.44Å
698	K	97.2	Very high	92.2	Very high	77 Å²	77	76.3 Å²	76.3	34%	0.335	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.1	-171.9	-67.1	179.3	-168.9	174.1	0	114.4	P683 K684 L685 F686 Q687	P683-K698 PolarHBondContact O-NZ 3.49Å; K684-K698 WeakPolarHBondContact O-CE 3.4Å; K684-K698 PolarHBondContact O-NZ 3.41Å; L685-K698 WeakPolarHBondContact O-CG 3Å; L685-K698 PolarHBondContact O-N 3.07Å; F686-K698 WeakPolarHBondContact O-CE 3.31Å; Q687-K698 HydrophobicContact CB-CG 4.19Å; Q687-K698 HydrophobicContact CG-CG 4.28Å
699	H	96.1	Very high	92	Very high	82 Å²	82	72.8 Å²	72.8	38%	0.38	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	33.2	-178	-48.7	-73.2	0	0	0	111.3	Y697 D701 V719	Y697-H699 VanDerWaalsContact CD1-C 3.45Å; Y697-H699 HydrophobicContact CD1-CB 4.28Å; Y697-H699 VanDerWaalsContact CE1-C 3.49Å; Y697-H699 HydrophobicContact CE1-CB 3.66Å; Y697-H699 WeakPolarHBondContact CE1-O 3.49Å; Y697-H699 PolarHBondContact O-N 3.23Å; Y697-H699 VanDerWaalsContact O-N 3.13Å; H699-D701 PolarHBondContact O-N 2.96Å; H699-V719 HydrophobicContact CB-CG1 3.99Å
700	L	93.2	Very high	92.2	Very high	63 Å²	63	70.8 Å²	70.8	33%	0.33	38%	0.384	S	S	.	.			trans	-63.3	115.3	176.6	173.2	63.7	0	0	0	111.1	Y478 Y697 T702	Y478-L700 HydrophobicContact CD2-CD1 4.39Å; Y478-L700 HydrophobicContact CE2-CD1 3.49Å; Y478-L700 VanDerWaalsContact CE2-CD1 3.49Å; Y697-L700 HydrophobicContact CD1-CB 4.48Å; Y697-L700 VanDerWaalsContact O-CB 3.27Å; Y697-L700 WeakPolarHBondContact O-CB 3.49Å; Y697-L700 PolarHBondContact O-N 2.97Å; L700-T702 HydrophobicContact CD1-CG2 3.76Å; L700-T702 HydrophobicContact CD2-CG2 4.23Å; L700-T702 HydrophobicContact CG-CG2 3.95Å
701	D	92	Very high	92.3	Very high	34 Å²	34	69.3 Å²	69.3	18%	0.182	37%	0.369	C	S	.	.			trans	-109.6	111.5	167.7	-171.5	6.2	0	0	0	109.2	R482 H699 R703	R482-D701 IonicContact CZ-OD2 2.68Å; R482-D701 IonicContact NE-OD2 3.33Å; R482-D701 IonicContact NH1-OD2 3.6Å; R482-D701 PolarHBondContact NH1-OD2 3.49Å; H699-D701 PolarHBondContact O-N 2.96Å; D701-R703 VanDerWaalsContact OD1-CB 3.29Å; D701-R703 WeakPolarHBondContact OD1-CB 3.25Å; D701-R703 VanDerWaalsContact OD1-CG 3.27Å; D701-R703 WeakPolarHBondContact OD1-CG 3.33Å; D701-R703 IonicContact OD1-CZ 2.72Å; D701-R703 PolarHBondContact OD1-N 3.3Å; D701-R703 VanDerWaalsContact OD1-N 3.09Å; D701-R703 IonicContact OD1-NE 3.71Å; D701-R703 PolarHBondContact OD1-NE 3.32Å; D701-R703 IonicContact OD1-NH2 3.22Å; D701-R703 IonicContact OD2-CZ 3.21Å; D701-R703 IonicContact OD2-NE 3.88Å; D701-R703 PolarHBondContact OD2-NE 2.88Å; D701-R703 IonicContact OD2-NH2 3.08Å; D701-R703 PolarHBondContact OD2-NH2 3.43Å
702	T	91.1	Very high	92.5	Very high	67 Å²	67	64.8 Å²	64.8	41%	0.411	35%	0.346	S	S	.	.			trans	-100.8	4	176.1	51.3	0	0	0	0	113.1	L700	L700-T702 HydrophobicContact CD1-CG2 3.76Å; L700-T702 HydrophobicContact CD2-CG2 4.23Å; L700-T702 HydrophobicContact CG-CG2 3.95Å
703	R	93.1	Very high	92.9	Very high	115 Å²	115	62.2 Å²	62.2	43%	0.434	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-64	138.9	176.8	-62.3	175.6	-62.4	147	6.3	109.4	R482 D701 E724	R482-R703 PolarHBondContact NE-O 2.88Å; D701-R703 VanDerWaalsContact OD1-CB 3.29Å; D701-R703 WeakPolarHBondContact OD1-CB 3.25Å; D701-R703 VanDerWaalsContact OD1-CG 3.27Å; D701-R703 WeakPolarHBondContact OD1-CG 3.33Å; D701-R703 IonicContact OD1-CZ 2.72Å; D701-R703 PolarHBondContact OD1-N 3.3Å; D701-R703 VanDerWaalsContact OD1-N 3.09Å; D701-R703 IonicContact OD1-NE 3.71Å; D701-R703 PolarHBondContact OD1-NE 3.32Å; D701-R703 IonicContact OD1-NH2 3.22Å; D701-R703 IonicContact OD2-CZ 3.21Å; D701-R703 IonicContact OD2-NE 3.88Å; D701-R703 PolarHBondContact OD2-NE 2.88Å; D701-R703 IonicContact OD2-NH2 3.08Å; D701-R703 PolarHBondContact OD2-NH2 3.43Å; R703-E724 IonicContact CZ-OE1 3.92Å; R703-E724 IonicContact NH1-OE1 2.65Å; R703-E724 PolarHBondContact NH1-OE1 2.95Å; R703-E724 IonicContact NH1-OE2 2.68Å; R703-E724 PolarHBondContact NH1-OE2 2.93Å; R703-E724 IonicContact NH2-OE1 3.45Å; R703-E724 PolarHBondContact NH2-OE1 3.46Å
704	P	93.3	Very high	93.3	Very high	73 Å²	73	59.5 Å²	59.5	47%	0.474	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-50.6	155.9	168.9	-26.1	33.9	0	0	0	112.2	R482 D706	R482-P704 PolarHBondContact NE-O 3.03Å; R482-P704 PolarHBondContact NH2-O 3.26Å; P704-D706 PolarHBondContact O-N 3.47Å
705	W	93.8	Very high	93.6	Very high	45 Å²	45	56.4 Å²	56.4	17%	0.17	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-70.2	129.9	164	-172.6	-93.5	0	0	0	109.5	R482 K483 C710 Q713 T722	R482-W705 HydrophobicContact CB-CE3 4.16Å; R482-W705 HydrophobicContact CG-CB 4.41Å; R482-W705 HydrophobicContact CG-CE3 4.07Å; R482-W705 WeakPolarHBondContact O-CB 3.34Å; K483-W705 HydrophobicContact CB-CD2 3.88Å; K483-W705 HydrophobicContact CB-CE3 4.02Å; K483-W705 HydrophobicContact CB-CG 4.29Å; K483-W705 HydrophobicContact CB-CZ2 4.49Å; K483-W705 HydrophobicContact CB-CZ3 4.39Å; K483-W705 HydrophobicContact CD-CZ2 4.24Å; K483-W705 HydrophobicContact CG-CD2 4.26Å; K483-W705 HydrophobicContact CG-CZ2 4.46Å; W705-C710 HydrophobicContact CD2-CB 3.67Å; W705-C710 VanDerWaalsContact CE2-CB 3.44Å; W705-C710 HydrophobicContact CE3-CB 3.79Å; W705-C710 HydrophobicContact CG-CB 4.42Å; W705-C710 HydrophobicContact CH2-CB 3.56Å; W705-C710 HydrophobicContact CZ2-CB 3.41Å; W705-C710 VanDerWaalsContact CZ2-CB 3.41Å; W705-C710 HydrophobicContact CZ3-CB 3.74Å; W705-Q713 HydrophobicContact CZ3-CB 4.07Å; W705-T722 HydrophobicContact CE3-CG2 4.37Å; W705-T722 HydrophobicContact CH2-CG2 4.05Å; W705-T722 HydrophobicContact CZ3-CG2 3.57Å
706	D	93.5	Very high	93.6	Very high	72 Å²	72	58.4 Å²	58.4	39%	0.385	30%	0.302	S	S	.	.			trans	-105	110.7	173.4	176.1	-17.5	0	0	0	107.3	P704 E708 A709 C710	P704-D706 PolarHBondContact O-N 3.47Å; D706-E708 PolarHBondContact O-N 3.36Å; D706-E708 WeakPolarHBondContact OD1-CA 3.39Å; D706-E708 WeakPolarHBondContact OD1-CB 3.24Å; D706-E708 PolarHBondContact OD1-N 2.9Å; D706-A709 HydrophobicContact CB-CB 4.03Å; D706-A709 PolarHBondContact O-N 3.42Å; D706-A709 PolarHBondContact OD1-N 3.12Å; D706-A709 VanDerWaalsContact OD2-CB 3.23Å; D706-A709 WeakPolarHBondContact OD2-CB 3.48Å; D706-C710 WeakPolarHBondContact O-CA 3.38Å; D706-C710 WeakPolarHBondContact O-CB 3.3Å; D706-C710 PolarHBondContact O-N 3.08Å; D706-C710 PolarHBondContact O-SG 3.04Å
707	P	91.4	Very high	93.5	Very high	102 Å²	102	60.7 Å²	60.7	66%	0.662	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21	179.2	-21.7	33.9	0	0	0	114.4
708	E	91.5	Very high	93.3	Very high	161 Å²	161	60.6 Å²	60.6	75%	0.752	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-41	177.1	-64.6	-168.5	-169.4	0	0	111.4	D706 K725	D706-E708 PolarHBondContact O-N 3.36Å; D706-E708 WeakPolarHBondContact OD1-CA 3.39Å; D706-E708 WeakPolarHBondContact OD1-CB 3.24Å; D706-E708 PolarHBondContact OD1-N 2.9Å; E708-K725 WeakPolarHBondContact O-CD 3.26Å; E708-K725 WeakPolarHBondContact O-CE 3.31Å; E708-K725 PolarHBondContact O-NZ 3.32Å
709	A	91.6	Very high	93.3	Very high	25 Å²	25	58.3 Å²	58.3	21%	0.207	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-36.9	-180	0	0	0	0	0	114.5	D706 E724 K725	D706-A709 HydrophobicContact CB-CB 4.03Å; D706-A709 PolarHBondContact O-N 3.42Å; D706-A709 PolarHBondContact OD1-N 3.12Å; D706-A709 VanDerWaalsContact OD2-CB 3.23Å; D706-A709 WeakPolarHBondContact OD2-CB 3.48Å; A709-E724 CarbonylContact O-C 3.44Å; A709-E724 VanDerWaalsContact O-CA 3.26Å; A709-E724 WeakPolarHBondContact O-CA 3.34Å; A709-K725 PolarHBondContact O-N 2.9Å
710	C	92.9	Very high	93.3	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.054	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.3	-170.8	-55.4	0	0	0	0	111.9	R482 W705 D706 T722	R482-C710 PolarHBondContact NH2-SG 3.49Å; W705-C710 HydrophobicContact CD2-CB 3.67Å; W705-C710 VanDerWaalsContact CE2-CB 3.44Å; W705-C710 HydrophobicContact CE3-CB 3.79Å; W705-C710 HydrophobicContact CG-CB 4.42Å; W705-C710 HydrophobicContact CH2-CB 3.56Å; W705-C710 HydrophobicContact CZ2-CB 3.41Å; W705-C710 VanDerWaalsContact CZ2-CB 3.41Å; W705-C710 HydrophobicContact CZ3-CB 3.74Å; D706-C710 WeakPolarHBondContact O-CA 3.38Å; D706-C710 WeakPolarHBondContact O-CB 3.3Å; D706-C710 PolarHBondContact O-N 3.08Å; D706-C710 PolarHBondContact O-SG 3.04Å; C710-T722 HydrophobicContact CB-CG2 3.96Å
711	L	91.1	Very high	93.4	Very high	86 Å²	86	56.4 Å²	56.4	45%	0.45	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-60	178.8	-69.1	172.2	0	0	0	111.9	Q723 K725	L711-Q723 WeakPolarHBondContact CB-O 3.48Å; L711-Q723 HydrophobicContact CD1-CG 4.32Å; L711-Q723 PolarHBondContact N-O 3.41Å; L711-K725 HydrophobicContact CD1-CG 3.95Å; L711-K725 HydrophobicContact CD2-CD 4.14Å; L711-K725 VanDerWaalsContact CD2-CE 3.49Å; L711-K725 HydrophobicContact CD2-CG 3.63Å; L711-K725 HydrophobicContact CG-CG 3.64Å
712	V	91.7	Very high	93.5	Very high	57 Å²	57	56.1 Å²	56.1	35%	0.345	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.5	-174.6	58.7	0	0	0	0	111.1	P330 T722 Q723	P330-V712 HydrophobicContact CG-CG1 4.24Å; V712-T722 CarbonylContact O-C 3.44Å; V712-T722 WeakPolarHBondContact O-CA 3.16Å; V712-Q723 HydrophobicContact CG1-CB 3.85Å; V712-Q723 PolarHBondContact O-N 2.9Å
713	Q	94.3	Very high	93.5	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132	167.6	-167.6	174.4	23.8	0	0	109	F462 C480 W705 I720 Q721	F462-Q713 HydrophobicContact CD2-CG 4.35Å; F462-Q713 HydrophobicContact CE2-CB 4.33Å; F462-Q713 HydrophobicContact CE2-CG 4.02Å; C480-Q713 PolarHBondContact SG-NE2 3.22Å; W705-Q713 HydrophobicContact CZ3-CB 4.07Å; Q713-I720 HydrophobicContact CG-CG2 3.94Å; Q713-I720 VanDerWaalsContact NE2-CG2 3.28Å; Q713-Q721 WeakPolarHBondContact CA-O 3.27Å; Q713-Q721 WeakPolarHBondContact CG-O 3.42Å
714	F	95.1	Very high	93.4	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	168.1	-179.8	67.4	-85.3	0	0	0	111.4	P330 A332 I720 Q721 Q723	P330-F714 HydrophobicContact CB-CD1 4Å; P330-F714 HydrophobicContact CB-CD2 4.46Å; P330-F714 HydrophobicContact CB-CE1 3.84Å; P330-F714 HydrophobicContact CB-CE2 4.32Å; P330-F714 HydrophobicContact CB-CG 4.31Å; P330-F714 HydrophobicContact CB-CZ 4.02Å; A332-F714 HydrophobicContact CB-CB 3.93Å; A332-F714 HydrophobicContact CB-CD2 3.98Å; A332-F714 HydrophobicContact CB-CG 4.3Å; F714-I720 WeakPolarHBondContact O-CA 3.49Å; F714-Q721 HydrophobicContact CE1-CB 4.05Å; F714-Q721 HydrophobicContact CE2-CB 4.12Å; F714-Q721 HydrophobicContact CZ-CB 3.81Å; F714-Q721 PolarHBondContact N-O 2.79Å; F714-Q721 PolarHBondContact O-N 2.93Å; F714-Q723 HydrophobicContact CE1-CB 4.25Å
715	E	95.7	Very high	93	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.1	173.6	-172.5	-85.4	-173	0	0	109.8	A332 T333 Y335 R449 F462 I464 G718 V719 I720	A332-E715 CarbonylContact C-O 3.6Å; A332-E715 VanDerWaalsContact CA-O 3.31Å; A332-E715 WeakPolarHBondContact CA-O 3.41Å; T333-E715 WeakPolarHBondContact CB-OE2 3.31Å; T333-E715 PolarHBondContact N-O 2.97Å; T333-E715 PolarHBondContact OG1-OE2 2.98Å; Y335-E715 HydrophobicContact CE2-CB 4.22Å; Y335-E715 WeakPolarHBondContact OH-CG 3.46Å; Y335-E715 PolarHBondContact OH-OE2 3.19Å; R449-E715 WeakPolarHBondContact CD-OE1 3.48Å; R449-E715 IonicContact CZ-OE1 3.01Å; R449-E715 IonicContact NE-OE1 2.77Å; R449-E715 IonicContact NH1-OE1 2.78Å; R449-E715 PolarHBondContact NH1-OE1 3.47Å; R449-E715 IonicContact NH1-OE2 2.71Å; R449-E715 PolarHBondContact NH1-OE2 3.44Å; F462-E715 HydrophobicContact CD1-CB 3.64Å; F462-E715 HydrophobicContact CE1-CB 3.8Å; F462-E715 HydrophobicContact CG-CB 4.44Å; I464-E715 HydrophobicContact CD1-CG 4.01Å; E715-G718 WeakPolarHBondContact OE1-CA 3.48Å; E715-G718 PolarHBondContact OE1-N 3.38Å; E715-V719 CarbonylContact C-O 3.58Å; E715-V719 WeakPolarHBondContact CA-O 3.28Å; E715-I720 HydrophobicContact CB-CG1 4.5Å; E715-I720 HydrophobicContact CG-CG1 4.32Å
716	K	94.6	Very high	91.8	Very high	67 Å²	67	62.7 Å²	62.7	29%	0.291	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127.4	167.1	-164.3	-172.7	-169.2	176.5	0	110.6	Q331 G718 V719	Q331-K716 WeakPolarHBondContact O-CD 3.31Å; Q331-K716 VanDerWaalsContact O-CE 3.32Å; Q331-K716 WeakPolarHBondContact O-CE 3.26Å; Q331-K716 VanDerWaalsContact O-CG 3.3Å; Q331-K716 WeakPolarHBondContact O-CG 3.14Å; K716-G718 PolarHBondContact O-N 2.9Å; K716-V719 PolarHBondContact N-O 2.99Å; K716-V719 WeakPolarHBondContact O-CA 3.44Å; K716-V719 VanDerWaalsContact O-CB 3.29Å; K716-V719 WeakPolarHBondContact O-CB 3.5Å; K716-V719 PolarHBondContact O-N 3.48Å
717	D	92.1	Very high	90	Very high	89 Å²	89	67.1 Å²	67.1	48%	0.476	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	25.9	170.9	-58.8	-44.6	0	0	0	117	T333 K684	T333-D717 PolarHBondContact OG1-N 2.76Å; K684-D717 PolarHBondContact NZ-O 2.71Å
718	G	94.1	Very high	87.8	Confident	2 Å²	2	73.1 Å²	73.1	2%	0.021	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	-0.5	-173.9	0	0	0	0	0	114.6	Y697 E715 K716	Y697-G718 PolarHBondContact OH-O 3.49Å; E715-G718 WeakPolarHBondContact OE1-CA 3.48Å; E715-G718 PolarHBondContact OE1-N 3.38Å; K716-G718 PolarHBondContact O-N 2.9Å
719	V	96.7	Very high	85.4	Confident	30 Å²	30	73 Å²	73	18%	0.182	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.9	-176	-171.4	0	0	0	0	110.3	Y697 H699 E715 K716 Q721	Y697-V719 VanDerWaalsContact OH-CA 3.3Å; Y697-V719 WeakPolarHBondContact OH-CA 3.38Å; H699-V719 HydrophobicContact CB-CG1 3.99Å; E715-V719 CarbonylContact C-O 3.58Å; E715-V719 WeakPolarHBondContact CA-O 3.28Å; K716-V719 PolarHBondContact N-O 2.99Å; K716-V719 WeakPolarHBondContact O-CA 3.44Å; K716-V719 VanDerWaalsContact O-CB 3.29Å; K716-V719 WeakPolarHBondContact O-CB 3.5Å; K716-V719 PolarHBondContact O-N 3.48Å; V719-Q721 HydrophobicContact CG1-CG 3.84Å
720	I	96.8	Very high	82.9	Confident	15 Å²	15	80.9 Å²	80.9	8%	0.077	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.2	171.1	-61.6	165.5	0	0	0	108.5	F462 I464 Y478 C480 Y697 Q713 F714 E715	F462-I720 HydrophobicContact CB-CD1 3.63Å; F462-I720 HydrophobicContact CB-CG1 3.97Å; F462-I720 HydrophobicContact CD2-CG2 4.47Å; F462-I720 HydrophobicContact CG-CD1 4.5Å; F462-I720 HydrophobicContact CG-CG1 4.38Å; I464-I720 HydrophobicContact CG1-CD1 3.86Å; I464-I720 HydrophobicContact CG1-CG1 4.19Å; Y478-I720 HydrophobicContact CD1-CD1 3.95Å; Y478-I720 HydrophobicContact CE1-CD1 3.94Å; C480-I720 HydrophobicContact CB-CD1 4.2Å; Y697-I720 PolarHBondContact OH-N 3.44Å; Q713-I720 HydrophobicContact CG-CG2 3.94Å; Q713-I720 VanDerWaalsContact NE2-CG2 3.28Å; F714-I720 WeakPolarHBondContact O-CA 3.49Å; E715-I720 HydrophobicContact CB-CG1 4.5Å; E715-I720 HydrophobicContact CG-CG1 4.32Å
721	Q	94.7	Very high	80.2	Confident	90 Å²	90	87.1 Å²	87.1	42%	0.421	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.1	-176.6	-60.5	-171.7	-14.7	0	0	110.6	Q713 F714 V719	Q713-Q721 WeakPolarHBondContact CA-O 3.27Å; Q713-Q721 WeakPolarHBondContact CG-O 3.42Å; F714-Q721 HydrophobicContact CE1-CB 4.05Å; F714-Q721 HydrophobicContact CE2-CB 4.12Å; F714-Q721 HydrophobicContact CZ-CB 3.81Å; F714-Q721 PolarHBondContact N-O 2.79Å; F714-Q721 PolarHBondContact O-N 2.93Å; V719-Q721 HydrophobicContact CG1-CG 3.84Å
722	T	93.9	Very high	77.5	Confident	28 Å²	28	85.9 Å²	85.9	17%	0.172	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127	170.7	-58.8	0	0	0	0	108.8	R482 W705 C710 V712 E724	R482-T722 PolarHBondContact NH1-OG1 2.84Å; W705-T722 HydrophobicContact CE3-CG2 4.37Å; W705-T722 HydrophobicContact CH2-CG2 4.05Å; W705-T722 HydrophobicContact CZ3-CG2 3.57Å; C710-T722 HydrophobicContact CB-CG2 3.96Å; V712-T722 CarbonylContact O-C 3.44Å; V712-T722 WeakPolarHBondContact O-CA 3.16Å; T722-E724 HydrophobicContact CG2-CG 4.18Å
723	Q	91.2	Very high	74.9	Confident	73 Å²	73	90.5 Å²	90.5	34%	0.341	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.1	170.2	-168.8	175.1	3.9	0	0	108.4	L711 V712 F714	L711-Q723 WeakPolarHBondContact CB-O 3.48Å; L711-Q723 HydrophobicContact CD1-CG 4.32Å; L711-Q723 PolarHBondContact N-O 3.41Å; V712-Q723 HydrophobicContact CG1-CB 3.85Å; V712-Q723 PolarHBondContact O-N 2.9Å; F714-Q723 HydrophobicContact CE1-CB 4.25Å
724	E	90.6	Very high	71.7	Confident	76 Å²	76	96 Å²	96	36%	0.355	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.8	178.4	-67.5	172.2	-169.3	0	0	109	R482 R703 A709 T722 M726	R482-E724 IonicContact CZ-OE1 2.75Å; R482-E724 IonicContact NH1-OE1 3.69Å; R482-E724 PolarHBondContact NH1-OE1 2.76Å; R482-E724 VanDerWaalsContact NH1-OE1 3.08Å; R482-E724 IonicContact NH2-OE1 2.73Å; R703-E724 IonicContact CZ-OE1 3.92Å; R703-E724 IonicContact NH1-OE1 2.65Å; R703-E724 PolarHBondContact NH1-OE1 2.95Å; R703-E724 IonicContact NH1-OE2 2.68Å; R703-E724 PolarHBondContact NH1-OE2 2.93Å; R703-E724 IonicContact NH2-OE1 3.45Å; R703-E724 PolarHBondContact NH2-OE1 3.46Å; A709-E724 CarbonylContact O-C 3.44Å; A709-E724 VanDerWaalsContact O-CA 3.26Å; A709-E724 WeakPolarHBondContact O-CA 3.34Å; T722-E724 HydrophobicContact CG2-CG 4.18Å; E724-M726 PolarHBondContact O-N 3.19Å
725	K	85.6	Confident	68.7	Low	105 Å²	105	104 Å²	104	46%	0.457	51%	0.511	S	S	.	.			trans	-62	123.7	179.4	-68.4	-176.4	-162.6	151.8	0	108.6	E708 A709 L711 Q727	E708-K725 WeakPolarHBondContact O-CD 3.26Å; E708-K725 WeakPolarHBondContact O-CE 3.31Å; E708-K725 PolarHBondContact O-NZ 3.32Å; A709-K725 PolarHBondContact O-N 2.9Å; L711-K725 HydrophobicContact CD1-CG 3.95Å; L711-K725 HydrophobicContact CD2-CD 4.14Å; L711-K725 VanDerWaalsContact CD2-CE 3.49Å; L711-K725 HydrophobicContact CD2-CG 3.63Å; L711-K725 HydrophobicContact CG-CG 3.64Å; K725-Q727 PolarHBondContact O-N 2.94Å
726	M	68.1	Low	65.4	Low	184 Å²	184	111.4 Å²	111.4	91%	0.906	55%	0.55	S	S	*	*			trans	-66	97.2	171.8	-169.9	179.4	-167.1	0	0	108.9	E724 R728	E724-M726 PolarHBondContact O-N 3.19Å; M726-R728 PolarHBondContact O-N 3.4Å
727	Q	57	Low	62.3	Low	164 Å²	164	114.2 Å²	114.2	77%	0.766	57%	0.568	S	S	*	*			trans	-58.1	113.9	168.2	-73.7	-172.8	-9.1	0	0	107.8	K725 Q729	K725-Q727 PolarHBondContact O-N 2.94Å; Q727-Q729 VanDerWaalsContact C-N 3.25Å; Q727-Q729 PolarHBondContact O-N 2.82Å
728	R	45	Very low	59.1	Low	229 Å²	229	114.9 Å²	114.9	86%	0.864	58%	0.58	S	S	*	*			trans	-62.4	95.1	161.7	-80.1	-175.9	173.6	173.4	-0.9	106.7	M726 H730	M726-R728 PolarHBondContact O-N 3.4Å; R728-H730 PolarHBondContact O-N 3.01Å
729	Q	41	Very low	55.9	Low	157 Å²	157	125.8 Å²	125.8	73%	0.734	62%	0.621	S	S	*	*			trans	-56.4	114.3	166.4	-77.8	-172	-19.1	0	0	107.4	Q727 N731	Q727-Q729 VanDerWaalsContact C-N 3.25Å; Q727-Q729 PolarHBondContact O-N 2.82Å; Q729-N731 PolarHBondContact O-N 2.96Å; Q729-N731 VanDerWaalsContact O-N 3.11Å
730	H	38.3	Very low	52.6	Low	191 Å²	191	131.7 Å²	131.7	88%	0.884	66%	0.657	S	S	*	*			trans	-57.7	117.5	156.4	-101	-83	0	0	0	106.2	R728 G732	R728-H730 PolarHBondContact O-N 3.01Å; H730-G732 PolarHBondContact O-N 2.85Å
731	N	36	Very low	49.3	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	70%	0.696	S	S	*	*			trans	-68.4	77	-174.2	-88.5	-28.6	0	0	0	111.9	Q729 L733	Q729-N731 PolarHBondContact O-N 2.96Å; Q729-N731 VanDerWaalsContact O-N 3.11Å; N731-L733 PolarHBondContact O-N 2.93Å
732	G	34.2	Very low	46.3	Very low	61 Å²	61	146.3 Å²	146.3	63%	0.629	72%	0.715	S	S	*	*			trans	-67.2	82.9	159.3	0	0	0	0	0	109.2	H730 T734	H730-G732 PolarHBondContact O-N 2.85Å; G732-T734 PolarHBondContact O-N 2.86Å; G732-T734 PolarHBondContact O-OG1 3.1Å
733	L	37.9	Very low	43.2	Very low	153 Å²	153	152.5 Å²	152.5	80%	0.801	74%	0.742	S	S	*	*			trans	-56	94.8	179.7	-92.7	153.4	0	0	0	111.2	N731	N731-L733 PolarHBondContact O-N 2.93Å
734	T	27.4	Very low	40.1	Very low	137 Å²	137	158 Å²	158	84%	0.84	76%	0.764	S	S	*	*			trans	-121.9	80.7	175.2	-22.4	0	0	0	0	108.7	G732	G732-T734 PolarHBondContact O-N 2.86Å; G732-T734 PolarHBondContact O-OG1 3.1Å
735	Y	31.1	Very low	37.1	Very low	194 Å²	194	159.2 Å²	159.2	76%	0.761	79%	0.787	S	S	*	*			trans	-72.5	130.9	179.3	-139.3	-88.9	0	0	0	110
736	N	28.1	Very low	34.3	Very low	156 Å²	156	162.6 Å²	162.6	83%	0.834	81%	0.805	S	S	*	*			trans	-153.7	148.7	153	-134.1	-22.7	0	0	0	114.2
737	N	28.7	Very low	32.4	Very low	125 Å²	125	160.6 Å²	160.6	67%	0.668	80%	0.803	S	S	*	*			trans	-92.5	136.1	-158.5	-63.7	-50.1	0	0	0	114.8
738	S	25.4	Very low	30.9	Very low	103 Å²	103	160.2 Å²	160.2	72%	0.72	81%	0.806	S	S	*	*				176.4	150	123.2	52.5	0	0	0	0	108.3
739	W	25.9	Very low	30.1	Very low	232 Å²	232	153.2 Å²	153.2	88%	0.879	81%	0.805	S	S	*	*			cis	-139.4	144.8	22.6	-78.5	57.5	0	0	0	112.4
740	T	28.8	Very low	29.5	Very low	154 Å²	154	152.1 Å²	152.1	95%	0.945	80%	0.804	S	S	*	*			trans	-167.5	151	136.2	6.6	0	0	0	0	109.9
741	R	27.3	Very low	29.1	Very low	236 Å²	236	148.9 Å²	148.9	89%	0.891	79%	0.789	S	S	*	*			trans	-154	97.2	-172.9	-175.7	-162.9	-163.8	-165.3	7.9	112
742	Q	30.1	Very low	28.9	Very low	175 Å²	175	151.6 Å²	151.6	82%	0.818	79%	0.789	S	S	*	*			trans	-167.4	149.8	153.5	-111.4	168.6	-12	0	0	112.7
743	H	30.5	Very low	28.6	Very low	159 Å²	159	157 Å²	157	74%	0.736	80%	0.795	S	S	*	*			trans	31.5	105	168.8	-59.2	-77.4	0	0	0	119.2
744	K	25.3	Very low	28.2	Very low	187 Å²	187	154.7 Å²	154.7	81%	0.813	79%	0.792	S	S	*	*				81	90.1	55.4	-168.1	-163.2	178.9	-171.5	0	114.2
745	A	27.5	Very low	28.3	Very low	102 Å²	102	153.3 Å²	153.3	84%	0.843	79%	0.787	S	S	*	*			trans	-144.3	154.8	147.9	0	0	0	0	0	108.3
746	E	26.2	Very low	28.4	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	79%	0.787	S	S	*	*			trans	-103.5	155.3	-171.8	-65.7	158.4	115.8	0	0	112.3
747	V	28.2	Very low	28.8	Very low	142 Å²	142	150.3 Å²	150.3	86%	0.861	79%	0.787	S	S	*	*				-176.7	152.8	124	145.6	0	0	0	0	111.3
748	N	27.1	Very low	29.9	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	79%	0.786	S	S	*	*			trans	-53	152.2	-173.9	-60	-54	0	0	0	117
749	G	27.8	Very low	30.3	Very low	81 Å²	81	148.9 Å²	148.9	84%	0.835	78%	0.784	S	S	*	*			trans	-167.7	34.5	177.4	0	0	0	0	0	118.3
750	N	27.5	Very low	30.4	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	78%	0.781	S	S	*	*			trans	-16.9	143.9	176	-92.8	-39.2	0	0	0	122.6
751	H	30.8	Very low	30.5	Very low	122 Å²	122	141.9 Å²	141.9	57%	0.565	77%	0.771	S	S	*	*			trans	85.2	117.1	140.4	-71.9	6.8	0	0	0	119.7
752	R	30.7	Very low	30.8	Very low	196 Å²	196	135.7 Å²	135.7	74%	0.74	76%	0.764	S	S	*	*				81.2	144.2	93.8	-70.7	175.2	175.5	166.6	-1.8	113.1
753	K	29.1	Very low	31.1	Very low	175 Å²	175	134.9 Å²	134.9	76%	0.761	76%	0.76	S	S	*	*			cis	-166.8	168.6	6	-128.5	-179.8	178.2	-170.8	0	110.5
754	S	28	Very low	31.2	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	76%	0.758	S	S	*	*			trans	64.1	134.5	161.3	27.3	0	0	0	0	117.5
755	S	30.2	Very low	31.5	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	76%	0.756	S	S	*	*				76	131	53.8	-154.6	0	0	0	0	112
756	S	33.1	Very low	31.9	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	75%	0.754	S	S	*	*			cis	-151.5	158.9	20.4	-31	0	0	0	0	115.1
757	Q	36.2	Very low	32.3	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	75%	0.752	S	S	*	*			trans	-34.2	175	146.1	-88.4	-171.5	-33	0	0	117.6
758	P	52	Low	32.6	Very low	99 Å²	99	129.3 Å²	129.3	64%	0.643	75%	0.748	S	S	*	*			cis	-142.9	-174	-24.8	34.2	-13.3	0	0	0	114.6
759	S	33.7	Very low	32.9	Very low	98 Å²	98	127 Å²	127	69%	0.685	74%	0.744	S	S	*	*				139.6	132.4	113.2	67.8	0	0	0	0	118.3
760	T	28.2	Very low	33.2	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	74%	0.744	S	S	*	*			trans	32.1	151.7	138.8	53.2	0	0	0	0	123.2
761	C	30.4	Very low	33.9	Very low	107 Å²	107	129 Å²	129	72%	0.723	75%	0.745	S	S	*	*			cis	-177.8	178.7	-14	-168.1	0	0	0	0	108.5
762	S	34.1	Very low	34.6	Very low	106 Å²	106	129 Å²	129	74%	0.741	76%	0.756	S	S	*	*			trans	65.3	158.3	154.4	50.7	0	0	0	0	120.2
763	Q	37.1	Very low	34.7	Very low	158 Å²	158	128 Å²	128	74%	0.738	76%	0.76	S	S	*	*			cis	-174.1	147.7	-42.2	-123.5	-175.7	-1.4	0	0	109.7
764	N	31.9	Very low	35.7	Very low	128 Å²	128	124.9 Å²	124.9	68%	0.684	76%	0.757	S	S	*	*			trans	65.3	166.3	158.7	-46.4	-19.2	0	0	0	116.4
765	T	32	Very low	35.8	Very low	126 Å²	126	124.3 Å²	124.3	77%	0.773	75%	0.753	S	S	*	*			cis	-153.6	171.4	3.7	-15.8	0	0	0	0	112.3
766	E	34.8	Very low	36	Very low	172 Å²	172	126.9 Å²	126.9	80%	0.804	75%	0.753	S	S	*	*			trans	-48.5	154.9	-176.9	-54.8	157.9	141.2	0	0	120.7
767	S	34.5	Very low	36	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	75%	0.754	S	S	*	*				152.1	126.2	105.5	57.4	0	0	0	0	119.4
768	S	35.6	Very low	35.7	Very low	110 Å²	110	127 Å²	127	77%	0.769	76%	0.756	S	S	*	*			trans	59.3	139.5	136.3	-56.3	0	0	0	0	128
769	S	33.8	Very low	34.8	Very low	109 Å²	109	127 Å²	127	76%	0.762	76%	0.758	S	S	*	*			trans	71.7	150.2	145	63.5	0	0	0	0	120.6
770	T	33.8	Very low	34.8	Very low	134 Å²	134	129.8 Å²	129.8	82%	0.822	77%	0.765	S	S	*	*			cis	-162.7	165.9	-9.1	14.5	0	0	0	0	111.6
771	T	42.4	Very low	35.2	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	76%	0.76	S	S	*	*			trans	-74.1	164.4	175.5	-20.4	0	0	0	0	114.7
772	P	45.3	Very low	35.7	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	76%	0.76	S	S	*	*				-152.3	-174.9	114.9	42	-25.3	0	0	0	116.9
773	E	32.3	Very low	35.7	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.822	76%	0.759	S	S	*	*			trans	-126.6	-154.1	179.6	-58.3	175.4	61.8	0	0	108.8
774	P	50.4	Low	35.7	Very low	109 Å²	109	132 Å²	132	71%	0.708	77%	0.765	S	S	*	*			cis	-144.9	-168.8	-5.8	40.4	-17	0	0	0	117.6
775	S	31	Very low	36.3	Very low	93 Å²	93	130.1 Å²	130.1	65%	0.65	76%	0.761	S	S	*	*			trans	80.5	118.8	137.7	65.4	0	0	0	0	125.7
776	H	32.8	Very low	36.6	Very low	162 Å²	162	132.2 Å²	132.2	75%	0.75	77%	0.768	S	S	*	*				68.1	125.8	128.5	-74.5	-98.5	0	0	0	125.6
777	E	33.9	Very low	37.1	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	77%	0.771	S	S	*	*			trans	56.8	117.1	135.2	-68.6	172.6	-137	0	0	123.2
778	S	29.7	Very low	37.6	Very low	127 Å²	127	131.4 Å²	131.4	89%	0.888	76%	0.76	S	S	*	*				177.2	178	94.7	44.2	0	0	0	0	112.6
779	S	33.5	Very low	38.2	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	76%	0.756	S	S	*	*			trans	-94	145.9	-174.3	174.9	0	0	0	0	112.6
780	D	33.7	Very low	39.1	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	76%	0.755	S	S	*	*				-174.8	-176.7	114.2	-91.5	-0.9	0	0	0	113.5
781	N	36.3	Very low	40	Very low	133 Å²	133	131.3 Å²	131.3	71%	0.711	74%	0.739	S	S	*	*			trans	-122.6	179.3	-139.2	179.3	41	0	0	0	114.9
782	E	40.3	Very low	40.4	Very low	151 Å²	151	128.8 Å²	128.8	71%	0.706	73%	0.726	S	S	*	*			trans	81.7	136.1	172.2	-59.8	-59.8	141.1	0	0	117.8
783	G	34.6	Very low	41	Very low	71 Å²	71	130 Å²	130	73%	0.732	72%	0.719	S	S	*	*			trans	166.6	1.6	174.4	0	0	0	0	0	123.7
784	F	36.4	Very low	42.4	Very low	195 Å²	195	126.4 Å²	126.4	86%	0.855	70%	0.702	S	S	*	*			trans	58.3	92.7	168.9	-83.5	-92.5	0	0	0	121.3
785	S	44.9	Very low	43.1	Very low	88 Å²	88	124 Å²	124	62%	0.615	69%	0.692	S	S	*	*				44.9	119	122.2	179.1	0	0	0	0	122.3
786	N	39.6	Very low	44.7	Very low	170 Å²	170	126.8 Å²	126.8	91%	0.909	69%	0.692	S	S	*	*				-143	143.7	123.3	-105.2	-39.5	0	0	0	110.3
787	Q	44	Very low	46.5	Very low	186 Å²	186	122.8 Å²	122.8	87%	0.869	68%	0.677	S	S	*	*			trans	-94.1	141.4	-163.3	-69	-175.2	-9	0	0	114.8
788	C	44.6	Very low	48.5	Very low	82 Å²	82	119.5 Å²	119.5	55%	0.554	66%	0.663	S	S	*	*			trans	-104	133	172.2	178.7	0	0	0	0	111.1	R790 C791	C788-R790 PolarHBondContact O-N 2.72Å; C788-C791 PolarHBondContact O-N 3.31Å
789	A	49.8	Very low	50.8	Low	83 Å²	83	115.5 Å²	115.5	69%	0.686	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-27.6	-177.6	0	0	0	0	0	114.1	C791 S792	A789-C791 PolarHBondContact O-N 2.82Å; A789-S792 WeakPolarHBondContact O-CB 3.22Å; A789-S792 PolarHBondContact O-N 2.94Å; A789-S792 PolarHBondContact O-OG 3.38Å
790	R	52.1	Low	52.8	Low	195 Å²	195	116.5 Å²	116.5	74%	0.736	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-43.8	-176.8	-155.5	172.2	-170.7	160.1	2.6	112.2	C788 S792 K793	C788-R790 PolarHBondContact O-N 2.72Å; R790-S792 PolarHBondContact O-N 3.45Å; R790-K793 PolarHBondContact O-N 3.03Å; R790-K793 VanDerWaalsContact O-N 3.13Å
791	C	52.8	Low	54.8	Low	74 Å²	74	113.9 Å²	113.9	50%	0.5	62%	0.62	S	S	.	*	H	α-helix	trans	-63.4	-24.5	179.6	-53.3	0	0	0	0	113.2	C788 A789 K793 A795	C788-C791 PolarHBondContact O-N 3.31Å; A789-C791 PolarHBondContact O-N 2.82Å; C791-K793 PolarHBondContact O-N 3.36Å; C791-A795 WeakPolarHBondContact O-CB 3.4Å; C791-A795 PolarHBondContact O-N 3.35Å
792	S	51.3	Low	56.9	Low	69 Å²	69	113.3 Å²	113.3	48%	0.483	61%	0.613	S	S	.	*	H	α-helix	trans	-71.3	-16.9	178.6	77.6	0	0	0	0	113.8	A789 R790 K796	A789-S792 WeakPolarHBondContact O-CB 3.22Å; A789-S792 PolarHBondContact O-N 2.94Å; A789-S792 PolarHBondContact O-OG 3.38Å; R790-S792 PolarHBondContact O-N 3.45Å; S792-K796 WeakPolarHBondContact O-CD 3.42Å; S792-K796 WeakPolarHBondContact O-CG 3.4Å
793	K	58	Low	58.9	Low	146 Å²	146	110.8 Å²	110.8	64%	0.635	61%	0.608	S	S	*	*	H	α-helix	trans	-86.4	-50.1	174.5	-166.3	176.7	179.4	-176.6	0	110.7	R790 C791 A795 K796 D797	R790-K793 PolarHBondContact O-N 3.03Å; R790-K793 VanDerWaalsContact O-N 3.13Å; C791-K793 PolarHBondContact O-N 3.36Å; K793-A795 VanDerWaalsContact C-N 3.27Å; K793-A795 PolarHBondContact O-N 2.9Å; K793-K796 WeakPolarHBondContact O-CA 3.13Å; K793-K796 WeakPolarHBondContact O-CB 3.43Å; K793-K796 PolarHBondContact O-N 3.43Å; K793-D797 PolarHBondContact O-N 2.58Å
794	E	60.6	Low	60.7	Low	101 Å²	101	110.4 Å²	110.4	47%	0.472	60%	0.595	S	S	.	*	H	α-helix	trans	-54	-42.1	175.6	-68	157.3	175.5	0	0	111.7	K796 D797 I798	E794-K796 VanDerWaalsContact C-N 3.31Å; E794-K796 PolarHBondContact O-N 3.05Å; E794-D797 PolarHBondContact O-N 3.14Å; E794-I798 WeakPolarHBondContact O-CB 3.13Å; E794-I798 WeakPolarHBondContact O-CD1 3.44Å; E794-I798 VanDerWaalsContact O-CG1 3.23Å; E794-I798 WeakPolarHBondContact O-CG1 3.13Å; E794-I798 PolarHBondContact O-N 2.88Å
795	A	64.2	Low	62.8	Low	60 Å²	60	104.9 Å²	104.9	50%	0.496	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-32.9	175.2	0	0	0	0	0	114	C791 K793 A799	C791-A795 WeakPolarHBondContact O-CB 3.4Å; C791-A795 PolarHBondContact O-N 3.35Å; K793-A795 VanDerWaalsContact C-N 3.27Å; K793-A795 PolarHBondContact O-N 2.9Å; A795-A799 WeakPolarHBondContact O-CB 3.32Å; A795-A799 PolarHBondContact O-N 3.42Å
796	K	65.5	Low	64.5	Low	150 Å²	150	104.9 Å²	104.9	65%	0.652	57%	0.57	S	S	*	*	H	α-helix	trans	-76.6	-40.7	176.2	-70.7	173.2	-177.5	178.3	0	111.5	S792 K793 E794 I798 A799 L800	S792-K796 WeakPolarHBondContact O-CD 3.42Å; S792-K796 WeakPolarHBondContact O-CG 3.4Å; K793-K796 WeakPolarHBondContact O-CA 3.13Å; K793-K796 WeakPolarHBondContact O-CB 3.43Å; K793-K796 PolarHBondContact O-N 3.43Å; E794-K796 VanDerWaalsContact C-N 3.31Å; E794-K796 PolarHBondContact O-N 3.05Å; K796-I798 VanDerWaalsContact C-N 3.35Å; K796-A799 PolarHBondContact O-N 3.04Å; K796-L800 PolarHBondContact O-N 2.88Å
797	D	69.6	Low	66.5	Low	79 Å²	79	100.2 Å²	100.2	42%	0.422	55%	0.55	S	S	.	*	H	α-helix	trans	-65.7	-39.6	177.9	-62	-29.6	0	0	0	110.6	K793 E794 L800 I801	K793-D797 PolarHBondContact O-N 2.58Å; E794-D797 PolarHBondContact O-N 3.14Å; D797-L800 WeakPolarHBondContact O-CB 3.38Å; D797-L800 PolarHBondContact O-N 3.03Å; D797-I801 WeakPolarHBondContact O-CD1 3.34Å; D797-I801 VanDerWaalsContact O-CG1 3.29Å; D797-I801 WeakPolarHBondContact O-CG1 3.13Å; D797-I801 PolarHBondContact O-N 3.36Å
798	I	77.4	Confident	67.9	Low	94 Å²	94	96.6 Å²	96.6	48%	0.482	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-44.9	171.8	-69.8	165	0	0	0	111.6	E794 K796 L800 I801 Q802	E794-I798 WeakPolarHBondContact O-CB 3.13Å; E794-I798 WeakPolarHBondContact O-CD1 3.44Å; E794-I798 VanDerWaalsContact O-CG1 3.23Å; E794-I798 WeakPolarHBondContact O-CG1 3.13Å; E794-I798 PolarHBondContact O-N 2.88Å; K796-I798 VanDerWaalsContact C-N 3.35Å; I798-L800 VanDerWaalsContact C-N 3.3Å; I798-L800 PolarHBondContact O-N 3.01Å; I798-I801 PolarHBondContact O-N 3.06Å; I798-Q802 HydrophobicContact CG2-CG 4.48Å; I798-Q802 WeakPolarHBondContact O-CG 3.49Å; I798-Q802 PolarHBondContact O-N 3.4Å
799	A	76.5	Confident	69.5	Low	44 Å²	44	97.6 Å²	97.6	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-35.2	177.3	0	0	0	0	0	112.6	A795 K796 T803	A795-A799 WeakPolarHBondContact O-CB 3.32Å; A795-A799 PolarHBondContact O-N 3.42Å; K796-A799 PolarHBondContact O-N 3.04Å; A799-T803 WeakPolarHBondContact O-CB 3.36Å; A799-T803 PolarHBondContact O-N 3.01Å; A799-T803 PolarHBondContact O-OG1 2.95Å
800	L	75.8	Confident	71	Confident	119 Å²	119	100.1 Å²	100.1	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-66	-43.5	174.4	-161.3	78.8	0	0	0	111.6	K796 D797 I798 T803 S804	K796-L800 PolarHBondContact O-N 2.88Å; D797-L800 WeakPolarHBondContact O-CB 3.38Å; D797-L800 PolarHBondContact O-N 3.03Å; I798-L800 VanDerWaalsContact C-N 3.3Å; I798-L800 PolarHBondContact O-N 3.01Å; L800-T803 PolarHBondContact O-N 3.41Å; L800-S804 PolarHBondContact O-N 3.25Å; L800-S804 PolarHBondContact O-OG 2.86Å
801	I	75.6	Confident	71.9	Confident	101 Å²	101	94.2 Å²	94.2	52%	0.518	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.1	-69.8	163.7	0	0	0	110.7	D797 I798 T803 S804 I805	D797-I801 WeakPolarHBondContact O-CD1 3.34Å; D797-I801 VanDerWaalsContact O-CG1 3.29Å; D797-I801 WeakPolarHBondContact O-CG1 3.13Å; D797-I801 PolarHBondContact O-N 3.36Å; I798-I801 PolarHBondContact O-N 3.06Å; I801-T803 VanDerWaalsContact C-N 3.35Å; I801-T803 PolarHBondContact O-N 3.24Å; I801-S804 WeakPolarHBondContact O-CB 3.27Å; I801-S804 PolarHBondContact O-N 2.92Å; I801-I805 HydrophobicContact CG2-CD1 3.84Å; I801-I805 WeakPolarHBondContact O-CG1 3.17Å; I801-I805 PolarHBondContact O-N 3.05Å
802	Q	80.8	Confident	72.7	Confident	121 Å²	121	96.2 Å²	96.2	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-58.9	-44.9	175.9	-74.8	175.9	-31	0	0	111.9	I798 S804 I805 T806	I798-Q802 HydrophobicContact CG2-CG 4.48Å; I798-Q802 WeakPolarHBondContact O-CG 3.49Å; I798-Q802 PolarHBondContact O-N 3.4Å; Q802-S804 VanDerWaalsContact C-N 3.3Å; Q802-S804 PolarHBondContact O-N 3.47Å; Q802-I805 PolarHBondContact O-N 2.9Å; Q802-T806 PolarHBondContact O-N 2.87Å; Q802-T806 PolarHBondContact O-OG1 3.33Å
803	T	81.9	Confident	74	Confident	98 Å²	98	98.2 Å²	98.2	60%	0.601	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-40.9	176	-55.6	0	0	0	0	111.8	A799 L800 I801 T806 S807	A799-T803 WeakPolarHBondContact O-CB 3.36Å; A799-T803 PolarHBondContact O-N 3.01Å; A799-T803 PolarHBondContact O-OG1 2.95Å; L800-T803 PolarHBondContact O-N 3.41Å; I801-T803 VanDerWaalsContact C-N 3.35Å; I801-T803 PolarHBondContact O-N 3.24Å; T803-T806 PolarHBondContact O-N 2.92Å; T803-S807 PolarHBondContact O-N 3.28Å; T803-S807 VanDerWaalsContact O-N 3.14Å
804	S	73.8	Confident	74.8	Confident	64 Å²	64	94 Å²	94	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-42	175.9	-56.1	0	0	0	0	112.3	L800 I801 Q802 S807 I808	L800-S804 PolarHBondContact O-N 3.25Å; L800-S804 PolarHBondContact O-OG 2.86Å; I801-S804 WeakPolarHBondContact O-CB 3.27Å; I801-S804 PolarHBondContact O-N 2.92Å; Q802-S804 VanDerWaalsContact C-N 3.3Å; Q802-S804 PolarHBondContact O-N 3.47Å; S804-S807 WeakPolarHBondContact O-CB 3.46Å; S804-S807 PolarHBondContact O-N 3.06Å; S804-I808 WeakPolarHBondContact O-CG1 3.27Å; S804-I808 PolarHBondContact O-N 3.07Å
805	I	80.9	Confident	75.3	Confident	79 Å²	79	93.6 Å²	93.6	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-44.8	176.4	-69.6	165	0	0	0	110.9	I801 Q802 S807 I808 Q809	I801-I805 HydrophobicContact CG2-CD1 3.84Å; I801-I805 WeakPolarHBondContact O-CG1 3.17Å; I801-I805 PolarHBondContact O-N 3.05Å; Q802-I805 PolarHBondContact O-N 2.9Å; I805-S807 VanDerWaalsContact C-N 3.3Å; I805-S807 PolarHBondContact O-N 3.1Å; I805-I808 PolarHBondContact O-N 3.01Å; I805-Q809 HydrophobicContact CG2-CG 4.42Å; I805-Q809 WeakPolarHBondContact O-CG 3.34Å; I805-Q809 PolarHBondContact O-N 3.04Å
806	T	80.6	Confident	75.7	Confident	88 Å²	88	96.6 Å²	96.6	54%	0.54	51%	0.505	S	S	.	.	H	α-helix	trans	-61.7	-37.2	176.4	-52.2	0	0	0	0	112.2	Q802 T803 Q809 K810	Q802-T806 PolarHBondContact O-N 2.87Å; Q802-T806 PolarHBondContact O-OG1 3.33Å; T803-T806 PolarHBondContact O-N 2.92Å; T806-Q809 PolarHBondContact O-N 2.65Å; T806-K810 WeakPolarHBondContact O-CB 3.21Å; T806-K810 PolarHBondContact O-N 2.9Å
807	S	80.1	Confident	76.3	Confident	72 Å²	72	95.9 Å²	95.9	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-43.2	174.6	-168.4	0	0	0	0	112.6	T803 S804 I805 K810 T811	T803-S807 PolarHBondContact O-N 3.28Å; T803-S807 VanDerWaalsContact O-N 3.14Å; S804-S807 WeakPolarHBondContact O-CB 3.46Å; S804-S807 PolarHBondContact O-N 3.06Å; I805-S807 VanDerWaalsContact C-N 3.3Å; I805-S807 PolarHBondContact O-N 3.1Å; S807-K810 PolarHBondContact O-N 2.81Å; S807-T811 PolarHBondContact O-N 3.26Å; S807-T811 PolarHBondContact O-OG1 2.93Å
808	I	74.8	Confident	76.3	Confident	110 Å²	110	97.1 Å²	97.1	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-63.7	-46.3	176.3	-67	165	0	0	0	110.7	S804 I805 K810 T811 Q812	S804-I808 WeakPolarHBondContact O-CG1 3.27Å; S804-I808 PolarHBondContact O-N 3.07Å; I805-I808 PolarHBondContact O-N 3.01Å; I808-K810 VanDerWaalsContact C-N 3.34Å; I808-K810 PolarHBondContact O-N 3.07Å; I808-T811 WeakPolarHBondContact O-CB 3.25Å; I808-T811 PolarHBondContact O-N 2.69Å; I808-Q812 WeakPolarHBondContact O-CB 3.48Å; I808-Q812 PolarHBondContact O-N 3.4Å
809	Q	77.8	Confident	75.8	Confident	103 Å²	103	97.9 Å²	97.9	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177.5	-73.2	173.5	-15.5	0	0	112.2	I805 T806 Q812 Q813	I805-Q809 HydrophobicContact CG2-CG 4.42Å; I805-Q809 WeakPolarHBondContact O-CG 3.34Å; I805-Q809 PolarHBondContact O-N 3.04Å; T806-Q809 PolarHBondContact O-N 2.65Å; Q809-Q812 PolarHBondContact O-N 3.22Å; Q809-Q813 WeakPolarHBondContact O-CG 3.12Å; Q809-Q813 PolarHBondContact O-N 3.04Å
810	K	81.7	Confident	75.5	Confident	136 Å²	136	99.2 Å²	99.2	59%	0.591	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-48	174.8	-174.8	179.4	178.5	-177.4	0	111.6	T806 S807 I808 Q812 Q813 D814	T806-K810 WeakPolarHBondContact O-CB 3.21Å; T806-K810 PolarHBondContact O-N 2.9Å; S807-K810 PolarHBondContact O-N 2.81Å; I808-K810 VanDerWaalsContact C-N 3.34Å; I808-K810 PolarHBondContact O-N 3.07Å; K810-Q812 VanDerWaalsContact C-N 3.27Å; K810-Q812 PolarHBondContact O-N 2.93Å; K810-Q813 PolarHBondContact O-N 3.36Å; K810-Q813 VanDerWaalsContact O-N 3.16Å; K810-D814 PolarHBondContact O-N 2.93Å
811	T	71.3	Confident	75.2	Confident	71 Å²	71	96.3 Å²	96.3	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-58.9	-39.3	176.7	-53.3	0	0	0	0	111.7	S807 I808 D814 I815	S807-T811 PolarHBondContact O-N 3.26Å; S807-T811 PolarHBondContact O-OG1 2.93Å; I808-T811 WeakPolarHBondContact O-CB 3.25Å; I808-T811 PolarHBondContact O-N 2.69Å; T811-D814 PolarHBondContact O-N 3.34Å; T811-I815 HydrophobicContact CG2-CD1 4.21Å; T811-I815 WeakPolarHBondContact O-CG1 3.48Å; T811-I815 PolarHBondContact O-N 3.08Å
812	Q	68.6	Low	74.7	Confident	115 Å²	115	96 Å²	96	54%	0.537	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-38.4	177.8	-162.2	172.9	15	0	0	112.2	I808 Q809 K810 I815 Q816	I808-Q812 WeakPolarHBondContact O-CB 3.48Å; I808-Q812 PolarHBondContact O-N 3.4Å; Q809-Q812 PolarHBondContact O-N 3.22Å; K810-Q812 VanDerWaalsContact C-N 3.27Å; K810-Q812 PolarHBondContact O-N 2.93Å; Q812-I815 PolarHBondContact O-N 3.5Å; Q812-Q816 WeakPolarHBondContact O-CG 3.46Å; Q812-Q816 PolarHBondContact O-N 2.81Å
813	Q	77.9	Confident	74	Confident	111 Å²	111	92.2 Å²	92.2	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-36.8	172.3	-68.8	-179	4.5	0	0	112.9	Q809 K810 Q816 R817	Q809-Q813 WeakPolarHBondContact O-CG 3.12Å; Q809-Q813 PolarHBondContact O-N 3.04Å; K810-Q813 PolarHBondContact O-N 3.36Å; K810-Q813 VanDerWaalsContact O-N 3.16Å; Q813-Q816 PolarHBondContact O-N 2.72Å; Q813-R817 PolarHBondContact O-N 3.43Å
814	D	75.4	Confident	73	Confident	57 Å²	57	89.5 Å²	89.5	31%	0.305	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-42.5	175.4	-68.1	-30.4	0	0	0	111	K810 T811 R817 N818	K810-D814 PolarHBondContact O-N 2.93Å; T811-D814 PolarHBondContact O-N 3.34Å; D814-R817 PolarHBondContact O-N 2.85Å; D814-R817 IonicContact OD1-CZ 2.8Å; D814-R817 IonicContact OD1-NH1 3.47Å; D814-R817 PolarHBondContact OD1-NH1 3.04Å; D814-R817 IonicContact OD1-NH2 2.64Å; D814-R817 PolarHBondContact OD1-NH2 2.8Å; D814-N818 PolarHBondContact O-N 3.27Å; D814-N818 PolarHBondContact O-ND2 2.98Å
815	I	70.7	Confident	72.3	Confident	93 Å²	93	92.7 Å²	92.7	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-44.4	173.2	-68.8	165.1	0	0	0	111.3	T811 Q812 R817 N818 L819	T811-I815 HydrophobicContact CG2-CD1 4.21Å; T811-I815 WeakPolarHBondContact O-CG1 3.48Å; T811-I815 PolarHBondContact O-N 3.08Å; Q812-I815 PolarHBondContact O-N 3.5Å; I815-R817 PolarHBondContact O-N 3.05Å; I815-N818 PolarHBondContact O-N 3.14Å; I815-L819 HydrophobicContact CG2-CD1 4.03Å; I815-L819 WeakPolarHBondContact O-CG 3.49Å; I815-L819 PolarHBondContact O-N 3.43Å
816	Q	72.9	Confident	70.8	Confident	124 Å²	124	94.2 Å²	94.2	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-62.2	-41	177.1	-76.5	176.9	-20.8	0	0	112.6	Q812 Q813 L819 A820	Q812-Q816 WeakPolarHBondContact O-CG 3.46Å; Q812-Q816 PolarHBondContact O-N 2.81Å; Q813-Q816 PolarHBondContact O-N 2.72Å; Q816-L819 PolarHBondContact O-N 3.16Å; Q816-A820 PolarHBondContact O-N 3.47Å
817	R	77.3	Confident	69.3	Low	134 Å²	134	93.5 Å²	93.5	51%	0.506	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-39.3	174.4	-85.9	-178.7	-89.5	100.4	2.4	112.4	Q813 D814 I815 A820 A821	Q813-R817 PolarHBondContact O-N 3.43Å; D814-R817 PolarHBondContact O-N 2.85Å; D814-R817 IonicContact OD1-CZ 2.8Å; D814-R817 IonicContact OD1-NH1 3.47Å; D814-R817 PolarHBondContact OD1-NH1 3.04Å; D814-R817 IonicContact OD1-NH2 2.64Å; D814-R817 PolarHBondContact OD1-NH2 2.8Å; I815-R817 PolarHBondContact O-N 3.05Å; R817-A820 PolarHBondContact O-N 3.17Å; R817-A821 PolarHBondContact O-N 3.3Å
818	N	70.8	Confident	67.9	Low	105 Å²	105	99.9 Å²	99.9	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-39.9	175.8	-70.1	-22.1	0	0	0	112.6	D814 I815 A821 L822	D814-N818 PolarHBondContact O-N 3.27Å; D814-N818 PolarHBondContact O-ND2 2.98Å; I815-N818 PolarHBondContact O-N 3.14Å; N818-A821 PolarHBondContact O-N 2.64Å; N818-L822 PolarHBondContact O-N 2.7Å
819	L	66.9	Low	66.5	Low	111 Å²	111	100.7 Å²	100.7	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-39.5	174.6	-73.4	170.2	0	0	0	112.3	I815 Q816 L822 G823	I815-L819 HydrophobicContact CG2-CD1 4.03Å; I815-L819 WeakPolarHBondContact O-CG 3.49Å; I815-L819 PolarHBondContact O-N 3.43Å; Q816-L819 PolarHBondContact O-N 3.16Å; L819-L822 PolarHBondContact O-N 3.3Å; L819-G823 PolarHBondContact O-N 3.18Å
820	A	70.6	Confident	64.8	Low	72 Å²	72	105.6 Å²	105.6	60%	0.595	54%	0.541	S	S	*	.	H	α-helix	trans	-62.9	-41	174.2	0	0	0	0	0	112.2	Q816 R817 G823 G824	Q816-A820 PolarHBondContact O-N 3.47Å; R817-A820 PolarHBondContact O-N 3.17Å; A820-G823 PolarHBondContact O-N 2.89Å; A820-G824 PolarHBondContact O-N 2.82Å; A820-G824 VanDerWaalsContact O-N 3.08Å
821	A	69.1	Low	62.9	Low	58 Å²	58	107.1 Å²	107.1	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.8	0	0	0	0	0	112.5	R817 N818 G824 Q825	R817-A821 PolarHBondContact O-N 3.3Å; N818-A821 PolarHBondContact O-N 2.64Å; A821-G824 PolarHBondContact O-N 3.39Å; A821-Q825 PolarHBondContact O-N 3.14Å; A821-Q825 VanDerWaalsContact O-N 3.13Å
822	L	64.9	Low	61.6	Low	95 Å²	95	108.4 Å²	108.4	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-40.6	174.9	-77.4	163.7	0	0	0	112.3	N818 L819 G824 Q825 L826	N818-L822 PolarHBondContact O-N 2.7Å; L819-L822 PolarHBondContact O-N 3.3Å; L822-G824 VanDerWaalsContact C-N 3.31Å; L822-G824 PolarHBondContact O-N 2.96Å; L822-Q825 PolarHBondContact O-N 3.02Å; L822-L826 PolarHBondContact O-N 3.26Å
823	G	66	Low	60.3	Low	40 Å²	40	109 Å²	109	41%	0.412	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-40.3	173.4	0	0	0	0	0	112.8	L819 A820 Q825 L826 S827	L819-G823 PolarHBondContact O-N 3.18Å; A820-G823 PolarHBondContact O-N 2.89Å; G823-Q825 PolarHBondContact O-N 3.16Å; G823-L826 PolarHBondContact O-N 2.93Å; G823-S827 WeakPolarHBondContact O-CB 3.25Å; G823-S827 PolarHBondContact O-N 2.98Å
824	G	61.3	Low	58.5	Low	41 Å²	41	111.2 Å²	111.2	42%	0.423	58%	0.58	S	S	.	*	H	α-helix	trans	-64	-36.1	174.3	0	0	0	0	0	113.8	A820 A821 L822 R828	A820-G824 PolarHBondContact O-N 2.82Å; A820-G824 VanDerWaalsContact O-N 3.08Å; A821-G824 PolarHBondContact O-N 3.39Å; L822-G824 VanDerWaalsContact C-N 3.31Å; L822-G824 PolarHBondContact O-N 2.96Å; G824-R828 PolarHBondContact O-N 3.42Å
825	Q	58	Low	57	Low	132 Å²	132	113.2 Å²	113.2	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-70.7	-46.5	175.5	-70.4	-177.8	-14	0	0	112	A821 L822 G823 S827 R828 Q829	A821-Q825 PolarHBondContact O-N 3.14Å; A821-Q825 VanDerWaalsContact O-N 3.13Å; L822-Q825 PolarHBondContact O-N 3.02Å; G823-Q825 PolarHBondContact O-N 3.16Å; Q825-S827 VanDerWaalsContact C-N 3.28Å; Q825-S827 PolarHBondContact O-N 3.48Å; Q825-R828 PolarHBondContact O-N 2.78Å; Q825-R828 VanDerWaalsContact O-N 3.15Å; Q825-Q829 PolarHBondContact O-N 3.07Å
826	L	50.2	Low	55.6	Low	111 Å²	111	117.2 Å²	117.2	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-59.9	-36.4	175.4	-84.5	159.7	0	0	0	112.8	L822 G823 Q829 R830	L822-L826 PolarHBondContact O-N 3.26Å; G823-L826 PolarHBondContact O-N 2.93Å; L826-Q829 PolarHBondContact O-N 2.94Å; L826-R830 PolarHBondContact O-N 3.22Å; L826-R830 VanDerWaalsContact O-N 3.16Å
827	S	50	Low	54.4	Low	72 Å²	72	116.5 Å²	116.5	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-64.9	-40.9	175.1	-169.9	0	0	0	0	112.3	G823 Q825	G823-S827 WeakPolarHBondContact O-CB 3.25Å; G823-S827 PolarHBondContact O-N 2.98Å; Q825-S827 VanDerWaalsContact C-N 3.28Å; Q825-S827 PolarHBondContact O-N 3.48Å
828	R	49	Very low	52.9	Low	207 Å²	207	115.8 Å²	115.8	78%	0.781	63%	0.631	S	S	*	*	H	α-helix	trans	-65.5	-38.2	173.4	-80.4	-177	167.9	176.4	-3	112.7	G824 Q825 R830 H831	G824-R828 PolarHBondContact O-N 3.42Å; Q825-R828 PolarHBondContact O-N 2.78Å; Q825-R828 VanDerWaalsContact O-N 3.15Å; R828-R830 VanDerWaalsContact C-N 3.33Å; R828-R830 PolarHBondContact O-N 2.98Å; R828-H831 PolarHBondContact O-N 2.81Å
829	Q	46.5	Very low	52.3	Low	126 Å²	126	115 Å²	115	59%	0.589	63%	0.63	S	S	*	*	H	α-helix	trans	-71.2	-25.8	-178.2	-161.3	168.8	8.8	0	0	113.1	Q825 L826 H831 T832	Q825-Q829 PolarHBondContact O-N 3.07Å; L826-Q829 PolarHBondContact O-N 2.94Å; Q829-H831 VanDerWaalsContact C-N 3.29Å; Q829-H831 PolarHBondContact O-N 3.49Å; Q829-T832 PolarHBondContact O-OG1 2.8Å
830	R	42.2	Very low	51.6	Low	207 Å²	207	112.3 Å²	112.3	78%	0.781	63%	0.629	S	S	*	*	H	α-helix	trans	-68.8	-21.4	173.3	-84.8	-174.8	169.8	176.4	-2.5	114.7	L826 R828 T832	L826-R830 PolarHBondContact O-N 3.22Å; L826-R830 VanDerWaalsContact O-N 3.16Å; R828-R830 VanDerWaalsContact C-N 3.33Å; R828-R830 PolarHBondContact O-N 2.98Å; R830-T832 VanDerWaalsContact C-N 3.3Å; R830-T832 PolarHBondContact O-N 3.33Å
831	H	42.2	Very low	50.6	Low	167 Å²	167	118.8 Å²	118.8	77%	0.773	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	1.6	-179.5	-85.1	-66.9	0	0	0	114.5	R828 Q829	R828-H831 PolarHBondContact O-N 2.81Å; Q829-H831 VanDerWaalsContact C-N 3.29Å; Q829-H831 PolarHBondContact O-N 3.49Å
832	T	43.6	Very low	50.1	Low	98 Å²	98	121.1 Å²	121.1	60%	0.601	64%	0.639	S	S	*	*	S	Bend	trans	-106.7	-13.8	-179.5	47.5	0	0	0	0	115.5	Q829 R830	Q829-T832 PolarHBondContact O-OG1 2.8Å; R830-T832 VanDerWaalsContact C-N 3.3Å; R830-T832 PolarHBondContact O-N 3.33Å
833	D	41.3	Very low	49.8	Very low	127 Å²	127	119.7 Å²	119.7	68%	0.679	64%	0.636	S	S	*	*	S	Bend	trans	-96.9	-14.5	-172.5	-69.8	-11.2	0	0	0	114.6	S835	D833-S835 PolarHBondContact O-N 3.47Å
834	D	39.1	Very low	49.6	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	65%	0.647	S	S	*	*			trans	-76.7	52.7	-177.8	-88	-23.3	0	0	0	113.7
835	S	44.5	Very low	49.8	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	65%	0.652	S	S	*	*			trans	-151.1	46	176.2	66.2	0	0	0	0	117.5	D833	D833-S835 PolarHBondContact O-N 3.47Å
836	M	41.8	Very low	50.2	Low	177 Å²	177	124.8 Å²	124.8	87%	0.872	65%	0.646	S	S	*	*			trans	-121.1	85.2	165.2	-74.2	-109.9	74.3	0	0	111.8
837	S	46.5	Very low	51.2	Low	108 Å²	108	123 Å²	123	76%	0.755	64%	0.642	S	S	*	*			trans	-77.5	135.7	175	53.4	0	0	0	0	112.1	T839	S837-T839 PolarHBondContact O-N 2.76Å; S837-T839 VanDerWaalsContact O-N 3.14Å
838	L	47.4	Very low	52.4	Low	120 Å²	120	123.6 Å²	123.6	63%	0.628	64%	0.643	S	S	*	*			trans	-68.8	111.2	175.3	-86.5	77.2	0	0	0	110.1	H842	L838-H842 HydrophobicContact CD2-CB 4.21Å; L838-H842 HydrophobicContact CG-CB 4.47Å
839	T	57.8	Low	53.3	Low	88 Å²	88	118.5 Å²	118.5	54%	0.54	63%	0.63	S	S	.	*			trans	-67.9	144.5	170.8	56.1	0	0	0	0	110.8	S837 R841 H842	S837-T839 PolarHBondContact O-N 2.76Å; S837-T839 VanDerWaalsContact O-N 3.14Å; T839-R841 PolarHBondContact O-N 2.99Å; T839-H842 WeakPolarHBondContact O-CB 3.45Å; T839-H842 PolarHBondContact O-N 3.36Å
840	G	51.5	Low	54.3	Low	55 Å²	55	117.7 Å²	117.7	57%	0.567	63%	0.63	S	S	*	*	H	α-helix	trans	-56.2	-18.9	-167.3	0	0	0	0	0	116.8	H842 C843 L844	G840-H842 PolarHBondContact O-N 3.19Å; G840-C843 PolarHBondContact O-N 3.17Å; G840-L844 WeakPolarHBondContact O-CB 3.33Å; G840-L844 PolarHBondContact O-N 2.74Å
841	R	49.9	Very low	55.5	Low	207 Å²	207	113.4 Å²	113.4	78%	0.781	62%	0.622	S	S	*	*	H	α-helix	trans	-57.9	-35.8	170	-77.7	-179	169.6	166.2	-2.9	112.6	T839 L844 I845	T839-R841 PolarHBondContact O-N 2.99Å; R841-L844 PolarHBondContact O-N 2.85Å; R841-I845 WeakPolarHBondContact O-CG1 3.4Å; R841-I845 PolarHBondContact O-N 3.26Å
842	H	59.6	Low	56.4	Low	108 Å²	108	108 Å²	108	50%	0.5	60%	0.603	S	S	.	*	H	α-helix	trans	-70.8	-43	-178.6	-69.1	-119.2	0	0	0	111.3	L838 T839 G840 L844 I845 L846	L838-H842 HydrophobicContact CD2-CB 4.21Å; L838-H842 HydrophobicContact CG-CB 4.47Å; T839-H842 WeakPolarHBondContact O-CB 3.45Å; T839-H842 PolarHBondContact O-N 3.36Å; G840-H842 PolarHBondContact O-N 3.19Å; H842-L844 VanDerWaalsContact C-N 3.34Å; H842-L844 PolarHBondContact O-N 3.24Å; H842-I845 PolarHBondContact O-N 3.24Å; H842-L846 PolarHBondContact O-N 2.83Å; H842-L846 VanDerWaalsContact O-N 3.07Å
843	C	58	Low	57	Low	65 Å²	65	109.2 Å²	109.2	44%	0.439	60%	0.602	S	S	.	*	H	α-helix	trans	-62.5	-40.4	171.9	-65.3	0	0	0	0	111.9	G840 I845 L846 C847	G840-C843 PolarHBondContact O-N 3.17Å; C843-I845 PolarHBondContact O-N 3.41Å; C843-L846 PolarHBondContact O-N 3.06Å; C843-C847 PolarHBondContact O-N 3.44Å; C843-C847 PolarHBondContact O-SG 3.44Å
844	L	60.9	Low	58	Low	120 Å²	120	108.9 Å²	108.9	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-64.4	-40.6	-180	-157.5	155.5	0	0	0	111.6	G840 R841 H842 C847 V848	G840-L844 WeakPolarHBondContact O-CB 3.33Å; G840-L844 PolarHBondContact O-N 2.74Å; R841-L844 PolarHBondContact O-N 2.85Å; H842-L844 VanDerWaalsContact C-N 3.34Å; H842-L844 PolarHBondContact O-N 3.24Å; L844-C847 PolarHBondContact O-N 3.21Å; L844-V848 HydrophobicContact CD2-CG2 4.13Å; L844-V848 WeakPolarHBondContact O-CG2 3.25Å; L844-V848 PolarHBondContact O-N 2.84Å
845	I	66.3	Low	59	Low	104 Å²	104	106.8 Å²	106.8	53%	0.533	59%	0.588	S	S	.	*	H	α-helix	trans	-62.2	-45.1	172.4	-68.5	163.7	0	0	0	111.2	R841 H842 C843 C847 V848 L849	R841-I845 WeakPolarHBondContact O-CG1 3.4Å; R841-I845 PolarHBondContact O-N 3.26Å; H842-I845 PolarHBondContact O-N 3.24Å; C843-I845 PolarHBondContact O-N 3.41Å; I845-C847 PolarHBondContact O-N 3.03Å; I845-V848 PolarHBondContact O-N 3.18Å; I845-L849 HydrophobicContact CG2-CD1 3.98Å; I845-L849 WeakPolarHBondContact O-CG 3.41Å; I845-L849 PolarHBondContact O-N 3.43Å
846	L	67.1	Low	59.7	Low	95 Å²	95	106.7 Å²	106.7	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-60.1	-43.9	176.3	-96	157.7	0	0	0	112.6	H842 C843 L849 L850	H842-L846 PolarHBondContact O-N 2.83Å; H842-L846 VanDerWaalsContact O-N 3.07Å; C843-L846 PolarHBondContact O-N 3.06Å; L846-L849 PolarHBondContact O-N 3.25Å; L846-L850 WeakPolarHBondContact O-CB 3.49Å; L846-L850 WeakPolarHBondContact O-CG 3.43Å; L846-L850 PolarHBondContact O-N 3.37Å
847	C	70.1	Confident	60.1	Low	73 Å²	73	103.1 Å²	103.1	49%	0.493	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-41.3	176	-69.1	0	0	0	0	112.4	C843 L844 I845 L850 L851	C843-C847 PolarHBondContact O-N 3.44Å; C843-C847 PolarHBondContact O-SG 3.44Å; L844-C847 PolarHBondContact O-N 3.21Å; I845-C847 PolarHBondContact O-N 3.03Å; C847-L850 PolarHBondContact O-N 2.7Å; C847-L851 WeakPolarHBondContact O-CB 3.3Å; C847-L851 VanDerWaalsContact O-CG 3.31Å; C847-L851 WeakPolarHBondContact O-CG 3.05Å; C847-L851 PolarHBondContact O-N 2.92Å
848	V	75.9	Confident	60.6	Low	86 Å²	86	106.8 Å²	106.8	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-41.7	176.2	168.8	0	0	0	0	111.3	L844 I845 L851 S852	L844-V848 HydrophobicContact CD2-CG2 4.13Å; L844-V848 WeakPolarHBondContact O-CG2 3.25Å; L844-V848 PolarHBondContact O-N 2.84Å; I845-V848 PolarHBondContact O-N 3.18Å; V848-L851 PolarHBondContact O-N 3.42Å; V848-S852 WeakPolarHBondContact O-CB 3.46Å; V848-S852 PolarHBondContact O-N 2.89Å; V848-S852 PolarHBondContact O-OG 3.33Å
849	L	67.4	Low	61.2	Low	99 Å²	99	105.4 Å²	105.4	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-62.3	-49.3	175.7	-72.6	168.7	0	0	0	111.4	I845 L846 L851 S852 Q853	I845-L849 HydrophobicContact CG2-CD1 3.98Å; I845-L849 WeakPolarHBondContact O-CG 3.41Å; I845-L849 PolarHBondContact O-N 3.43Å; L846-L849 PolarHBondContact O-N 3.25Å; L849-L851 PolarHBondContact O-N 2.98Å; L849-S852 PolarHBondContact O-N 3.45Å; L849-S852 PolarHBondContact O-OG 3.36Å; L849-Q853 PolarHBondContact O-N 2.93Å
850	L	68.3	Low	60.6	Low	109 Å²	109	109.2 Å²	109.2	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-60.8	-42.7	178	-73.6	167.2	0	0	0	112.5	L846 C847 Q853 L854	L846-L850 WeakPolarHBondContact O-CB 3.49Å; L846-L850 WeakPolarHBondContact O-CG 3.43Å; L846-L850 PolarHBondContact O-N 3.37Å; C847-L850 PolarHBondContact O-N 2.7Å; L850-Q853 PolarHBondContact O-N 3.1Å; L850-L854 PolarHBondContact O-N 2.72Å
851	L	67.4	Low	60	Low	117 Å²	117	114.7 Å²	114.7	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-64.2	-40.2	174.7	-76	167.8	0	0	0	112.2	C847 V848 L849 Q853 L854 L855	C847-L851 WeakPolarHBondContact O-CB 3.3Å; C847-L851 VanDerWaalsContact O-CG 3.31Å; C847-L851 WeakPolarHBondContact O-CG 3.05Å; C847-L851 PolarHBondContact O-N 2.92Å; V848-L851 PolarHBondContact O-N 3.42Å; L849-L851 PolarHBondContact O-N 2.98Å; L851-Q853 VanDerWaalsContact C-N 3.3Å; L851-Q853 PolarHBondContact O-N 2.85Å; L851-L854 PolarHBondContact O-N 3.4Å; L851-L855 WeakPolarHBondContact O-CB 3.23Å; L851-L855 PolarHBondContact O-N 3.42Å
852	S	60	Low	60.5	Low	54 Å²	54	110.1 Å²	110.1	38%	0.378	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-36.1	176.2	76.5	0	0	0	0	112.2	V848 L849 L855 L856	V848-S852 WeakPolarHBondContact O-CB 3.46Å; V848-S852 PolarHBondContact O-N 2.89Å; V848-S852 PolarHBondContact O-OG 3.33Å; L849-S852 PolarHBondContact O-N 3.45Å; L849-S852 PolarHBondContact O-OG 3.36Å; S852-L855 PolarHBondContact O-N 2.71Å; S852-L856 WeakPolarHBondContact O-CB 3.39Å; S852-L856 VanDerWaalsContact O-CG 3.29Å; S852-L856 WeakPolarHBondContact O-CG 3.38Å; S852-L856 PolarHBondContact O-N 2.73Å
853	Q	55.3	Low	60.6	Low	123 Å²	123	110.2 Å²	110.2	58%	0.575	59%	0.585	S	S	*	*	H	α-helix	trans	-76.5	-33.3	179.1	-165.9	150.1	1.8	0	0	112.4	L849 L850 L851 N857	L849-Q853 PolarHBondContact O-N 2.93Å; L850-Q853 PolarHBondContact O-N 3.1Å; L851-Q853 VanDerWaalsContact C-N 3.3Å; L851-Q853 PolarHBondContact O-N 2.85Å; Q853-N857 WeakPolarHBondContact O-CB 3.49Å; Q853-N857 VanDerWaalsContact O-CG 3.24Å; Q853-N857 PolarHBondContact O-N 2.97Å; Q853-N857 PolarHBondContact O-ND2 3.32Å
854	L	62.8	Low	60.7	Low	120 Å²	120	112.7 Å²	112.7	63%	0.628	59%	0.593	S	S	*	*	H	α-helix	trans	-63.6	-43.8	167.9	-106.7	159.2	0	0	0	112.1	L850 L851 N857 Y858	L850-L854 PolarHBondContact O-N 2.72Å; L851-L854 PolarHBondContact O-N 3.4Å; L854-N857 PolarHBondContact O-N 2.81Å; L854-Y858 WeakPolarHBondContact O-CB 3.44Å; L854-Y858 PolarHBondContact O-N 2.96Å
855	L	60.7	Low	60.7	Low	116 Å²	116	112.2 Å²	112.2	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-42.6	177.4	-168.7	73.8	0	0	0	111.8	L851 S852 Y858 V859	L851-L855 WeakPolarHBondContact O-CB 3.23Å; L851-L855 PolarHBondContact O-N 3.42Å; S852-L855 PolarHBondContact O-N 2.71Å; L855-Y858 PolarHBondContact O-N 3.5Å; L855-V859 VanDerWaalsContact O-CG2 3.31Å; L855-V859 WeakPolarHBondContact O-CG2 3.39Å; L855-V859 PolarHBondContact O-N 2.78Å
856	L	58.6	Low	60.3	Low	96 Å²	96	112.8 Å²	112.8	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-60.5	-46	174	-76.5	166.5	0	0	0	111.5	S852 Y858 V859 F860	S852-L856 WeakPolarHBondContact O-CB 3.39Å; S852-L856 VanDerWaalsContact O-CG 3.29Å; S852-L856 WeakPolarHBondContact O-CG 3.38Å; S852-L856 PolarHBondContact O-N 2.73Å; L856-Y858 VanDerWaalsContact C-N 3.31Å; L856-Y858 PolarHBondContact O-N 3.47Å; L856-V859 PolarHBondContact O-N 2.86Å; L856-F860 HydrophobicContact CD2-CD2 4.35Å; L856-F860 HydrophobicContact CD2-CE2 3.97Å; L856-F860 WeakPolarHBondContact O-CD2 3.48Å; L856-F860 PolarHBondContact O-N 3.29Å; L856-F860 VanDerWaalsContact O-N 3.16Å
857	N	50.2	Low	59.9	Low	103 Å²	103	113.9 Å²	113.9	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-62.8	-36.2	177.4	-73.2	-12.5	0	0	0	112.4	Q853 L854 T861	Q853-N857 WeakPolarHBondContact O-CB 3.49Å; Q853-N857 VanDerWaalsContact O-CG 3.24Å; Q853-N857 PolarHBondContact O-N 2.97Å; Q853-N857 PolarHBondContact O-ND2 3.32Å; L854-N857 PolarHBondContact O-N 2.81Å; N857-T861 WeakPolarHBondContact O-CG2 3.25Å; N857-T861 PolarHBondContact O-OG1 2.97Å
858	Y	58.3	Low	59.2	Low	184 Å²	184	116.9 Å²	116.9	72%	0.722	61%	0.608	S	S	*	*	H	α-helix	trans	-73	-25.6	177.3	-176.5	-95.3	0	0	0	113.9	L854 L855 L856	L854-Y858 WeakPolarHBondContact O-CB 3.44Å; L854-Y858 PolarHBondContact O-N 2.96Å; L855-Y858 PolarHBondContact O-N 3.5Å; L856-Y858 VanDerWaalsContact C-N 3.31Å; L856-Y858 PolarHBondContact O-N 3.47Å
859	V	58.7	Low	57.9	Low	92 Å²	92	119.2 Å²	119.2	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-90	-15.6	-179.3	171.2	0	0	0	0	112.7	L855 L856	L855-V859 VanDerWaalsContact O-CG2 3.31Å; L855-V859 WeakPolarHBondContact O-CG2 3.39Å; L855-V859 PolarHBondContact O-N 2.78Å; L856-V859 PolarHBondContact O-N 2.86Å
860	F	45.1	Very low	57.1	Low	167 Å²	167	120.9 Å²	120.9	73%	0.732	62%	0.623	S	S	*	*			trans	-115.9	23.1	-179	-69.5	-68.7	0	0	0	114.2	L856	L856-F860 HydrophobicContact CD2-CD2 4.35Å; L856-F860 HydrophobicContact CD2-CE2 3.97Å; L856-F860 WeakPolarHBondContact O-CD2 3.48Å; L856-F860 PolarHBondContact O-N 3.29Å; L856-F860 VanDerWaalsContact O-N 3.16Å
861	T	39.7	Very low	56.1	Low	170 Å²	170	122 Å²	122	100%	1.043	63%	0.628	S	S	*	*			trans	-115.5	0	163.4	54	0	0	0	0	110.7	N857	N857-T861 WeakPolarHBondContact O-CG2 3.25Å; N857-T861 PolarHBondContact O-OG1 2.97Å

Retrieved 861 of 861 residues in 179.5 ms (Link to these results)

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