A0A087X8B8_POEFO Loading...

Membrane-bound transcription factor site-1 protease

AlphaFold DB , UniProt , Accession A0A087X8B8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,087 aa.

						>A0A087X8B8_POEFO|A0A087X8B8
MITQFVLLSLRAKMVLFLLLASTLLGTLAGLLPVMGMQSEREAKPRSDCQPPNLQPLLSPAGSNCSQLTLKLEFSSEVVEHEYIVAFTGYFSAKARSLYISSALRGAGDKKLEWHIVPRENPASDFPSDFELVHIKQASSSSLLTLEDHPYIKRVTPQRKVFRSLKYIPSPEPAAPCNGTHDSQKWQSWQSSRPFRRTSLSLGSGFWHATGRHSSRRLLRAIPRHVAQILQADVLWQMGHTGSGVKVAVFDTGLSEKHPHFKNVKERTNWTNEKTLDDGLGHGTFVAGVIASMRECQGFAPDSELHIFRVFTNNQVSYTSWFLDAFNYAILKKIDVLNLSIGGPDFMDHPFVDKVWELTANKVIMVSAIGNDGPLYGTLNNPADQMDVIGVGGIDFEDNIARFSSRGMTTWELPGGYGRVKPDIVTYGSGVRGSGLKEGCRSLSGTSVASPVVAGAVTLLASTVLNRELVNPASMKQALIASARRLPGVNMFEQGHGKLDLIRAYQILNSYRPQASLSPSYIDLTECPYMWPYCSQPIYYGGMPTIVNVTILNGMGVTGRIVDKPIWQPYLPQNGDNIDVAVSYSPVLWPWSGYLAVSISVAKKAASWEGIAQGHVMVTVASPAENDSEVGGELTSTVKLPIKVKIVPTPPRSKRVLWDQYHNLRYPPGYFPRDNLRMKNDPLDWNGDHIHTNFRDMYQHLRSMGYFVEVLGAPLTCFDASQYGTLLMVDSEEEYFPEEITKLRRDIDNGLSLIIFSDWYNTSVMRKVKFYDENTRQWWMPDTGGANVPALNDLISVWGMAFSDGLYEGDFTLADHDMYYASGCSIARFPEDGIVIAKNLKDQGLEVLKQETAVVEGVPILGLYQTPSEGGGRIALYGDSNCIDDSHRQKDCFWLLDALLQYTSYSMTPPSLSHSHSRVAPPAGAEQPLPQRLEGNHLYRYSKVLEAHLGDPKPRPLPACPHLSWAKPQPLNETAPSNLWKHQKLLSVDLDKVALPNMKSHRPQVRPLSPGESGAWDIPGGIMPGRYNQEVGQTIPVFAFLGAMVVLSFFVVQLTKAKSKPKRRKPRIKRPTYLQQQTATAGKTPTV
					

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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	31.2	Very low	26	Very low	238 Å²	238	154.1 Å²	154.1	100%	1.172	78%	0.779	S	S	*	*				0	86	0	-77.9	169.7	150.4	0	0	106.1
2	I	25.2	Very low	26	Very low	153 Å²	153	148.4 Å²	148.4	79%	0.785	77%	0.773	S	S	*	*				39.4	100.7	74.9	-51.8	178.7	0	0	0	107
3	T	27	Very low	26	Very low	115 Å²	115	153.5 Å²	153.5	71%	0.706	79%	0.786	S	S	*	*				-171	145	55.2	1	0	0	0	0	104.6
4	Q	32.1	Very low	26	Very low	167 Å²	167	153.9 Å²	153.9	78%	0.78	79%	0.785	S	S	*	*	S	Bend		-168.3	120.5	86	-134	154.9	1.5	0	0	110.2
5	F	29.4	Very low	26.4	Very low	175 Å²	175	149.5 Å²	149.5	77%	0.768	77%	0.768	S	S	*	*			trans	69.4	92.4	145.7	-77.4	-107.5	0	0	0	118.1
6	V	26.1	Very low	26.3	Very low	116 Å²	116	150.1 Å²	150.1	70%	0.703	77%	0.772	S	S	*	*			cis	73.2	109.4	46.3	177.1	0	0	0	0	114.7
7	L	22.9	Very low	26.3	Very low	142 Å²	142	149 Å²	149	74%	0.743	76%	0.761	S	S	*	*			trans	48	123.3	142.9	-84.1	69.9	0	0	0	118.9
8	L	21.3	Very low	26.2	Very low	146 Å²	146	149.4 Å²	149.4	76%	0.764	76%	0.764	S	S	*	*				167.8	124.9	93.7	-109.1	115.2	0	0	0	107.7
9	S	21.9	Very low	26.2	Very low	87 Å²	87	147.5 Å²	147.5	61%	0.608	76%	0.755	S	S	*	*				72.4	145.3	123.9	-148.9	0	0	0	0	120.3
10	L	23.2	Very low	26.2	Very low	133 Å²	133	147.4 Å²	147.4	70%	0.696	76%	0.755	S	S	*	*			trans	80.2	115	149	-73.4	140.9	0	0	0	118.6
11	R	25.3	Very low	26.1	Very low	223 Å²	223	143.9 Å²	143.9	84%	0.842	75%	0.749	S	S	*	*			trans	97.3	117.5	130.8	-73.7	171.4	172.7	-177	-2	118.1
12	A	26.4	Very low	26	Very low	86 Å²	86	137.5 Å²	137.5	71%	0.711	73%	0.727	S	S	*	*				67.4	112.9	126.7	0	0	0	0	0	118.6
13	K	26.6	Very low	26.1	Very low	215 Å²	215	135.9 Å²	135.9	94%	0.935	73%	0.725	S	S	*	*			trans	-71.5	116.8	133.6	-95.5	-176.5	174.9	178.4	0	107.4
14	M	26.1	Very low	26.1	Very low	158 Å²	158	137.5 Å²	137.5	78%	0.778	73%	0.728	S	S	*	*			trans	163.9	129.5	162.4	-106.8	-173.6	86.3	0	0	105.6
15	V	31.4	Very low	25.9	Very low	88 Å²	88	137.5 Å²	137.5	53%	0.533	73%	0.733	S	S	.	*			cis	-164.7	135.8	27.7	173.6	0	0	0	0	103.9	F17	V15-F17 HydrophobicContact CG1-CD2 3.87Å
16	L	25.1	Very low	25.7	Very low	159 Å²	159	132.8 Å²	132.8	83%	0.832	73%	0.734	S	S	*	*	S	Bend		-159.8	105	71	-165	76.3	0	0	0	107.7
17	F	25.3	Very low	25.7	Very low	132 Å²	132	133.4 Å²	133.4	58%	0.579	74%	0.737	S	S	*	*				96.5	111.4	76.7	-128.6	-107.2	0	0	0	111	V15 L19	V15-F17 HydrophobicContact CG1-CD2 3.87Å; F17-L19 HydrophobicContact CD1-CD1 3.72Å; F17-L19 HydrophobicContact CD1-CG 4.27Å; F17-L19 HydrophobicContact CE1-CD1 3.46Å; F17-L19 VanDerWaalsContact CE1-CD1 3.46Å; F17-L19 HydrophobicContact CE1-CG 4.1Å; F17-L19 HydrophobicContact CZ-CD1 4.44Å
18	L	25.6	Very low	25.9	Very low	156 Å²	156	134.6 Å²	134.6	82%	0.817	74%	0.744	S	S	*	*			trans	169.8	87.4	131.2	-89.9	147.9	0	0	0	105.1
19	L	25.6	Very low	26.1	Very low	114 Å²	114	132.5 Å²	132.5	60%	0.597	75%	0.747	S	S	*	*				61.4	122.2	93.4	-76.1	162.8	0	0	0	110.4	F17	F17-L19 HydrophobicContact CD1-CD1 3.72Å; F17-L19 HydrophobicContact CD1-CG 4.27Å; F17-L19 HydrophobicContact CE1-CD1 3.46Å; F17-L19 VanDerWaalsContact CE1-CD1 3.46Å; F17-L19 HydrophobicContact CE1-CG 4.1Å; F17-L19 HydrophobicContact CZ-CD1 4.44Å
20	L	25.6	Very low	26.3	Very low	145 Å²	145	131.8 Å²	131.8	76%	0.759	75%	0.754	S	S	*	*			cis	-164	131.8	21.9	-91.4	135.6	0	0	0	106.3
21	A	25.7	Very low	26.4	Very low	74 Å²	74	133 Å²	133	61%	0.612	76%	0.761	S	S	*	*				60.8	101.5	93	0	0	0	0	0	113.8
22	S	27.5	Very low	26.4	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	76%	0.758	S	S	*	*				70.6	139	89.6	70	0	0	0	0	113.4
23	T	28.4	Very low	27.1	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.724	76%	0.755	S	S	*	*			cis	-179.5	147.8	7.4	18	0	0	0	0	106.9
24	L	26.9	Very low	27.1	Very low	149 Å²	149	125.6 Å²	125.6	78%	0.78	75%	0.745	S	S	*	*			trans	59.8	145.9	145.9	-98	100	0	0	0	124.6
25	L	26.7	Very low	27	Very low	168 Å²	168	127 Å²	127	88%	0.88	75%	0.752	S	S	*	*			trans	88.7	130.3	152.6	-89.3	133	0	0	0	119.9
26	G	26.6	Very low	26.6	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	76%	0.76	S	S	*	*			trans	129.4	106.1	145.6	0	0	0	0	0	116.9
27	T	26.1	Very low	26.5	Very low	128 Å²	128	127.2 Å²	127.2	79%	0.785	76%	0.763	S	S	*	*			trans	-67.6	161.9	171.2	44.4	0	0	0	0	115.2
28	L	25.8	Very low	26.5	Very low	167 Å²	167	130 Å²	130	87%	0.874	78%	0.778	S	S	*	*			trans	96.3	127.2	151.8	-84.3	135.1	0	0	0	120.7
29	A	26.3	Very low	26.4	Very low	102 Å²	102	127.3 Å²	127.3	84%	0.843	77%	0.772	S	S	*	*			trans	102.2	125.5	142.9	0	0	0	0	0	119.5
30	G	25.5	Very low	26.5	Very low	73 Å²	73	128.6 Å²	128.6	75%	0.753	78%	0.775	S	S	*	*			trans	112.5	86.8	132.3	0	0	0	0	0	119.3
31	L	25.2	Very low	26.5	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	77%	0.772	S	S	*	*			trans	17.5	127.4	133.6	-74.6	139.3	0	0	0	121.5
32	L	26	Very low	26.4	Very low	150 Å²	150	135.5 Å²	135.5	79%	0.785	78%	0.783	S	S	*	*			trans	71.2	169.9	138.8	-65.7	165.2	0	0	0	118.8
33	P	42.1	Very low	26.3	Very low	100 Å²	100	135.6 Å²	135.6	65%	0.649	79%	0.79	S	S	*	*				-138.8	172.9	-57.8	41.6	-24.8	0	0	0	114.2
34	V	24.7	Very low	26.1	Very low	119 Å²	119	139.6 Å²	139.6	72%	0.721	80%	0.798	S	S	*	*			trans	46	127.8	132.6	178.5	0	0	0	0	122.7
35	M	24.6	Very low	26.7	Very low	188 Å²	188	137.6 Å²	137.6	93%	0.926	79%	0.794	S	S	*	*			trans	64.1	146.2	152.2	-70.8	162.3	79.2	0	0	118.8
36	G	23.6	Very low	26.6	Very low	69 Å²	69	141.2 Å²	141.2	71%	0.711	80%	0.795	S	S	*	*			cis	175.5	154.6	5	0	0	0	0	0	110.9
37	M	23.3	Very low	26.4	Very low	182 Å²	182	142.8 Å²	142.8	90%	0.897	80%	0.795	S	S	*	*			trans	24.3	132.8	152.4	-68.2	179.6	66	0	0	123.7
38	Q	24.4	Very low	26.3	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	80%	0.796	S	S	*	*				166.8	143.7	118.9	-92.3	171.5	-16.4	0	0	107.6
39	S	24.5	Very low	26.3	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	79%	0.794	S	S	*	*				178.1	143	59	145.2	0	0	0	0	110.5
40	E	26.2	Very low	26.2	Very low	142 Å²	142	145.5 Å²	145.5	66%	0.664	79%	0.794	S	S	*	*			trans	30.5	151.2	138.7	-59.6	-168.9	130.8	0	0	122.3
41	R	26.1	Very low	26.1	Very low	184 Å²	184	147.8 Å²	147.8	69%	0.694	80%	0.795	S	S	*	*			cis	-172.2	152.3	10	-114.8	172.7	-151.3	-163.9	9.3	109.5
42	E	24.4	Very low	26.5	Very low	180 Å²	180	145.6 Å²	145.6	84%	0.841	79%	0.79	S	S	*	*			trans	46.8	136.2	150.4	-65.5	176	147	0	0	121.4
43	A	24.7	Very low	26.4	Very low	106 Å²	106	145.7 Å²	145.7	88%	0.876	79%	0.792	S	S	*	*			cis	-160.6	165.6	39	0	0	0	0	0	113.9
44	K	23.8	Very low	25.6	Very low	202 Å²	202	149.4 Å²	149.4	88%	0.878	81%	0.805	S	S	*	*			trans	-91	174.5	179.2	-105.1	-179.7	-178	175.5	0	112.3
45	P	39.4	Very low	25.6	Very low	107 Å²	107	152.3 Å²	152.3	70%	0.695	81%	0.811	S	S	*	*			cis	-148.1	167.9	30.8	39.3	-16.8	0	0	0	120.7
46	R	24.6	Very low	26.1	Very low	243 Å²	243	149 Å²	149	92%	0.917	80%	0.804	S	S	*	*			trans	64.9	129.5	155.7	-71.9	172.2	178.6	177.8	-0.6	117.9
47	S	24.1	Very low	26.1	Very low	110 Å²	110	154.1 Å²	154.1	77%	0.769	81%	0.814	S	S	*	*			cis	-164.4	149.8	47.3	42.8	0	0	0	0	113.5
48	D	23.9	Very low	26.4	Very low	151 Å²	151	153.6 Å²	153.6	81%	0.807	81%	0.813	S	S	*	*			trans	57.2	115.9	148.7	-65.6	-7.7	0	0	0	126.2
49	C	25.7	Very low	26.3	Very low	124 Å²	124	150 Å²	150	84%	0.838	81%	0.809	S	S	*	*				79.4	116.5	129.8	-67.2	0	0	0	0	122.1
50	Q	24.1	Very low	26.8	Very low	179 Å²	179	151.2 Å²	151.2	84%	0.836	82%	0.815	S	S	*	*			trans	-80.8	172.8	177.7	-64.5	175.1	-53.1	0	0	114.3
51	P	23.8	Very low	27.1	Very low	120 Å²	120	149.7 Å²	149.7	78%	0.779	83%	0.827	S	S	*	*			trans	-112.3	148.7	130.1	35	-27.2	0	0	0	112.3
52	P	33	Very low	26.9	Very low	112 Å²	112	144.3 Å²	144.3	73%	0.727	83%	0.828	S	S	*	*			trans	-96.4	131.9	167.9	34.9	-26.8	0	0	0	110.8
53	N	24	Very low	27.2	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	83%	0.829	S	S	*	*				65.5	118.8	79.4	-106.3	0.3	0	0	0	116
54	L	25.7	Very low	27.5	Very low	177 Å²	177	143.9 Å²	143.9	93%	0.927	83%	0.827	S	S	*	*			trans	-148.2	119.8	151	-106.8	134.7	0	0	0	109.5
55	Q	24	Very low	28.1	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	82%	0.816	S	S	*	*			trans	-105.8	164.3	172.3	-102	-172.8	-7.2	0	0	110.7
56	P	35.2	Very low	28.5	Very low	119 Å²	119	137 Å²	137	77%	0.773	81%	0.806	S	S	*	*			trans	-102.7	164.8	-156.3	39.4	-33.5	0	0	0	114.2
57	L	24.2	Very low	30.2	Very low	176 Å²	176	128.7 Å²	128.7	92%	0.921	78%	0.777	S	S	*	*			trans	-134.5	132.5	169.5	-97	154.7	0	0	0	111.1
58	L	29.1	Very low	32.6	Very low	170 Å²	170	124.6 Å²	124.6	89%	0.89	75%	0.747	S	S	*	*			trans	-98.1	138.6	174.6	-99.3	142	0	0	0	110.3
59	S	22.9	Very low	35	Very low	115 Å²	115	118.7 Å²	118.7	80%	0.804	72%	0.716	S	S	*	*			trans	-157.1	154.1	151.6	-29.6	0	0	0	0	110.7
60	P	34.1	Very low	37.2	Very low	125 Å²	125	112.9 Å²	112.9	81%	0.812	68%	0.677	S	S	*	*			trans	-104.6	158.6	-162.4	37.9	-29.7	0	0	0	115.8
61	A	31.6	Very low	39.4	Very low	110 Å²	110	109.1 Å²	109.1	91%	0.909	66%	0.658	S	S	*	*			trans	56.8	94.8	155.5	0	0	0	0	0	119.7
62	G	22.7	Very low	41.4	Very low	71 Å²	71	104.6 Å²	104.6	73%	0.732	63%	0.627	S	S	*	*			trans	-149.5	114.6	150.4	0	0	0	0	0	108	N64	G62-N64 VanDerWaalsContact C-N 3.35Å; G62-N64 PolarHBondContact O-N 3.34Å
63	S	31.1	Very low	42.9	Very low	123 Å²	123	102.4 Å²	102.4	86%	0.86	61%	0.607	S	S	*	*			trans	-67.8	91.7	179.3	56.7	0	0	0	0	110	C65	S63-C65 PolarHBondContact O-N 3.48Å; S63-C65 VanDerWaalsContact O-N 3.12Å
64	N	29.6	Very low	44.9	Very low	154 Å²	154	97.8 Å²	97.8	82%	0.824	58%	0.579	S	S	*	*			trans	-72.5	98.5	172.7	-128.1	-0.7	0	0	0	108	G62 S66	G62-N64 VanDerWaalsContact C-N 3.35Å; G62-N64 PolarHBondContact O-N 3.34Å; N64-S66 PolarHBondContact O-N 3.33Å
65	C	36.9	Very low	46.8	Very low	95 Å²	95	91.9 Å²	91.9	64%	0.642	55%	0.553	S	S	*	*			trans	-73.9	80.9	168.7	-91.8	0	0	0	0	108.9	S63 Q67	S63-C65 PolarHBondContact O-N 3.48Å; S63-C65 VanDerWaalsContact O-N 3.12Å; C65-Q67 PolarHBondContact O-N 3.47Å
66	S	48.8	Very low	49	Very low	70 Å²	70	83.4 Å²	83.4	49%	0.49	51%	0.513	S	S	.	.			trans	-76.6	114.9	166.2	49	0	0	0	0	109.1	N64	N64-S66 PolarHBondContact O-N 3.33Å
67	Q	58.8	Low	50.5	Low	67 Å²	67	78.8 Å²	78.8	31%	0.313	48%	0.482	S	S	.	.			trans	-74.1	122.7	165.8	-77.5	178.7	-31.7	0	0	108.3	C65 S170	C65-Q67 PolarHBondContact O-N 3.47Å; Q67-S170 PolarHBondContact O-N 3Å
68	L	76.3	Confident	52.8	Low	25 Å²	25	71.1 Å²	71.1	13%	0.131	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.1	-177.2	-65.7	167	0	0	0	109.3	Y167 I168 L443 S444	L68-Y167 HydrophobicContact CB-CD1 4.34Å; L68-I168 CarbonylContact C-O 3.37Å; L68-I168 WeakPolarHBondContact CA-O 3.42Å; L68-L443 HydrophobicContact CB-CD2 4.08Å; L68-L443 WeakPolarHBondContact O-CA 3.49Å; L68-S444 PolarHBondContact O-N 3.26Å
69	T	73.5	Confident	55.2	Low	27 Å²	27	63.6 Å²	63.6	17%	0.166	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.7	170.3	-56.6	0	0	0	0	108.9	I168 F403	T69-I168 PolarHBondContact N-O 3.45Å; T69-I168 PolarHBondContact O-N 3.22Å; T69-F403 HydrophobicContact CG2-CD1 4.47Å
70	L	72.4	Confident	57.8	Low	2 Å²	2	61.5 Å²	61.5	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.9	173	-70.4	169.6	0	0	0	109.1	L165 Y167 N371 L443 S444 S447 V448	L70-L165 HydrophobicContact CD2-CD2 4.21Å; L70-Y167 HydrophobicContact CD2-CD1 3.44Å; L70-Y167 VanDerWaalsContact CD2-CD1 3.44Å; L70-Y167 HydrophobicContact CD2-CE1 3.17Å; L70-Y167 HydrophobicContact CD2-CE2 4.5Å; L70-Y167 HydrophobicContact CD2-CG 4.26Å; L70-Y167 HydrophobicContact CG-CD1 4.45Å; L70-Y167 HydrophobicContact CG-CE1 4.3Å; L70-N371 PolarHBondContact O-ND2 2.8Å; L70-N371 VanDerWaalsContact O-ND2 3.13Å; L70-L443 HydrophobicContact CD1-CB 4.27Å; L70-L443 HydrophobicContact CD1-CD1 4.17Å; L70-S444 VanDerWaalsContact CB-O 3.28Å; L70-S444 WeakPolarHBondContact CB-O 3.38Å; L70-S444 PolarHBondContact N-O 3.34Å; L70-S447 WeakPolarHBondContact CD1-OG 3.47Å; L70-V448 HydrophobicContact CD1-CG2 3.96Å
71	K	69.3	Low	60.3	Low	100 Å²	100	58.4 Å²	58.4	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.1	161.4	-168	-176.7	-177.6	-150.2	0	107.9	E73 S164 K166 I168	K71-E73 IonicContact NZ-OE1 2.64Å; K71-E73 PolarHBondContact NZ-OE1 3.5Å; K71-S164 VanDerWaalsContact O-O 3.13Å; K71-K166 HydrophobicContact CB-CB 4.31Å; K71-K166 PolarHBondContact N-O 3.4Å; K71-K166 PolarHBondContact O-N 3.43Å; K71-I168 HydrophobicContact CB-CD1 3.82Å; K71-I168 HydrophobicContact CB-CG1 4.5Å; K71-I168 HydrophobicContact CD-CD1 4.06Å
72	L	65.4	Low	63	Low	25 Å²	25	55 Å²	55	13%	0.131	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.1	172.9	-79.6	156.9	0	0	0	107.2	R163 L165 N371	L72-R163 HydrophobicContact CD2-CG 3.86Å; L72-L165 HydrophobicContact CD2-CD2 3.4Å; L72-L165 VanDerWaalsContact CD2-CD2 3.4Å; L72-L165 HydrophobicContact CD2-CG 4.32Å; L72-L165 HydrophobicContact CG-CD2 4.12Å; L72-N371 WeakPolarHBondContact CD1-ND2 3.03Å
73	E	66.3	Low	66.1	Low	66 Å²	66	53.4 Å²	53.4	31%	0.308	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.2	163.3	-68.9	168.4	-170.7	0	0	107.5	K71 R163 S164 K166	K71-E73 IonicContact NZ-OE1 2.64Å; K71-E73 PolarHBondContact NZ-OE1 3.5Å; E73-R163 CarbonylContact O-C 3.33Å; E73-S164 PolarHBondContact N-O 3.44Å; E73-S164 PolarHBondContact O-N 3.26Å; E73-K166 IonicContact OE1-NZ 3.69Å; E73-K166 PolarHBondContact OE1-NZ 3.47Å; E73-K166 WeakPolarHBondContact OE2-CE 3.49Å; E73-K166 IonicContact OE2-NZ 2.95Å; E73-K166 PolarHBondContact OE2-NZ 3.08Å
74	F	65.6	Low	69	Low	55 Å²	55	47.6 Å²	47.6	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.4	-177	-171.8	-77.8	0	0	0	109.7	V161 F162 G342 G343 P344 F346	F74-V161 HydrophobicContact CD2-CG1 3.99Å; F74-V161 HydrophobicContact CE1-CG1 4.02Å; F74-V161 HydrophobicContact CE2-CG1 3.19Å; F74-V161 HydrophobicContact CZ-CB 4.19Å; F74-V161 HydrophobicContact CZ-CG1 3.23Å; F74-V161 HydrophobicContact CZ-CG2 3.92Å; F74-F162 WeakPolarHBondContact CA-O 3.41Å; F74-G342 WeakPolarHBondContact CD2-O 3.33Å; F74-G343 VanDerWaalsContact CE2-CA 3.47Å; F74-G343 VanDerWaalsContact CG-CA 3.46Å; F74-P344 VanDerWaalsContact CD1-CD 3.48Å; F74-P344 HydrophobicContact CD1-CG 4.37Å; F74-F346 AromaticContact CD1-CE2 3.69Å; F74-F346 HydrophobicContact CD1-CE2 3.69Å; F74-F346 AromaticContact CE1-CD2 3.74Å; F74-F346 HydrophobicContact CE1-CD2 3.74Å; F74-F346 AromaticContact CE1-CE2 3.26Å; F74-F346 HydrophobicContact CE1-CE2 3.26Å; F74-F346 HydrophobicContact CE1-CZ 4.31Å; F74-F346 HydrophobicContact CZ-CD2 4.36Å; F74-F346 HydrophobicContact CZ-CE2 4.27Å
75	S	65.8	Low	71.9	Confident	53 Å²	53	40.3 Å²	40.3	37%	0.371	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154	168.8	-174.4	0	0	0	0	108.5	F162	S75-F162 PolarHBondContact N-O 3.01Å; S75-F162 PolarHBondContact O-N 3.42Å; S75-F162 VanDerWaalsContact O-O 3.06Å
76	S	69.1	Low	74.6	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	103.5	-173.5	170.8	0	0	0	0	113.7	R159 K160 N774	S76-R159 PolarHBondContact OG-NE 3.2Å; S76-K160 CarbonylContact C-O 3.17Å; S76-N774 PolarHBondContact N-OD1 3.19Å; S76-N774 WeakPolarHBondContact O-CB 3.45Å; S76-N774 PolarHBondContact O-ND2 2.7Å; S76-N774 PolarHBondContact O-OD1 3.48Å
77	E	66.4	Low	76.7	Confident	22 Å²	22	33.2 Å²	33.2	10%	0.103	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.2	-171.2	-65	176.6	-165.2	0	0	116.6	R159 K160 F162 E773 N774	E77-R159 CarbonylContact O-C 3.57Å; E77-R159 VanDerWaalsContact O-C 3.31Å; E77-R159 WeakPolarHBondContact O-CA 3.47Å; E77-K160 WeakPolarHBondContact CA-O 3.25Å; E77-K160 HydrophobicContact CB-CB 4.19Å; E77-K160 HydrophobicContact CB-CD 4.47Å; E77-K160 PolarHBondContact N-O 2.85Å; E77-K160 WeakPolarHBondContact O-CA 3.44Å; E77-K160 VanDerWaalsContact O-CB 3.3Å; E77-K160 WeakPolarHBondContact O-CB 3.42Å; E77-K160 PolarHBondContact O-N 3.01Å; E77-K160 IonicContact OE2-NZ 2.67Å; E77-K160 PolarHBondContact OE2-NZ 2.89Å; E77-F162 HydrophobicContact CB-CD2 4.49Å; E77-F162 HydrophobicContact CB-CE2 3.91Å; E77-F162 VanDerWaalsContact CD-CZ 3.46Å; E77-F162 HydrophobicContact CG-CD2 4.02Å; E77-F162 HydrophobicContact CG-CE2 3.5Å; E77-F162 VanDerWaalsContact CG-CE2 3.5Å; E77-F162 HydrophobicContact CG-CZ 4.38Å; E77-F162 WeakPolarHBondContact OE1-CE2 3.46Å; E77-F162 WeakPolarHBondContact OE1-CZ 3.35Å; E77-F162 WeakPolarHBondContact OE2-CE2 3.3Å; E77-F162 VanDerWaalsContact OE2-CZ 3.29Å; E77-F162 WeakPolarHBondContact OE2-CZ 3.46Å; E77-E773 VanDerWaalsContact CD-CB 3.45Å; E77-E773 VanDerWaalsContact CG-C 3.47Å; E77-E773 HydrophobicContact CG-CB 3.89Å; E77-E773 WeakPolarHBondContact OE1-CB 3.35Å; E77-E773 VanDerWaalsContact OE1-OE2 3.06Å; E77-N774 VanDerWaalsContact CA-CG 3.49Å; E77-N774 WeakPolarHBondContact CA-OD1 3.17Å; E77-N774 HydrophobicContact CB-CB 4.18Å; E77-N774 WeakPolarHBondContact CB-OD1 3.42Å; E77-N774 HydrophobicContact CG-CB 4.25Å; E77-N774 WeakPolarHBondContact CG-OD1 3.37Å; E77-N774 PolarHBondContact N-OD1 2.6Å
78	V	74	Confident	78.2	Confident	15 Å²	15	34.1 Å²	34.1	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.4	164.6	-165.9	0	0	0	0	110.8	P157 Q158 R159 N774 T775 R776	V78-P157 HydrophobicContact CG1-CB 3.44Å; V78-P157 VanDerWaalsContact CG1-CB 3.44Å; V78-P157 HydrophobicContact CG1-CG 3.89Å; V78-Q158 CarbonylContact C-O 3.55Å; V78-Q158 WeakPolarHBondContact CA-O 3.37Å; V78-Q158 WeakPolarHBondContact CG1-O 3.29Å; V78-R159 HydrophobicContact CG2-CG 4.39Å; V78-N774 CarbonylContact C-O 3.55Å; V78-N774 WeakPolarHBondContact CA-O 3.39Å; V78-N774 WeakPolarHBondContact CB-O 3.4Å; V78-N774 PolarHBondContact N-O 3.44Å; V78-T775 HydrophobicContact CG2-CG2 3.75Å; V78-R776 WeakPolarHBondContact O-CG 3.39Å
79	V	79.1	Confident	78.9	Confident	13 Å²	13	34.1 Å²	34.1	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.3	-180	-171.3	0	0	0	0	108.3	H81 E82 Q158 K160 Y318	V79-H81 PolarHBondContact O-N 3.1Å; V79-E82 HydrophobicContact CB-CB 4.15Å; V79-E82 HydrophobicContact CG1-CB 4.06Å; V79-E82 HydrophobicContact CG1-CG 4Å; V79-E82 WeakPolarHBondContact CG1-OE2 3.48Å; V79-E82 PolarHBondContact O-N 3.42Å; V79-Q158 HydrophobicContact CB-CB 4.23Å; V79-Q158 HydrophobicContact CB-CG 4.12Å; V79-Q158 HydrophobicContact CG2-CB 4.35Å; V79-Q158 HydrophobicContact CG2-CG 3.78Å; V79-Q158 PolarHBondContact N-O 3.2Å; V79-K160 HydrophobicContact CG2-CB 3.8Å; V79-Y318 HydrophobicContact CG2-CD1 3.82Å; V79-Y318 HydrophobicContact CG2-CE1 3.52Å
80	E	77.9	Confident	79.8	Confident	70 Å²	70	37.2 Å²	37.2	33%	0.327	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	139.6	177.5	-92.2	172.5	-141.3	0	0	111.9	E82 Y771 R776	E80-E82 PolarHBondContact O-N 2.98Å; E80-Y771 PolarHBondContact OE1-OH 2.93Å; E80-R776 HydrophobicContact CB-CG 4.38Å; E80-R776 VanDerWaalsContact CB-NH1 3.3Å; E80-R776 HydrophobicContact CG-CB 3.47Å; E80-R776 VanDerWaalsContact CG-CB 3.47Å; E80-R776 VanDerWaalsContact CG-CD 3.5Å; E80-R776 HydrophobicContact CG-CG 3.57Å; E80-R776 VanDerWaalsContact OE1-CD 3.22Å; E80-R776 WeakPolarHBondContact OE1-CD 3.47Å; E80-R776 IonicContact OE1-CZ 3.18Å; E80-R776 IonicContact OE1-NE 3.1Å; E80-R776 IonicContact OE1-NH1 3.93Å; E80-R776 PolarHBondContact OE1-NH1 2.94Å; E80-R776 IonicContact OE2-CZ 3.69Å; E80-R776 IonicContact OE2-NH1 3.14Å; E80-R776 PolarHBondContact OE2-NH1 3.43Å
81	H	85.3	Confident	80.8	Confident	60 Å²	60	39.1 Å²	39.1	28%	0.278	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62	-1.8	173	-52.9	108.5	0	0	0	115	V79 Y83 H134 I135 Q137	V79-H81 PolarHBondContact O-N 3.1Å; H81-Y83 WeakPolarHBondContact O-CD2 3.47Å; H81-H134 WeakPolarHBondContact CB-NE2 3.31Å; H81-H134 CarbonylContact O-C 3.36Å; H81-H134 WeakPolarHBondContact O-CA 3.26Å; H81-I135 WeakPolarHBondContact CB-O 3.25Å; H81-I135 PolarHBondContact CD2-O 3.07Å; H81-I135 PolarHBondContact O-N 3.38Å; H81-Q137 PolarHBondContact CD2-N 3.49Å
82	E	88.7	Confident	82	Confident	40 Å²	40	37.4 Å²	37.4	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	177.9	-71.7	-174.8	-169.7	0	0	111.5	V79 E80 V117 L132 V133 Q158	V79-E82 HydrophobicContact CB-CB 4.15Å; V79-E82 HydrophobicContact CG1-CB 4.06Å; V79-E82 HydrophobicContact CG1-CG 4Å; V79-E82 WeakPolarHBondContact CG1-OE2 3.48Å; V79-E82 PolarHBondContact O-N 3.42Å; E80-E82 PolarHBondContact O-N 2.98Å; E82-V117 HydrophobicContact CG-CG2 4.46Å; E82-L132 HydrophobicContact CB-CD1 4.15Å; E82-V133 WeakPolarHBondContact CA-O 3.38Å; E82-Q158 HydrophobicContact CB-CB 3.84Å; E82-Q158 HydrophobicContact CB-CG 4.41Å; E82-Q158 WeakPolarHBondContact O-CB 3.46Å; E82-Q158 PolarHBondContact O-N 2.88Å
83	Y	88.9	Confident	83.2	Confident	37 Å²	37	38.7 Å²	38.7	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.1	-177.7	-60.5	-89.2	0	0	0	110.5	H81 V133 I135 A138 L143 V155 T156 P157	H81-Y83 WeakPolarHBondContact O-CD2 3.47Å; Y83-V133 PolarHBondContact N-O 2.91Å; Y83-V133 PolarHBondContact O-N 3.36Å; Y83-I135 HydrophobicContact CD2-CB 4.21Å; Y83-I135 HydrophobicContact CD2-CD1 4.17Å; Y83-I135 HydrophobicContact CD2-CG1 4.2Å; Y83-I135 HydrophobicContact CE2-CB 4.15Å; Y83-A138 HydrophobicContact CE2-CB 3.97Å; Y83-A138 WeakPolarHBondContact OH-CB 3.45Å; Y83-L143 HydrophobicContact CD1-CD2 3.87Å; Y83-L143 HydrophobicContact CE1-CD1 3.94Å; Y83-L143 HydrophobicContact CE1-CD2 3.73Å; Y83-L143 HydrophobicContact CE2-CD2 4.4Å; Y83-L143 HydrophobicContact CG-CD2 4.28Å; Y83-V155 HydrophobicContact CD1-CG1 4.21Å; Y83-V155 HydrophobicContact CG-CG1 4.38Å; Y83-T156 CarbonylContact C-O 3.57Å; Y83-T156 WeakPolarHBondContact CA-O 3.46Å; Y83-P157 HydrophobicContact CD1-CB 4.18Å; Y83-P157 HydrophobicContact CE1-CB 4.22Å
84	I	90.3	Very high	84.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.7	168.3	-58.3	174.5	0	0	0	107.4	F130 L132 V155 T156 Q158 T319 L323	I84-F130 HydrophobicContact CG2-CB 4.06Å; I84-F130 HydrophobicContact CG2-CD2 3.92Å; I84-F130 HydrophobicContact CG2-CG 4.31Å; I84-L132 HydrophobicContact CG1-CD1 4.26Å; I84-V155 WeakPolarHBondContact O-CA 3.42Å; I84-T156 PolarHBondContact N-O 3.09Å; I84-T156 PolarHBondContact O-N 3.39Å; I84-Q158 HydrophobicContact CG1-CB 4.21Å; I84-T319 HydrophobicContact CD1-CG2 3.61Å; I84-L323 HydrophobicContact CD1-CD1 4.1Å; I84-L323 HydrophobicContact CG2-CD1 3.98Å
85	V	92.4	Very high	85.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.5	170.8	-178.6	0	0	0	0	107.5	F87 I100 F130 E131 V133 I152 V155	V85-F87 HydrophobicContact CG1-CE1 4.28Å; V85-F87 HydrophobicContact CG1-CE2 4.29Å; V85-F87 HydrophobicContact CG1-CZ 3.95Å; V85-F87 WeakPolarHBondContact O-CE2 3.44Å; V85-I100 HydrophobicContact CG1-CG1 4.38Å; V85-F130 CarbonylContact O-C 3.54Å; V85-F130 WeakPolarHBondContact O-CA 3.44Å; V85-E131 PolarHBondContact N-O 3.11Å; V85-E131 PolarHBondContact O-N 2.92Å; V85-V133 HydrophobicContact CG2-CB 4.37Å; V85-V133 HydrophobicContact CG2-CG2 3.72Å; V85-I152 HydrophobicContact CG1-CD1 3.85Å; V85-I152 HydrophobicContact CG1-CG1 3.98Å; V85-I152 HydrophobicContact CG1-CG2 3.86Å; V85-V155 HydrophobicContact CG1-CG2 4.47Å; V85-V155 HydrophobicContact CG2-CG1 4.42Å; V85-V155 HydrophobicContact CG2-CG2 4.31Å
86	A	91.9	Very high	87	Confident	12 Å²	12	39.3 Å²	39.3	10%	0.099	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.3	176	0	0	0	0	0	110.3	K153 R154	A86-K153 PolarHBondContact O-N 2.86Å; A86-R154 PolarHBondContact N-O 3.44Å; A86-R154 PolarHBondContact O-N 3.33Å
87	F	93.1	Very high	88	Confident	5 Å²	5	41 Å²	41	2%	0.022	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	161.3	-179.5	-62.3	-83.7	0	0	0	110.9	V85 G89 F91 R96 Y99 I100 D129 E131 Y151 I152	V85-F87 HydrophobicContact CG1-CE1 4.28Å; V85-F87 HydrophobicContact CG1-CE2 4.29Å; V85-F87 HydrophobicContact CG1-CZ 3.95Å; V85-F87 WeakPolarHBondContact O-CE2 3.44Å; F87-G89 PolarHBondContact O-N 3.4Å; F87-F91 HydrophobicContact CB-CD2 3.8Å; F87-F91 HydrophobicContact CB-CE2 3.91Å; F87-F91 HydrophobicContact CD1-CD2 4.35Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; F87-R96 HydrophobicContact CD2-CG 4Å; F87-R96 HydrophobicContact CE1-CB 4.45Å; F87-R96 HydrophobicContact CE1-CG 4.43Å; F87-R96 HydrophobicContact CE2-CB 3.87Å; F87-R96 HydrophobicContact CE2-CG 3.65Å; F87-R96 HydrophobicContact CZ-CB 3.73Å; F87-R96 HydrophobicContact CZ-CG 3.89Å; F87-Y99 HydrophobicContact CD1-CD2 4.15Å; F87-Y99 AromaticContact CE1-CD2 3.99Å; F87-Y99 HydrophobicContact CE1-CD2 3.99Å; F87-I100 HydrophobicContact CZ-CD1 3.94Å; F87-I100 HydrophobicContact CZ-CG1 4.01Å; F87-D129 WeakPolarHBondContact CB-O 3.42Å; F87-D129 WeakPolarHBondContact CD2-O 3.33Å; F87-D129 PolarHBondContact N-O 3.42Å; F87-E131 HydrophobicContact CE2-CB 3.96Å; F87-E131 HydrophobicContact CZ-CB 4.49Å; F87-Y151 VanDerWaalsContact CA-O 3.28Å; F87-Y151 WeakPolarHBondContact CA-O 3.41Å; F87-Y151 WeakPolarHBondContact CD1-O 3.47Å; F87-I152 HydrophobicContact CD1-CG1 4.2Å; F87-I152 HydrophobicContact CE1-CG1 4.01Å
88	T	90.9	Very high	89.2	Confident	86 Å²	86	44.4 Å²	44.4	53%	0.528	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-8.2	178	53	0	0	0	0	114	Y151 K153	T88-Y151 PolarHBondContact N-O 2.88Å; T88-K153 HydrophobicContact CG2-CB 4.12Å
89	G	91.1	Very high	90.1	Very high	25 Å²	25	46.3 Å²	46.3	26%	0.258	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	-178.7	178.2	0	0	0	0	0	112.5	F87 F91 D129	F87-G89 PolarHBondContact O-N 3.4Å; G89-F91 WeakPolarHBondContact O-CD2 3.49Å; G89-F91 WeakPolarHBondContact O-CE2 3.31Å; G89-D129 WeakPolarHBondContact O-CA 3.44Å
90	Y	92.6	Very high	90.6	Very high	92 Å²	92	45.7 Å²	45.7	36%	0.361	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	119.1	-179.9	-76.1	-90.8	0	0	0	111.7	P127 D129 N327 E357	Y90-P127 WeakPolarHBondContact CD1-O 3.48Å; Y90-D129 HydrophobicContact CD1-CB 4.23Å; Y90-D129 HydrophobicContact CD2-CB 4.49Å; Y90-D129 HydrophobicContact CE1-CB 4.16Å; Y90-D129 HydrophobicContact CE2-CB 4.44Å; Y90-D129 HydrophobicContact CG-CB 4.39Å; Y90-N327 PolarHBondContact OH-OD1 3.37Å; Y90-E357 WeakPolarHBondContact CE2-OE1 3.41Å; Y90-E357 PolarHBondContact OH-OE1 2.97Å
91	F	93.8	Very high	91.1	Very high	42 Å²	42	43.2 Å²	43.2	18%	0.184	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150	-176.3	-63	-70	0	0	0	112	F87 G89 A95 R96 Y99 P127 S128 Y151	F87-F91 HydrophobicContact CB-CD2 3.8Å; F87-F91 HydrophobicContact CB-CE2 3.91Å; F87-F91 HydrophobicContact CD1-CD2 4.35Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; G89-F91 WeakPolarHBondContact O-CD2 3.49Å; G89-F91 WeakPolarHBondContact O-CE2 3.31Å; F91-A95 HydrophobicContact CB-CB 4.22Å; F91-R96 HydrophobicContact CB-CG 3.62Å; F91-R96 PolarHBondContact O-NE 3.47Å; F91-Y99 HydrophobicContact CB-CE2 4.49Å; F91-Y99 AromaticContact CD1-CE2 3.89Å; F91-Y99 HydrophobicContact CD1-CE2 3.89Å; F91-Y99 HydrophobicContact CD2-CE2 4.03Å; F91-Y99 HydrophobicContact CE1-CE2 4.05Å; F91-Y99 HydrophobicContact CE2-CE2 4.18Å; F91-Y99 AromaticContact CG-CE2 3.88Å; F91-Y99 HydrophobicContact CG-CE2 3.88Å; F91-Y99 HydrophobicContact CZ-CE2 4.2Å; F91-P127 WeakPolarHBondContact O-CA 3.17Å; F91-S128 PolarHBondContact N-O 3.35Å; F91-S128 PolarHBondContact O-N 3.18Å; F91-S128 VanDerWaalsContact O-N 3.14Å; F91-Y151 AromaticContact CZ-CD1 3.89Å; F91-Y151 HydrophobicContact CZ-CD1 3.89Å
92	S	92.8	Very high	91.2	Very high	64 Å²	64	42.9 Å²	42.9	45%	0.448	24%	0.24	S	C	.	.			trans	-63.2	154	172.5	70.5	0	0	0	0	111.2	K94 A95 R96	S92-K94 PolarHBondContact O-N 3.45Å; S92-A95 PolarHBondContact O-N 3.37Å; S92-A95 PolarHBondContact OG-N 3.28Å; S92-R96 PolarHBondContact O-N 3.2Å
93	A	90.4	Very high	91.1	Very high	52 Å²	52	41.5 Å²	41.5	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-55.7	-35.7	178.4	0	0	0	0	0	113.5	S97	A93-S97 WeakPolarHBondContact O-CB 3.39Å; A93-S97 PolarHBondContact O-N 2.91Å; A93-S97 VanDerWaalsContact O-N 3.1Å; A93-S97 PolarHBondContact O-OG 3.38Å
94	K	91.6	Very high	90.7	Very high	163 Å²	163	40.4 Å²	40.4	71%	0.709	23%	0.231	S	C	*	.	H	α-helix	trans	-67.6	-37.3	175.6	-171.3	176.7	179.3	-179.4	0	112.7	S92 S97 L98	S92-K94 PolarHBondContact O-N 3.45Å; K94-S97 PolarHBondContact O-OG 3.19Å; K94-L98 VanDerWaalsContact O-CG 3.26Å; K94-L98 WeakPolarHBondContact O-CG 3.39Å; K94-L98 PolarHBondContact O-N 3.5Å
95	A	92.4	Very high	89.9	Confident	20 Å²	20	49.3 Å²	49.3	17%	0.165	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-45.5	177.8	0	0	0	0	0	111.4	F91 S92 S97 L98 Y99	F91-A95 HydrophobicContact CB-CB 4.22Å; S92-A95 PolarHBondContact O-N 3.37Å; S92-A95 PolarHBondContact OG-N 3.28Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.83Å; A95-L98 WeakPolarHBondContact O-CB 3.38Å; A95-L98 PolarHBondContact O-N 3.12Å; A95-L98 VanDerWaalsContact O-N 3.14Å; A95-Y99 HydrophobicContact CB-CE2 4.27Å; A95-Y99 WeakPolarHBondContact O-CD2 3.46Å; A95-Y99 PolarHBondContact O-N 3.18Å
96	R	93.4	Very high	88.5	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-44.9	177.6	-66.5	-176.6	-66.1	116.1	21.2	111.9	F87 F91 S92 L98 Y99 I100 S128 F130 E131	F87-R96 HydrophobicContact CD2-CG 4Å; F87-R96 HydrophobicContact CE1-CB 4.45Å; F87-R96 HydrophobicContact CE1-CG 4.43Å; F87-R96 HydrophobicContact CE2-CB 3.87Å; F87-R96 HydrophobicContact CE2-CG 3.65Å; F87-R96 HydrophobicContact CZ-CB 3.73Å; F87-R96 HydrophobicContact CZ-CG 3.89Å; F91-R96 HydrophobicContact CB-CG 3.62Å; F91-R96 PolarHBondContact O-NE 3.47Å; S92-R96 PolarHBondContact O-N 3.2Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.97Å; R96-Y99 PolarHBondContact O-N 2.86Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 3.27Å; R96-S128 WeakPolarHBondContact CD-O 3.36Å; R96-F130 PolarHBondContact NH1-O 3.2Å; R96-E131 IonicContact CZ-OE1 3.92Å; R96-E131 IonicContact CZ-OE2 3.9Å; R96-E131 VanDerWaalsContact NH1-CB 3.29Å; R96-E131 IonicContact NH1-OE1 3.72Å; R96-E131 PolarHBondContact NH1-OE1 3.35Å; R96-E131 IonicContact NH1-OE2 3.52Å; R96-E131 PolarHBondContact NH1-OE2 3.44Å; R96-E131 IonicContact NH2-OE1 2.68Å; R96-E131 IonicContact NH2-OE2 3.67Å; R96-E131 PolarHBondContact NH2-OE2 3.31Å
97	S	91.6	Very high	86.9	Confident	39 Å²	39	52.5 Å²	52.5	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-36	177.3	67	0	0	0	0	112.9	A93 K94 A95 S101	A93-S97 WeakPolarHBondContact O-CB 3.39Å; A93-S97 PolarHBondContact O-N 2.91Å; A93-S97 VanDerWaalsContact O-N 3.1Å; A93-S97 PolarHBondContact O-OG 3.38Å; K94-S97 PolarHBondContact O-OG 3.19Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 2.83Å; S97-S101 VanDerWaalsContact O-CB 3.25Å; S97-S101 WeakPolarHBondContact O-CB 3.43Å; S97-S101 PolarHBondContact O-N 3.05Å; S97-S101 PolarHBondContact O-OG 2.9Å
98	L	91.8	Very high	85	Confident	93 Å²	93	56.2 Å²	56.2	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-46.3	173.9	-74.3	170.3	0	0	0	111.8	K94 A95 R96 S101 S102	K94-L98 VanDerWaalsContact O-CG 3.26Å; K94-L98 WeakPolarHBondContact O-CG 3.39Å; K94-L98 PolarHBondContact O-N 3.5Å; A95-L98 WeakPolarHBondContact O-CB 3.38Å; A95-L98 PolarHBondContact O-N 3.12Å; A95-L98 VanDerWaalsContact O-N 3.14Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.97Å; L98-S101 PolarHBondContact O-N 3.24Å; L98-S101 PolarHBondContact O-OG 2.82Å; L98-S102 WeakPolarHBondContact O-CB 3.24Å; L98-S102 PolarHBondContact O-N 3.43Å; L98-S102 PolarHBondContact O-OG 2.89Å
99	Y	91.8	Very high	83.3	Confident	54 Å²	54	56.7 Å²	56.7	21%	0.212	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-50.7	177.5	-61.7	-31.6	0	0	0	111.8	F87 F91 A95 R96 S101 S102 A103 H149 Y151	F87-Y99 HydrophobicContact CD1-CD2 4.15Å; F87-Y99 AromaticContact CE1-CD2 3.99Å; F87-Y99 HydrophobicContact CE1-CD2 3.99Å; F91-Y99 HydrophobicContact CB-CE2 4.49Å; F91-Y99 AromaticContact CD1-CE2 3.89Å; F91-Y99 HydrophobicContact CD1-CE2 3.89Å; F91-Y99 HydrophobicContact CD2-CE2 4.03Å; F91-Y99 HydrophobicContact CE1-CE2 4.05Å; F91-Y99 HydrophobicContact CE2-CE2 4.18Å; F91-Y99 AromaticContact CG-CE2 3.88Å; F91-Y99 HydrophobicContact CG-CE2 3.88Å; F91-Y99 HydrophobicContact CZ-CE2 4.2Å; A95-Y99 HydrophobicContact CB-CE2 4.27Å; A95-Y99 WeakPolarHBondContact O-CD2 3.46Å; A95-Y99 PolarHBondContact O-N 3.18Å; R96-Y99 PolarHBondContact O-N 2.86Å; Y99-S101 VanDerWaalsContact C-N 3.35Å; Y99-S101 PolarHBondContact O-N 3.43Å; Y99-S102 PolarHBondContact O-N 3.28Å; Y99-S102 VanDerWaalsContact O-N 3.12Å; Y99-S102 PolarHBondContact O-OG 3.38Å; Y99-A103 PolarHBondContact O-N 3.44Å; Y99-H149 AromaticContact CD1-CE1 3.83Å; Y99-H149 AromaticContact CG-CE1 3.91Å; Y99-Y151 HydrophobicContact CE1-CD2 4.24Å
100	I	90.1	Very high	81.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-46.2	177.1	-64.9	160.4	0	0	0	110.7	V85 F87 R96 S102 A103 L104 W114 I116 E131 V133 L146	V85-I100 HydrophobicContact CG1-CG1 4.38Å; F87-I100 HydrophobicContact CZ-CD1 3.94Å; F87-I100 HydrophobicContact CZ-CG1 4.01Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 3.27Å; I100-S102 PolarHBondContact O-N 3.21Å; I100-A103 PolarHBondContact O-N 2.98Å; I100-L104 HydrophobicContact CG2-CD1 3.75Å; I100-L104 HydrophobicContact CG2-CG 4.42Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 2.86Å; I100-W114 HydrophobicContact CB-CZ3 4.48Å; I100-W114 HydrophobicContact CG2-CE3 4.07Å; I100-W114 HydrophobicContact CG2-CH2 3.91Å; I100-W114 HydrophobicContact CG2-CZ3 3.62Å; I100-I116 HydrophobicContact CD1-CD1 4.44Å; I100-E131 HydrophobicContact CD1-CB 3.95Å; I100-E131 HydrophobicContact CD1-CG 4.09Å; I100-V133 HydrophobicContact CD1-CG2 3.67Å; I100-V133 HydrophobicContact CG1-CG2 4.47Å; I100-V133 HydrophobicContact CG2-CG2 4.33Å; I100-L146 HydrophobicContact CG2-CD2 4.42Å
101	S	88.4	Confident	79.8	Confident	18 Å²	18	70.8 Å²	70.8	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-25.3	179.4	80.8	0	0	0	0	113.8	S97 L98 Y99 R105	S97-S101 VanDerWaalsContact O-CB 3.25Å; S97-S101 WeakPolarHBondContact O-CB 3.43Å; S97-S101 PolarHBondContact O-N 3.05Å; S97-S101 PolarHBondContact O-OG 2.9Å; L98-S101 PolarHBondContact O-N 3.24Å; L98-S101 PolarHBondContact O-OG 2.82Å; Y99-S101 VanDerWaalsContact C-N 3.35Å; Y99-S101 PolarHBondContact O-N 3.43Å; S101-R105 WeakPolarHBondContact O-CB 3.41Å; S101-R105 VanDerWaalsContact O-CG 3.28Å; S101-R105 WeakPolarHBondContact O-CG 3.22Å; S101-R105 PolarHBondContact O-N 3.39Å; S101-R105 PolarHBondContact O-NE 3.4Å; S101-R105 PolarHBondContact OG-NH2 3.46Å
102	S	87.7	Confident	78.8	Confident	54 Å²	54	70.3 Å²	70.3	38%	0.378	39%	0.392	S	S	.	.	H	α-helix	trans	-81.9	-42.4	178.8	71.1	0	0	0	0	111.4	L98 Y99 I100 R105 H149	L98-S102 WeakPolarHBondContact O-CB 3.24Å; L98-S102 PolarHBondContact O-N 3.43Å; L98-S102 PolarHBondContact O-OG 2.89Å; Y99-S102 PolarHBondContact O-N 3.28Å; Y99-S102 VanDerWaalsContact O-N 3.12Å; Y99-S102 PolarHBondContact O-OG 3.38Å; I100-S102 PolarHBondContact O-N 3.21Å; S102-R105 PolarHBondContact O-N 3.37Å; S102-H149 PolarHBondContact OG-NE2 3.25Å
103	A	85.5	Confident	78.2	Confident	10 Å²	10	72.5 Å²	72.5	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-47.4	175.2	0	0	0	0	0	111.1	Y99 I100 R105 G106 L146 H149 I152	Y99-A103 PolarHBondContact O-N 3.44Å; I100-A103 PolarHBondContact O-N 2.98Å; A103-R105 VanDerWaalsContact C-N 3.27Å; A103-R105 PolarHBondContact O-N 2.92Å; A103-G106 PolarHBondContact O-N 2.73Å; A103-L146 HydrophobicContact CB-CD2 3.88Å; A103-H149 HydrophobicContact CB-CB 4.05Å; A103-I152 HydrophobicContact CB-CD1 4.34Å
104	L	80.3	Confident	78	Confident	15 Å²	15	73.9 Å²	73.9	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-72.9	-16.1	179.4	-64.8	175.6	0	0	0	113.8	I100 G106 W114 L146	I100-L104 HydrophobicContact CG2-CD1 3.75Å; I100-L104 HydrophobicContact CG2-CG 4.42Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 2.86Å; L104-G106 VanDerWaalsContact C-N 3.34Å; L104-W114 HydrophobicContact CD1-CB 4.37Å; L104-W114 HydrophobicContact CD1-CD2 3.51Å; L104-W114 HydrophobicContact CD1-CE3 4.08Å; L104-W114 HydrophobicContact CD1-CG 3.62Å; L104-W114 HydrophobicContact CD1-CZ2 4.21Å; L104-L146 HydrophobicContact CD1-CD2 4.34Å; L104-L146 HydrophobicContact CD2-CD1 4.2Å; L104-L146 HydrophobicContact CD2-CD2 3.76Å; L104-L146 HydrophobicContact CD2-CG 3.82Å; L104-L146 HydrophobicContact CG-CD2 3.76Å; L104-L146 HydrophobicContact CG-CG 4.39Å
105	R	74.6	Confident	78	Confident	187 Å²	187	70.5 Å²	70.5	71%	0.706	38%	0.375	S	S	*	.	H	α-helix	trans	-74.3	-23.9	171.8	-96	-176.6	-92.3	-173.7	-8.1	113	S101 S102 A103	S101-R105 WeakPolarHBondContact O-CB 3.41Å; S101-R105 VanDerWaalsContact O-CG 3.28Å; S101-R105 WeakPolarHBondContact O-CG 3.22Å; S101-R105 PolarHBondContact O-N 3.39Å; S101-R105 PolarHBondContact O-NE 3.4Å; S101-R105 PolarHBondContact OG-NH2 3.46Å; S102-R105 PolarHBondContact O-N 3.37Å; A103-R105 VanDerWaalsContact C-N 3.27Å; A103-R105 PolarHBondContact O-N 2.92Å
106	G	62.1	Low	77.9	Confident	65 Å²	65	71.8 Å²	71.8	67%	0.67	38%	0.379	S	S	*	.	H	α-helix	trans	-78.2	-22	177.3	0	0	0	0	0	113.8	A103 L104 G108	A103-G106 PolarHBondContact O-N 2.73Å; L104-G106 VanDerWaalsContact C-N 3.34Å; G106-G108 PolarHBondContact O-N 3.08Å
107	A	59.5	Low	77.7	Confident	15 Å²	15	73 Å²	73	12%	0.124	39%	0.387	C	S	.	.	S	Bend	trans	-71.3	110	172	0	0	0	0	0	108.7	D109 L112 T145	A107-D109 PolarHBondContact O-N 3.45Å; A107-L112 HydrophobicContact CB-CD1 4.25Å; A107-T145 HydrophobicContact CB-CG2 4.07Å
108	G	52.7	Low	77.5	Confident	82 Å²	82	75.5 Å²	75.5	85%	0.845	40%	0.402	S	S	*	.			trans	-59.7	9.3	-176.3	0	0	0	0	0	116.8	G106 K110	G106-G108 PolarHBondContact O-N 3.08Å; G108-K110 PolarHBondContact O-N 3.3Å
109	D	54.3	Low	77.3	Confident	96 Å²	96	72.4 Å²	72.4	51%	0.513	38%	0.384	S	S	.	.			trans	-89.3	100.7	177.5	-88.7	-34	0	0	0	111.5	A107 K111 L112	A107-D109 PolarHBondContact O-N 3.45Å; D109-K111 PolarHBondContact O-N 3.1Å; D109-L112 HydrophobicContact CB-CD1 4.08Å; D109-L112 HydrophobicContact CB-CG 4.4Å
110	K	53.8	Low	77	Confident	216 Å²	216	78.6 Å²	78.6	94%	0.939	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	21.7	172.3	-72.1	-177.3	176.2	176.8	0	114.5	G108	G108-K110 PolarHBondContact O-N 3.3Å
111	K	58.2	Low	76.8	Confident	198 Å²	198	79.5 Å²	79.5	86%	0.861	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.2	8.3	-172.2	-84.5	-172	177.5	-178.8	0	116.4	D109 E113	D109-K111 PolarHBondContact O-N 3.1Å; K111-E113 PolarHBondContact O-N 3.37Å
112	L	70.8	Confident	76.7	Confident	32 Å²	32	80.7 Å²	80.7	17%	0.168	43%	0.427	C	S	.	.			trans	-75.4	107	174.2	-78.3	154.5	0	0	0	110.8	A107 D109 W114 I135 S142	A107-L112 HydrophobicContact CB-CD1 4.25Å; D109-L112 HydrophobicContact CB-CD1 4.08Å; D109-L112 HydrophobicContact CB-CG 4.4Å; L112-W114 PolarHBondContact O-N 2.95Å; L112-I135 HydrophobicContact CD2-CG2 4.09Å; L112-S142 WeakPolarHBondContact CD1-OG 3.26Å
113	E	81.1	Confident	76.6	Confident	109 Å²	109	78.3 Å²	78.3	51%	0.509	41%	0.411	S	S	.	.			trans	-82.1	107.2	172.8	-167.8	-171.5	158.4	0	0	109.3	K111 K136	K111-E113 PolarHBondContact O-N 3.37Å; E113-K136 HydrophobicContact CB-CB 4.48Å; E113-K136 HydrophobicContact CB-CD 4.42Å; E113-K136 HydrophobicContact CG-CD 4.46Å; E113-K136 PolarHBondContact O-N 3.45Å; E113-K136 IonicContact OE1-NZ 2.69Å; E113-K136 PolarHBondContact OE1-NZ 3.06Å; E113-K136 WeakPolarHBondContact OE2-CD 3.5Å; E113-K136 IonicContact OE2-NZ 2.88Å; E113-K136 PolarHBondContact OE2-NZ 3.35Å
114	W	86.9	Confident	76.5	Confident	81 Å²	81	80.2 Å²	80.2	31%	0.307	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.5	178.6	71.1	-86	0	0	0	112.2	I100 L104 L112 I116 V133 H134 I135	I100-W114 HydrophobicContact CB-CZ3 4.48Å; I100-W114 HydrophobicContact CG2-CE3 4.07Å; I100-W114 HydrophobicContact CG2-CH2 3.91Å; I100-W114 HydrophobicContact CG2-CZ3 3.62Å; L104-W114 HydrophobicContact CD1-CB 4.37Å; L104-W114 HydrophobicContact CD1-CD2 3.51Å; L104-W114 HydrophobicContact CD1-CE3 4.08Å; L104-W114 HydrophobicContact CD1-CG 3.62Å; L104-W114 HydrophobicContact CD1-CZ2 4.21Å; L112-W114 PolarHBondContact O-N 2.95Å; W114-I116 HydrophobicContact CZ3-CD1 4.43Å; W114-I116 HydrophobicContact CZ3-CG1 4.06Å; W114-V133 HydrophobicContact CE3-CG1 4Å; W114-H134 CarbonylContact C-O 3.56Å; W114-H134 WeakPolarHBondContact CA-O 3.49Å; W114-I135 HydrophobicContact CB-CG1 4.1Å
115	H	90.3	Very high	76.6	Confident	92 Å²	92	86 Å²	86	43%	0.426	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.9	170.1	64.8	-78.8	0	0	0	110.7	H134	H115-H134 AromaticContact CE1-CG 3.48Å; H115-H134 VanDerWaalsContact CE1-CG 3.48Å; H115-H134 AromaticContact CE1-ND1 3.49Å; H115-H134 PolarHBondContact CE1-ND1 3.35Å; H115-H134 PolarHBondContact N-O 3.01Å; H115-H134 AromaticContact ND1-ND1 3.89Å; H115-H134 PolarHBondContact O-N 3.17Å
116	I	90.6	Very high	77.3	Confident	48 Å²	48	81.1 Å²	81.1	25%	0.246	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.9	174.4	-66.3	171.1	0	0	0	108.3	I100 W114 E131	I100-I116 HydrophobicContact CD1-CD1 4.44Å; W114-I116 HydrophobicContact CZ3-CD1 4.43Å; W114-I116 HydrophobicContact CZ3-CG1 4.06Å; I116-E131 HydrophobicContact CD1-CG 4.26Å; I116-E131 HydrophobicContact CG1-CG 4.23Å; I116-E131 VanDerWaalsContact CG2-CD 3.45Å; I116-E131 HydrophobicContact CG2-CG 3.57Å
117	V	90.1	Very high	78.7	Confident	28 Å²	28	81.1 Å²	81.1	17%	0.17	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-76.2	122.7	174.8	-178.4	0	0	0	0	108	E82 R119 L132 H134	E82-V117 HydrophobicContact CG-CG2 4.46Å; V117-R119 PolarHBondContact O-N 3.29Å; V117-L132 HydrophobicContact CB-CB 4.15Å; V117-L132 HydrophobicContact CB-CD2 3.78Å; V117-L132 HydrophobicContact CB-CG 3.86Å; V117-L132 HydrophobicContact CG1-CD2 3.82Å; V117-L132 HydrophobicContact CG1-CG 4.46Å; V117-L132 HydrophobicContact CG2-CD2 4.19Å; V117-L132 HydrophobicContact CG2-CG 4.02Å; V117-L132 PolarHBondContact N-O 3.42Å; V117-H134 HydrophobicContact CG2-CB 3.84Å
118	P	87.6	Confident	80.3	Confident	92 Å²	92	80.5 Å²	80.5	60%	0.597	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.5	-178.9	27.1	-33.5	0	0	0	110.8
119	R	87.8	Confident	82.2	Confident	29 Å²	29	77.7 Å²	77.7	11%	0.109	39%	0.387	C	S	.	.			trans	-96.8	89.7	175.2	-61.6	-176.3	-64.9	110.6	3.6	108.6	V117 N121 S124 E131 D324	V117-R119 PolarHBondContact O-N 3.29Å; R119-N121 VanDerWaalsContact C-N 3.32Å; R119-N121 PolarHBondContact O-N 3.27Å; R119-N121 VanDerWaalsContact O-N 3.09Å; R119-S124 VanDerWaalsContact O-CB 3.25Å; R119-S124 WeakPolarHBondContact O-CB 3.36Å; R119-E131 IonicContact CZ-OE1 3.17Å; R119-E131 IonicContact NE-OE1 2.88Å; R119-E131 PolarHBondContact NE-OE1 3.3Å; R119-E131 IonicContact NH2-OE1 2.69Å; R119-D324 WeakPolarHBondContact CD-OD2 3.42Å; R119-D324 IonicContact CZ-OD1 3.91Å; R119-D324 IonicContact NH1-OD1 3.09Å; R119-D324 PolarHBondContact NH1-OD1 3.37Å; R119-D324 IonicContact NH1-OD2 3.63Å; R119-D324 PolarHBondContact NH1-OD2 2.95Å
120	E	84.2	Confident	84.1	Confident	183 Å²	183	73.2 Å²	73.2	86%	0.855	36%	0.363	S	S	*	.			trans	-83.2	70.9	-179.5	-65.2	-175.6	-177.5	0	0	111.4
121	N	86.6	Confident	86	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.107	32%	0.32	C	S	.	.	S	Bend	trans	-147.9	169	-178.9	63.3	45.4	0	0	0	111.2	R119 A123 S124 W270 D324	R119-N121 VanDerWaalsContact C-N 3.32Å; R119-N121 PolarHBondContact O-N 3.27Å; R119-N121 VanDerWaalsContact O-N 3.09Å; N121-A123 PolarHBondContact O-N 3.46Å; N121-A123 WeakPolarHBondContact OD1-CB 3.46Å; N121-A123 PolarHBondContact OD1-N 3.44Å; N121-S124 VanDerWaalsContact O-CB 3.31Å; N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.39Å; N121-S124 PolarHBondContact O-OG 3.49Å; N121-S124 PolarHBondContact OD1-N 3.04Å; N121-W270 HydrophobicContact CB-CE3 3.77Å; N121-W270 HydrophobicContact CB-CZ3 3.84Å; N121-W270 WeakPolarHBondContact OD1-CZ3 3.47Å; N121-D324 PolarHBondContact ND2-OD2 2.64Å
122	P	85.8	Confident	87.6	Confident	43 Å²	43	54.4 Å²	54.4	28%	0.279	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.4	-177.4	-26.6	36.1	0	0	0	115.6	S124 F126 T268 W270 Y328	P122-S124 VanDerWaalsContact C-N 3.35Å; P122-F126 WeakPolarHBondContact O-CD2 3.31Å; P122-F126 WeakPolarHBondContact O-CE2 3.47Å; P122-T268 HydrophobicContact CG-CG2 4Å; P122-W270 HydrophobicContact CB-CH2 4.19Å; P122-W270 HydrophobicContact CG-CH2 4.44Å; P122-Y328 HydrophobicContact CB-CD2 4.23Å; P122-Y328 HydrophobicContact CB-CE2 3.76Å
123	A	85.6	Confident	88.6	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.033	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.9	176.4	0	0	0	0	0	113.2	N121 D125 F126 W270 D324	N121-A123 PolarHBondContact O-N 3.46Å; N121-A123 WeakPolarHBondContact OD1-CB 3.46Å; N121-A123 PolarHBondContact OD1-N 3.44Å; A123-D125 PolarHBondContact O-N 3.07Å; A123-F126 PolarHBondContact O-N 3.37Å; A123-W270 HydrophobicContact CB-CH2 3.92Å; A123-W270 HydrophobicContact CB-CZ3 3.67Å; A123-D324 HydrophobicContact CB-CB 4.09Å
124	S	83.5	Confident	89	Confident	50 Å²	50	49.3 Å²	49.3	35%	0.35	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.6	-179.7	65.2	0	0	0	0	113.6	R119 N121 P122 F126	R119-S124 VanDerWaalsContact O-CB 3.25Å; R119-S124 WeakPolarHBondContact O-CB 3.36Å; N121-S124 VanDerWaalsContact O-CB 3.31Å; N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.39Å; N121-S124 PolarHBondContact O-OG 3.49Å; N121-S124 PolarHBondContact OD1-N 3.04Å; P122-S124 VanDerWaalsContact C-N 3.35Å; S124-F126 VanDerWaalsContact C-N 3.25Å; S124-F126 PolarHBondContact O-N 3.02Å
125	D	83.2	Confident	89	Confident	135 Å²	135	45.5 Å²	45.5	72%	0.722	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.3	-174.3	-61.5	-16.9	0	0	0	112.5	A123	A123-D125 PolarHBondContact O-N 3.07Å
126	F	89.1	Confident	88.5	Confident	86 Å²	86	45.5 Å²	45.5	38%	0.377	24%	0.241	S	C	.	.	S	Bend	trans	-112.8	155.4	-176.4	-60.1	-82.2	0	0	0	111.7	P122 A123 S124 S128 Y328 L331	P122-F126 WeakPolarHBondContact O-CD2 3.31Å; P122-F126 WeakPolarHBondContact O-CE2 3.47Å; A123-F126 PolarHBondContact O-N 3.37Å; S124-F126 VanDerWaalsContact C-N 3.25Å; S124-F126 PolarHBondContact O-N 3.02Å; F126-S128 PolarHBondContact O-N 2.82Å; F126-Y328 HydrophobicContact CE2-CD2 4.42Å; F126-Y328 HydrophobicContact CE2-CE2 4.14Å; F126-L331 HydrophobicContact CB-CD1 3.58Å; F126-L331 HydrophobicContact CD1-CD1 3.97Å; F126-L331 HydrophobicContact CD2-CD1 4.03Å; F126-L331 HydrophobicContact CG-CD1 3.57Å
127	P	91.6	Very high	87.4	Confident	65 Å²	65	51.3 Å²	51.3	42%	0.422	27%	0.267	S	S	.	.			trans	-53.7	141.4	167.9	-24.7	35.5	0	0	0	110.8	Y90 F91	Y90-P127 WeakPolarHBondContact CD1-O 3.48Å; F91-P127 WeakPolarHBondContact O-CA 3.17Å
128	S	91.9	Very high	85.9	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.3	177	-174.1	0	0	0	0	109.5	F91 R96 F126 F130	F91-S128 PolarHBondContact N-O 3.35Å; F91-S128 PolarHBondContact O-N 3.18Å; F91-S128 VanDerWaalsContact O-N 3.14Å; R96-S128 WeakPolarHBondContact CD-O 3.36Å; F126-S128 PolarHBondContact O-N 2.82Å; S128-F130 WeakPolarHBondContact OG-CD1 3.28Å; S128-F130 PolarHBondContact OG-N 2.88Å; S128-F130 PolarHBondContact OG-O 3.46Å
129	D	92.8	Very high	84.8	Confident	22 Å²	22	48.9 Å²	48.9	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	2.9	175.5	71	-49.9	0	0	0	112.4	F87 G89 Y90 N327 K354	F87-D129 WeakPolarHBondContact CB-O 3.42Å; F87-D129 WeakPolarHBondContact CD2-O 3.33Å; F87-D129 PolarHBondContact N-O 3.42Å; G89-D129 WeakPolarHBondContact O-CA 3.44Å; Y90-D129 HydrophobicContact CD1-CB 4.23Å; Y90-D129 HydrophobicContact CD2-CB 4.49Å; Y90-D129 HydrophobicContact CE1-CB 4.16Å; Y90-D129 HydrophobicContact CE2-CB 4.44Å; Y90-D129 HydrophobicContact CG-CB 4.39Å; D129-N327 PolarHBondContact OD1-ND2 3.39Å; D129-N327 PolarHBondContact OD1-OD1 3.02Å; D129-K354 IonicContact OD1-NZ 3.65Å; D129-K354 PolarHBondContact OD1-NZ 2.93Å; D129-K354 IonicContact OD2-NZ 2.86Å; D129-K354 PolarHBondContact OD2-NZ 3.47Å
130	F	94.1	Very high	83.6	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.7	173.2	81	-81.4	0	0	0	111.5	I84 V85 R96 S128 L323 D324	I84-F130 HydrophobicContact CG2-CB 4.06Å; I84-F130 HydrophobicContact CG2-CD2 3.92Å; I84-F130 HydrophobicContact CG2-CG 4.31Å; V85-F130 CarbonylContact O-C 3.54Å; V85-F130 WeakPolarHBondContact O-CA 3.44Å; R96-F130 PolarHBondContact NH1-O 3.2Å; S128-F130 WeakPolarHBondContact OG-CD1 3.28Å; S128-F130 PolarHBondContact OG-N 2.88Å; S128-F130 PolarHBondContact OG-O 3.46Å; F130-L323 HydrophobicContact CD1-CB 3.84Å; F130-L323 HydrophobicContact CD1-CD1 4.06Å; F130-L323 HydrophobicContact CD2-CD1 4.04Å; F130-L323 HydrophobicContact CE1-CB 3.35Å; F130-L323 HydrophobicContact CE1-CD1 4.24Å; F130-L323 HydrophobicContact CE1-CG 4.44Å; F130-L323 HydrophobicContact CE2-CB 4.36Å; F130-L323 HydrophobicContact CE2-CD1 4.2Å; F130-L323 HydrophobicContact CG-CD1 3.95Å; F130-L323 HydrophobicContact CZ-CB 3.64Å; F130-L323 HydrophobicContact CZ-CD1 4.29Å; F130-D324 WeakPolarHBondContact CE1-OD1 3.37Å; F130-D324 HydrophobicContact CZ-CB 4.47Å; F130-D324 WeakPolarHBondContact CZ-OD1 3.36Å
131	E	93.3	Very high	82.5	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.7	167.1	-167.7	67.4	-64.5	0	0	111	V85 F87 R96 I100 I116 R119	V85-E131 PolarHBondContact N-O 3.11Å; V85-E131 PolarHBondContact O-N 2.92Å; F87-E131 HydrophobicContact CE2-CB 3.96Å; F87-E131 HydrophobicContact CZ-CB 4.49Å; R96-E131 IonicContact CZ-OE1 3.92Å; R96-E131 IonicContact CZ-OE2 3.9Å; R96-E131 VanDerWaalsContact NH1-CB 3.29Å; R96-E131 IonicContact NH1-OE1 3.72Å; R96-E131 PolarHBondContact NH1-OE1 3.35Å; R96-E131 IonicContact NH1-OE2 3.52Å; R96-E131 PolarHBondContact NH1-OE2 3.44Å; R96-E131 IonicContact NH2-OE1 2.68Å; R96-E131 IonicContact NH2-OE2 3.67Å; R96-E131 PolarHBondContact NH2-OE2 3.31Å; I100-E131 HydrophobicContact CD1-CB 3.95Å; I100-E131 HydrophobicContact CD1-CG 4.09Å; I116-E131 HydrophobicContact CD1-CG 4.26Å; I116-E131 HydrophobicContact CG1-CG 4.23Å; I116-E131 VanDerWaalsContact CG2-CD 3.45Å; I116-E131 HydrophobicContact CG2-CG 3.57Å; R119-E131 IonicContact CZ-OE1 3.17Å; R119-E131 IonicContact NE-OE1 2.88Å; R119-E131 PolarHBondContact NE-OE1 3.3Å; R119-E131 IonicContact NH2-OE1 2.69Å
132	L	92.4	Very high	81.6	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.9	174.1	-171.4	61.9	0	0	0	110.1	E82 I84 V117 Q158	E82-L132 HydrophobicContact CB-CD1 4.15Å; I84-L132 HydrophobicContact CG1-CD1 4.26Å; V117-L132 HydrophobicContact CB-CB 4.15Å; V117-L132 HydrophobicContact CB-CD2 3.78Å; V117-L132 HydrophobicContact CB-CG 3.86Å; V117-L132 HydrophobicContact CG1-CD2 3.82Å; V117-L132 HydrophobicContact CG1-CG 4.46Å; V117-L132 HydrophobicContact CG2-CD2 4.19Å; V117-L132 HydrophobicContact CG2-CG 4.02Å; V117-L132 PolarHBondContact N-O 3.42Å; L132-Q158 HydrophobicContact CD1-CB 3.9Å; L132-Q158 HydrophobicContact CD1-CG 4.05Å
133	V	91.8	Very high	80.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.5	-176.7	-172	0	0	0	0	109.6	E82 Y83 V85 I100 W114 I135	E82-V133 WeakPolarHBondContact CA-O 3.38Å; Y83-V133 PolarHBondContact N-O 2.91Å; Y83-V133 PolarHBondContact O-N 3.36Å; V85-V133 HydrophobicContact CG2-CB 4.37Å; V85-V133 HydrophobicContact CG2-CG2 3.72Å; I100-V133 HydrophobicContact CD1-CG2 3.67Å; I100-V133 HydrophobicContact CG1-CG2 4.47Å; I100-V133 HydrophobicContact CG2-CG2 4.33Å; W114-V133 HydrophobicContact CE3-CG1 4Å; V133-I135 HydrophobicContact CG1-CD1 4.16Å; V133-I135 HydrophobicContact CG1-CG1 3.72Å
134	H	90.8	Very high	80.1	Confident	34 Å²	34	49.7 Å²	49.7	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.1	171.3	-178.1	-71.1	0	0	0	109.8	H81 W114 H115 V117	H81-H134 WeakPolarHBondContact CB-NE2 3.31Å; H81-H134 CarbonylContact O-C 3.36Å; H81-H134 WeakPolarHBondContact O-CA 3.26Å; W114-H134 CarbonylContact C-O 3.56Å; W114-H134 WeakPolarHBondContact CA-O 3.49Å; H115-H134 AromaticContact CE1-CG 3.48Å; H115-H134 VanDerWaalsContact CE1-CG 3.48Å; H115-H134 AromaticContact CE1-ND1 3.49Å; H115-H134 PolarHBondContact CE1-ND1 3.35Å; H115-H134 PolarHBondContact N-O 3.01Å; H115-H134 AromaticContact ND1-ND1 3.89Å; H115-H134 PolarHBondContact O-N 3.17Å; V117-H134 HydrophobicContact CG2-CB 3.84Å
135	I	86.5	Confident	79.9	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.6	-179.5	-52	177.9	0	0	0	109	H81 Y83 L112 W114 V133 A138 L146	H81-I135 WeakPolarHBondContact CB-O 3.25Å; H81-I135 PolarHBondContact CD2-O 3.07Å; H81-I135 PolarHBondContact O-N 3.38Å; Y83-I135 HydrophobicContact CD2-CB 4.21Å; Y83-I135 HydrophobicContact CD2-CD1 4.17Å; Y83-I135 HydrophobicContact CD2-CG1 4.2Å; Y83-I135 HydrophobicContact CE2-CB 4.15Å; L112-I135 HydrophobicContact CD2-CG2 4.09Å; W114-I135 HydrophobicContact CB-CG1 4.1Å; V133-I135 HydrophobicContact CG1-CD1 4.16Å; V133-I135 HydrophobicContact CG1-CG1 3.72Å; I135-A138 HydrophobicContact CB-CB 4.5Å; I135-A138 HydrophobicContact CG2-CB 4.09Å; I135-L146 HydrophobicContact CD1-CD1 3.91Å
136	K	79.6	Confident	79.8	Confident	92 Å²	92	42.6 Å²	42.6	40%	0.4	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	130.3	175.7	-72.4	-174.8	-171	165.2	0	110.2	E113	E113-K136 HydrophobicContact CB-CB 4.48Å; E113-K136 HydrophobicContact CB-CD 4.42Å; E113-K136 HydrophobicContact CG-CD 4.46Å; E113-K136 PolarHBondContact O-N 3.45Å; E113-K136 IonicContact OE1-NZ 2.69Å; E113-K136 PolarHBondContact OE1-NZ 3.06Å; E113-K136 WeakPolarHBondContact OE2-CD 3.5Å; E113-K136 IonicContact OE2-NZ 2.88Å; E113-K136 PolarHBondContact OE2-NZ 3.35Å
137	Q	66.4	Low	79.4	Confident	169 Å²	169	42.5 Å²	42.5	79%	0.79	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	56	177.6	-64.2	178.1	-16.9	0	0	113.6	H81 S139	H81-Q137 PolarHBondContact CD2-N 3.49Å; Q137-S139 PolarHBondContact O-N 3.48Å; Q137-S139 VanDerWaalsContact O-N 3.09Å
138	A	60.5	Low	79.1	Confident	27 Å²	27	45.7 Å²	45.7	22%	0.223	25%	0.25	C	S	.	.			trans	-61.8	113.1	174.9	0	0	0	0	0	110.6	Y83 I135 L143	Y83-A138 HydrophobicContact CE2-CB 3.97Å; Y83-A138 WeakPolarHBondContact OH-CB 3.45Å; I135-A138 HydrophobicContact CB-CB 4.5Å; I135-A138 HydrophobicContact CG2-CB 4.09Å; A138-L143 HydrophobicContact CB-CD1 4.48Å; A138-L143 HydrophobicContact CB-CD2 4.18Å; A138-L143 HydrophobicContact CB-CG 4.23Å
139	S	63.5	Low	78.9	Confident	43 Å²	43	47 Å²	47	30%	0.301	26%	0.256	S	S	.	.			trans	-73.2	153.4	164.5	60.1	0	0	0	0	109.6	Q137 S141 S142 L143	Q137-S139 PolarHBondContact O-N 3.48Å; Q137-S139 VanDerWaalsContact O-N 3.09Å; S139-S141 PolarHBondContact O-N 3.07Å; S139-S141 PolarHBondContact OG-OG 3.43Å; S139-S142 WeakPolarHBondContact O-CB 3.38Å; S139-S142 PolarHBondContact O-N 3.26Å; S139-S142 PolarHBondContact OG-N 3.24Å; S139-S142 PolarHBondContact OG-OG 3.33Å; S139-L143 PolarHBondContact O-N 3.45Å
140	S	61.9	Low	78.7	Confident	96 Å²	96	50.9 Å²	50.9	67%	0.671	28%	0.283	S	S	*	.	H	α-helix	trans	-54.7	-34.3	174.8	50.5	0	0	0	0	112.4	S142 L143 L144	S140-S142 VanDerWaalsContact C-N 3.32Å; S140-S142 PolarHBondContact O-N 3.32Å; S140-L143 PolarHBondContact O-N 3.44Å; S140-L144 WeakPolarHBondContact O-CG 3.43Å; S140-L144 PolarHBondContact O-N 2.95Å
141	S	62.6	Low	78.5	Confident	62 Å²	62	56.2 Å²	56.2	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-32.4	174.8	57.6	0	0	0	0	113.8	S139 T145	S139-S141 PolarHBondContact O-N 3.07Å; S139-S141 PolarHBondContact OG-OG 3.43Å; S141-T145 WeakPolarHBondContact O-CG2 3.43Å; S141-T145 PolarHBondContact O-N 2.84Å
142	S	66.1	Low	78.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-76.2	-27.5	-179.8	-56.3	0	0	0	0	113.1	L112 S139 S140 T145	L112-S142 WeakPolarHBondContact CD1-OG 3.26Å; S139-S142 WeakPolarHBondContact O-CB 3.38Å; S139-S142 PolarHBondContact O-N 3.26Å; S139-S142 PolarHBondContact OG-N 3.24Å; S139-S142 PolarHBondContact OG-OG 3.33Å; S140-S142 VanDerWaalsContact C-N 3.32Å; S140-S142 PolarHBondContact O-N 3.32Å; S142-T145 PolarHBondContact O-OG1 3.08Å
143	L	71.6	Confident	78.2	Confident	42 Å²	42	61.3 Å²	61.3	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-77.7	-40.3	174.8	-64	176.2	0	0	0	110.6	Y83 A138 S139 S140 T145 L146 E147 V155	Y83-L143 HydrophobicContact CD1-CD2 3.87Å; Y83-L143 HydrophobicContact CE1-CD1 3.94Å; Y83-L143 HydrophobicContact CE1-CD2 3.73Å; Y83-L143 HydrophobicContact CE2-CD2 4.4Å; Y83-L143 HydrophobicContact CG-CD2 4.28Å; A138-L143 HydrophobicContact CB-CD1 4.48Å; A138-L143 HydrophobicContact CB-CD2 4.18Å; A138-L143 HydrophobicContact CB-CG 4.23Å; S139-L143 PolarHBondContact O-N 3.45Å; S140-L143 PolarHBondContact O-N 3.44Å; L143-T145 VanDerWaalsContact C-N 3.31Å; L143-T145 PolarHBondContact O-N 2.68Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.07Å; L143-L146 VanDerWaalsContact O-N 3.17Å; L143-E147 PolarHBondContact O-N 3.37Å; L143-V155 HydrophobicContact CD2-CG1 4.22Å
144	L	68.9	Low	77.9	Confident	95 Å²	95	63.4 Å²	63.4	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-39.1	175.2	-71	166.9	0	0	0	112.1	S140 L146 E147 D148	S140-L144 WeakPolarHBondContact O-CG 3.43Å; S140-L144 PolarHBondContact O-N 2.95Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.29Å; L144-E147 PolarHBondContact O-N 2.87Å; L144-E147 VanDerWaalsContact O-N 3.09Å; L144-D148 VanDerWaalsContact O-CG 3.31Å; L144-D148 PolarHBondContact O-N 3.49Å
145	T	78.5	Confident	77.8	Confident	35 Å²	35	62.5 Å²	62.5	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-26.9	178.2	59	0	0	0	0	113.9	A107 S141 S142 L143	A107-T145 HydrophobicContact CB-CG2 4.07Å; S141-T145 WeakPolarHBondContact O-CG2 3.43Å; S141-T145 PolarHBondContact O-N 2.84Å; S142-T145 PolarHBondContact O-OG1 3.08Å; L143-T145 VanDerWaalsContact C-N 3.31Å; L143-T145 PolarHBondContact O-N 2.68Å
146	L	82	Confident	77.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-72.4	-40.6	171.7	-73.2	170.3	0	0	0	111	I100 A103 L104 I135 L143 L144 D148 H149 I152 V155	I100-L146 HydrophobicContact CG2-CD2 4.42Å; A103-L146 HydrophobicContact CB-CD2 3.88Å; L104-L146 HydrophobicContact CD1-CD2 4.34Å; L104-L146 HydrophobicContact CD2-CD1 4.2Å; L104-L146 HydrophobicContact CD2-CD2 3.76Å; L104-L146 HydrophobicContact CD2-CG 3.82Å; L104-L146 HydrophobicContact CG-CD2 3.76Å; L104-L146 HydrophobicContact CG-CG 4.39Å; I135-L146 HydrophobicContact CD1-CD1 3.91Å; L143-L146 WeakPolarHBondContact O-CB 3.34Å; L143-L146 PolarHBondContact O-N 3.07Å; L143-L146 VanDerWaalsContact O-N 3.17Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 3.29Å; L146-D148 VanDerWaalsContact C-N 3.29Å; L146-D148 PolarHBondContact O-N 3.19Å; L146-H149 WeakPolarHBondContact O-CB 3.42Å; L146-H149 PolarHBondContact O-N 2.96Å; L146-I152 HydrophobicContact CB-CD1 4.43Å; L146-I152 HydrophobicContact CD2-CD1 4.12Å; L146-I152 WeakPolarHBondContact O-CB 3.5Å; L146-I152 VanDerWaalsContact O-CD1 3.31Å; L146-I152 WeakPolarHBondContact O-CD1 3.24Å; L146-I152 WeakPolarHBondContact O-CG2 3.37Å; L146-V155 HydrophobicContact CB-CG2 3.62Å; L146-V155 HydrophobicContact CD1-CG1 4.37Å; L146-V155 HydrophobicContact CD1-CG2 4.14Å
147	E	81.2	Confident	77.9	Confident	85 Å²	85	61.6 Å²	61.6	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-69	-27.4	179.6	-66.3	-175.2	157.8	0	0	112.8	L143 L144 H149 V155	L143-E147 PolarHBondContact O-N 3.37Å; L144-E147 PolarHBondContact O-N 2.87Å; L144-E147 VanDerWaalsContact O-N 3.09Å; E147-H149 PolarHBondContact O-N 3.21Å; E147-V155 HydrophobicContact CG-CB 4.24Å; E147-V155 HydrophobicContact CG-CG2 4.02Å
148	D	84.6	Confident	78.7	Confident	131 Å²	131	53.5 Å²	53.5	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.7	176	-71	-26	0	0	0	113.8	L144 L146	L144-D148 VanDerWaalsContact O-CG 3.31Å; L144-D148 PolarHBondContact O-N 3.49Å; L146-D148 VanDerWaalsContact C-N 3.29Å; L146-D148 PolarHBondContact O-N 3.19Å
149	H	87.3	Confident	79.7	Confident	30 Å²	30	53.2 Å²	53.2	14%	0.139	29%	0.289	C	S	.	.	S	Bend	trans	-78.8	131.1	-177.9	-175.1	-84.8	0	0	0	111.8	Y99 S102 A103 L146 E147 Y151 I152	Y99-H149 AromaticContact CD1-CE1 3.83Å; Y99-H149 AromaticContact CG-CE1 3.91Å; S102-H149 PolarHBondContact OG-NE2 3.25Å; A103-H149 HydrophobicContact CB-CB 4.05Å; L146-H149 WeakPolarHBondContact O-CB 3.42Å; L146-H149 PolarHBondContact O-N 2.96Å; E147-H149 PolarHBondContact O-N 3.21Å; H149-Y151 VanDerWaalsContact C-N 3.26Å; H149-Y151 AromaticContact CE1-CD2 3.72Å; H149-Y151 PolarHBondContact ND1-N 3.41Å; H149-Y151 PolarHBondContact O-N 2.86Å; H149-I152 HydrophobicContact CB-CB 4.2Å; H149-I152 HydrophobicContact CB-CD1 3.9Å; H149-I152 HydrophobicContact CB-CG1 4.05Å; H149-I152 PolarHBondContact O-N 3.32Å
150	P	88.9	Confident	80.5	Confident	104 Å²	104	53.4 Å²	53.4	68%	0.675	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	-168.6	24.6	-36.1	0	0	0	115.5
151	Y	90.6	Very high	81.2	Confident	113 Å²	113	49.4 Å²	49.4	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-4.6	177.6	-63.8	-76.1	0	0	0	113.8	F87 T88 F91 Y99 H149	F87-Y151 VanDerWaalsContact CA-O 3.28Å; F87-Y151 WeakPolarHBondContact CA-O 3.41Å; F87-Y151 WeakPolarHBondContact CD1-O 3.47Å; T88-Y151 PolarHBondContact N-O 2.88Å; F91-Y151 AromaticContact CZ-CD1 3.89Å; F91-Y151 HydrophobicContact CZ-CD1 3.89Å; Y99-Y151 HydrophobicContact CE1-CD2 4.24Å; H149-Y151 VanDerWaalsContact C-N 3.26Å; H149-Y151 AromaticContact CE1-CD2 3.72Å; H149-Y151 PolarHBondContact ND1-N 3.41Å; H149-Y151 PolarHBondContact O-N 2.86Å
152	I	90.4	Very high	81.8	Confident	9 Å²	9	49 Å²	49	5%	0.046	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.6	174.4	-65.9	179	0	0	0	106.7	V85 F87 A103 L146 H149 V155	V85-I152 HydrophobicContact CG1-CD1 3.85Å; V85-I152 HydrophobicContact CG1-CG1 3.98Å; V85-I152 HydrophobicContact CG1-CG2 3.86Å; F87-I152 HydrophobicContact CD1-CG1 4.2Å; F87-I152 HydrophobicContact CE1-CG1 4.01Å; A103-I152 HydrophobicContact CB-CD1 4.34Å; L146-I152 HydrophobicContact CB-CD1 4.43Å; L146-I152 HydrophobicContact CD2-CD1 4.12Å; L146-I152 WeakPolarHBondContact O-CB 3.5Å; L146-I152 VanDerWaalsContact O-CD1 3.31Å; L146-I152 WeakPolarHBondContact O-CD1 3.24Å; L146-I152 WeakPolarHBondContact O-CG2 3.37Å; H149-I152 HydrophobicContact CB-CB 4.2Å; H149-I152 HydrophobicContact CB-CD1 3.9Å; H149-I152 HydrophobicContact CB-CG1 4.05Å; H149-I152 PolarHBondContact O-N 3.32Å; I152-V155 HydrophobicContact CG2-CG2 4.03Å
153	K	87.7	Confident	82.1	Confident	117 Å²	117	49.3 Å²	49.3	51%	0.509	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-43.7	-179.9	-177.3	-173.5	178	-162.7	0	110.9	A86 T88 D353	A86-K153 PolarHBondContact O-N 2.86Å; T88-K153 HydrophobicContact CG2-CB 4.12Å; K153-D353 IonicContact NZ-OD2 2.67Å; K153-D353 PolarHBondContact NZ-OD2 2.99Å
154	R	87	Confident	82.1	Confident	45 Å²	45	49.3 Å²	49.3	17%	0.17	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	150.6	-174.8	-169.3	171.8	56.5	-134.5	-8.3	110.7	A86 T156 H349 P350 D353	A86-R154 PolarHBondContact N-O 3.44Å; A86-R154 PolarHBondContact O-N 3.33Å; R154-T156 HydrophobicContact CG-CG2 3.83Å; R154-H349 VanDerWaalsContact NH2-CB 3.25Å; R154-H349 PolarHBondContact NH2-O 3.25Å; R154-P350 VanDerWaalsContact NH2-N 3.1Å; R154-D353 IonicContact CZ-OD2 2.7Å; R154-D353 IonicContact NH1-OD2 3.41Å; R154-D353 PolarHBondContact NH1-OD2 2.86Å; R154-D353 IonicContact NH2-OD2 3.13Å; R154-D353 PolarHBondContact NH2-OD2 2.87Å
155	V	87.6	Confident	82.3	Confident	14 Å²	14	45.3 Å²	45.3	9%	0.085	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.7	166.7	-175.5	0	0	0	0	108.8	Y83 I84 V85 L143 L146 E147 I152	Y83-V155 HydrophobicContact CD1-CG1 4.21Å; Y83-V155 HydrophobicContact CG-CG1 4.38Å; I84-V155 WeakPolarHBondContact O-CA 3.42Å; V85-V155 HydrophobicContact CG1-CG2 4.47Å; V85-V155 HydrophobicContact CG2-CG1 4.42Å; V85-V155 HydrophobicContact CG2-CG2 4.31Å; L143-V155 HydrophobicContact CD2-CG1 4.22Å; L146-V155 HydrophobicContact CB-CG2 3.62Å; L146-V155 HydrophobicContact CD1-CG1 4.37Å; L146-V155 HydrophobicContact CD1-CG2 4.14Å; E147-V155 HydrophobicContact CG-CB 4.24Å; E147-V155 HydrophobicContact CG-CG2 4.02Å; I152-V155 HydrophobicContact CG2-CG2 4.03Å
156	T	85	Confident	82	Confident	17 Å²	17	48 Å²	48	10%	0.104	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.1	178.5	49.9	0	0	0	0	109.7	Y83 I84 R154 P350	Y83-T156 CarbonylContact C-O 3.57Å; Y83-T156 WeakPolarHBondContact CA-O 3.46Å; I84-T156 PolarHBondContact N-O 3.09Å; I84-T156 PolarHBondContact O-N 3.39Å; R154-T156 HydrophobicContact CG-CG2 3.83Å; T156-P350 HydrophobicContact CG2-CG 3.98Å; T156-P350 WeakPolarHBondContact OG1-CG 3.22Å
157	P	83.8	Confident	81.6	Confident	58 Å²	58	51 Å²	51	38%	0.377	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.5	177.3	36.2	-39.3	0	0	0	109.9	V78 Y83	V78-P157 HydrophobicContact CG1-CB 3.44Å; V78-P157 VanDerWaalsContact CG1-CB 3.44Å; V78-P157 HydrophobicContact CG1-CG 3.89Å; Y83-P157 HydrophobicContact CD1-CB 4.18Å; Y83-P157 HydrophobicContact CE1-CB 4.22Å
158	Q	83.6	Confident	81.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.7	-179.8	172.4	70	37.4	0	0	110.1	V78 V79 E82 I84 L132 Y318 T319 S320	V78-Q158 CarbonylContact C-O 3.55Å; V78-Q158 WeakPolarHBondContact CA-O 3.37Å; V78-Q158 WeakPolarHBondContact CG1-O 3.29Å; V79-Q158 HydrophobicContact CB-CB 4.23Å; V79-Q158 HydrophobicContact CB-CG 4.12Å; V79-Q158 HydrophobicContact CG2-CB 4.35Å; V79-Q158 HydrophobicContact CG2-CG 3.78Å; V79-Q158 PolarHBondContact N-O 3.2Å; E82-Q158 HydrophobicContact CB-CB 3.84Å; E82-Q158 HydrophobicContact CB-CG 4.41Å; E82-Q158 WeakPolarHBondContact O-CB 3.46Å; E82-Q158 PolarHBondContact O-N 2.88Å; I84-Q158 HydrophobicContact CG1-CB 4.21Å; L132-Q158 HydrophobicContact CD1-CB 3.9Å; L132-Q158 HydrophobicContact CD1-CG 4.05Å; Q158-Y318 HydrophobicContact CG-CD1 4.32Å; Q158-T319 VanDerWaalsContact NE2-N 3.15Å; Q158-S320 PolarHBondContact NE2-OG 3.15Å; Q158-S320 PolarHBondContact OE1-OG 2.88Å
159	R	81.3	Confident	80.6	Confident	21 Å²	21	49.1 Å²	49.1	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	156	173.9	-48.9	-177.8	80.3	159.1	6.5	112.1	S76 E77 V78 Y318 T319 Y670	S76-R159 PolarHBondContact OG-NE 3.2Å; E77-R159 CarbonylContact O-C 3.57Å; E77-R159 VanDerWaalsContact O-C 3.31Å; E77-R159 WeakPolarHBondContact O-CA 3.47Å; V78-R159 HydrophobicContact CG2-CG 4.39Å; R159-Y318 CarbonylContact O-C 3.38Å; R159-Y318 VanDerWaalsContact O-CA 3.31Å; R159-Y318 WeakPolarHBondContact O-CA 3.36Å; R159-T319 WeakPolarHBondContact CB-OG1 3.39Å; R159-T319 PolarHBondContact O-N 3.44Å; R159-Y670 PolarHBondContact NH2-OH 3.34Å
160	K	80.4	Confident	79	Confident	46 Å²	46	48.7 Å²	48.7	20%	0.2	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	99.4	-173.5	175.3	-168.2	172.5	-159.6	0	107.1	S76 E77 V79 F162 V316 S317 Y318	S76-K160 CarbonylContact C-O 3.17Å; E77-K160 WeakPolarHBondContact CA-O 3.25Å; E77-K160 HydrophobicContact CB-CB 4.19Å; E77-K160 HydrophobicContact CB-CD 4.47Å; E77-K160 PolarHBondContact N-O 2.85Å; E77-K160 WeakPolarHBondContact O-CA 3.44Å; E77-K160 VanDerWaalsContact O-CB 3.3Å; E77-K160 WeakPolarHBondContact O-CB 3.42Å; E77-K160 PolarHBondContact O-N 3.01Å; E77-K160 IonicContact OE2-NZ 2.67Å; E77-K160 PolarHBondContact OE2-NZ 2.89Å; V79-K160 HydrophobicContact CG2-CB 3.8Å; K160-F162 HydrophobicContact CD-CE2 3.74Å; K160-F162 HydrophobicContact CD-CZ 4.01Å; K160-F162 VanDerWaalsContact CE-CE2 3.46Å; K160-F162 HydrophobicContact CG-CE2 3.93Å; K160-V316 HydrophobicContact CD-CG1 4.06Å; K160-V316 VanDerWaalsContact CE-CG1 3.41Å; K160-V316 HydrophobicContact CG-CG1 3.53Å; K160-S317 CarbonylContact C-O 3.55Å; K160-S317 VanDerWaalsContact C-O 3.27Å; K160-S317 WeakPolarHBondContact CA-O 3.5Å; K160-Y318 HydrophobicContact CB-CD1 3.82Å; K160-Y318 HydrophobicContact CB-CE1 3.69Å; K160-Y318 HydrophobicContact CB-CG 4.42Å; K160-Y318 HydrophobicContact CD-CE1 4.08Å; K160-Y318 HydrophobicContact CG-CD1 4.19Å; K160-Y318 HydrophobicContact CG-CD2 4.44Å; K160-Y318 HydrophobicContact CG-CE1 3.79Å; K160-Y318 HydrophobicContact CG-CE2 4.06Å
161	V	76.4	Confident	77.1	Confident	13 Å²	13	48.9 Å²	48.9	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.2	-176.3	174	0	0	0	0	110.8	F74 F311 V316 S317	F74-V161 HydrophobicContact CD2-CG1 3.99Å; F74-V161 HydrophobicContact CE1-CG1 4.02Å; F74-V161 HydrophobicContact CE2-CG1 3.19Å; F74-V161 HydrophobicContact CZ-CB 4.19Å; F74-V161 HydrophobicContact CZ-CG1 3.23Å; F74-V161 HydrophobicContact CZ-CG2 3.92Å; V161-F311 HydrophobicContact CG1-CE1 4.46Å; V161-V316 CarbonylContact O-C 3.58Å; V161-V316 WeakPolarHBondContact O-CA 3.11Å; V161-S317 PolarHBondContact N-O 3.43Å; V161-S317 PolarHBondContact O-N 3.3Å
162	F	74.5	Confident	74.9	Confident	53 Å²	53	47.5 Å²	47.5	23%	0.232	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.4	168.1	-66.6	-104.8	0	0	0	109.7	F74 S75 E77 K160 V316	F74-F162 WeakPolarHBondContact CA-O 3.41Å; S75-F162 PolarHBondContact N-O 3.01Å; S75-F162 PolarHBondContact O-N 3.42Å; S75-F162 VanDerWaalsContact O-O 3.06Å; E77-F162 HydrophobicContact CB-CD2 4.49Å; E77-F162 HydrophobicContact CB-CE2 3.91Å; E77-F162 VanDerWaalsContact CD-CZ 3.46Å; E77-F162 HydrophobicContact CG-CD2 4.02Å; E77-F162 HydrophobicContact CG-CE2 3.5Å; E77-F162 VanDerWaalsContact CG-CE2 3.5Å; E77-F162 HydrophobicContact CG-CZ 4.38Å; E77-F162 WeakPolarHBondContact OE1-CE2 3.46Å; E77-F162 WeakPolarHBondContact OE1-CZ 3.35Å; E77-F162 WeakPolarHBondContact OE2-CE2 3.3Å; E77-F162 VanDerWaalsContact OE2-CZ 3.29Å; E77-F162 WeakPolarHBondContact OE2-CZ 3.46Å; K160-F162 HydrophobicContact CD-CE2 3.74Å; K160-F162 HydrophobicContact CD-CZ 4.01Å; K160-F162 VanDerWaalsContact CE-CE2 3.46Å; K160-F162 HydrophobicContact CG-CE2 3.93Å; F162-V316 HydrophobicContact CD1-CG2 3.65Å; F162-V316 HydrophobicContact CE1-CG2 3.63Å; F162-V316 HydrophobicContact CG-CG2 4.44Å; F162-V316 HydrophobicContact CZ-CG2 4.39Å
163	R	73.6	Confident	72.4	Confident	8 Å²	8	53.2 Å²	53.2	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.9	172.1	-178.4	-175.4	-179.7	-164.7	1.9	107.5	L72 E73 L165 D251 H282 F311 Q315 S340	L72-R163 HydrophobicContact CD2-CG 3.86Å; E73-R163 CarbonylContact O-C 3.33Å; R163-L165 HydrophobicContact CG-CG 4.44Å; R163-D251 IonicContact NH1-OD1 3.67Å; R163-D251 IonicContact NH1-OD2 3.75Å; R163-H282 PolarHBondContact NH2-CE1 3.49Å; R163-H282 PolarHBondContact NH2-NE2 3.41Å; R163-F311 HydrophobicContact CB-CD1 4.23Å; R163-F311 HydrophobicContact CB-CE1 3.81Å; R163-Q315 HydrophobicContact CB-CB 4.43Å; R163-Q315 PolarHBondContact N-O 3.3Å; R163-Q315 WeakPolarHBondContact O-CB 3.18Å; R163-Q315 VanDerWaalsContact O-CD 3.26Å; R163-Q315 PolarHBondContact O-OE1 3.39Å; R163-Q315 VanDerWaalsContact O-OE1 3.08Å; R163-S340 PolarHBondContact NH2-O 2.83Å; R163-S340 VanDerWaalsContact NH2-O 3.15Å
164	S	71.1	Confident	69.8	Low	41 Å²	41	50.9 Å²	50.9	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.7	171	-165.4	0	0	0	0	109.5	K71 E73 K166	K71-S164 VanDerWaalsContact O-O 3.13Å; E73-S164 PolarHBondContact N-O 3.44Å; E73-S164 PolarHBondContact O-N 3.26Å; S164-K166 PolarHBondContact O-N 3.02Å
165	L	72.3	Confident	67.2	Low	12 Å²	12	52.7 Å²	52.7	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	95.3	171.9	-69.7	169.2	0	0	0	108.9	L70 L72 R163 Y167 H282	L70-L165 HydrophobicContact CD2-CD2 4.21Å; L72-L165 HydrophobicContact CD2-CD2 3.4Å; L72-L165 VanDerWaalsContact CD2-CD2 3.4Å; L72-L165 HydrophobicContact CD2-CG 4.32Å; L72-L165 HydrophobicContact CG-CD2 4.12Å; R163-L165 HydrophobicContact CG-CG 4.44Å; L165-Y167 HydrophobicContact CB-CE2 4.48Å; L165-H282 HydrophobicContact CD1-CB 3.8Å
166	K	72.8	Confident	64.6	Low	90 Å²	90	57.9 Å²	57.9	39%	0.391	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.3	172	-67	178.7	-174.8	165.9	0	109.2	K71 E73 S164 I168	K71-K166 HydrophobicContact CB-CB 4.31Å; K71-K166 PolarHBondContact N-O 3.4Å; K71-K166 PolarHBondContact O-N 3.43Å; E73-K166 IonicContact OE1-NZ 3.69Å; E73-K166 PolarHBondContact OE1-NZ 3.47Å; E73-K166 WeakPolarHBondContact OE2-CE 3.49Å; E73-K166 IonicContact OE2-NZ 2.95Å; E73-K166 PolarHBondContact OE2-NZ 3.08Å; S164-K166 PolarHBondContact O-N 3.02Å; K166-I168 PolarHBondContact O-N 3.46Å
167	Y	74.5	Confident	61.8	Low	63 Å²	63	62.5 Å²	62.5	25%	0.247	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.7	172.6	-63.4	-88	0	0	0	109.1	L68 L70 L165 L443	L68-Y167 HydrophobicContact CB-CD1 4.34Å; L70-Y167 HydrophobicContact CD2-CD1 3.44Å; L70-Y167 VanDerWaalsContact CD2-CD1 3.44Å; L70-Y167 HydrophobicContact CD2-CE1 3.17Å; L70-Y167 HydrophobicContact CD2-CE2 4.5Å; L70-Y167 HydrophobicContact CD2-CG 4.26Å; L70-Y167 HydrophobicContact CG-CD1 4.45Å; L70-Y167 HydrophobicContact CG-CE1 4.3Å; L165-Y167 HydrophobicContact CB-CE2 4.48Å; Y167-L443 HydrophobicContact CD1-CD2 3.81Å; Y167-L443 HydrophobicContact CE1-CD1 4.24Å; Y167-L443 HydrophobicContact CE1-CD2 3.62Å
168	I	75.5	Confident	59.2	Low	80 Å²	80	66 Å²	66	41%	0.41	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.2	179.1	-52.7	176.6	0	0	0	108	L68 T69 K71 K166 S170	L68-I168 CarbonylContact C-O 3.37Å; L68-I168 WeakPolarHBondContact CA-O 3.42Å; T69-I168 PolarHBondContact N-O 3.45Å; T69-I168 PolarHBondContact O-N 3.22Å; K71-I168 HydrophobicContact CB-CD1 3.82Å; K71-I168 HydrophobicContact CB-CG1 4.5Å; K71-I168 HydrophobicContact CD-CD1 4.06Å; K166-I168 PolarHBondContact O-N 3.46Å; I168-S170 PolarHBondContact O-N 2.65Å
169	P	68.6	Low	56.6	Low	97 Å²	97	69.5 Å²	69.5	63%	0.63	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	131.4	168.4	-21.8	32.4	0	0	0	110.3
170	S	52.5	Low	54.2	Low	22 Å²	22	74.9 Å²	74.9	15%	0.154	47%	0.465	C	S	.	.			trans	-56.4	131.5	-178.8	-173.2	0	0	0	0	111	Q67 I168 E172	Q67-S170 PolarHBondContact O-N 3Å; I168-S170 PolarHBondContact O-N 2.65Å; S170-E172 PolarHBondContact O-N 3.25Å; S170-E172 PolarHBondContact OG-N 2.96Å
171	P	49.2	Very low	51.7	Low	108 Å²	108	81.6 Å²	81.6	70%	0.701	50%	0.496	S	S	*	.	S	Bend	trans	-73.8	-8.4	171.4	29.2	-32.4	0	0	0	112.8
172	E	46	Very low	49.3	Very low	84 Å²	84	88 Å²	88	39%	0.393	53%	0.53	S	S	.	.	S	Bend	trans	-75.6	138	174.8	-65.1	179.3	175.5	0	0	110.3	S170 A174	S170-E172 PolarHBondContact O-N 3.25Å; S170-E172 PolarHBondContact OG-N 2.96Å; E172-A174 PolarHBondContact O-N 3.18Å
173	P	36.4	Very low	47	Very low	128 Å²	128	91 Å²	91	83%	0.831	56%	0.558	S	S	*	*			trans	-61.8	114	-179.5	23.8	-30.9	0	0	0	109.7	A175	P173-A175 PolarHBondContact O-N 3.46Å; P173-A175 VanDerWaalsContact O-N 3.13Å
174	A	34	Very low	44.9	Very low	69 Å²	69	99.3 Å²	99.3	57%	0.57	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-54.1	120.1	175.3	0	0	0	0	0	109.6	E172 P176	E172-A174 PolarHBondContact O-N 3.18Å; A174-P176 VanDerWaalsContact O-CD 3.32Å; A174-P176 WeakPolarHBondContact O-CD 3.22Å
175	A	32.5	Very low	42.6	Very low	83 Å²	83	107.1 Å²	107.1	69%	0.686	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-60.9	120	168.4	0	0	0	0	0	108.4	P173 C177	P173-A175 PolarHBondContact O-N 3.46Å; P173-A175 VanDerWaalsContact O-N 3.13Å; A175-C177 PolarHBondContact O-N 3.5Å
176	P	31.6	Very low	40.3	Very low	123 Å²	123	117.7 Å²	117.7	80%	0.799	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-72.4	130.6	-171.9	24.7	-30.4	0	0	0	111.6	A174 N178	A174-P176 VanDerWaalsContact O-CD 3.32Å; A174-P176 WeakPolarHBondContact O-CD 3.22Å; P176-N178 PolarHBondContact O-N 3.31Å; P176-N178 VanDerWaalsContact O-N 3.09Å
177	C	26.4	Very low	38.1	Very low	113 Å²	113	122.6 Å²	122.6	76%	0.764	69%	0.689	S	S	*	*			trans	-77.8	88.2	173.2	-66.7	0	0	0	0	110.3	A175	A175-C177 PolarHBondContact O-N 3.5Å
178	N	30.7	Very low	35.7	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	70%	0.704	S	S	*	*			trans	30.3	123.6	165.5	-83.8	-21.1	0	0	0	121.3	P176	P176-N178 PolarHBondContact O-N 3.31Å; P176-N178 VanDerWaalsContact O-N 3.09Å
179	G	27.5	Very low	33.4	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	72%	0.723	S	S	*	*			trans	-173.2	117.9	151.2	0	0	0	0	0	110.5	H181	G179-H181 PolarHBondContact O-N 3.15Å
180	T	31.6	Very low	31.4	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	72%	0.724	S	S	*	*			trans	-57.5	121.2	-179.1	45.1	0	0	0	0	112.9
181	H	27.2	Very low	30.1	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.866	76%	0.758	S	S	*	*			trans	-167.5	138.9	132.1	-120.1	-89.5	0	0	0	111.6	G179	G179-H181 PolarHBondContact O-N 3.15Å
182	D	26.1	Very low	29.2	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	76%	0.759	S	S	*	*			trans	-57.5	127.7	178.7	-134.4	-15.6	0	0	0	112.2
183	S	26.5	Very low	28.4	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	78%	0.78	S	S	*	*			trans	-175.9	120.3	135.6	45	0	0	0	0	111.6
184	Q	29.4	Very low	28.2	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	78%	0.78	S	S	*	*			trans	-59	135.1	168.2	-69.8	167.3	-35.5	0	0	111.4
185	K	23.4	Very low	28	Very low	206 Å²	206	148.7 Å²	148.7	90%	0.896	79%	0.792	S	S	*	*			trans	-160.5	115.2	134.4	-110.9	170.2	-172.6	179.5	0	111.1
186	W	23.9	Very low	27.8	Very low	233 Å²	233	156.4 Å²	156.4	88%	0.883	80%	0.804	S	S	*	*			trans	-60.8	134.9	165.2	-80.6	42.8	0	0	0	110.4
187	Q	26.4	Very low	27.7	Very low	193 Å²	193	162 Å²	162	90%	0.902	81%	0.809	S	S	*	*			trans	-148.2	115.5	150.5	-106	168.6	12.3	0	0	110.1
188	S	25	Very low	27.9	Very low	79 Å²	79	163.4 Å²	163.4	55%	0.552	81%	0.814	S	S	*	*			trans	-121.8	101.4	-173.5	52.5	0	0	0	0	109.2
189	W	25.7	Very low	27.8	Very low	218 Å²	218	162.8 Å²	162.8	83%	0.826	82%	0.82	S	S	*	*			trans	-154.1	142.2	167.1	-76.9	79.8	0	0	0	108.9
190	Q	28.2	Very low	27.9	Very low	137 Å²	137	166.8 Å²	166.8	64%	0.64	82%	0.823	S	S	*	*			cis	177.6	132.1	-20.9	-115.8	176.9	30.9	0	0	103.4
191	S	24.8	Very low	27.8	Very low	126 Å²	126	166.1 Å²	166.1	88%	0.881	82%	0.824	S	S	*	*			trans	-109.6	122.8	154.6	65.8	0	0	0	0	107.7
192	S	29.5	Very low	27.8	Very low	103 Å²	103	164.9 Å²	164.9	72%	0.72	82%	0.823	S	S	*	*			trans	-93.2	125.8	-167.7	33.8	0	0	0	0	111.8
193	R	29.9	Very low	27.8	Very low	218 Å²	218	161.1 Å²	161.1	82%	0.823	82%	0.819	S	S	*	*			trans	-138.3	130	144.3	-76.6	-168.2	177.8	-173.1	-0.4	109
194	P	31.3	Very low	27.8	Very low	128 Å²	128	161.8 Å²	161.8	83%	0.831	82%	0.823	S	S	*	*			trans	-92.1	118.5	173.9	32.5	-26	0	0	0	110.3
195	F	29.7	Very low	27.7	Very low	190 Å²	190	156.9 Å²	156.9	83%	0.833	82%	0.822	S	S	*	*			trans	-100.9	111.2	162.3	-87.1	-79.4	0	0	0	110
196	R	28.8	Very low	27.9	Very low	246 Å²	246	156 Å²	156	93%	0.928	82%	0.818	S	S	*	*			trans	-109.9	103.4	149.3	-94.4	-170.5	175.9	-169.8	1.4	107.6
197	R	28.9	Very low	28.2	Very low	240 Å²	240	154.9 Å²	154.9	91%	0.906	81%	0.814	S	S	*	*			trans	-139.8	111.9	145.2	-79.2	-165	178.6	179.1	0.8	109.3
198	T	31	Very low	28.2	Very low	142 Å²	142	152 Å²	152	87%	0.871	80%	0.801	S	S	*	*			trans	-74.7	123.3	153.4	40.6	0	0	0	0	108.4
199	S	28.1	Very low	28.3	Very low	118 Å²	118	153.4 Å²	153.4	83%	0.825	82%	0.817	S	S	*	*				-167.9	144.2	130	36.6	0	0	0	0	110.7
200	L	31.3	Very low	28.6	Very low	159 Å²	159	148.8 Å²	148.8	83%	0.832	81%	0.813	S	S	*	*			trans	-71.3	133.1	-174	-65.7	142.6	0	0	0	111.4	L202	L200-L202 HydrophobicContact CD2-CD1 4.33Å
201	S	27.7	Very low	28.5	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	82%	0.818	S	S	*	*			trans	-144.6	109.9	134.4	72.4	0	0	0	0	109.9
202	L	27.9	Very low	28.9	Very low	162 Å²	162	151.1 Å²	151.1	85%	0.848	82%	0.819	S	S	*	*			trans	-57.9	143.1	165.2	-86	77	0	0	0	110.5	L200	L200-L202 HydrophobicContact CD2-CD1 4.33Å
203	G	25.8	Very low	29	Very low	67 Å²	67	155.3 Å²	155.3	69%	0.691	83%	0.827	S	S	*	*			trans	165.6	85.1	161.7	0	0	0	0	0	116
204	S	27.4	Very low	29.2	Very low	130 Å²	130	150.2 Å²	150.2	91%	0.909	82%	0.824	S	S	*	*			trans	57.1	115.3	149.3	60.5	0	0	0	0	121.5
205	G	27.5	Very low	29.5	Very low	80 Å²	80	149.3 Å²	149.3	83%	0.825	82%	0.821	S	S	*	*			trans	163	39.4	158	0	0	0	0	0	116.2
206	F	26.6	Very low	29.8	Very low	187 Å²	187	152 Å²	152	82%	0.82	83%	0.826	S	S	*	*			trans	-95.7	154.6	171.6	-104.6	-94.5	0	0	0	111
207	W	29.8	Very low	30	Very low	210 Å²	210	151.9 Å²	151.9	80%	0.795	83%	0.825	S	S	*	*			trans	94.6	123.6	176.8	-48.4	118.8	0	0	0	114.7
208	H	27.4	Very low	30.3	Very low	133 Å²	133	148.8 Å²	148.8	62%	0.616	83%	0.826	S	S	*	*			cis	-161.2	132.2	0.7	-104.6	-67.3	0	0	0	107.8
209	A	25.9	Very low	30.6	Very low	108 Å²	108	149.7 Å²	149.7	89%	0.893	83%	0.825	S	S	*	*			trans	-122.8	76.6	155.3	0	0	0	0	0	108.1	G211	A209-G211 PolarHBondContact O-N 3.36Å
210	T	32.6	Very low	30.8	Very low	121 Å²	121	153.6 Å²	153.6	74%	0.742	82%	0.822	S	S	*	*			trans	-86.7	93.7	168.9	45.9	0	0	0	0	109
211	G	27.4	Very low	31.1	Very low	73 Å²	73	150.6 Å²	150.6	75%	0.753	82%	0.819	S	S	*	*			trans	-128	78	163.9	0	0	0	0	0	109.1	A209 H213	A209-G211 PolarHBondContact O-N 3.36Å; G211-H213 PolarHBondContact O-N 2.8Å
212	R	31.6	Very low	31.8	Very low	239 Å²	239	151 Å²	151	90%	0.902	81%	0.811	S	S	*	*			trans	-68.9	117.8	171.2	-84.2	176.5	170.2	167.4	-3.1	109.3
213	H	32.8	Very low	32.9	Very low	191 Å²	191	147.4 Å²	147.4	88%	0.884	80%	0.797	S	S	*	*			trans	-130.2	92.1	144.6	-85.9	-58.7	0	0	0	109.1	G211	G211-H213 PolarHBondContact O-N 2.8Å
214	S	34.3	Very low	34.5	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	80%	0.795	S	S	*	*			trans	-87.9	150.3	154.6	-178.7	0	0	0	0	108.1
215	S	36.3	Very low	37	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	76%	0.759	S	S	*	*			trans	74.3	85.7	-179.7	85.8	0	0	0	0	117.6
216	R	35.9	Very low	39.9	Very low	245 Å²	245	144.5 Å²	144.5	93%	0.925	72%	0.723	S	S	*	*			trans	-129.5	125.8	135.3	-73	-171.2	-174.8	-175.2	2.1	108.7	L218	R216-L218 PolarHBondContact O-N 3.47Å
217	R	32.7	Very low	42.9	Very low	244 Å²	244	135.7 Å²	135.7	92%	0.921	69%	0.685	S	S	*	*			trans	-45	130.3	169	-88.1	171.4	165.1	167.9	-5.5	109.6	L219	R217-L219 PolarHBondContact O-N 2.85Å
218	L	36.3	Very low	45.6	Very low	175 Å²	175	129.8 Å²	129.8	92%	0.916	67%	0.666	S	S	*	*			trans	-52.1	102.8	166.7	-91.2	140.1	0	0	0	109.7	R216 R220	R216-L218 PolarHBondContact O-N 3.47Å; L218-R220 PolarHBondContact O-N 3.33Å
219	L	37.8	Very low	48.6	Very low	162 Å²	162	126 Å²	126	85%	0.848	65%	0.65	S	S	*	*			trans	-73.3	112.8	154.8	-74.9	168	0	0	0	106.1	R217 A221	R217-L219 PolarHBondContact O-N 2.85Å; L219-A221 PolarHBondContact O-N 2.64Å
220	R	32.6	Very low	51.7	Low	200 Å²	200	121.4 Å²	121.4	76%	0.755	61%	0.61	S	S	*	*			trans	-38.5	119.6	166	-98.4	172.1	158.6	168.7	-7.5	109.7	L218 I222	L218-R220 PolarHBondContact O-N 3.33Å; R220-I222 PolarHBondContact O-N 3.17Å
221	A	36.6	Very low	54.6	Low	95 Å²	95	119.5 Å²	119.5	79%	0.785	59%	0.593	S	S	*	*			trans	-67	102.5	173.7	0	0	0	0	0	109	L219	L219-A221 PolarHBondContact O-N 2.64Å
222	I	43.4	Very low	57.7	Low	130 Å²	130	116 Å²	116	67%	0.667	56%	0.557	S	S	*	*			trans	-56.6	133.5	157	-60.2	170	0	0	0	105.5	R220 R224	R220-I222 PolarHBondContact O-N 3.17Å; I222-R224 WeakPolarHBondContact O-CG 3.26Å; I222-R224 PolarHBondContact O-N 3.27Å
223	P	49.4	Very low	60.6	Low	85 Å²	85	107.2 Å²	107.2	55%	0.552	53%	0.528	S	S	*	.			trans	-61	101.3	176.5	23	-30.5	0	0	0	108.4
224	R	61.1	Low	63.4	Low	170 Å²	170	99.3 Å²	99.3	64%	0.642	49%	0.493	S	S	*	.			trans	-82.8	135.8	-175.6	-68.3	-174.4	-177.7	-178.4	-1.5	109.3	I222 I229	I222-R224 WeakPolarHBondContact O-CG 3.26Å; I222-R224 PolarHBondContact O-N 3.27Å; R224-I229 HydrophobicContact CB-CD1 3.96Å; R224-I229 HydrophobicContact CB-CG1 3.7Å
225	H	79.6	Confident	66.2	Low	36 Å²	36	94 Å²	94	17%	0.167	46%	0.456	C	S	.	.			trans	-64.8	142.7	172.4	-64.5	-76.2	0	0	0	110	A227 Q228 I229 E295	H225-A227 PolarHBondContact O-N 3.47Å; H225-Q228 HydrophobicContact CB-CG 4.45Å; H225-Q228 WeakPolarHBondContact O-CB 3.4Å; H225-Q228 PolarHBondContact O-N 3.18Å; H225-I229 PolarHBondContact O-N 3.39Å; H225-E295 PolarHBondContact CE1-O 2.96Å; H225-E295 PolarHBondContact NE2-O 3.18Å
226	V	88.3	Confident	69	Low	10 Å²	10	91.2 Å²	91.2	6%	0.061	43%	0.428	C	S	.	.	H	α-helix	trans	-56.8	-36.9	-178.8	173.5	0	0	0	0	111.8	Q228 I229 L230 F299 F396 Y427 V431 V452	V226-Q228 VanDerWaalsContact C-N 3.31Å; V226-Q228 PolarHBondContact O-N 3.48Å; V226-I229 PolarHBondContact O-N 3.27Å; V226-L230 HydrophobicContact CG1-CD1 3.97Å; V226-L230 PolarHBondContact O-N 3.5Å; V226-F299 HydrophobicContact CG1-CE2 4.32Å; V226-F299 HydrophobicContact CG1-CZ 4.07Å; V226-F396 HydrophobicContact CG2-CE1 3.96Å; V226-F396 HydrophobicContact CG2-CZ 3.95Å; V226-Y427 HydrophobicContact CG1-CD2 3.84Å; V226-Y427 HydrophobicContact CG1-CG 4.44Å; V226-V431 HydrophobicContact CG2-CB 4.28Å; V226-V431 HydrophobicContact CG2-CG1 3.77Å; V226-V431 HydrophobicContact CG2-CG2 3.97Å; V226-V452 HydrophobicContact CG1-CG1 3.82Å; V226-V452 HydrophobicContact CG1-CG2 4Å
227	A	88.7	Confident	71.7	Confident	2 Å²	2	85.6 Å²	85.6	2%	0.017	41%	0.413	C	S	.	.	H	α-helix	trans	-58.1	-40.3	174.6	0	0	0	0	0	113	H225 L230 Q231 A232 W236 F299	H225-A227 PolarHBondContact O-N 3.47Å; A227-L230 CarbonylContact O-C 3.27Å; A227-Q231 PolarHBondContact O-N 3.17Å; A227-A232 HydrophobicContact CB-CB 4.16Å; A227-A232 VanDerWaalsContact O-CB 3.22Å; A227-A232 WeakPolarHBondContact O-CB 3.1Å; A227-A232 PolarHBondContact O-N 3.19Å; A227-W236 HydrophobicContact CB-CH2 3.78Å; A227-W236 HydrophobicContact CB-CZ2 4.05Å; A227-F299 HydrophobicContact CB-CD1 4.32Å; A227-F299 HydrophobicContact CB-CD2 4.3Å; A227-F299 HydrophobicContact CB-CE1 4.24Å; A227-F299 HydrophobicContact CB-CE2 4.19Å; A227-F299 HydrophobicContact CB-CG 4.34Å; A227-F299 HydrophobicContact CB-CZ 4.14Å
228	Q	87.7	Confident	74.5	Confident	87 Å²	87	75.7 Å²	75.7	41%	0.407	38%	0.378	S	S	.	.	H	α-helix	trans	-73.8	-36.1	176.5	-67	176.1	-14.4	0	0	112.1	H225 V226 L230 Q231	H225-Q228 HydrophobicContact CB-CG 4.45Å; H225-Q228 WeakPolarHBondContact O-CB 3.4Å; H225-Q228 PolarHBondContact O-N 3.18Å; V226-Q228 VanDerWaalsContact C-N 3.31Å; V226-Q228 PolarHBondContact O-N 3.48Å; Q228-L230 VanDerWaalsContact C-N 3.27Å; Q228-L230 PolarHBondContact O-N 2.83Å; Q228-Q231 PolarHBondContact O-N 2.8Å; Q228-Q231 VanDerWaalsContact O-N 3.07Å
229	I	89.8	Confident	77.2	Confident	54 Å²	54	70.2 Å²	70.2	28%	0.277	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-38.4	177.2	-64.6	169.7	0	0	0	110.5	R224 H225 V226 Q231 F396 Y427	R224-I229 HydrophobicContact CB-CD1 3.96Å; R224-I229 HydrophobicContact CB-CG1 3.7Å; H225-I229 PolarHBondContact O-N 3.39Å; V226-I229 PolarHBondContact O-N 3.27Å; I229-Q231 PolarHBondContact O-N 2.74Å; I229-F396 HydrophobicContact CD1-CD1 3.92Å; I229-F396 HydrophobicContact CD1-CE1 3.64Å; I229-Y427 HydrophobicContact CB-CE2 4.39Å; I229-Y427 HydrophobicContact CG2-CE2 3.58Å; I229-Y427 VanDerWaalsContact CG2-OH 3.29Å; I229-Y427 WeakPolarHBondContact CG2-OH 3.4Å
230	L	91.6	Very high	79.9	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.058	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	12.9	174.8	-68.5	173.5	0	0	0	113.4	V226 A227 Q228 A232 F299 Y427 V452 L499 L501	V226-L230 HydrophobicContact CG1-CD1 3.97Å; V226-L230 PolarHBondContact O-N 3.5Å; A227-L230 CarbonylContact O-C 3.27Å; Q228-L230 VanDerWaalsContact C-N 3.27Å; Q228-L230 PolarHBondContact O-N 2.83Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 2.66Å; L230-F299 HydrophobicContact CB-CE1 4.05Å; L230-F299 HydrophobicContact CB-CZ 4.3Å; L230-F299 HydrophobicContact CD1-CE1 4.14Å; L230-F299 HydrophobicContact CD1-CZ 3.77Å; L230-Y427 HydrophobicContact CD1-CD2 4.2Å; L230-Y427 HydrophobicContact CD1-CE2 4.4Å; L230-Y427 HydrophobicContact CD2-CD2 4.44Å; L230-Y427 HydrophobicContact CD2-CE2 3.88Å; L230-Y427 HydrophobicContact CG-CD2 4.22Å; L230-Y427 HydrophobicContact CG-CE2 3.94Å; L230-V452 HydrophobicContact CD1-CG1 3.63Å; L230-L499 HydrophobicContact CD1-CD2 3.96Å; L230-L499 WeakPolarHBondContact CD2-O 3.44Å; L230-L501 WeakPolarHBondContact O-CB 3.27Å; L230-L501 WeakPolarHBondContact O-CD2 3.02Å
231	Q	93.1	Very high	82.8	Confident	80 Å²	80	56.4 Å²	56.4	37%	0.374	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	30.5	172	-51.2	-178.5	-85.1	0	0	115.3	A227 Q228 I229 D233 V234 I502	A227-Q231 PolarHBondContact O-N 3.17Å; Q228-Q231 PolarHBondContact O-N 2.8Å; Q228-Q231 VanDerWaalsContact O-N 3.07Å; I229-Q231 PolarHBondContact O-N 2.74Å; Q231-D233 VanDerWaalsContact C-OD1 3.27Å; Q231-D233 VanDerWaalsContact CA-OD1 3.31Å; Q231-D233 WeakPolarHBondContact CA-OD1 3.28Å; Q231-D233 PolarHBondContact O-N 3.36Å; Q231-V234 HydrophobicContact CB-CG2 4.26Å; Q231-V234 WeakPolarHBondContact O-CB 3.27Å; Q231-V234 PolarHBondContact O-N 3.06Å; Q231-I502 HydrophobicContact CB-CD1 4.11Å; Q231-I502 HydrophobicContact CB-CG1 3.87Å
232	A	92.2	Very high	85.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-26.1	175.7	0	0	0	0	0	112.8	A227 L230 V234 L235 W236 F299 L459 L501	A227-A232 HydrophobicContact CB-CB 4.16Å; A227-A232 VanDerWaalsContact O-CB 3.22Å; A227-A232 WeakPolarHBondContact O-CB 3.1Å; A227-A232 PolarHBondContact O-N 3.19Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 2.66Å; A232-V234 PolarHBondContact O-N 3.28Å; A232-L235 PolarHBondContact O-N 2.94Å; A232-L235 VanDerWaalsContact O-N 3.08Å; A232-W236 HydrophobicContact CB-CH2 4.18Å; A232-W236 HydrophobicContact CB-CZ2 3.64Å; A232-W236 PolarHBondContact O-N 2.51Å; A232-F299 HydrophobicContact CB-CD1 3.9Å; A232-F299 HydrophobicContact CB-CE1 4.24Å; A232-L459 HydrophobicContact CB-CD2 3.84Å; A232-L501 HydrophobicContact CB-CD2 3.84Å
233	D	91.7	Very high	87.9	Confident	54 Å²	54	49.5 Å²	49.5	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-32.2	176.4	62.4	-47.7	0	0	0	113.3	Q231 L235 W236 Q237	Q231-D233 VanDerWaalsContact C-OD1 3.27Å; Q231-D233 VanDerWaalsContact CA-OD1 3.31Å; Q231-D233 WeakPolarHBondContact CA-OD1 3.28Å; Q231-D233 PolarHBondContact O-N 3.36Å; D233-L235 VanDerWaalsContact C-N 3.35Å; D233-W236 VanDerWaalsContact CA-CE3 3.46Å; D233-W236 HydrophobicContact CB-CE3 3.96Å; D233-W236 HydrophobicContact CB-CZ3 4.2Å; D233-W236 PolarHBondContact O-N 2.91Å; D233-Q237 VanDerWaalsContact O-CG 3.26Å; D233-Q237 WeakPolarHBondContact O-CG 3.13Å; D233-Q237 PolarHBondContact O-N 3.48Å
234	V	92.7	Very high	89.9	Confident	25 Å²	25	47.6 Å²	47.6	15%	0.152	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-41.4	175.1	178.3	0	0	0	0	110.7	Q231 A232 Q237 M238 I502	Q231-V234 HydrophobicContact CB-CG2 4.26Å; Q231-V234 WeakPolarHBondContact O-CB 3.27Å; Q231-V234 PolarHBondContact O-N 3.06Å; A232-V234 PolarHBondContact O-N 3.28Å; V234-Q237 PolarHBondContact O-N 3.16Å; V234-M238 HydrophobicContact CG1-CE 3.77Å; V234-M238 WeakPolarHBondContact O-CG 3.45Å; V234-M238 PolarHBondContact O-N 2.81Å; V234-I502 HydrophobicContact CB-CD1 3.89Å; V234-I502 HydrophobicContact CG1-CD1 4.04Å; V234-I502 HydrophobicContact CG2-CD1 4.49Å
235	L	93.3	Very high	91.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.1	-35.6	177.3	-63.1	-178.8	0	0	0	111.9	A232 D233 Q237 M238 G239 H240 L459 L460 L501 I502 Y505	A232-L235 PolarHBondContact O-N 2.94Å; A232-L235 VanDerWaalsContact O-N 3.08Å; D233-L235 VanDerWaalsContact C-N 3.35Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 3.1Å; L235-M238 HydrophobicContact CD2-SD 4.3Å; L235-M238 WeakPolarHBondContact O-CB 2.98Å; L235-M238 PolarHBondContact O-N 2.01Å; L235-M238 VanDerWaalsContact O-N 3.1Å; L235-G239 PolarHBondContact O-N 3.01Å; L235-H240 CarbonylContact C-O 3.56Å; L235-H240 PolarHBondContact O-N 2.88Å; L235-L459 HydrophobicContact CB-CD1 4.42Å; L235-L459 HydrophobicContact CB-CD2 4.16Å; L235-L459 HydrophobicContact CB-CG 4.37Å; L235-L459 HydrophobicContact CD1-CD2 3.82Å; L235-L459 HydrophobicContact CD1-CG 3.91Å; L235-L460 HydrophobicContact CD1-CD2 4.41Å; L235-L501 HydrophobicContact CD1-CD1 4.14Å; L235-L501 HydrophobicContact CD1-CD2 4.05Å; L235-L501 HydrophobicContact CD1-CG 3.92Å; L235-I502 HydrophobicContact CD2-CD1 4.47Å; L235-I502 HydrophobicContact CG-CD1 4.3Å; L235-Y505 HydrophobicContact CD2-CD1 3.92Å; L235-Y505 HydrophobicContact CD2-CD2 4.1Å; L235-Y505 HydrophobicContact CD2-CE1 4.3Å; L235-Y505 HydrophobicContact CD2-CE2 4.48Å; L235-Y505 HydrophobicContact CD2-CG 3.8Å
236	W	94	Very high	92.3	Very high	50 Å²	50	40.8 Å²	40.8	19%	0.189	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-39.6	172.8	-57	-24.2	0	0	0	111.9	A227 A232 D233 M238 G239 H240 T241 Q297 G298 F299	A227-W236 HydrophobicContact CB-CH2 3.78Å; A227-W236 HydrophobicContact CB-CZ2 4.05Å; A232-W236 HydrophobicContact CB-CH2 4.18Å; A232-W236 HydrophobicContact CB-CZ2 3.64Å; A232-W236 PolarHBondContact O-N 2.51Å; D233-W236 VanDerWaalsContact CA-CE3 3.46Å; D233-W236 HydrophobicContact CB-CE3 3.96Å; D233-W236 HydrophobicContact CB-CZ3 4.2Å; D233-W236 PolarHBondContact O-N 2.91Å; W236-M238 PolarHBondContact O-N 2.95Å; W236-G239 WeakPolarHBondContact O-CA 3.17Å; W236-G239 PolarHBondContact O-N 3.25Å; W236-H240 WeakPolarHBondContact CA-O 3.49Å; W236-H240 VanDerWaalsContact CD1-O 3.29Å; W236-H240 PolarHBondContact N-O 2.64Å; W236-T241 HydrophobicContact CB-CG2 4.35Å; W236-T241 HydrophobicContact CG-CG2 4.36Å; W236-Q297 HydrophobicContact CH2-CB 4.42Å; W236-Q297 HydrophobicContact CH2-CG 3.47Å; W236-Q297 VanDerWaalsContact CH2-CG 3.47Å; W236-Q297 HydrophobicContact CZ2-CG 4.15Å; W236-Q297 HydrophobicContact CZ3-CG 3.86Å; W236-G298 WeakPolarHBondContact CZ2-O 3.32Å; W236-F299 PolarHBondContact NE1-O 2.86Å
237	Q	93.6	Very high	92.7	Very high	127 Å²	127	40.3 Å²	40.3	59%	0.593	23%	0.23	S	C	*	.	H	α-helix	trans	-64.6	-27.9	174.8	-73.4	170.3	26.6	0	0	112.7	D233 V234 L235 G239	D233-Q237 VanDerWaalsContact O-CG 3.26Å; D233-Q237 WeakPolarHBondContact O-CG 3.13Å; D233-Q237 PolarHBondContact O-N 3.48Å; V234-Q237 PolarHBondContact O-N 3.16Å; L235-Q237 VanDerWaalsContact C-N 3.31Å; L235-Q237 PolarHBondContact O-N 3.1Å; Q237-G239 PolarHBondContact O-N 3.38Å
238	M	91.7	Very high	93.1	Very high	37 Å²	37	40.2 Å²	40.2	18%	0.182	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.7	171.2	-61.6	-175.6	-160.5	0	0	113.4	V234 L235 W236 Y505 V993	V234-M238 HydrophobicContact CG1-CE 3.77Å; V234-M238 WeakPolarHBondContact O-CG 3.45Å; V234-M238 PolarHBondContact O-N 2.81Å; L235-M238 HydrophobicContact CD2-SD 4.3Å; L235-M238 WeakPolarHBondContact O-CB 2.98Å; L235-M238 PolarHBondContact O-N 2.01Å; L235-M238 VanDerWaalsContact O-N 3.1Å; W236-M238 PolarHBondContact O-N 2.95Å; M238-Y505 HydrophobicContact CE-CE1 4.47Å; M238-Y505 HydrophobicContact SD-CE1 4.17Å; M238-V993 HydrophobicContact CE-CG1 3.38Å; M238-V993 HydrophobicContact SD-CG1 4.38Å
239	G	92.4	Very high	93.5	Very high	60 Å²	60	36.1 Å²	36.1	62%	0.619	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	7.3	-179.6	0	0	0	0	0	114.6	L235 W236 Q237	L235-G239 PolarHBondContact O-N 3.01Å; W236-G239 WeakPolarHBondContact O-CA 3.17Å; W236-G239 PolarHBondContact O-N 3.25Å; Q237-G239 PolarHBondContact O-N 3.38Å
240	H	93.9	Very high	93.7	Very high	45 Å²	45	33.5 Å²	33.5	21%	0.208	20%	0.197	C	C	.	.			trans	-94.2	116.5	175.7	-59.2	-65	0	0	0	109.9	L235 W236 L459 S462 T463	L235-H240 CarbonylContact C-O 3.56Å; L235-H240 PolarHBondContact O-N 2.88Å; W236-H240 WeakPolarHBondContact CA-O 3.49Å; W236-H240 VanDerWaalsContact CD1-O 3.29Å; W236-H240 PolarHBondContact N-O 2.64Å; H240-L459 HydrophobicContact CB-CD1 4.4Å; H240-L459 VanDerWaalsContact O-CD1 3.24Å; H240-L459 WeakPolarHBondContact O-CD1 3.27Å; H240-S462 PolarHBondContact ND1-O 2.63Å; H240-T463 HydrophobicContact CB-CG2 3.9Å
241	T	93.6	Very high	93.6	Very high	27 Å²	27	33 Å²	33	17%	0.166	19%	0.194	C	C	.	.	S	Bend	trans	-131.1	15.7	-178.3	54.6	0	0	0	0	113.2	W236 A300 P301 D302	W236-T241 HydrophobicContact CB-CG2 4.35Å; W236-T241 HydrophobicContact CG-CG2 4.36Å; T241-A300 CarbonylContact O-C 3.46Å; T241-A300 VanDerWaalsContact O-CA 3.31Å; T241-A300 WeakPolarHBondContact O-CA 3.33Å; T241-P301 WeakPolarHBondContact O-CD 3.46Å; T241-D302 WeakPolarHBondContact CB-OD2 3.17Å; T241-D302 PolarHBondContact O-N 3.33Å; T241-D302 VanDerWaalsContact O-N 3.08Å; T241-D302 WeakPolarHBondContact OG1-CB 3.32Å; T241-D302 PolarHBondContact OG1-OD2 2.87Å
242	G	93.4	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	91.6	5	-175.5	0	0	0	0	0	114.9	G244 V245 S303 S462	G242-G244 PolarHBondContact O-N 3.27Å; G242-V245 WeakPolarHBondContact O-CB 3.36Å; G242-V245 WeakPolarHBondContact O-CG2 3.18Å; G242-V245 PolarHBondContact O-N 3.35Å; G242-S303 VanDerWaalsContact O-CA 3.25Å; G242-S303 WeakPolarHBondContact O-CA 3.45Å; G242-S303 WeakPolarHBondContact O-CB 3.47Å; G242-S462 WeakPolarHBondContact CA-OG 3.44Å; G242-S462 PolarHBondContact N-OG 2.86Å
243	S	93.6	Very high	93.3	Very high	80 Å²	80	29.3 Å²	29.3	56%	0.559	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	137.3	-178.2	-168.3	0	0	0	0	112.4	V245	S243-V245 VanDerWaalsContact C-N 3.27Å; S243-V245 PolarHBondContact O-N 3.03Å
244	G	91.4	Very high	93.3	Very high	45 Å²	45	26.9 Å²	26.9	46%	0.464	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.7	180	0	0	0	0	0	114.8	G242 R467	G242-G244 PolarHBondContact O-N 3.27Å; G244-R467 PolarHBondContact O-NH2 3.03Å
245	V	95.4	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.			trans	-108.7	129.2	171.8	-168.3	0	0	0	0	109.4	G242 S243 V247 E304 D335 V336 T458 A461 R467	G242-V245 WeakPolarHBondContact O-CB 3.36Å; G242-V245 WeakPolarHBondContact O-CG2 3.18Å; G242-V245 PolarHBondContact O-N 3.35Å; S243-V245 VanDerWaalsContact C-N 3.27Å; S243-V245 PolarHBondContact O-N 3.03Å; V245-V247 HydrophobicContact CG1-CG2 4.36Å; V245-E304 PolarHBondContact O-N 2.88Å; V245-D335 HydrophobicContact CG1-CB 3.88Å; V245-V336 HydrophobicContact CG1-CG2 4.21Å; V245-T458 HydrophobicContact CB-CG2 3.82Å; V245-T458 HydrophobicContact CG1-CG2 3.77Å; V245-T458 HydrophobicContact CG2-CG2 4.38Å; V245-A461 HydrophobicContact CG1-CB 4.27Å; V245-A461 HydrophobicContact CG2-CB 4.22Å; V245-R467 VanDerWaalsContact CG2-NH2 3.34Å
246	K	96.4	Very high	92.6	Very high	62 Å²	62	32.8 Å²	32.8	27%	0.27	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.6	173.5	-62.3	175.6	-171.4	163.6	0	110.5	E304 K332 I334 D335 V336	K246-E304 HydrophobicContact CG-CB 4.22Å; K246-K332 PolarHBondContact NZ-O 3.08Å; K246-I334 HydrophobicContact CB-CD1 4.08Å; K246-D335 PolarHBondContact N-OD2 3.11Å; K246-D335 PolarHBondContact O-N 2.87Å; K246-D335 VanDerWaalsContact O-N 3.08Å; K246-V336 PolarHBondContact O-N 3.08Å; K246-V336 VanDerWaalsContact O-N 3.11Å
247	V	96.9	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.3	178.6	-169.9	0	0	0	0	109.8	V245 I290 E304 H306 V336 T458	V245-V247 HydrophobicContact CG1-CG2 4.36Å; V247-I290 HydrophobicContact CG1-CD1 4.37Å; V247-I290 HydrophobicContact CG1-CG2 4.11Å; V247-E304 PolarHBondContact N-O 3.26Å; V247-H306 PolarHBondContact O-N 3.13Å; V247-V336 CarbonylContact C-O 3.58Å; V247-V336 VanDerWaalsContact CA-O 3.31Å; V247-V336 WeakPolarHBondContact CA-O 3.31Å; V247-V336 HydrophobicContact CG1-CB 4.31Å; V247-V336 HydrophobicContact CG1-CG1 4.42Å; V247-V336 HydrophobicContact CG2-CB 4.37Å; V247-T458 HydrophobicContact CG2-CG2 3.26Å; V247-T458 WeakPolarHBondContact CG2-OG1 3.45Å
248	A	96.8	Very high	91.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135	171.6	0	0	0	0	0	111.7	F250 H306 I334 V336 L337 N338	A248-F250 HydrophobicContact CB-CD1 4.12Å; A248-F250 HydrophobicContact CB-CE1 3.82Å; A248-H306 CarbonylContact C-O 3.54Å; A248-H306 VanDerWaalsContact CA-O 3.23Å; A248-H306 WeakPolarHBondContact CA-O 3.15Å; A248-H306 HydrophobicContact CB-CB 4.38Å; A248-I334 HydrophobicContact CB-CD1 4.29Å; A248-I334 HydrophobicContact CB-CG1 4.15Å; A248-I334 HydrophobicContact CB-CG2 3.64Å; A248-V336 PolarHBondContact N-O 3.12Å; A248-L337 HydrophobicContact CB-CG 4.35Å; A248-N338 PolarHBondContact O-N 2.89Å
249	V	95.7	Very high	91.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112	173.1	-180	0	0	0	0	108.5	D251 V286 A287 I290 H306 I307 F308	V249-D251 HydrophobicContact CG1-CB 4.02Å; V249-V286 HydrophobicContact CG1-CB 4.37Å; V249-V286 HydrophobicContact CG1-CG1 3.67Å; V249-A287 HydrophobicContact CG2-CB 4.41Å; V249-I290 HydrophobicContact CG2-CD1 3.83Å; V249-H306 PolarHBondContact N-O 3.12Å; V249-I307 HydrophobicContact CB-CD1 3.99Å; V249-I307 HydrophobicContact CG2-CD1 4.16Å; V249-F308 PolarHBondContact O-N 2.88Å
250	F	93.4	Very high	91.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	98.2	177.9	-80.3	47	0	0	0	108.1	A248 F308 V310 F322 A325 F326 A329 L337 N338 L339	A248-F250 HydrophobicContact CB-CD1 4.12Å; A248-F250 HydrophobicContact CB-CE1 3.82Å; F250-F308 WeakPolarHBondContact CA-O 3.33Å; F250-F308 HydrophobicContact CD1-CB 3.92Å; F250-F308 AromaticContact CD1-CD2 4Å; F250-F308 HydrophobicContact CD1-CD2 4Å; F250-F308 HydrophobicContact CD1-CG 4.26Å; F250-F308 HydrophobicContact CE1-CB 4.01Å; F250-F308 AromaticContact CE1-CD2 3.19Å; F250-F308 HydrophobicContact CE1-CD2 3.19Å; F250-F308 AromaticContact CE1-CE2 3.82Å; F250-F308 HydrophobicContact CE1-CE2 3.82Å; F250-F308 AromaticContact CE1-CG 3.87Å; F250-F308 HydrophobicContact CE1-CG 3.87Å; F250-F308 HydrophobicContact CE2-CD2 4.27Å; F250-F308 HydrophobicContact CG-CB 4.35Å; F250-F308 AromaticContact CZ-CD2 3.38Å; F250-F308 HydrophobicContact CZ-CD2 3.38Å; F250-F308 AromaticContact CZ-CE2 3.93Å; F250-F308 HydrophobicContact CZ-CE2 3.93Å; F250-F308 HydrophobicContact CZ-CG 4.36Å; F250-V310 HydrophobicContact CB-CG2 4.16Å; F250-V310 HydrophobicContact CD2-CG1 4.14Å; F250-F322 HydrophobicContact CD2-CD1 4.25Å; F250-A325 HydrophobicContact CD2-CB 4.32Å; F250-A325 HydrophobicContact CE2-CB 3.5Å; F250-A325 VanDerWaalsContact CE2-CB 3.5Å; F250-A325 HydrophobicContact CZ-CB 3.88Å; F250-F326 HydrophobicContact CD2-CD1 4.35Å; F250-F326 AromaticContact CD2-CE1 3.95Å; F250-F326 HydrophobicContact CD2-CE1 3.95Å; F250-F326 AromaticContact CE2-CD1 3.46Å; F250-F326 HydrophobicContact CE2-CD1 3.46Å; F250-F326 VanDerWaalsContact CE2-CD1 3.46Å; F250-F326 AromaticContact CE2-CE1 3.51Å; F250-F326 HydrophobicContact CE2-CE1 3.51Å; F250-F326 HydrophobicContact CE2-CG 4.26Å; F250-F326 HydrophobicContact CE2-CZ 4.36Å; F250-F326 AromaticContact CZ-CD1 3.82Å; F250-F326 HydrophobicContact CZ-CD1 3.82Å; F250-F326 HydrophobicContact CZ-CE1 4.14Å; F250-A329 HydrophobicContact CZ-CB 4.18Å; F250-L337 HydrophobicContact CD1-CD1 3.89Å; F250-L337 HydrophobicContact CD1-CD2 4.19Å; F250-L337 HydrophobicContact CD1-CG 3.89Å; F250-L337 HydrophobicContact CE1-CD1 3.41Å; F250-L337 VanDerWaalsContact CE1-CD1 3.41Å; F250-L337 HydrophobicContact CE1-CG 3.89Å; F250-L337 HydrophobicContact CE2-CD1 4.16Å; F250-L337 HydrophobicContact CG-CD1 4.45Å; F250-L337 HydrophobicContact CG-CD2 4.32Å; F250-L337 HydrophobicContact CG-CG 4.5Å; F250-L337 HydrophobicContact CZ-CD1 3.57Å; F250-L337 HydrophobicContact CZ-CG 4.46Å; F250-N338 PolarHBondContact N-O 2.78Å; F250-L339 HydrophobicContact CB-CD1 3.73Å
251	D	90.6	Very high	91.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-154	-173.6	-146	-69.4	0	0	0	111.6	R163 V249 G253 H282 G283 F308 R309 V310	R163-D251 IonicContact NH1-OD1 3.67Å; R163-D251 IonicContact NH1-OD2 3.75Å; V249-D251 HydrophobicContact CG1-CB 4.02Å; D251-G253 PolarHBondContact O-N 2.92Å; D251-H282 IonicContact OD1-CE1 2.98Å; D251-H282 IonicContact OD1-CG 3.72Å; D251-H282 IonicContact OD1-ND1 3.91Å; D251-H282 PolarHBondContact OD1-ND1 3.19Å; D251-H282 IonicContact OD2-CE1 3.35Å; D251-H282 PolarHBondContact OD2-CE1 2.87Å; D251-H282 IonicContact OD2-ND1 2.78Å; D251-H282 PolarHBondContact OD2-ND1 3.05Å; D251-G283 PolarHBondContact OD1-N 3.41Å; D251-F308 PolarHBondContact N-O 2.95Å; D251-F308 VanDerWaalsContact N-O 3.16Å; D251-R309 WeakPolarHBondContact O-CA 3.39Å; D251-V310 PolarHBondContact O-N 3.36Å
252	T	88.8	Confident	91.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.191	C	C	.	.	S	Bend	trans	-75.9	4.9	178.2	64.5	0	0	0	0	113.6	D278 L280 H282 G283 R309 F311	T252-D278 WeakPolarHBondContact CB-OD1 3.38Å; T252-D278 PolarHBondContact OG1-OD1 3.1Å; T252-L280 HydrophobicContact CG2-CB 4.22Å; T252-L280 HydrophobicContact CG2-CD1 3.52Å; T252-L280 HydrophobicContact CG2-CG 4.47Å; T252-H282 HydrophobicContact CG2-CB 4.5Å; T252-G283 PolarHBondContact OG1-N 3.1Å; T252-R309 PolarHBondContact O-NH1 2.94Å; T252-F311 HydrophobicContact CG2-CB 4.18Å
253	G	89.9	Confident	91	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.			trans	100.4	-163.9	-179.6	0	0	0	0	0	113.5	D251 G283 T284	D251-G253 PolarHBondContact O-N 2.92Å; G253-G283 CarbonylContact O-C 3.56Å; G253-G283 VanDerWaalsContact O-CA 3.24Å; G253-G283 WeakPolarHBondContact O-CA 3.46Å; G253-T284 PolarHBondContact O-N 2.77Å
254	L	91.4	Very high	91	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.188	C	C	.	.			trans	-141.1	138.4	-178.1	175.1	64.9	0	0	0	109.6	E256 F261 V264 R267 T284 A287 I307	L254-E256 PolarHBondContact O-N 3Å; L254-F261 HydrophobicContact CD1-CD2 3.89Å; L254-F261 HydrophobicContact CD1-CE1 4.27Å; L254-F261 HydrophobicContact CD1-CE2 3.47Å; L254-F261 VanDerWaalsContact CD1-CE2 3.47Å; L254-F261 HydrophobicContact CD1-CG 4.45Å; L254-F261 HydrophobicContact CD1-CZ 3.66Å; L254-F261 HydrophobicContact CD2-CD2 4.39Å; L254-F261 HydrophobicContact CD2-CG 4.32Å; L254-V264 HydrophobicContact CD2-CG1 4.23Å; L254-V264 HydrophobicContact CD2-CG2 3.66Å; L254-R267 PolarHBondContact O-NE 3.27Å; L254-R267 PolarHBondContact O-NH2 2.81Å; L254-T284 HydrophobicContact CD1-CG2 3.91Å; L254-A287 HydrophobicContact CD1-CB 4.14Å; L254-I307 HydrophobicContact CB-CB 4.2Å; L254-I307 HydrophobicContact CB-CD1 4.28Å; L254-I307 HydrophobicContact CB-CG1 3.8Å; L254-I307 HydrophobicContact CB-CG2 3.66Å; L254-I307 HydrophobicContact CD2-CD1 4.1Å; L254-I307 HydrophobicContact CD2-CG1 3.71Å; L254-I307 HydrophobicContact CG-CG1 4.38Å
255	S	90.2	Very high	91.1	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.112	19%	0.19	C	C	.	.			trans	-64.9	128.7	174.3	-175.4	0	0	0	0	112.8	K257 D277 T284 L436	S255-K257 PolarHBondContact O-N 3Å; S255-D277 VanDerWaalsContact CA-OD1 3.23Å; S255-D277 WeakPolarHBondContact CA-OD1 3.44Å; S255-T284 PolarHBondContact N-OG1 2.85Å; S255-T284 VanDerWaalsContact N-OG1 3.13Å; S255-L436 WeakPolarHBondContact CB-O 3.32Å; S255-L436 PolarHBondContact OG-O 3.21Å
256	E	81.6	Confident	91	Very high	133 Å²	133	41.4 Å²	41.4	62%	0.621	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-42.6	-172.3	-172.9	162.9	145.8	0	0	114.7	L254 R267 D277	L254-E256 PolarHBondContact O-N 3Å; E256-R267 IonicContact OE2-NH1 2.64Å; E256-R267 PolarHBondContact OE2-NH1 3.47Å; E256-D277 PolarHBondContact N-OD1 3.2Å
257	K	82.8	Confident	90.8	Very high	184 Å²	184	40.7 Å²	40.7	80%	0.8	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	18.9	-169.5	-63.2	-177.2	-178.6	177.9	0	112.8	S255	S255-K257 PolarHBondContact O-N 3Å
258	H	88.4	Confident	90.6	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.042	20%	0.196	C	C	.	.			trans	-74.9	121.4	-171.2	-166	-63.3	0	0	0	111.3	H260 F261 G435 K437	H258-H260 AromaticContact CE1-CD2 3.93Å; H258-H260 AromaticContact CE1-CE1 3.7Å; H258-H260 AromaticContact CE1-CG 3.37Å; H258-H260 AromaticContact CE1-ND1 3.27Å; H258-H260 PolarHBondContact CE1-ND1 3.38Å; H258-H260 VanDerWaalsContact CE1-ND1 3.27Å; H258-H260 WeakPolarHBondContact ND1-CB 3.38Å; H258-H260 AromaticContact ND1-CG 3.66Å; H258-H260 PolarHBondContact ND1-N 2.7Å; H258-H260 AromaticContact ND1-ND1 3.97Å; H258-H260 PolarHBondContact O-N 3.49Å; H258-F261 HydrophobicContact CB-CD2 3.81Å; H258-F261 HydrophobicContact CB-CE2 3.95Å; H258-F261 AromaticContact CG-CD2 3.94Å; H258-F261 AromaticContact CG-CE2 3.68Å; H258-F261 AromaticContact ND1-CD2 3.77Å; H258-F261 AromaticContact ND1-CE2 3.54Å; H258-F261 PolarHBondContact O-N 2.91Å; H258-G435 PolarHBondContact CD2-O 2.9Å; H258-G435 VanDerWaalsContact CD2-O 3.3Å; H258-G435 PolarHBondContact NE2-O 2.88Å; H258-G435 VanDerWaalsContact NE2-O 3.07Å; H258-K437 PolarHBondContact CD2-O 3.45Å; H258-K437 VanDerWaalsContact CD2-O 3.26Å
259	P	89.1	Confident	90.3	Very high	55 Å²	55	42.5 Å²	42.5	36%	0.357	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.2	-168	27.6	-37	0	0	0	115.1
260	H	90.2	Very high	90.1	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.023	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.7	-178.9	-69.3	176.1	0	0	0	114.3	H258 M293 C296 S434 G439	H258-H260 AromaticContact CE1-CD2 3.93Å; H258-H260 AromaticContact CE1-CE1 3.7Å; H258-H260 AromaticContact CE1-CG 3.37Å; H258-H260 AromaticContact CE1-ND1 3.27Å; H258-H260 PolarHBondContact CE1-ND1 3.38Å; H258-H260 VanDerWaalsContact CE1-ND1 3.27Å; H258-H260 WeakPolarHBondContact ND1-CB 3.38Å; H258-H260 AromaticContact ND1-CG 3.66Å; H258-H260 PolarHBondContact ND1-N 2.7Å; H258-H260 AromaticContact ND1-ND1 3.97Å; H258-H260 PolarHBondContact O-N 3.49Å; H260-M293 PolarHBondContact O-N 3.44Å; H260-C296 PolarHBondContact CE1-SG 2.88Å; H260-S434 PolarHBondContact ND1-OG 3.31Å; H260-G439 PolarHBondContact CE1-O 3.2Å
261	F	91.4	Very high	89.8	Confident	27 Å²	27	43.3 Å²	43.3	12%	0.118	21%	0.207	C	C	.	.			trans	-106.6	132.7	-171.9	-55.8	-79.7	0	0	0	111.4	L254 H258 V264 T284 A287 L305	L254-F261 HydrophobicContact CD1-CD2 3.89Å; L254-F261 HydrophobicContact CD1-CE1 4.27Å; L254-F261 HydrophobicContact CD1-CE2 3.47Å; L254-F261 VanDerWaalsContact CD1-CE2 3.47Å; L254-F261 HydrophobicContact CD1-CG 4.45Å; L254-F261 HydrophobicContact CD1-CZ 3.66Å; L254-F261 HydrophobicContact CD2-CD2 4.39Å; L254-F261 HydrophobicContact CD2-CG 4.32Å; H258-F261 HydrophobicContact CB-CD2 3.81Å; H258-F261 HydrophobicContact CB-CE2 3.95Å; H258-F261 AromaticContact CG-CD2 3.94Å; H258-F261 AromaticContact CG-CE2 3.68Å; H258-F261 AromaticContact ND1-CD2 3.77Å; H258-F261 AromaticContact ND1-CE2 3.54Å; H258-F261 PolarHBondContact O-N 2.91Å; F261-V264 HydrophobicContact CB-CG2 3.82Å; F261-T284 HydrophobicContact CE2-CG2 4.15Å; F261-T284 HydrophobicContact CZ-CG2 4.44Å; F261-A287 HydrophobicContact CE1-CB 3.94Å; F261-A287 HydrophobicContact CZ-CB 4.18Å; F261-L305 HydrophobicContact CD1-CD1 3.69Å; F261-L305 HydrophobicContact CE1-CD1 4.29Å
262	K	86.9	Confident	89.5	Confident	139 Å²	139	49 Å²	49	60%	0.604	24%	0.237	S	C	*	.	S	Bend	trans	-104.4	-44.3	-178.2	-169	177.6	162.1	-163.1	0	113.2	M293 D302	K262-M293 HydrophobicContact CB-CE 3.52Å; K262-M293 HydrophobicContact CB-SD 3.85Å; K262-M293 HydrophobicContact CD-CE 4.09Å; K262-M293 HydrophobicContact CD-SD 3.77Å; K262-M293 HydrophobicContact CG-CE 4.15Å; K262-M293 HydrophobicContact CG-SD 4.39Å; K262-D302 IonicContact NZ-OD1 2.65Å; K262-D302 PolarHBondContact NZ-OD1 2.89Å
263	N	90.6	Very high	89.4	Confident	35 Å²	35	51.1 Å²	51.1	19%	0.187	25%	0.247	C	C	.	.			trans	-122.1	52.8	-162.3	-167.3	29.3	0	0	0	111.4	K265 D302 S303 L305	N263-K265 PolarHBondContact O-N 3.5Å; N263-K265 WeakPolarHBondContact OD1-CE 3.33Å; N263-K265 PolarHBondContact OD1-NZ 3.06Å; N263-D302 PolarHBondContact ND2-O 3.05Å; N263-S303 WeakPolarHBondContact CB-O 3.05Å; N263-S303 PolarHBondContact ND2-O 3.07Å; N263-L305 PolarHBondContact O-N 3.46Å
264	V	93.6	Very high	89.2	Confident	52 Å²	52	61.6 Å²	61.6	32%	0.315	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	105.5	170.7	-174.8	0	0	0	0	107.6	L254 F261 R267 L305 I307	L254-V264 HydrophobicContact CD2-CG1 4.23Å; L254-V264 HydrophobicContact CD2-CG2 3.66Å; F261-V264 HydrophobicContact CB-CG2 3.82Å; V264-R267 HydrophobicContact CG1-CG 3.8Å; V264-L305 HydrophobicContact CG2-CB 4.49Å; V264-L305 HydrophobicContact CG2-CD1 4.26Å; V264-I307 HydrophobicContact CG1-CG1 4.41Å
265	K	94.1	Very high	88.9	Confident	113 Å²	113	63.8 Å²	63.8	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-37.7	179.3	-67.4	-53.5	-166.8	-161.8	0	111.7	N263 E304 L305	N263-K265 PolarHBondContact O-N 3.5Å; N263-K265 WeakPolarHBondContact OD1-CE 3.33Å; N263-K265 PolarHBondContact OD1-NZ 3.06Å; K265-E304 HydrophobicContact CG-CB 3.8Å; K265-E304 HydrophobicContact CG-CG 4.08Å; K265-L305 PolarHBondContact N-O 3.02Å
266	E	91.8	Very high	88.6	Confident	34 Å²	34	66.5 Å²	66.5	16%	0.159	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.9	-170.4	-175.8	169	-152.5	0	0	111.1	T268 L305 H306 I307 Y328	E266-T268 HydrophobicContact CG-CG2 3.67Å; E266-T268 VanDerWaalsContact OE1-CG2 3.28Å; E266-T268 WeakPolarHBondContact OE1-CG2 3.27Å; E266-L305 PolarHBondContact N-O 3.42Å; E266-H306 IonicContact OE2-CE1 2.92Å; E266-H306 IonicContact OE2-ND1 2.81Å; E266-H306 PolarHBondContact OE2-ND1 3.01Å; E266-I307 PolarHBondContact O-N 3.44Å; E266-Y328 VanDerWaalsContact OE1-CE1 3.25Å; E266-Y328 WeakPolarHBondContact OE1-CE1 3.44Å; E266-Y328 PolarHBondContact OE1-OH 2.81Å
267	R	93.3	Very high	88.9	Confident	46 Å²	46	63.3 Å²	63.3	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.7	165.6	-70	167.4	69	-145.8	9.9	106.4	L254 E256 V264 L276 D277 I307	L254-R267 PolarHBondContact O-NE 3.27Å; L254-R267 PolarHBondContact O-NH2 2.81Å; E256-R267 IonicContact OE2-NH1 2.64Å; E256-R267 PolarHBondContact OE2-NH1 3.47Å; V264-R267 HydrophobicContact CG1-CG 3.8Å; R267-L276 VanDerWaalsContact NH2-C 3.27Å; R267-L276 PolarHBondContact NH2-O 3Å; R267-D277 IonicContact NH2-OD1 3.56Å; R267-D277 PolarHBondContact NH2-OD1 3.02Å; R267-I307 WeakPolarHBondContact CA-O 3.44Å; R267-I307 HydrophobicContact CG-CB 4.1Å; R267-I307 HydrophobicContact CG-CG1 4.39Å
268	T	92.2	Very high	89	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145	177.9	50.2	0	0	0	0	109.8	P122 E266 W270 I307 F308 R309	P122-T268 HydrophobicContact CG-CG2 4Å; E266-T268 HydrophobicContact CG-CG2 3.67Å; E266-T268 VanDerWaalsContact OE1-CG2 3.28Å; E266-T268 WeakPolarHBondContact OE1-CG2 3.27Å; T268-W270 PolarHBondContact OG1-NE1 2.64Å; T268-I307 PolarHBondContact N-O 3.38Å; T268-F308 WeakPolarHBondContact OG1-CD1 3.41Å; T268-R309 PolarHBondContact O-N 3.18Å
269	N	91.2	Very high	88.8	Confident	26 Å²	26	56.3 Å²	56.3	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.2	173.4	-179.6	35.9	0	0	0	110.2	T271 E273 T275 L276 R309	N269-T271 VanDerWaalsContact CG-OG1 3.28Å; N269-T271 PolarHBondContact ND2-O 3.44Å; N269-T271 PolarHBondContact ND2-OG1 3.25Å; N269-T271 VanDerWaalsContact ND2-OG1 3.1Å; N269-T271 WeakPolarHBondContact OD1-CB 3.49Å; N269-T271 WeakPolarHBondContact OD1-CG2 3.31Å; N269-T271 PolarHBondContact OD1-N 2.95Å; N269-T271 PolarHBondContact OD1-OG1 3Å; N269-E273 PolarHBondContact ND2-O 3.07Å; N269-T275 PolarHBondContact ND2-O 2.76Å; N269-L276 HydrophobicContact CB-CD2 3.75Å; N269-R309 HydrophobicContact CB-CB 4.47Å; N269-R309 WeakPolarHBondContact OD1-CD 3.37Å; N269-R309 PolarHBondContact OD1-O 3.17Å
270	W	90.1	Very high	88.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.015	28%	0.281	C	S	.	.			trans	-102.6	-3.7	178	-59.2	93.9	0	0	0	111.9	N121 P122 A123 T268 F308 R309 V310 W321 D324 A325 Y328	N121-W270 HydrophobicContact CB-CE3 3.77Å; N121-W270 HydrophobicContact CB-CZ3 3.84Å; N121-W270 WeakPolarHBondContact OD1-CZ3 3.47Å; P122-W270 HydrophobicContact CB-CH2 4.19Å; P122-W270 HydrophobicContact CG-CH2 4.44Å; A123-W270 HydrophobicContact CB-CH2 3.92Å; A123-W270 HydrophobicContact CB-CZ3 3.67Å; T268-W270 PolarHBondContact OG1-NE1 2.64Å; W270-F308 HydrophobicContact CZ2-CD2 4.5Å; W270-F308 HydrophobicContact CZ2-CE2 4.46Å; W270-F308 AromaticContact NE1-CD2 3.62Å; W270-F308 AromaticContact NE1-CG 3.53Å; W270-R309 PolarHBondContact N-O 2.99Å; W270-V310 HydrophobicContact CB-CG1 4.2Å; W270-V310 HydrophobicContact CG-CG1 4.22Å; W270-W321 HydrophobicContact CB-CB 4.26Å; W270-W321 VanDerWaalsContact O-CD1 3.28Å; W270-W321 VanDerWaalsContact O-CD2 3.24Å; W270-W321 PolarHBondContact O-NE1 2.9Å; W270-D324 HydrophobicContact CE3-CB 3.76Å; W270-D324 HydrophobicContact CZ3-CB 3.67Å; W270-A325 HydrophobicContact CD2-CB 3.77Å; W270-A325 HydrophobicContact CE3-CB 4.35Å; W270-A325 HydrophobicContact CG-CB 3.91Å; W270-A325 HydrophobicContact CZ2-CB 4.35Å; W270-Y328 AromaticContact CH2-CD1 3.97Å; W270-Y328 HydrophobicContact CH2-CD1 3.97Å; W270-Y328 HydrophobicContact CH2-CD2 4.12Å; W270-Y328 AromaticContact CH2-CG 3.58Å; W270-Y328 HydrophobicContact CH2-CG 3.58Å; W270-Y328 AromaticContact CZ2-CD1 3.57Å; W270-Y328 HydrophobicContact CZ2-CD1 3.57Å; W270-Y328 HydrophobicContact CZ2-CE1 4.31Å; W270-Y328 AromaticContact CZ2-CG 3.68Å; W270-Y328 HydrophobicContact CZ2-CG 3.68Å
271	T	87.5	Confident	88.4	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.086	28%	0.283	C	S	.	.	S	Bend	trans	-89.8	169.6	178.6	75.7	0	0	0	0	111.8	N269 E273 R309 T312 W321	N269-T271 VanDerWaalsContact CG-OG1 3.28Å; N269-T271 PolarHBondContact ND2-O 3.44Å; N269-T271 PolarHBondContact ND2-OG1 3.25Å; N269-T271 VanDerWaalsContact ND2-OG1 3.1Å; N269-T271 WeakPolarHBondContact OD1-CB 3.49Å; N269-T271 WeakPolarHBondContact OD1-CG2 3.31Å; N269-T271 PolarHBondContact OD1-N 2.95Å; N269-T271 PolarHBondContact OD1-OG1 3Å; T271-E273 VanDerWaalsContact C-N 3.3Å; T271-E273 PolarHBondContact O-N 2.99Å; T271-E273 PolarHBondContact OG1-N 3.34Å; T271-R309 HydrophobicContact CG2-CG 4.38Å; T271-T312 HydrophobicContact CG2-CG2 4.05Å; T271-W321 HydrophobicContact CG2-CE3 3.81Å; T271-W321 HydrophobicContact CG2-CH2 4.26Å; T271-W321 HydrophobicContact CG2-CZ3 3.54Å
272	N	85.6	Confident	88.3	Confident	120 Å²	120	54.3 Å²	54.3	64%	0.642	28%	0.277	S	S	*	.	S	Bend	trans	-77.2	-8.3	175.3	62.4	-8.6	0	0	0	114.8	W321	N272-W321 HydrophobicContact CB-CZ2 4.2Å
273	E	86.1	Confident	88.4	Confident	46 Å²	46	47.7 Å²	47.7	22%	0.215	25%	0.248	C	C	.	.	S	Bend	trans	-76.7	144.2	178.7	-68.7	-179.1	162.1	0	0	111.2	N269 T271 T275 R309 T312 N313	N269-E273 PolarHBondContact ND2-O 3.07Å; T271-E273 VanDerWaalsContact C-N 3.3Å; T271-E273 PolarHBondContact O-N 2.99Å; T271-E273 PolarHBondContact OG1-N 3.34Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 HydrophobicContact CB-CG2 4.21Å; E273-T275 PolarHBondContact O-N 3.49Å; E273-R309 IonicContact OE2-CZ 3.64Å; E273-R309 IonicContact OE2-NH2 2.77Å; E273-R309 PolarHBondContact OE2-NH2 3.43Å; E273-T312 HydrophobicContact CG-CG2 4.08Å; E273-T312 WeakPolarHBondContact OE1-CB 3.46Å; E273-N313 PolarHBondContact OE1-N 2.79Å; E273-N313 PolarHBondContact OE2-N 3.35Å; E273-N313 VanDerWaalsContact OE2-N 3.14Å
274	K	85.6	Confident	88.6	Confident	222 Å²	222	46 Å²	46	97%	0.965	24%	0.239	S	C	*	.	S	Bend	trans	-90	53.7	-179.3	-63.1	-176.1	-179.2	-177.6	0	112.1
275	T	85.4	Confident	88.6	Confident	47 Å²	47	43.7 Å²	43.7	29%	0.288	23%	0.225	S	C	.	.			trans	-144.2	145.6	179.6	-175.5	0	0	0	0	112.6	N269 E273 D277	N269-T275 PolarHBondContact ND2-O 2.76Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 HydrophobicContact CB-CG2 4.21Å; E273-T275 PolarHBondContact O-N 3.49Å; T275-D277 PolarHBondContact OG1-N 2.99Å; T275-D277 VanDerWaalsContact OG1-N 3.1Å
276	L	84.3	Confident	88.5	Confident	73 Å²	73	38.3 Å²	38.3	38%	0.382	20%	0.201	S	C	.	.			trans	-103.2	-9.3	171.3	-61.1	171.3	0	0	0	112.1	R267 N269	R267-L276 VanDerWaalsContact NH2-C 3.27Å; R267-L276 PolarHBondContact NH2-O 3Å; N269-L276 HydrophobicContact CB-CD2 3.75Å
277	D	86.6	Confident	88.7	Confident	67 Å²	67	36.7 Å²	36.7	36%	0.358	19%	0.194	S	C	.	.	S	Bend	trans	-80.6	149.7	-174.9	-145.6	32.9	0	0	0	111.5	S255 E256 R267 T275 G279	S255-D277 VanDerWaalsContact CA-OD1 3.23Å; S255-D277 WeakPolarHBondContact CA-OD1 3.44Å; E256-D277 PolarHBondContact N-OD1 3.2Å; R267-D277 IonicContact NH2-OD1 3.56Å; R267-D277 PolarHBondContact NH2-OD1 3.02Å; T275-D277 PolarHBondContact OG1-N 2.99Å; T275-D277 VanDerWaalsContact OG1-N 3.1Å; D277-G279 PolarHBondContact O-N 2.97Å
278	D	85.6	Confident	88.7	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.185	C	C	.	.			trans	-82.5	109.3	178.3	-173.9	2	0	0	0	110	T252 L280 G281 G283 T284 L436	T252-D278 WeakPolarHBondContact CB-OD1 3.38Å; T252-D278 PolarHBondContact OG1-OD1 3.1Å; D278-L280 VanDerWaalsContact C-N 3.32Å; D278-L280 PolarHBondContact OD1-N 2.87Å; D278-G281 PolarHBondContact OD1-N 3.43Å; D278-G281 WeakPolarHBondContact OD2-CA 3.43Å; D278-G281 PolarHBondContact OD2-N 3.28Å; D278-G283 PolarHBondContact OD2-N 3.28Å; D278-T284 WeakPolarHBondContact CB-OG1 3.09Å; D278-T284 WeakPolarHBondContact OD2-CB 3.31Å; D278-T284 PolarHBondContact OD2-N 2.88Å; D278-T284 PolarHBondContact OD2-OG1 2.87Å; D278-L436 HydrophobicContact CB-CD1 4.16Å; D278-L436 WeakPolarHBondContact O-CD1 3.08Å
279	G	83.2	Confident	88.9	Confident	43 Å²	43	34.3 Å²	34.3	44%	0.443	18%	0.184	S	C	.	.	S	Bend	trans	-78.5	-14.1	176.9	0	0	0	0	0	114.5	D277 N313	D277-G279 PolarHBondContact O-N 2.97Å; G279-N313 WeakPolarHBondContact CA-OD1 3.29Å; G279-N313 PolarHBondContact N-OD1 2.79Å
280	L	83.1	Confident	89.1	Confident	40 Å²	40	33.1 Å²	33.1	21%	0.209	18%	0.178	C	C	.	.	S	Bend	trans	-114.7	-29.3	-169.3	-68.5	165.2	0	0	0	113.2	T252 D278 H282 Q315	T252-L280 HydrophobicContact CG2-CB 4.22Å; T252-L280 HydrophobicContact CG2-CD1 3.52Å; T252-L280 HydrophobicContact CG2-CG 4.47Å; D278-L280 VanDerWaalsContact C-N 3.32Å; D278-L280 PolarHBondContact OD1-N 2.87Å; L280-H282 VanDerWaalsContact C-N 3.34Å; L280-Q315 HydrophobicContact CD1-CG 3.37Å; L280-Q315 HydrophobicContact CD2-CG 4.37Å
281	G	87.6	Confident	89.3	Confident	5 Å²	5	33 Å²	33	5%	0.052	18%	0.178	C	C	.	.	S	Bend	trans	87.7	-5.3	179.7	0	0	0	0	0	114.6	D278 F285	D278-G281 PolarHBondContact OD1-N 3.43Å; D278-G281 WeakPolarHBondContact OD2-CA 3.43Å; D278-G281 PolarHBondContact OD2-N 3.28Å; G281-F285 WeakPolarHBondContact O-CB 3.31Å; G281-F285 PolarHBondContact O-N 2.92Å
282	H	89.3	Confident	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-50.2	-179.4	-176.9	-84.2	0	0	0	110.8	R163 L165 D251 T252 L280 T284 F285 V286 S447	R163-H282 PolarHBondContact NH2-CE1 3.49Å; R163-H282 PolarHBondContact NH2-NE2 3.41Å; L165-H282 HydrophobicContact CD1-CB 3.8Å; D251-H282 IonicContact OD1-CE1 2.98Å; D251-H282 IonicContact OD1-CG 3.72Å; D251-H282 IonicContact OD1-ND1 3.91Å; D251-H282 PolarHBondContact OD1-ND1 3.19Å; D251-H282 IonicContact OD2-CE1 3.35Å; D251-H282 PolarHBondContact OD2-CE1 2.87Å; D251-H282 IonicContact OD2-ND1 2.78Å; D251-H282 PolarHBondContact OD2-ND1 3.05Å; T252-H282 HydrophobicContact CG2-CB 4.5Å; L280-H282 VanDerWaalsContact C-N 3.34Å; H282-T284 VanDerWaalsContact C-N 3.32Å; H282-T284 PolarHBondContact O-N 2.79Å; H282-F285 WeakPolarHBondContact O-CB 3.5Å; H282-F285 PolarHBondContact O-N 3.06Å; H282-F285 VanDerWaalsContact O-N 3.15Å; H282-V286 VanDerWaalsContact CE1-CG2 3.46Å; H282-V286 WeakPolarHBondContact CE1-CG2 3.42Å; H282-V286 VanDerWaalsContact O-CG2 3.32Å; H282-V286 WeakPolarHBondContact O-CG2 3.19Å; H282-V286 PolarHBondContact O-N 2.99Å; H282-S447 PolarHBondContact NE2-OG 2.88Å
283	G	90.3	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-38.8	176.3	0	0	0	0	0	113.2	D251 T252 G253 D278 F285 V286 A287	D251-G283 PolarHBondContact OD1-N 3.41Å; T252-G283 PolarHBondContact OG1-N 3.1Å; G253-G283 CarbonylContact O-C 3.56Å; G253-G283 VanDerWaalsContact O-CA 3.24Å; G253-G283 WeakPolarHBondContact O-CA 3.46Å; D278-G283 PolarHBondContact OD2-N 3.28Å; G283-F285 PolarHBondContact O-N 2.9Å; G283-V286 PolarHBondContact O-N 3.24Å; G283-A287 WeakPolarHBondContact O-CB 3.42Å; G283-A287 PolarHBondContact O-N 3.42Å
284	T	93.4	Very high	89.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-40.5	174.6	-56.8	0	0	0	0	112.1	G253 L254 S255 F261 D278 H282 G288 G435	G253-T284 PolarHBondContact O-N 2.77Å; L254-T284 HydrophobicContact CD1-CG2 3.91Å; S255-T284 PolarHBondContact N-OG1 2.85Å; S255-T284 VanDerWaalsContact N-OG1 3.13Å; F261-T284 HydrophobicContact CE2-CG2 4.15Å; F261-T284 HydrophobicContact CZ-CG2 4.44Å; D278-T284 WeakPolarHBondContact CB-OG1 3.09Å; D278-T284 WeakPolarHBondContact OD2-CB 3.31Å; D278-T284 PolarHBondContact OD2-N 2.88Å; D278-T284 PolarHBondContact OD2-OG1 2.87Å; H282-T284 VanDerWaalsContact C-N 3.32Å; H282-T284 PolarHBondContact O-N 2.79Å; T284-G288 PolarHBondContact O-N 3.09Å; T284-G435 WeakPolarHBondContact CG2-O 3.5Å
285	F	93.4	Very high	89	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-47.3	175	176.1	-84.3	0	0	0	111.6	G281 H282 G283 G288 V289 V431 G433 S434 R441 L443 V448	G281-F285 WeakPolarHBondContact O-CB 3.31Å; G281-F285 PolarHBondContact O-N 2.92Å; H282-F285 WeakPolarHBondContact O-CB 3.5Å; H282-F285 PolarHBondContact O-N 3.06Å; H282-F285 VanDerWaalsContact O-N 3.15Å; G283-F285 PolarHBondContact O-N 2.9Å; F285-G288 WeakPolarHBondContact O-CA 3.41Å; F285-G288 PolarHBondContact O-N 2.86Å; F285-G288 VanDerWaalsContact O-N 3.14Å; F285-V289 HydrophobicContact CD1-CG2 4.34Å; F285-V289 HydrophobicContact CE1-CG2 3.87Å; F285-V289 HydrophobicContact CZ-CG2 4.13Å; F285-V289 PolarHBondContact O-N 2.87Å; F285-V431 HydrophobicContact CZ-CG1 4.49Å; F285-V431 WeakPolarHBondContact CZ-O 3.19Å; F285-G433 VanDerWaalsContact CE2-N 3.33Å; F285-S434 WeakPolarHBondContact CA-O 3.25Å; F285-R441 WeakPolarHBondContact CE2-O 3.28Å; F285-L443 HydrophobicContact CB-CD1 4.16Å; F285-L443 HydrophobicContact CD1-CD1 3.82Å; F285-L443 HydrophobicContact CD2-CD1 3.65Å; F285-L443 HydrophobicContact CD2-CG 4.02Å; F285-L443 HydrophobicContact CE1-CB 4.18Å; F285-L443 HydrophobicContact CE1-CD1 4.1Å; F285-L443 HydrophobicContact CE2-CB 3.95Å; F285-L443 HydrophobicContact CE2-CD1 3.9Å; F285-L443 HydrophobicContact CE2-CG 3.83Å; F285-L443 HydrophobicContact CG-CD1 3.6Å; F285-L443 HydrophobicContact CG-CG 4.43Å; F285-L443 HydrophobicContact CZ-CB 3.75Å; F285-L443 HydrophobicContact CZ-CD1 4.14Å; F285-L443 HydrophobicContact CZ-CG 4.12Å; F285-V448 HydrophobicContact CE1-CB 4.12Å; F285-V448 HydrophobicContact CE1-CG1 3.58Å; F285-V448 HydrophobicContact CE1-CG2 3.74Å; F285-V448 HydrophobicContact CZ-CG1 3.74Å; F285-V448 HydrophobicContact CZ-CG2 4.26Å
286	V	94	Very high	89	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-50.6	178.7	169	0	0	0	0	111	V249 H282 G283 G288 V289 I290 N338 P451	V249-V286 HydrophobicContact CG1-CB 4.37Å; V249-V286 HydrophobicContact CG1-CG1 3.67Å; H282-V286 VanDerWaalsContact CE1-CG2 3.46Å; H282-V286 WeakPolarHBondContact CE1-CG2 3.42Å; H282-V286 VanDerWaalsContact O-CG2 3.32Å; H282-V286 WeakPolarHBondContact O-CG2 3.19Å; H282-V286 PolarHBondContact O-N 2.99Å; G283-V286 PolarHBondContact O-N 3.24Å; V286-G288 PolarHBondContact O-N 2.81Å; V286-V289 PolarHBondContact O-N 2.98Å; V286-I290 HydrophobicContact CG1-CD1 4.47Å; V286-I290 PolarHBondContact O-N 3.11Å; V286-N338 WeakPolarHBondContact CG1-ND2 3.23Å; V286-P451 HydrophobicContact CG1-CB 3.9Å; V286-P451 HydrophobicContact CG1-CG 4.21Å; V286-P451 HydrophobicContact CG2-CG 4.37Å
287	A	94.8	Very high	89.2	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-35.5	175.7	0	0	0	0	0	111.7	V249 L254 F261 G283 I290 A291 I307	V249-A287 HydrophobicContact CG2-CB 4.41Å; L254-A287 HydrophobicContact CD1-CB 4.14Å; F261-A287 HydrophobicContact CE1-CB 3.94Å; F261-A287 HydrophobicContact CZ-CB 4.18Å; G283-A287 WeakPolarHBondContact O-CB 3.42Å; G283-A287 PolarHBondContact O-N 3.42Å; A287-I290 PolarHBondContact O-N 3.16Å; A287-A291 PolarHBondContact O-N 3.35Å; A287-I307 HydrophobicContact CB-CD1 4.1Å
288	G	93.9	Very high	89.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-57.5	174.7	0	0	0	0	0	111.9	T284 F285 V286 I290 A291 S292	T284-G288 PolarHBondContact O-N 3.09Å; F285-G288 WeakPolarHBondContact O-CA 3.41Å; F285-G288 PolarHBondContact O-N 2.86Å; F285-G288 VanDerWaalsContact O-N 3.14Å; V286-G288 PolarHBondContact O-N 2.81Å; G288-I290 PolarHBondContact O-N 3.34Å; G288-A291 PolarHBondContact O-N 2.98Å; G288-A291 VanDerWaalsContact O-N 3.1Å; G288-S292 VanDerWaalsContact CA-OG 3.27Å; G288-S292 WeakPolarHBondContact CA-OG 3.48Å; G288-S292 WeakPolarHBondContact O-CB 3.34Å; G288-S292 PolarHBondContact O-N 3.33Å; G288-S292 PolarHBondContact O-OG 3.32Å
289	V	94.9	Very high	90	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.055	12%	0.12	C	C	.	.	H	α-helix	trans	-51.4	-35.5	179.3	174.7	0	0	0	0	112	F285 V286 G298 F299 V431 P451 V452	F285-V289 HydrophobicContact CD1-CG2 4.34Å; F285-V289 HydrophobicContact CE1-CG2 3.87Å; F285-V289 HydrophobicContact CZ-CG2 4.13Å; F285-V289 PolarHBondContact O-N 2.87Å; V286-V289 PolarHBondContact O-N 2.98Å; V289-G298 WeakPolarHBondContact O-CA 3.34Å; V289-F299 WeakPolarHBondContact O-CD2 3.27Å; V289-F299 PolarHBondContact O-N 3.1Å; V289-V431 HydrophobicContact CG2-CG1 4.34Å; V289-P451 HydrophobicContact CB-CB 4.08Å; V289-P451 HydrophobicContact CB-CG 4.27Å; V289-P451 HydrophobicContact CG1-CB 4.06Å; V289-P451 HydrophobicContact CG1-CG 4.24Å; V289-V452 HydrophobicContact CG1-CB 4.33Å; V289-V452 HydrophobicContact CG1-CG2 3.6Å
290	I	95.9	Very high	90.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.5	-54.3	177	-64.7	166.9	0	0	0	112.2	V247 V249 V286 A287 G288 F299 A300 L305 N338 P451 A454	V247-I290 HydrophobicContact CG1-CD1 4.37Å; V247-I290 HydrophobicContact CG1-CG2 4.11Å; V249-I290 HydrophobicContact CG2-CD1 3.83Å; V286-I290 HydrophobicContact CG1-CD1 4.47Å; V286-I290 PolarHBondContact O-N 3.11Å; A287-I290 PolarHBondContact O-N 3.16Å; G288-I290 PolarHBondContact O-N 3.34Å; I290-F299 PolarHBondContact O-N 3.02Å; I290-A300 PolarHBondContact O-N 3.14Å; I290-L305 HydrophobicContact CG2-CD2 4.45Å; I290-N338 HydrophobicContact CD1-CB 4.01Å; I290-P451 HydrophobicContact CD1-CB 4.07Å; I290-P451 HydrophobicContact CG1-CB 3.87Å; I290-P451 WeakPolarHBondContact CG1-O 3.13Å; I290-A454 HydrophobicContact CD1-CB 4.08Å; I290-A454 HydrophobicContact CG1-CB 4.26Å
291	A	94.9	Very high	91.1	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-141.7	15.2	-162.8	0	0	0	0	0	115.8	A287 G288 A300 L305	A287-A291 PolarHBondContact O-N 3.35Å; G288-A291 PolarHBondContact O-N 2.98Å; G288-A291 VanDerWaalsContact O-N 3.1Å; A291-A300 VanDerWaalsContact CB-O 3.26Å; A291-A300 WeakPolarHBondContact CB-O 3.47Å; A291-L305 HydrophobicContact CB-CD1 3.9Å; A291-L305 HydrophobicContact CB-CD2 3.85Å; A291-L305 HydrophobicContact CB-CG 4Å
292	S	92.9	Very high	91.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	10%	0.101	C	C	.	.			trans	-68.4	151.7	173.4	44.6	0	0	0	0	112.8	G288 C296 Q297 G298 S434	G288-S292 VanDerWaalsContact CA-OG 3.27Å; G288-S292 WeakPolarHBondContact CA-OG 3.48Å; G288-S292 WeakPolarHBondContact O-CB 3.34Å; G288-S292 PolarHBondContact O-N 3.33Å; G288-S292 PolarHBondContact O-OG 3.32Å; S292-C296 VanDerWaalsContact CB-O 3.28Å; S292-C296 WeakPolarHBondContact CB-O 3.45Å; S292-C296 PolarHBondContact OG-O 3.31Å; S292-Q297 PolarHBondContact O-NE2 3.43Å; S292-G298 PolarHBondContact O-N 3.37Å; S292-S434 WeakPolarHBondContact CB-OG 3.46Å
293	M	86.2	Confident	91.8	Very high	40 Å²	40	22.3 Å²	22.3	20%	0.197	10%	0.102	C	C	.	.			trans	-110	169	171.7	-56.6	-176.6	-54	0	0	110.9	H260 K262 P301	H260-M293 PolarHBondContact O-N 3.44Å; K262-M293 HydrophobicContact CB-CE 3.52Å; K262-M293 HydrophobicContact CB-SD 3.85Å; K262-M293 HydrophobicContact CD-CE 4.09Å; K262-M293 HydrophobicContact CD-SD 3.77Å; K262-M293 HydrophobicContact CG-CE 4.15Å; K262-M293 HydrophobicContact CG-SD 4.39Å; M293-P301 HydrophobicContact CG-CB 3.71Å
294	R	78.2	Confident	92.1	Very high	174 Å²	174	24.8 Å²	24.8	66%	0.657	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	74.6	-123.3	172.1	-49	176.7	175.5	-174.3	0.4	113	C296	R294-C296 VanDerWaalsContact C-N 3.29Å; R294-C296 PolarHBondContact O-N 2.94Å
295	E	80.8	Confident	92.2	Very high	131 Å²	131	25 Å²	25	61%	0.612	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-66.9	-26.4	-167.6	-64.4	-176.6	-178.6	0	0	113.4	H225 C440	H225-E295 PolarHBondContact CE1-O 2.96Å; H225-E295 PolarHBondContact NE2-O 3.18Å; E295-C440 VanDerWaalsContact C-SG 3.52Å; E295-C440 PolarHBondContact O-SG 3Å; E295-C440 VanDerWaalsContact O-SG 3.33Å
296	C	85.6	Confident	92.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-123.1	74.1	172	-21.5	0	0	0	0	108.6	H260 S292 R294 G298 C440	H260-C296 PolarHBondContact CE1-SG 2.88Å; S292-C296 VanDerWaalsContact CB-O 3.28Å; S292-C296 WeakPolarHBondContact CB-O 3.45Å; S292-C296 PolarHBondContact OG-O 3.31Å; R294-C296 VanDerWaalsContact C-N 3.29Å; R294-C296 PolarHBondContact O-N 2.94Å; C296-G298 PolarHBondContact O-N 3.24Å; C296-G298 VanDerWaalsContact O-N 3.16Å; C296-C440 HydrophobicContact CB-CB 4.18Å; C296-C440 WeakPolarHBondContact CB-SG 3.12Å; C296-C440 WeakPolarHBondContact SG-CA 3.06Å; C296-C440 WeakPolarHBondContact SG-CB 3.49Å; C296-C440 CovalentContact SG-SG 2.01Å; C296-C440 PolarHBondContact SG-SG 3.46Å
297	Q	88.8	Confident	92.4	Very high	48 Å²	48	25.7 Å²	25.7	22%	0.224	12%	0.117	C	C	.	.			trans	-63.5	119.7	-177.2	-166.4	68.7	36.9	0	0	111.4	W236 S292	W236-Q297 HydrophobicContact CH2-CB 4.42Å; W236-Q297 HydrophobicContact CH2-CG 3.47Å; W236-Q297 VanDerWaalsContact CH2-CG 3.47Å; W236-Q297 HydrophobicContact CZ2-CG 4.15Å; W236-Q297 HydrophobicContact CZ3-CG 3.86Å; S292-Q297 PolarHBondContact O-NE2 3.43Å
298	G	92.6	Very high	92.4	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	12%	0.117	C	C	.	.			trans	-82.6	178.2	170.7	0	0	0	0	0	112	W236 V289 S292 C296	W236-G298 WeakPolarHBondContact CZ2-O 3.32Å; V289-G298 WeakPolarHBondContact O-CA 3.34Å; S292-G298 PolarHBondContact O-N 3.37Å; C296-G298 PolarHBondContact O-N 3.24Å; C296-G298 VanDerWaalsContact O-N 3.16Å
299	F	95.6	Very high	92.3	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	12%	0.118	C	C	.	.	S	Bend	trans	-73.9	-40.2	-174.5	-75.3	-95.8	0	0	0	114.5	V226 A227 L230 A232 W236 V289 I290 P301 V452 G455 A456	V226-F299 HydrophobicContact CG1-CE2 4.32Å; V226-F299 HydrophobicContact CG1-CZ 4.07Å; A227-F299 HydrophobicContact CB-CD1 4.32Å; A227-F299 HydrophobicContact CB-CD2 4.3Å; A227-F299 HydrophobicContact CB-CE1 4.24Å; A227-F299 HydrophobicContact CB-CE2 4.19Å; A227-F299 HydrophobicContact CB-CG 4.34Å; A227-F299 HydrophobicContact CB-CZ 4.14Å; L230-F299 HydrophobicContact CB-CE1 4.05Å; L230-F299 HydrophobicContact CB-CZ 4.3Å; L230-F299 HydrophobicContact CD1-CE1 4.14Å; L230-F299 HydrophobicContact CD1-CZ 3.77Å; A232-F299 HydrophobicContact CB-CD1 3.9Å; A232-F299 HydrophobicContact CB-CE1 4.24Å; W236-F299 PolarHBondContact NE1-O 2.86Å; V289-F299 WeakPolarHBondContact O-CD2 3.27Å; V289-F299 PolarHBondContact O-N 3.1Å; I290-F299 PolarHBondContact O-N 3.02Å; F299-P301 WeakPolarHBondContact O-CD 3.33Å; F299-V452 HydrophobicContact CE2-CB 4.26Å; F299-V452 HydrophobicContact CE2-CG1 3.77Å; F299-V452 HydrophobicContact CE2-CG2 4.43Å; F299-V452 HydrophobicContact CZ-CG1 3.71Å; F299-G455 WeakPolarHBondContact CB-O 3.4Å; F299-A456 HydrophobicContact CD1-CB 4.26Å; F299-A456 HydrophobicContact CE1-CB 4.43Å
300	A	95.8	Very high	92	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.			trans	-128.7	67.5	-168.5	0	0	0	0	0	111.7	T241 I290 A291 D302 S303 T458 L459	T241-A300 CarbonylContact O-C 3.46Å; T241-A300 VanDerWaalsContact O-CA 3.31Å; T241-A300 WeakPolarHBondContact O-CA 3.33Å; I290-A300 PolarHBondContact O-N 3.14Å; A291-A300 VanDerWaalsContact CB-O 3.26Å; A291-A300 WeakPolarHBondContact CB-O 3.47Å; A300-D302 VanDerWaalsContact C-N 3.3Å; A300-D302 PolarHBondContact O-N 2.97Å; A300-S303 WeakPolarHBondContact O-CB 3.16Å; A300-S303 PolarHBondContact O-N 2.81Å; A300-S303 PolarHBondContact O-OG 3.3Å; A300-T458 HydrophobicContact CB-CG2 3.46Å; A300-T458 VanDerWaalsContact CB-CG2 3.46Å; A300-L459 HydrophobicContact CB-CB 4.49Å
301	P	94.2	Very high	91.6	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.071	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.5	-170.4	26.8	-36.9	0	0	0	115.6	T241 M293 F299	T241-P301 WeakPolarHBondContact O-CD 3.46Å; M293-P301 HydrophobicContact CG-CB 3.71Å; F299-P301 WeakPolarHBondContact O-CD 3.33Å
302	D	95.3	Very high	91.2	Very high	43 Å²	43	25.6 Å²	25.6	23%	0.23	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.1	178.5	-67.2	-55.6	0	0	0	113.2	T241 K262 N263 A300	T241-D302 WeakPolarHBondContact CB-OD2 3.17Å; T241-D302 PolarHBondContact O-N 3.33Å; T241-D302 VanDerWaalsContact O-N 3.08Å; T241-D302 WeakPolarHBondContact OG1-CB 3.32Å; T241-D302 PolarHBondContact OG1-OD2 2.87Å; K262-D302 IonicContact NZ-OD1 2.65Å; K262-D302 PolarHBondContact NZ-OD1 2.89Å; N263-D302 PolarHBondContact ND2-O 3.05Å; A300-D302 VanDerWaalsContact C-N 3.3Å; A300-D302 PolarHBondContact O-N 2.97Å
303	S	96	Very high	90.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-68.2	157.6	173.6	62.5	0	0	0	0	112.8	G242 N263 A300	G242-S303 VanDerWaalsContact O-CA 3.25Å; G242-S303 WeakPolarHBondContact O-CA 3.45Å; G242-S303 WeakPolarHBondContact O-CB 3.47Å; N263-S303 WeakPolarHBondContact CB-O 3.05Å; N263-S303 PolarHBondContact ND2-O 3.07Å; A300-S303 WeakPolarHBondContact O-CB 3.16Å; A300-S303 PolarHBondContact O-N 2.81Å; A300-S303 PolarHBondContact O-OG 3.3Å
304	E	96.3	Very high	90.6	Very high	52 Å²	52	32.5 Å²	32.5	24%	0.243	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.2	176.4	-62.6	-172.2	-172.5	0	0	109.5	V245 K246 V247 K265	V245-E304 PolarHBondContact O-N 2.88Å; K246-E304 HydrophobicContact CG-CB 4.22Å; V247-E304 PolarHBondContact N-O 3.26Å; K265-E304 HydrophobicContact CG-CB 3.8Å; K265-E304 HydrophobicContact CG-CG 4.08Å
305	L	96.1	Very high	90.7	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.2	179.8	-71.4	176.4	0	0	0	111.3	F261 N263 V264 K265 E266 I290 A291 I307	F261-L305 HydrophobicContact CD1-CD1 3.69Å; F261-L305 HydrophobicContact CE1-CD1 4.29Å; N263-L305 PolarHBondContact O-N 3.46Å; V264-L305 HydrophobicContact CG2-CB 4.49Å; V264-L305 HydrophobicContact CG2-CD1 4.26Å; K265-L305 PolarHBondContact N-O 3.02Å; E266-L305 PolarHBondContact N-O 3.42Å; I290-L305 HydrophobicContact CG2-CD2 4.45Å; A291-L305 HydrophobicContact CB-CD1 3.9Å; A291-L305 HydrophobicContact CB-CD2 3.85Å; A291-L305 HydrophobicContact CB-CG 4Å; L305-I307 HydrophobicContact CB-CD1 4.29Å
306	H	96.3	Very high	90.9	Very high	14 Å²	14	20 Å²	20	7%	0.065	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.5	168.3	-67.4	-99.3	0	0	0	108.8	V247 A248 V249 E266 F308 I334	V247-H306 PolarHBondContact O-N 3.13Å; A248-H306 CarbonylContact C-O 3.54Å; A248-H306 VanDerWaalsContact CA-O 3.23Å; A248-H306 WeakPolarHBondContact CA-O 3.15Å; A248-H306 HydrophobicContact CB-CB 4.38Å; V249-H306 PolarHBondContact N-O 3.12Å; E266-H306 IonicContact OE2-CE1 2.92Å; E266-H306 IonicContact OE2-ND1 2.81Å; E266-H306 PolarHBondContact OE2-ND1 3.01Å; H306-F308 HydrophobicContact CB-CD1 4.44Å; H306-F308 HydrophobicContact CB-CE1 3.87Å; H306-F308 HydrophobicContact CB-CZ 4.47Å; H306-I334 HydrophobicContact CB-CD1 3.97Å
307	I	95.3	Very high	90.9	Very high	3 Å²	3	20 Å²	20	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.1	-174.4	-54.1	-58.9	0	0	0	109.4	V249 L254 V264 E266 R267 T268 A287 L305	V249-I307 HydrophobicContact CB-CD1 3.99Å; V249-I307 HydrophobicContact CG2-CD1 4.16Å; L254-I307 HydrophobicContact CB-CB 4.2Å; L254-I307 HydrophobicContact CB-CD1 4.28Å; L254-I307 HydrophobicContact CB-CG1 3.8Å; L254-I307 HydrophobicContact CB-CG2 3.66Å; L254-I307 HydrophobicContact CD2-CD1 4.1Å; L254-I307 HydrophobicContact CD2-CG1 3.71Å; L254-I307 HydrophobicContact CG-CG1 4.38Å; V264-I307 HydrophobicContact CG1-CG1 4.41Å; E266-I307 PolarHBondContact O-N 3.44Å; R267-I307 WeakPolarHBondContact CA-O 3.44Å; R267-I307 HydrophobicContact CG-CB 4.1Å; R267-I307 HydrophobicContact CG-CG1 4.39Å; T268-I307 PolarHBondContact N-O 3.38Å; A287-I307 HydrophobicContact CB-CD1 4.1Å; L305-I307 HydrophobicContact CB-CD1 4.29Å
308	F	94.3	Very high	90.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	105.1	-179.2	-69.3	10.3	0	0	0	108.2	V249 F250 D251 T268 W270 H306 V310 A325 Y328 A329	V249-F308 PolarHBondContact O-N 2.88Å; F250-F308 WeakPolarHBondContact CA-O 3.33Å; F250-F308 HydrophobicContact CD1-CB 3.92Å; F250-F308 AromaticContact CD1-CD2 4Å; F250-F308 HydrophobicContact CD1-CD2 4Å; F250-F308 HydrophobicContact CD1-CG 4.26Å; F250-F308 HydrophobicContact CE1-CB 4.01Å; F250-F308 AromaticContact CE1-CD2 3.19Å; F250-F308 HydrophobicContact CE1-CD2 3.19Å; F250-F308 AromaticContact CE1-CE2 3.82Å; F250-F308 HydrophobicContact CE1-CE2 3.82Å; F250-F308 AromaticContact CE1-CG 3.87Å; F250-F308 HydrophobicContact CE1-CG 3.87Å; F250-F308 HydrophobicContact CE2-CD2 4.27Å; F250-F308 HydrophobicContact CG-CB 4.35Å; F250-F308 AromaticContact CZ-CD2 3.38Å; F250-F308 HydrophobicContact CZ-CD2 3.38Å; F250-F308 AromaticContact CZ-CE2 3.93Å; F250-F308 HydrophobicContact CZ-CE2 3.93Å; F250-F308 HydrophobicContact CZ-CG 4.36Å; D251-F308 PolarHBondContact N-O 2.95Å; D251-F308 VanDerWaalsContact N-O 3.16Å; T268-F308 WeakPolarHBondContact OG1-CD1 3.41Å; W270-F308 HydrophobicContact CZ2-CD2 4.5Å; W270-F308 HydrophobicContact CZ2-CE2 4.46Å; W270-F308 AromaticContact NE1-CD2 3.62Å; W270-F308 AromaticContact NE1-CG 3.53Å; H306-F308 HydrophobicContact CB-CD1 4.44Å; H306-F308 HydrophobicContact CB-CE1 3.87Å; H306-F308 HydrophobicContact CB-CZ 4.47Å; F308-V310 HydrophobicContact CB-CG1 4.48Å; F308-V310 PolarHBondContact O-N 3.12Å; F308-A325 HydrophobicContact CD2-CB 4.15Å; F308-Y328 HydrophobicContact CE1-CD1 4.32Å; F308-Y328 HydrophobicContact CE1-CE1 4.36Å; F308-Y328 AromaticContact CE2-CD1 3.94Å; F308-Y328 HydrophobicContact CE2-CD1 3.94Å; F308-Y328 AromaticContact CZ-CD1 3.56Å; F308-Y328 HydrophobicContact CZ-CD1 3.56Å; F308-Y328 AromaticContact CZ-CE1 3.97Å; F308-Y328 HydrophobicContact CZ-CE1 3.97Å; F308-A329 HydrophobicContact CE2-CB 4.03Å
309	R	91.9	Very high	90.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.1	173	177.6	179.9	170.9	81.8	-2.8	108.5	D251 T252 T268 N269 W270 T271 E273 F311 N313	D251-R309 WeakPolarHBondContact O-CA 3.39Å; T252-R309 PolarHBondContact O-NH1 2.94Å; T268-R309 PolarHBondContact O-N 3.18Å; N269-R309 HydrophobicContact CB-CB 4.47Å; N269-R309 WeakPolarHBondContact OD1-CD 3.37Å; N269-R309 PolarHBondContact OD1-O 3.17Å; W270-R309 PolarHBondContact N-O 2.99Å; T271-R309 HydrophobicContact CG2-CG 4.38Å; E273-R309 IonicContact OE2-CZ 3.64Å; E273-R309 IonicContact OE2-NH2 2.77Å; E273-R309 PolarHBondContact OE2-NH2 3.43Å; R309-F311 WeakPolarHBondContact CG-O 3.36Å; R309-F311 PolarHBondContact NE-O 3.43Å; R309-F311 PolarHBondContact NH1-O 3.3Å; R309-F311 PolarHBondContact NH2-O 2.96Å; R309-N313 PolarHBondContact NH1-OD1 3.22Å; R309-N313 VanDerWaalsContact NH2-CG 3.32Å; R309-N313 PolarHBondContact NH2-OD1 2.65Å
310	V	89.4	Confident	90.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.			trans	-115.2	-5.1	179.8	-63.9	0	0	0	0	112.5	F250 D251 W270 F308 S317 F322 A325	F250-V310 HydrophobicContact CB-CG2 4.16Å; F250-V310 HydrophobicContact CD2-CG1 4.14Å; D251-V310 PolarHBondContact O-N 3.36Å; W270-V310 HydrophobicContact CB-CG1 4.2Å; W270-V310 HydrophobicContact CG-CG1 4.22Å; F308-V310 HydrophobicContact CB-CG1 4.48Å; F308-V310 PolarHBondContact O-N 3.12Å; V310-S317 WeakPolarHBondContact O-CB 3.39Å; V310-S317 PolarHBondContact O-OG 3.16Å; V310-F322 HydrophobicContact CB-CE1 4.3Å; V310-F322 HydrophobicContact CG2-CD1 4.46Å; V310-F322 HydrophobicContact CG2-CE1 3.77Å; V310-F322 HydrophobicContact CG2-CZ 4.09Å; V310-A325 HydrophobicContact CG1-CB 3.98Å
311	F	87.2	Confident	89.9	Confident	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.108	C	C	.	.	S	Bend	trans	-116.2	139.8	172.6	-74.1	-92.7	0	0	0	111.5	V161 R163 T252 R309 V316 F322 I341	V161-F311 HydrophobicContact CG1-CE1 4.46Å; R163-F311 HydrophobicContact CB-CD1 4.23Å; R163-F311 HydrophobicContact CB-CE1 3.81Å; T252-F311 HydrophobicContact CG2-CB 4.18Å; R309-F311 WeakPolarHBondContact CG-O 3.36Å; R309-F311 PolarHBondContact NE-O 3.43Å; R309-F311 PolarHBondContact NH1-O 3.3Å; R309-F311 PolarHBondContact NH2-O 2.96Å; F311-V316 WeakPolarHBondContact CA-O 3.03Å; F311-F322 HydrophobicContact CE2-CE1 4.42Å; F311-F322 HydrophobicContact CE2-CE2 4.4Å; F311-F322 AromaticContact CE2-CZ 3.62Å; F311-F322 HydrophobicContact CE2-CZ 3.62Å; F311-F322 HydrophobicContact CZ-CE2 4.28Å; F311-F322 AromaticContact CZ-CZ 3.79Å; F311-F322 HydrophobicContact CZ-CZ 3.79Å; F311-I341 HydrophobicContact CD2-CD1 3.73Å; F311-I341 HydrophobicContact CE2-CD1 3.01Å; F311-I341 HydrophobicContact CE2-CG1 4.41Å; F311-I341 HydrophobicContact CZ-CD1 3.64Å; F311-I341 HydrophobicContact CZ-CG2 4.14Å
312	T	86.5	Confident	89.7	Confident	6 Å²	6	21.4 Å²	21.4	4%	0.037	11%	0.107	C	C	.	.			trans	-72.3	172.1	169.9	61.4	0	0	0	0	111.2	T271 E273 N314 Q315 V316 W321	T271-T312 HydrophobicContact CG2-CG2 4.05Å; E273-T312 HydrophobicContact CG-CG2 4.08Å; E273-T312 WeakPolarHBondContact OE1-CB 3.46Å; T312-N314 PolarHBondContact O-N 2.84Å; T312-Q315 WeakPolarHBondContact O-CA 3.4Å; T312-Q315 PolarHBondContact O-N 3.16Å; T312-Q315 PolarHBondContact OG1-N 2.82Å; T312-V316 PolarHBondContact N-O 2.86Å; T312-V316 WeakPolarHBondContact OG1-CB 3.5Å; T312-V316 PolarHBondContact OG1-N 2.9Å; T312-V316 PolarHBondContact OG1-O 3.42Å; T312-W321 HydrophobicContact CG2-CH2 4.02Å; T312-W321 HydrophobicContact CG2-CZ3 4.01Å
313	N	84.8	Confident	89.5	Confident	57 Å²	57	19.5 Å²	19.5	31%	0.305	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24	174.2	-69.9	-22	0	0	0	112.2	E273 G279 R309 Q315	E273-N313 PolarHBondContact OE1-N 2.79Å; E273-N313 PolarHBondContact OE2-N 3.35Å; E273-N313 VanDerWaalsContact OE2-N 3.14Å; G279-N313 WeakPolarHBondContact CA-OD1 3.29Å; G279-N313 PolarHBondContact N-OD1 2.79Å; R309-N313 PolarHBondContact NH1-OD1 3.22Å; R309-N313 VanDerWaalsContact NH2-CG 3.32Å; R309-N313 PolarHBondContact NH2-OD1 2.65Å; N313-Q315 PolarHBondContact O-N 2.99Å
314	N	81.5	Confident	89.4	Confident	129 Å²	129	19.6 Å²	19.6	69%	0.69	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	5.5	168.4	-61.8	-22.8	0	0	0	112.6	T312 V316	T312-N314 PolarHBondContact O-N 2.84Å; N314-V316 VanDerWaalsContact C-N 3.28Å; N314-V316 HydrophobicContact CB-CG2 4.41Å; N314-V316 PolarHBondContact O-N 2.81Å
315	Q	81.3	Confident	89.2	Confident	27 Å²	27	17.1 Å²	17.1	13%	0.126	9%	0.085	C	C	.	.			trans	60.7	34.6	175.9	-54.4	174.6	73.3	0	0	114.3	R163 L280 T312 N313	R163-Q315 HydrophobicContact CB-CB 4.43Å; R163-Q315 PolarHBondContact N-O 3.3Å; R163-Q315 WeakPolarHBondContact O-CB 3.18Å; R163-Q315 VanDerWaalsContact O-CD 3.26Å; R163-Q315 PolarHBondContact O-OE1 3.39Å; R163-Q315 VanDerWaalsContact O-OE1 3.08Å; L280-Q315 HydrophobicContact CD1-CG 3.37Å; L280-Q315 HydrophobicContact CD2-CG 4.37Å; T312-Q315 WeakPolarHBondContact O-CA 3.4Å; T312-Q315 PolarHBondContact O-N 3.16Å; T312-Q315 PolarHBondContact OG1-N 2.82Å; N313-Q315 PolarHBondContact O-N 2.99Å
316	V	83.9	Confident	89.1	Confident	17 Å²	17	17 Å²	17	10%	0.103	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.4	172.7	-179	0	0	0	0	109.3	K160 V161 F162 F311 T312 N314 Y318	K160-V316 HydrophobicContact CD-CG1 4.06Å; K160-V316 VanDerWaalsContact CE-CG1 3.41Å; K160-V316 HydrophobicContact CG-CG1 3.53Å; V161-V316 CarbonylContact O-C 3.58Å; V161-V316 WeakPolarHBondContact O-CA 3.11Å; F162-V316 HydrophobicContact CD1-CG2 3.65Å; F162-V316 HydrophobicContact CE1-CG2 3.63Å; F162-V316 HydrophobicContact CG-CG2 4.44Å; F162-V316 HydrophobicContact CZ-CG2 4.39Å; F311-V316 WeakPolarHBondContact CA-O 3.03Å; T312-V316 PolarHBondContact N-O 2.86Å; T312-V316 WeakPolarHBondContact OG1-CB 3.5Å; T312-V316 PolarHBondContact OG1-N 2.9Å; T312-V316 PolarHBondContact OG1-O 3.42Å; N314-V316 VanDerWaalsContact C-N 3.28Å; N314-V316 HydrophobicContact CB-CG2 4.41Å; N314-V316 PolarHBondContact O-N 2.81Å; V316-Y318 HydrophobicContact CG1-CD2 4.48Å; V316-Y318 HydrophobicContact CG1-CE2 4.02Å
317	S	86.1	Confident	88.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	168.1	170.6	-166.6	0	0	0	0	110.3	K160 V161 V310 F322	K160-S317 CarbonylContact C-O 3.55Å; K160-S317 VanDerWaalsContact C-O 3.27Å; K160-S317 WeakPolarHBondContact CA-O 3.5Å; V161-S317 PolarHBondContact N-O 3.43Å; V161-S317 PolarHBondContact O-N 3.3Å; V310-S317 WeakPolarHBondContact O-CB 3.39Å; V310-S317 PolarHBondContact O-OG 3.16Å; S317-F322 WeakPolarHBondContact OG-CE2 3.32Å
318	Y	86.2	Confident	88.9	Confident	46 Å²	46	17 Å²	17	18%	0.18	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.4	178.1	-75.9	-99.1	0	0	0	109.1	V79 Q158 R159 K160 V316 S320 W321 F322	V79-Y318 HydrophobicContact CG2-CD1 3.82Å; V79-Y318 HydrophobicContact CG2-CE1 3.52Å; Q158-Y318 HydrophobicContact CG-CD1 4.32Å; R159-Y318 CarbonylContact O-C 3.38Å; R159-Y318 VanDerWaalsContact O-CA 3.31Å; R159-Y318 WeakPolarHBondContact O-CA 3.36Å; K160-Y318 HydrophobicContact CB-CD1 3.82Å; K160-Y318 HydrophobicContact CB-CE1 3.69Å; K160-Y318 HydrophobicContact CB-CG 4.42Å; K160-Y318 HydrophobicContact CD-CE1 4.08Å; K160-Y318 HydrophobicContact CG-CD1 4.19Å; K160-Y318 HydrophobicContact CG-CD2 4.44Å; K160-Y318 HydrophobicContact CG-CE1 3.79Å; K160-Y318 HydrophobicContact CG-CE2 4.06Å; V316-Y318 HydrophobicContact CG1-CD2 4.48Å; V316-Y318 HydrophobicContact CG1-CE2 4.02Å; Y318-S320 VanDerWaalsContact C-N 3.35Å; Y318-S320 PolarHBondContact O-N 2.55Å; Y318-W321 AromaticContact CD2-CD2 3.85Å; Y318-W321 HydrophobicContact CD2-CD2 3.85Å; Y318-W321 AromaticContact CD2-CE2 3.56Å; Y318-W321 AromaticContact CD2-CE3 3.85Å; Y318-W321 HydrophobicContact CD2-CE3 3.85Å; Y318-W321 AromaticContact CD2-CH2 3.36Å; Y318-W321 HydrophobicContact CD2-CH2 3.36Å; Y318-W321 AromaticContact CD2-CZ2 3.33Å; Y318-W321 HydrophobicContact CD2-CZ2 3.33Å; Y318-W321 AromaticContact CD2-CZ3 3.61Å; Y318-W321 HydrophobicContact CD2-CZ3 3.61Å; Y318-W321 AromaticContact CE2-CH2 3.62Å; Y318-W321 HydrophobicContact CE2-CH2 3.62Å; Y318-W321 AromaticContact CE2-CZ2 3.69Å; Y318-W321 HydrophobicContact CE2-CZ2 3.69Å; Y318-W321 HydrophobicContact CE2-CZ3 4.23Å; Y318-W321 HydrophobicContact CG-CD2 4.26Å; Y318-W321 HydrophobicContact CG-CZ2 4.25Å; Y318-W321 WeakPolarHBondContact O-CB 3.32Å; Y318-W321 PolarHBondContact O-N 2.85Å; Y318-F322 WeakPolarHBondContact O-CD2 3.43Å; Y318-F322 PolarHBondContact O-N 3.47Å
319	T	86.9	Confident	88.9	Confident	2 Å²	2	17 Å²	17	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-53.7	-50.3	177.6	-59.2	0	0	0	0	111.6	I84 Q158 R159 W321 F322 L323 D348 P350	I84-T319 HydrophobicContact CD1-CG2 3.61Å; Q158-T319 VanDerWaalsContact NE2-N 3.15Å; R159-T319 WeakPolarHBondContact CB-OG1 3.39Å; R159-T319 PolarHBondContact O-N 3.44Å; T319-W321 PolarHBondContact O-N 3.27Å; T319-W321 VanDerWaalsContact O-N 3.16Å; T319-F322 WeakPolarHBondContact O-CA 3.45Å; T319-F322 WeakPolarHBondContact O-CB 3.3Å; T319-F322 PolarHBondContact O-N 2.94Å; T319-L323 HydrophobicContact CG2-CD1 4.2Å; T319-L323 HydrophobicContact CG2-CG 4.17Å; T319-L323 WeakPolarHBondContact O-CG 3.19Å; T319-L323 PolarHBondContact O-N 2.98Å; T319-D348 WeakPolarHBondContact CB-OD2 3.37Å; T319-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T319-D348 WeakPolarHBondContact CG2-OD2 3.25Å; T319-D348 PolarHBondContact OG1-OD2 3.03Å; T319-P350 HydrophobicContact CG2-CB 4.3Å
320	S	88.8	Confident	89	Confident	5 Å²	5	18 Å²	18	4%	0.035	9%	0.09	C	C	.	.	H	α-helix	trans	-49.8	-36.8	173.3	52.3	0	0	0	0	114.4	Q158 Y318 L323 D324	Q158-S320 PolarHBondContact NE2-OG 3.15Å; Q158-S320 PolarHBondContact OE1-OG 2.88Å; Y318-S320 VanDerWaalsContact C-N 3.35Å; Y318-S320 PolarHBondContact O-N 2.55Å; S320-L323 PolarHBondContact O-N 2.9Å; S320-D324 WeakPolarHBondContact O-CB 3.29Å; S320-D324 PolarHBondContact O-N 2.93Å
321	W	90.3	Very high	89.2	Confident	32 Å²	32	21.9 Å²	21.9	12%	0.121	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-39.6	176.7	-60.9	-10.7	0	0	0	111.6	W270 T271 N272 T312 Y318 T319 A325	W270-W321 HydrophobicContact CB-CB 4.26Å; W270-W321 VanDerWaalsContact O-CD1 3.28Å; W270-W321 VanDerWaalsContact O-CD2 3.24Å; W270-W321 PolarHBondContact O-NE1 2.9Å; T271-W321 HydrophobicContact CG2-CE3 3.81Å; T271-W321 HydrophobicContact CG2-CH2 4.26Å; T271-W321 HydrophobicContact CG2-CZ3 3.54Å; N272-W321 HydrophobicContact CB-CZ2 4.2Å; T312-W321 HydrophobicContact CG2-CH2 4.02Å; T312-W321 HydrophobicContact CG2-CZ3 4.01Å; Y318-W321 AromaticContact CD2-CD2 3.85Å; Y318-W321 HydrophobicContact CD2-CD2 3.85Å; Y318-W321 AromaticContact CD2-CE2 3.56Å; Y318-W321 AromaticContact CD2-CE3 3.85Å; Y318-W321 HydrophobicContact CD2-CE3 3.85Å; Y318-W321 AromaticContact CD2-CH2 3.36Å; Y318-W321 HydrophobicContact CD2-CH2 3.36Å; Y318-W321 AromaticContact CD2-CZ2 3.33Å; Y318-W321 HydrophobicContact CD2-CZ2 3.33Å; Y318-W321 AromaticContact CD2-CZ3 3.61Å; Y318-W321 HydrophobicContact CD2-CZ3 3.61Å; Y318-W321 AromaticContact CE2-CH2 3.62Å; Y318-W321 HydrophobicContact CE2-CH2 3.62Å; Y318-W321 AromaticContact CE2-CZ2 3.69Å; Y318-W321 HydrophobicContact CE2-CZ2 3.69Å; Y318-W321 HydrophobicContact CE2-CZ3 4.23Å; Y318-W321 HydrophobicContact CG-CD2 4.26Å; Y318-W321 HydrophobicContact CG-CZ2 4.25Å; Y318-W321 WeakPolarHBondContact O-CB 3.32Å; Y318-W321 PolarHBondContact O-N 2.85Å; T319-W321 PolarHBondContact O-N 3.27Å; T319-W321 VanDerWaalsContact O-N 3.16Å; W321-A325 WeakPolarHBondContact O-CB 3.37Å; W321-A325 PolarHBondContact O-N 2.95Å
322	F	90.3	Very high	89.5	Confident	9 Å²	9	25.5 Å²	25.5	4%	0.039	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-45.3	172	-76.8	-76.7	0	0	0	111.8	F250 V310 F311 S317 Y318 T319 D324 A325 F326 L339 F351	F250-F322 HydrophobicContact CD2-CD1 4.25Å; V310-F322 HydrophobicContact CB-CE1 4.3Å; V310-F322 HydrophobicContact CG2-CD1 4.46Å; V310-F322 HydrophobicContact CG2-CE1 3.77Å; V310-F322 HydrophobicContact CG2-CZ 4.09Å; F311-F322 HydrophobicContact CE2-CE1 4.42Å; F311-F322 HydrophobicContact CE2-CE2 4.4Å; F311-F322 AromaticContact CE2-CZ 3.62Å; F311-F322 HydrophobicContact CE2-CZ 3.62Å; F311-F322 HydrophobicContact CZ-CE2 4.28Å; F311-F322 AromaticContact CZ-CZ 3.79Å; F311-F322 HydrophobicContact CZ-CZ 3.79Å; S317-F322 WeakPolarHBondContact OG-CE2 3.32Å; Y318-F322 WeakPolarHBondContact O-CD2 3.43Å; Y318-F322 PolarHBondContact O-N 3.47Å; T319-F322 WeakPolarHBondContact O-CA 3.45Å; T319-F322 WeakPolarHBondContact O-CB 3.3Å; T319-F322 PolarHBondContact O-N 2.94Å; F322-D324 VanDerWaalsContact C-N 3.32Å; F322-D324 PolarHBondContact O-N 3.28Å; F322-A325 PolarHBondContact O-N 3.48Å; F322-F326 HydrophobicContact CB-CD2 4.23Å; F322-F326 HydrophobicContact CB-CE2 3.97Å; F322-F326 HydrophobicContact CD1-CE2 4.34Å; F322-F326 HydrophobicContact CD1-CZ 4.26Å; F322-F326 WeakPolarHBondContact O-CB 3.33Å; F322-F326 WeakPolarHBondContact O-CD2 3.36Å; F322-F326 VanDerWaalsContact O-CG 3.23Å; F322-F326 WeakPolarHBondContact O-CG 3.17Å; F322-F326 PolarHBondContact O-N 3.43Å; F322-L339 HydrophobicContact CE1-CD1 3.99Å; F322-F351 HydrophobicContact CB-CD2 4.02Å; F322-F351 HydrophobicContact CB-CE2 4.08Å; F322-F351 AromaticContact CD1-CE2 3.96Å; F322-F351 HydrophobicContact CD1-CE2 3.96Å; F322-F351 HydrophobicContact CD2-CE2 4.39Å; F322-F351 HydrophobicContact CE1-CE2 4.45Å; F322-F351 HydrophobicContact CG-CD2 4.23Å; F322-F351 AromaticContact CG-CE2 3.91Å; F322-F351 HydrophobicContact CG-CE2 3.91Å
323	L	91	Very high	89.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-45	179.5	-61.6	-178	0	0	0	111.5	I84 F130 T319 S320 F326 N327 P350 K354	I84-L323 HydrophobicContact CD1-CD1 4.1Å; I84-L323 HydrophobicContact CG2-CD1 3.98Å; F130-L323 HydrophobicContact CD1-CB 3.84Å; F130-L323 HydrophobicContact CD1-CD1 4.06Å; F130-L323 HydrophobicContact CD2-CD1 4.04Å; F130-L323 HydrophobicContact CE1-CB 3.35Å; F130-L323 HydrophobicContact CE1-CD1 4.24Å; F130-L323 HydrophobicContact CE1-CG 4.44Å; F130-L323 HydrophobicContact CE2-CB 4.36Å; F130-L323 HydrophobicContact CE2-CD1 4.2Å; F130-L323 HydrophobicContact CG-CD1 3.95Å; F130-L323 HydrophobicContact CZ-CB 3.64Å; F130-L323 HydrophobicContact CZ-CD1 4.29Å; T319-L323 HydrophobicContact CG2-CD1 4.2Å; T319-L323 HydrophobicContact CG2-CG 4.17Å; T319-L323 WeakPolarHBondContact O-CG 3.19Å; T319-L323 PolarHBondContact O-N 2.98Å; S320-L323 PolarHBondContact O-N 2.9Å; L323-F326 PolarHBondContact O-N 2.53Å; L323-N327 WeakPolarHBondContact O-CB 3.27Å; L323-N327 PolarHBondContact O-N 3.42Å; L323-P350 HydrophobicContact CD1-CB 3.99Å; L323-P350 HydrophobicContact CD2-CB 4.25Å; L323-P350 WeakPolarHBondContact CD2-O 3.19Å; L323-K354 HydrophobicContact CD2-CB 3.63Å; L323-K354 HydrophobicContact CD2-CG 3.9Å
324	D	92.1	Very high	90.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-45.6	175.8	-84.6	-16.6	0	0	0	112.7	R119 N121 A123 F130 W270 S320 F322 F326 N327 Y328	R119-D324 WeakPolarHBondContact CD-OD2 3.42Å; R119-D324 IonicContact CZ-OD1 3.91Å; R119-D324 IonicContact NH1-OD1 3.09Å; R119-D324 PolarHBondContact NH1-OD1 3.37Å; R119-D324 IonicContact NH1-OD2 3.63Å; R119-D324 PolarHBondContact NH1-OD2 2.95Å; N121-D324 PolarHBondContact ND2-OD2 2.64Å; A123-D324 HydrophobicContact CB-CB 4.09Å; F130-D324 WeakPolarHBondContact CE1-OD1 3.37Å; F130-D324 HydrophobicContact CZ-CB 4.47Å; F130-D324 WeakPolarHBondContact CZ-OD1 3.36Å; W270-D324 HydrophobicContact CE3-CB 3.76Å; W270-D324 HydrophobicContact CZ3-CB 3.67Å; S320-D324 WeakPolarHBondContact O-CB 3.29Å; S320-D324 PolarHBondContact O-N 2.93Å; F322-D324 VanDerWaalsContact C-N 3.32Å; F322-D324 PolarHBondContact O-N 3.28Å; D324-F326 VanDerWaalsContact C-N 3.31Å; D324-F326 PolarHBondContact O-N 2.81Å; D324-N327 PolarHBondContact O-N 3.15Å; D324-Y328 WeakPolarHBondContact O-CB 3.46Å; D324-Y328 PolarHBondContact O-N 3.49Å
325	A	92.9	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-38.9	177.5	0	0	0	0	0	111.9	F250 W270 F308 V310 W321 F322 Y328 A329	F250-A325 HydrophobicContact CD2-CB 4.32Å; F250-A325 HydrophobicContact CE2-CB 3.5Å; F250-A325 VanDerWaalsContact CE2-CB 3.5Å; F250-A325 HydrophobicContact CZ-CB 3.88Å; W270-A325 HydrophobicContact CD2-CB 3.77Å; W270-A325 HydrophobicContact CE3-CB 4.35Å; W270-A325 HydrophobicContact CG-CB 3.91Å; W270-A325 HydrophobicContact CZ2-CB 4.35Å; F308-A325 HydrophobicContact CD2-CB 4.15Å; V310-A325 HydrophobicContact CG1-CB 3.98Å; W321-A325 WeakPolarHBondContact O-CB 3.37Å; W321-A325 PolarHBondContact O-N 2.95Å; F322-A325 PolarHBondContact O-N 3.48Å; A325-Y328 PolarHBondContact O-N 3.22Å; A325-A329 WeakPolarHBondContact O-CB 3.18Å; A325-A329 PolarHBondContact O-N 3.3Å
326	F	93.8	Very high	91.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-46.3	174.9	-70.7	-42.1	0	0	0	111.9	F250 F322 L323 D324 Y328 A329 I330 L337 F351 K354 V355 L358 M365	F250-F326 HydrophobicContact CD2-CD1 4.35Å; F250-F326 AromaticContact CD2-CE1 3.95Å; F250-F326 HydrophobicContact CD2-CE1 3.95Å; F250-F326 AromaticContact CE2-CD1 3.46Å; F250-F326 HydrophobicContact CE2-CD1 3.46Å; F250-F326 VanDerWaalsContact CE2-CD1 3.46Å; F250-F326 AromaticContact CE2-CE1 3.51Å; F250-F326 HydrophobicContact CE2-CE1 3.51Å; F250-F326 HydrophobicContact CE2-CG 4.26Å; F250-F326 HydrophobicContact CE2-CZ 4.36Å; F250-F326 AromaticContact CZ-CD1 3.82Å; F250-F326 HydrophobicContact CZ-CD1 3.82Å; F250-F326 HydrophobicContact CZ-CE1 4.14Å; F322-F326 HydrophobicContact CB-CD2 4.23Å; F322-F326 HydrophobicContact CB-CE2 3.97Å; F322-F326 HydrophobicContact CD1-CE2 4.34Å; F322-F326 HydrophobicContact CD1-CZ 4.26Å; F322-F326 WeakPolarHBondContact O-CB 3.33Å; F322-F326 WeakPolarHBondContact O-CD2 3.36Å; F322-F326 VanDerWaalsContact O-CG 3.23Å; F322-F326 WeakPolarHBondContact O-CG 3.17Å; F322-F326 PolarHBondContact O-N 3.43Å; L323-F326 PolarHBondContact O-N 2.53Å; D324-F326 VanDerWaalsContact C-N 3.31Å; D324-F326 PolarHBondContact O-N 2.81Å; F326-Y328 PolarHBondContact O-N 3.41Å; F326-A329 WeakPolarHBondContact O-CB 3.41Å; F326-A329 PolarHBondContact O-N 2.77Å; F326-A329 VanDerWaalsContact O-N 3.1Å; F326-I330 WeakPolarHBondContact O-CG1 3.42Å; F326-I330 PolarHBondContact O-N 3.45Å; F326-L337 HydrophobicContact CD1-CD1 3.93Å; F326-L337 HydrophobicContact CE1-CD1 3.83Å; F326-L337 HydrophobicContact CE1-CD2 4.42Å; F326-F351 AromaticContact CE2-CD2 3.87Å; F326-F351 HydrophobicContact CE2-CD2 3.87Å; F326-F351 AromaticContact CE2-CE2 3.53Å; F326-F351 HydrophobicContact CE2-CE2 3.53Å; F326-F351 HydrophobicContact CE2-CZ 4.26Å; F326-F351 AromaticContact CZ-CE2 3.84Å; F326-F351 HydrophobicContact CZ-CE2 3.84Å; F326-F351 HydrophobicContact CZ-CZ 4.24Å; F326-K354 HydrophobicContact CB-CD 3.99Å; F326-K354 HydrophobicContact CB-CG 3.52Å; F326-K354 HydrophobicContact CD2-CB 4.2Å; F326-K354 HydrophobicContact CD2-CG 3.5Å; F326-K354 HydrophobicContact CG-CG 3.89Å; F326-V355 HydrophobicContact CE2-CG2 4.48Å; F326-V355 HydrophobicContact CZ-CG2 4.49Å; F326-L358 HydrophobicContact CB-CD1 4.36Å; F326-L358 HydrophobicContact CD1-CD1 4.04Å; F326-L358 HydrophobicContact CD1-CD2 4.07Å; F326-L358 HydrophobicContact CE1-CD2 4.17Å; F326-M365 HydrophobicContact CZ-CE 4.46Å
327	N	93.5	Very high	92.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-55.7	-43.6	174.3	-81	-18.8	0	0	0	111.2	Y90 D129 L323 D324 I330 L331 K354	Y90-N327 PolarHBondContact OH-OD1 3.37Å; D129-N327 PolarHBondContact OD1-ND2 3.39Å; D129-N327 PolarHBondContact OD1-OD1 3.02Å; L323-N327 WeakPolarHBondContact O-CB 3.27Å; L323-N327 PolarHBondContact O-N 3.42Å; D324-N327 PolarHBondContact O-N 3.15Å; N327-I330 PolarHBondContact O-N 3.07Å; N327-L331 VanDerWaalsContact O-CG 3.3Å; N327-L331 WeakPolarHBondContact O-CG 2.99Å; N327-L331 PolarHBondContact O-N 3.29Å; N327-K354 PolarHBondContact OD1-NZ 3.15Å
328	Y	94.4	Very high	92.9	Very high	15 Å²	15	24.9 Å²	24.9	6%	0.059	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-36.8	176.7	-169.3	-102.5	0	0	0	113.2	P122 F126 E266 W270 F308 D324 A325 F326 I330 L331 K332	P122-Y328 HydrophobicContact CB-CD2 4.23Å; P122-Y328 HydrophobicContact CB-CE2 3.76Å; F126-Y328 HydrophobicContact CE2-CD2 4.42Å; F126-Y328 HydrophobicContact CE2-CE2 4.14Å; E266-Y328 VanDerWaalsContact OE1-CE1 3.25Å; E266-Y328 WeakPolarHBondContact OE1-CE1 3.44Å; E266-Y328 PolarHBondContact OE1-OH 2.81Å; W270-Y328 AromaticContact CH2-CD1 3.97Å; W270-Y328 HydrophobicContact CH2-CD1 3.97Å; W270-Y328 HydrophobicContact CH2-CD2 4.12Å; W270-Y328 AromaticContact CH2-CG 3.58Å; W270-Y328 HydrophobicContact CH2-CG 3.58Å; W270-Y328 AromaticContact CZ2-CD1 3.57Å; W270-Y328 HydrophobicContact CZ2-CD1 3.57Å; W270-Y328 HydrophobicContact CZ2-CE1 4.31Å; W270-Y328 AromaticContact CZ2-CG 3.68Å; W270-Y328 HydrophobicContact CZ2-CG 3.68Å; F308-Y328 HydrophobicContact CE1-CD1 4.32Å; F308-Y328 HydrophobicContact CE1-CE1 4.36Å; F308-Y328 AromaticContact CE2-CD1 3.94Å; F308-Y328 HydrophobicContact CE2-CD1 3.94Å; F308-Y328 AromaticContact CZ-CD1 3.56Å; F308-Y328 HydrophobicContact CZ-CD1 3.56Å; F308-Y328 AromaticContact CZ-CE1 3.97Å; F308-Y328 HydrophobicContact CZ-CE1 3.97Å; D324-Y328 WeakPolarHBondContact O-CB 3.46Å; D324-Y328 PolarHBondContact O-N 3.49Å; A325-Y328 PolarHBondContact O-N 3.22Å; F326-Y328 PolarHBondContact O-N 3.41Å; Y328-I330 VanDerWaalsContact C-N 3.33Å; Y328-I330 PolarHBondContact O-N 2.92Å; Y328-L331 PolarHBondContact O-N 3.07Å; Y328-K332 HydrophobicContact CD1-CG 4.05Å; Y328-K332 HydrophobicContact CE1-CD 4.39Å; Y328-K332 HydrophobicContact CE1-CG 3.81Å; Y328-K332 WeakPolarHBondContact O-CB 3.12Å; Y328-K332 WeakPolarHBondContact O-CG 3.41Å; Y328-K332 PolarHBondContact O-N 3.46Å; Y328-K332 WeakPolarHBondContact OH-CE 3.42Å; Y328-K332 PolarHBondContact OH-NZ 2.95Å
329	A	94.6	Very high	93.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-40.5	173.3	0	0	0	0	0	112	F250 F308 A325 F326 K332 K333 I334 L358	F250-A329 HydrophobicContact CZ-CB 4.18Å; F308-A329 HydrophobicContact CE2-CB 4.03Å; A325-A329 WeakPolarHBondContact O-CB 3.18Å; A325-A329 PolarHBondContact O-N 3.3Å; F326-A329 WeakPolarHBondContact O-CB 3.41Å; F326-A329 PolarHBondContact O-N 2.77Å; F326-A329 VanDerWaalsContact O-N 3.1Å; A329-K332 PolarHBondContact O-N 3.18Å; A329-K333 PolarHBondContact O-N 3.31Å; A329-K333 VanDerWaalsContact O-N 3.15Å; A329-I334 HydrophobicContact CB-CB 4.39Å; A329-I334 HydrophobicContact CB-CG1 3.95Å; A329-I334 WeakPolarHBondContact O-CG1 3.46Å; A329-I334 PolarHBondContact O-N 2.88Å; A329-I334 VanDerWaalsContact O-N 3.12Å; A329-L358 HydrophobicContact CB-CD1 4.27Å
330	I	93.9	Very high	92.8	Very high	24 Å²	24	22.7 Å²	22.7	12%	0.123	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-49	174	-65	166.8	0	0	0	109.8	F326 N327 Y328 K332 K333 E357 L358 N361	F326-I330 WeakPolarHBondContact O-CG1 3.42Å; F326-I330 PolarHBondContact O-N 3.45Å; N327-I330 PolarHBondContact O-N 3.07Å; Y328-I330 VanDerWaalsContact C-N 3.33Å; Y328-I330 PolarHBondContact O-N 2.92Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 2.75Å; I330-K333 PolarHBondContact O-N 2.9Å; I330-E357 HydrophobicContact CD1-CG 4.21Å; I330-L358 HydrophobicContact CD1-CD1 4.41Å; I330-L358 HydrophobicContact CG1-CD1 3.87Å; I330-N361 HydrophobicContact CG1-CB 4.26Å; I330-N361 HydrophobicContact CG2-CB 3.94Å
331	L	92.7	Very high	92	Very high	81 Å²	81	22.9 Å²	22.9	42%	0.424	11%	0.106	S	C	.	.	H	α-helix	trans	-59.5	-38.4	178.4	-71.3	168.9	0	0	0	112.8	F126 N327 Y328 K333	F126-L331 HydrophobicContact CB-CD1 3.58Å; F126-L331 HydrophobicContact CD1-CD1 3.97Å; F126-L331 HydrophobicContact CD2-CD1 4.03Å; F126-L331 HydrophobicContact CG-CD1 3.57Å; N327-L331 VanDerWaalsContact O-CG 3.3Å; N327-L331 WeakPolarHBondContact O-CG 2.99Å; N327-L331 PolarHBondContact O-N 3.29Å; Y328-L331 PolarHBondContact O-N 3.07Å; L331-K333 PolarHBondContact O-N 3.08Å
332	K	93.1	Very high	90.8	Very high	76 Å²	76	21.9 Å²	21.9	33%	0.33	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-7.7	176.5	-69.9	-63.3	-174.8	-179	0	114	K246 Y328 A329 I330 I334	K246-K332 PolarHBondContact NZ-O 3.08Å; Y328-K332 HydrophobicContact CD1-CG 4.05Å; Y328-K332 HydrophobicContact CE1-CD 4.39Å; Y328-K332 HydrophobicContact CE1-CG 3.81Å; Y328-K332 WeakPolarHBondContact O-CB 3.12Å; Y328-K332 WeakPolarHBondContact O-CG 3.41Å; Y328-K332 PolarHBondContact O-N 3.46Å; Y328-K332 WeakPolarHBondContact OH-CE 3.42Å; Y328-K332 PolarHBondContact OH-NZ 2.95Å; A329-K332 PolarHBondContact O-N 3.18Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 2.75Å; K332-I334 HydrophobicContact CB-CD1 4.21Å; K332-I334 HydrophobicContact CB-CG1 4.24Å
333	K	93.9	Very high	89.5	Confident	163 Å²	163	21.7 Å²	21.7	71%	0.709	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	55.5	-174.5	-54.5	-175.9	179	-173.9	0	110.5	A329 I330 L331	A329-K333 PolarHBondContact O-N 3.31Å; A329-K333 VanDerWaalsContact O-N 3.15Å; I330-K333 PolarHBondContact O-N 2.9Å; L331-K333 PolarHBondContact O-N 3.08Å
334	I	95.9	Very high	87.7	Confident	3 Å²	3	22.7 Å²	22.7	2%	0.015	11%	0.113	C	C	.	.			trans	-64.1	136.8	173.2	-64.3	-59.8	0	0	0	108.9	K246 A248 H306 A329 K332 V336 V363	K246-I334 HydrophobicContact CB-CD1 4.08Å; A248-I334 HydrophobicContact CB-CD1 4.29Å; A248-I334 HydrophobicContact CB-CG1 4.15Å; A248-I334 HydrophobicContact CB-CG2 3.64Å; H306-I334 HydrophobicContact CB-CD1 3.97Å; A329-I334 HydrophobicContact CB-CB 4.39Å; A329-I334 HydrophobicContact CB-CG1 3.95Å; A329-I334 WeakPolarHBondContact O-CG1 3.46Å; A329-I334 PolarHBondContact O-N 2.88Å; A329-I334 VanDerWaalsContact O-N 3.12Å; K332-I334 HydrophobicContact CB-CD1 4.21Å; K332-I334 HydrophobicContact CB-CG1 4.24Å; I334-V336 WeakPolarHBondContact CG2-O 3.22Å; I334-V363 HydrophobicContact CG2-CG1 4.4Å; I334-V363 WeakPolarHBondContact O-CG2 3.4Å
335	D	95.6	Very high	85.7	Confident	57 Å²	57	23.4 Å²	23.4	31%	0.305	12%	0.117	S	C	.	.	S	Bend	trans	-86.3	-43.6	-179.6	-56.5	-62.3	0	0	0	111.6	V245 K246 I364	V245-D335 HydrophobicContact CG1-CB 3.88Å; K246-D335 PolarHBondContact N-OD2 3.11Å; K246-D335 PolarHBondContact O-N 2.87Å; K246-D335 VanDerWaalsContact O-N 3.08Å; D335-I364 PolarHBondContact O-N 2.88Å
336	V	97.3	Very high	83.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.8	-176	-175.2	0	0	0	0	109.8	V245 K246 V247 A248 I334 I364 A454 V457	V245-V336 HydrophobicContact CG1-CG2 4.21Å; K246-V336 PolarHBondContact O-N 3.08Å; K246-V336 VanDerWaalsContact O-N 3.11Å; V247-V336 CarbonylContact C-O 3.58Å; V247-V336 VanDerWaalsContact CA-O 3.31Å; V247-V336 WeakPolarHBondContact CA-O 3.31Å; V247-V336 HydrophobicContact CG1-CB 4.31Å; V247-V336 HydrophobicContact CG1-CG1 4.42Å; V247-V336 HydrophobicContact CG2-CB 4.37Å; A248-V336 PolarHBondContact N-O 3.12Å; I334-V336 WeakPolarHBondContact CG2-O 3.22Å; V336-I364 WeakPolarHBondContact CA-O 3.45Å; V336-A454 HydrophobicContact CG1-CB 4.48Å; V336-V457 HydrophobicContact CG1-CG1 4.13Å; V336-V457 HydrophobicContact CG2-CG1 3.82Å
337	L	97.1	Very high	81.5	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.1	175.9	-171	159	0	0	0	109.5	A248 F250 F326 L339 L358 V363 I364 M365 V366	A248-L337 HydrophobicContact CB-CG 4.35Å; F250-L337 HydrophobicContact CD1-CD1 3.89Å; F250-L337 HydrophobicContact CD1-CD2 4.19Å; F250-L337 HydrophobicContact CD1-CG 3.89Å; F250-L337 HydrophobicContact CE1-CD1 3.41Å; F250-L337 VanDerWaalsContact CE1-CD1 3.41Å; F250-L337 HydrophobicContact CE1-CG 3.89Å; F250-L337 HydrophobicContact CE2-CD1 4.16Å; F250-L337 HydrophobicContact CG-CD1 4.45Å; F250-L337 HydrophobicContact CG-CD2 4.32Å; F250-L337 HydrophobicContact CG-CG 4.5Å; F250-L337 HydrophobicContact CZ-CD1 3.57Å; F250-L337 HydrophobicContact CZ-CG 4.46Å; F326-L337 HydrophobicContact CD1-CD1 3.93Å; F326-L337 HydrophobicContact CE1-CD1 3.83Å; F326-L337 HydrophobicContact CE1-CD2 4.42Å; L337-L339 HydrophobicContact CD2-CB 4Å; L337-L358 HydrophobicContact CD1-CD1 4.25Å; L337-L358 HydrophobicContact CD1-CD2 3.81Å; L337-V363 HydrophobicContact CB-CG1 3.86Å; L337-I364 PolarHBondContact N-O 3.15Å; L337-M365 HydrophobicContact CD2-CE 4.37Å; L337-M365 HydrophobicContact CD2-CG 4.3Å; L337-M365 WeakPolarHBondContact O-CA 3.27Å; L337-V366 PolarHBondContact O-N 3.09Å
338	N	96.5	Very high	80.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.9	170.1	178.7	85.7	0	0	0	110.6	A248 F250 V286 I290 S340 S450 P451 A454	A248-N338 PolarHBondContact O-N 2.89Å; F250-N338 PolarHBondContact N-O 2.78Å; V286-N338 WeakPolarHBondContact CG1-ND2 3.23Å; I290-N338 HydrophobicContact CD1-CB 4.01Å; N338-S340 PolarHBondContact ND2-N 3.3Å; N338-S340 PolarHBondContact ND2-OG 2.95Å; N338-S450 PolarHBondContact OD1-OG 3.24Å; N338-P451 WeakPolarHBondContact OD1-CA 2.87Å; N338-A454 HydrophobicContact CB-CB 3.74Å
339	L	90.8	Very high	79.4	Confident	2 Å²	2	31 Å²	31	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	90	171.6	-173.1	68.4	0	0	0	109.3	F250 F322 L337 I341 F351 M365 V366 S367 P382	F250-L339 HydrophobicContact CB-CD1 3.73Å; F322-L339 HydrophobicContact CE1-CD1 3.99Å; L337-L339 HydrophobicContact CD2-CB 4Å; L339-I341 HydrophobicContact CD1-CB 4.09Å; L339-I341 HydrophobicContact CD1-CD1 3.86Å; L339-I341 HydrophobicContact CD1-CG1 3.95Å; L339-I341 HydrophobicContact CG-CB 4.09Å; L339-I341 HydrophobicContact CG-CG1 4.33Å; L339-I341 PolarHBondContact O-N 2.86Å; L339-F351 HydrophobicContact CD2-CZ 3.98Å; L339-M365 HydrophobicContact CB-CE 3.87Å; L339-M365 HydrophobicContact CD2-CE 3.43Å; L339-M365 VanDerWaalsContact CD2-CE 3.43Å; L339-M365 HydrophobicContact CG-CE 4.29Å; L339-V366 PolarHBondContact N-O 3.09Å; L339-S367 WeakPolarHBondContact O-CA 3.4Å; L339-S367 WeakPolarHBondContact O-CB 3.32Å; L339-S367 PolarHBondContact O-OG 2.97Å; L339-P382 HydrophobicContact CD2-CG 3.74Å
340	S	80.9	Confident	79	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.			trans	-77.1	42.3	178.5	-73.7	0	0	0	0	112.7	R163 N338 S447 P451	R163-S340 PolarHBondContact NH2-O 2.83Å; R163-S340 VanDerWaalsContact NH2-O 3.15Å; N338-S340 PolarHBondContact ND2-N 3.3Å; N338-S340 PolarHBondContact ND2-OG 2.95Å; S340-S447 WeakPolarHBondContact CB-O 3.44Å; S340-S447 WeakPolarHBondContact O-CB 3.28Å; S340-S447 PolarHBondContact OG-O 2.84Å; S340-P451 WeakPolarHBondContact OG-CD 3.19Å
341	I	71.6	Confident	78.6	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.051	16%	0.155	C	C	.	.			trans	-140.2	137.3	-170	-45.6	-173	0	0	0	106.7	F311 L339 S367	F311-I341 HydrophobicContact CD2-CD1 3.73Å; F311-I341 HydrophobicContact CE2-CD1 3.01Å; F311-I341 HydrophobicContact CE2-CG1 4.41Å; F311-I341 HydrophobicContact CZ-CD1 3.64Å; F311-I341 HydrophobicContact CZ-CG2 4.14Å; L339-I341 HydrophobicContact CD1-CB 4.09Å; L339-I341 HydrophobicContact CD1-CD1 3.86Å; L339-I341 HydrophobicContact CD1-CG1 3.95Å; L339-I341 HydrophobicContact CG-CB 4.09Å; L339-I341 HydrophobicContact CG-CG1 4.33Å; L339-I341 PolarHBondContact O-N 2.86Å; I341-S367 PolarHBondContact O-OG 2.93Å
342	G	65.8	Low	78.2	Confident	11 Å²	11	28 Å²	28	11%	0.113	14%	0.139	C	C	.	.			trans	-143.2	143.1	168.8	0	0	0	0	0	108	F74 N381	F74-G342 WeakPolarHBondContact CD2-O 3.33Å; G342-N381 VanDerWaalsContact CA-O 3.31Å; G342-N381 WeakPolarHBondContact CA-O 3.34Å
343	G	62.9	Low	78	Confident	5 Å²	5	26 Å²	26	5%	0.052	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-118.9	172.5	163.1	0	0	0	0	0	109.2	F74 N380 N381	F74-G343 VanDerWaalsContact CE2-CA 3.47Å; F74-G343 VanDerWaalsContact CG-CA 3.46Å; G343-N380 WeakPolarHBondContact O-CA 3.31Å; G343-N380 VanDerWaalsContact O-CB 3.26Å; G343-N380 WeakPolarHBondContact O-CB 3.46Å; G343-N381 PolarHBondContact N-O 2.85Å; G343-N381 PolarHBondContact O-N 3.09Å
344	P	51.7	Low	77.8	Confident	25 Å²	25	18.4 Å²	18.4	16%	0.162	10%	0.098	C	C	.	.	S	Bend	trans	-42.8	145.9	163.1	-21.8	20.4	0	0	0	111.3	F74 F346 W685	F74-P344 VanDerWaalsContact CD1-CD 3.48Å; F74-P344 HydrophobicContact CD1-CG 4.37Å; P344-F346 HydrophobicContact CB-CD2 4.06Å; P344-F346 HydrophobicContact CB-CE1 4.11Å; P344-F346 HydrophobicContact CB-CE2 3.41Å; P344-F346 VanDerWaalsContact CB-CE2 3.41Å; P344-F346 HydrophobicContact CB-CZ 3.47Å; P344-F346 VanDerWaalsContact CB-CZ 3.47Å; P344-F346 HydrophobicContact CG-CD2 4.45Å; P344-F346 HydrophobicContact CG-CE2 3.42Å; P344-F346 VanDerWaalsContact CG-CE2 3.42Å; P344-F346 HydrophobicContact CG-CZ 3.48Å; P344-F346 VanDerWaalsContact CG-CZ 3.48Å; P344-F346 WeakPolarHBondContact O-CD2 3.06Å; P344-F346 WeakPolarHBondContact O-CE2 3.43Å; P344-F346 WeakPolarHBondContact O-CG 3.28Å; P344-F346 PolarHBondContact O-N 3.01Å; P344-W685 HydrophobicContact CB-CE3 3.37Å; P344-W685 HydrophobicContact CB-CH2 4.34Å; P344-W685 HydrophobicContact CB-CZ3 3.29Å; P344-W685 HydrophobicContact CG-CD2 4.4Å; P344-W685 HydrophobicContact CG-CE3 3.58Å; P344-W685 HydrophobicContact CG-CH2 4.17Å; P344-W685 HydrophobicContact CG-CZ3 3.51Å
345	D	51.2	Low	77.7	Confident	16 Å²	16	18.2 Å²	18.2	9%	0.086	10%	0.097	C	C	.	.			trans	-47.1	120.5	169.6	-174.2	20.8	0	0	0	106.9	R665 P667	D345-R665 IonicContact OD2-NH2 3.01Å; D345-R665 PolarHBondContact OD2-NH2 3.01Å; D345-P667 HydrophobicContact CB-CG 4.06Å; D345-P667 WeakPolarHBondContact O-CG 3.29Å
346	F	48.5	Very low	77.5	Confident	19 Å²	19	19.1 Å²	19.1	8%	0.083	10%	0.097	C	C	.	.			trans	-130.1	130.2	-178	-77.2	-59.2	0	0	0	108.6	F74 P344 D348 Y670 W685	F74-F346 AromaticContact CD1-CE2 3.69Å; F74-F346 HydrophobicContact CD1-CE2 3.69Å; F74-F346 AromaticContact CE1-CD2 3.74Å; F74-F346 HydrophobicContact CE1-CD2 3.74Å; F74-F346 AromaticContact CE1-CE2 3.26Å; F74-F346 HydrophobicContact CE1-CE2 3.26Å; F74-F346 HydrophobicContact CE1-CZ 4.31Å; F74-F346 HydrophobicContact CZ-CD2 4.36Å; F74-F346 HydrophobicContact CZ-CE2 4.27Å; P344-F346 HydrophobicContact CB-CD2 4.06Å; P344-F346 HydrophobicContact CB-CE1 4.11Å; P344-F346 HydrophobicContact CB-CE2 3.41Å; P344-F346 VanDerWaalsContact CB-CE2 3.41Å; P344-F346 HydrophobicContact CB-CZ 3.47Å; P344-F346 VanDerWaalsContact CB-CZ 3.47Å; P344-F346 HydrophobicContact CG-CD2 4.45Å; P344-F346 HydrophobicContact CG-CE2 3.42Å; P344-F346 VanDerWaalsContact CG-CE2 3.42Å; P344-F346 HydrophobicContact CG-CZ 3.48Å; P344-F346 VanDerWaalsContact CG-CZ 3.48Å; P344-F346 WeakPolarHBondContact O-CD2 3.06Å; P344-F346 WeakPolarHBondContact O-CE2 3.43Å; P344-F346 WeakPolarHBondContact O-CG 3.28Å; P344-F346 PolarHBondContact O-N 3.01Å; F346-D348 PolarHBondContact O-N 2.91Å; F346-Y670 HydrophobicContact CE1-CE1 4.41Å; F346-Y670 WeakPolarHBondContact CE1-OH 3.28Å; F346-W685 AromaticContact CE1-CH2 3.97Å; F346-W685 HydrophobicContact CE1-CH2 3.97Å; F346-W685 AromaticContact CE1-CZ3 3.81Å; F346-W685 HydrophobicContact CE1-CZ3 3.81Å; F346-W685 AromaticContact CZ-CH2 3.86Å; F346-W685 HydrophobicContact CZ-CH2 3.86Å; F346-W685 AromaticContact CZ-CZ3 3.76Å; F346-W685 HydrophobicContact CZ-CZ3 3.76Å
347	M	50.5	Low	77.3	Confident	57 Å²	57	21.3 Å²	21.3	28%	0.281	11%	0.107	S	C	.	.			trans	-48	16.3	161.5	-60.9	-75.1	158.7	0	0	115	H349 P668	M347-H349 PolarHBondContact O-N 3.07Å; M347-P668 HydrophobicContact CE-CB 3.62Å; M347-P668 HydrophobicContact CE-CG 3.66Å; M347-P668 HydrophobicContact CG-CB 4.29Å; M347-P668 HydrophobicContact SD-CB 4.26Å
348	D	67.4	Low	77.2	Confident	16 Å²	16	21.3 Å²	21.3	9%	0.086	11%	0.107	C	C	.	.			trans	-71.7	69.2	163.5	-166.6	-0.4	0	0	0	108.5	T319 F346 P350 F351 V352	T319-D348 WeakPolarHBondContact CB-OD2 3.37Å; T319-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T319-D348 WeakPolarHBondContact CG2-OD2 3.25Å; T319-D348 PolarHBondContact OG1-OD2 3.03Å; F346-D348 PolarHBondContact O-N 2.91Å; D348-P350 WeakPolarHBondContact OD1-CD 3.46Å; D348-P350 WeakPolarHBondContact OD1-CG 3.49Å; D348-F351 HydrophobicContact CB-CB 4.1Å; D348-F351 WeakPolarHBondContact O-CA 3.28Å; D348-F351 WeakPolarHBondContact O-CB 3.32Å; D348-F351 PolarHBondContact O-N 3.45Å; D348-V352 PolarHBondContact O-N 3.46Å; D348-V352 VanDerWaalsContact O-N 3.12Å
349	H	75.8	Confident	77.2	Confident	85 Å²	85	21.3 Å²	21.3	39%	0.394	11%	0.107	S	C	.	.	H	α-helix	trans	-52	-35.5	177.6	-63.8	171.6	0	0	0	112.3	R154 M347 F351 V352 D353	R154-H349 VanDerWaalsContact NH2-CB 3.25Å; R154-H349 PolarHBondContact NH2-O 3.25Å; M347-H349 PolarHBondContact O-N 3.07Å; H349-F351 VanDerWaalsContact C-N 3.31Å; H349-F351 PolarHBondContact O-N 3.12Å; H349-V352 PolarHBondContact O-N 2.88Å; H349-D353 WeakPolarHBondContact O-CB 3.46Å; H349-D353 PolarHBondContact O-N 2.85Å
350	P	84.9	Confident	77.3	Confident	8 Å²	8	22.1 Å²	22.1	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-53.5	-45.7	170.2	-26	29.6	0	0	0	113.5	R154 T156 T319 L323 D348 K354	R154-P350 VanDerWaalsContact NH2-N 3.1Å; T156-P350 HydrophobicContact CG2-CG 3.98Å; T156-P350 WeakPolarHBondContact OG1-CG 3.22Å; T319-P350 HydrophobicContact CG2-CB 4.3Å; L323-P350 HydrophobicContact CD1-CB 3.99Å; L323-P350 HydrophobicContact CD2-CB 4.25Å; L323-P350 WeakPolarHBondContact CD2-O 3.19Å; D348-P350 WeakPolarHBondContact OD1-CD 3.46Å; D348-P350 WeakPolarHBondContact OD1-CG 3.49Å; P350-K354 VanDerWaalsContact O-CB 3.25Å; P350-K354 WeakPolarHBondContact O-CB 3.24Å; P350-K354 PolarHBondContact O-N 3.33Å; P350-K354 VanDerWaalsContact O-N 3.08Å
351	F	85.6	Confident	78	Confident	22 Å²	22	26.1 Å²	26.1	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-48.1	178.6	-179.4	-94.8	0	0	0	111.8	F322 F326 L339 D348 H349 K354 V355 P382	F322-F351 HydrophobicContact CB-CD2 4.02Å; F322-F351 HydrophobicContact CB-CE2 4.08Å; F322-F351 AromaticContact CD1-CE2 3.96Å; F322-F351 HydrophobicContact CD1-CE2 3.96Å; F322-F351 HydrophobicContact CD2-CE2 4.39Å; F322-F351 HydrophobicContact CE1-CE2 4.45Å; F322-F351 HydrophobicContact CG-CD2 4.23Å; F322-F351 AromaticContact CG-CE2 3.91Å; F322-F351 HydrophobicContact CG-CE2 3.91Å; F326-F351 AromaticContact CE2-CD2 3.87Å; F326-F351 HydrophobicContact CE2-CD2 3.87Å; F326-F351 AromaticContact CE2-CE2 3.53Å; F326-F351 HydrophobicContact CE2-CE2 3.53Å; F326-F351 HydrophobicContact CE2-CZ 4.26Å; F326-F351 AromaticContact CZ-CE2 3.84Å; F326-F351 HydrophobicContact CZ-CE2 3.84Å; F326-F351 HydrophobicContact CZ-CZ 4.24Å; L339-F351 HydrophobicContact CD2-CZ 3.98Å; D348-F351 HydrophobicContact CB-CB 4.1Å; D348-F351 WeakPolarHBondContact O-CA 3.28Å; D348-F351 WeakPolarHBondContact O-CB 3.32Å; D348-F351 PolarHBondContact O-N 3.45Å; H349-F351 VanDerWaalsContact C-N 3.31Å; H349-F351 PolarHBondContact O-N 3.12Å; F351-K354 PolarHBondContact O-N 2.92Å; F351-V355 HydrophobicContact CD1-CG2 4.29Å; F351-V355 HydrophobicContact CE1-CG2 3.98Å; F351-V355 HydrophobicContact CZ-CG2 4.26Å; F351-V355 WeakPolarHBondContact O-CG2 3.44Å; F351-V355 PolarHBondContact O-N 2.88Å; F351-P382 HydrophobicContact CE1-CB 4.03Å; F351-P382 HydrophobicContact CE1-CG 3.98Å; F351-P382 HydrophobicContact CZ-CG 4.18Å
352	V	85.6	Confident	79	Confident	14 Å²	14	29.2 Å²	29.2	9%	0.085	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-44.8	-179.4	179	0	0	0	0	112	D348 H349 K354 V355 W356	D348-V352 PolarHBondContact O-N 3.46Å; D348-V352 VanDerWaalsContact O-N 3.12Å; H349-V352 PolarHBondContact O-N 2.88Å; V352-K354 PolarHBondContact O-N 2.95Å; V352-V355 WeakPolarHBondContact O-CB 3.44Å; V352-V355 PolarHBondContact O-N 2.89Å; V352-V355 VanDerWaalsContact O-N 3.09Å; V352-W356 HydrophobicContact CG1-CD2 4.22Å; V352-W356 HydrophobicContact CG1-CH2 4.11Å; V352-W356 HydrophobicContact CG1-CZ2 3.59Å; V352-W356 PolarHBondContact O-N 3.39Å
353	D	88.1	Confident	80.4	Confident	32 Å²	32	28.8 Å²	28.8	17%	0.171	14%	0.143	C	C	.	.	H	α-helix	trans	-56.3	-41.3	174.5	-75.9	-11.5	0	0	0	110.4	K153 R154 H349 W356 E357	K153-D353 IonicContact NZ-OD2 2.67Å; K153-D353 PolarHBondContact NZ-OD2 2.99Å; R154-D353 IonicContact CZ-OD2 2.7Å; R154-D353 IonicContact NH1-OD2 3.41Å; R154-D353 PolarHBondContact NH1-OD2 2.86Å; R154-D353 IonicContact NH2-OD2 3.13Å; R154-D353 PolarHBondContact NH2-OD2 2.87Å; H349-D353 WeakPolarHBondContact O-CB 3.46Å; H349-D353 PolarHBondContact O-N 2.85Å; D353-W356 PolarHBondContact O-N 3.33Å; D353-E357 PolarHBondContact O-N 3.26Å
354	K	91.2	Very high	82.1	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-70	-33.5	178.6	-169	59	56.5	178	0	112.6	D129 L323 F326 N327 P350 F351 V352 E357 L358	D129-K354 IonicContact OD1-NZ 3.65Å; D129-K354 PolarHBondContact OD1-NZ 2.93Å; D129-K354 IonicContact OD2-NZ 2.86Å; D129-K354 PolarHBondContact OD2-NZ 3.47Å; L323-K354 HydrophobicContact CD2-CB 3.63Å; L323-K354 HydrophobicContact CD2-CG 3.9Å; F326-K354 HydrophobicContact CB-CD 3.99Å; F326-K354 HydrophobicContact CB-CG 3.52Å; F326-K354 HydrophobicContact CD2-CB 4.2Å; F326-K354 HydrophobicContact CD2-CG 3.5Å; F326-K354 HydrophobicContact CG-CG 3.89Å; N327-K354 PolarHBondContact OD1-NZ 3.15Å; P350-K354 VanDerWaalsContact O-CB 3.25Å; P350-K354 WeakPolarHBondContact O-CB 3.24Å; P350-K354 PolarHBondContact O-N 3.33Å; P350-K354 VanDerWaalsContact O-N 3.08Å; F351-K354 PolarHBondContact O-N 2.92Å; V352-K354 PolarHBondContact O-N 2.95Å; K354-E357 WeakPolarHBondContact CE-OE2 3.39Å; K354-E357 IonicContact NZ-OE2 2.75Å; K354-E357 PolarHBondContact NZ-OE2 3.05Å; K354-E357 PolarHBondContact O-N 3.41Å; K354-L358 WeakPolarHBondContact O-CB 3.03Å; K354-L358 PolarHBondContact O-N 2.9Å
355	V	91.9	Very high	84.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-43.1	171.6	167.7	0	0	0	0	110.8	F326 F351 V352 L358 T359 M365 P382 V388	F326-V355 HydrophobicContact CE2-CG2 4.48Å; F326-V355 HydrophobicContact CZ-CG2 4.49Å; F351-V355 HydrophobicContact CD1-CG2 4.29Å; F351-V355 HydrophobicContact CE1-CG2 3.98Å; F351-V355 HydrophobicContact CZ-CG2 4.26Å; F351-V355 WeakPolarHBondContact O-CG2 3.44Å; F351-V355 PolarHBondContact O-N 2.88Å; V352-V355 WeakPolarHBondContact O-CB 3.44Å; V352-V355 PolarHBondContact O-N 2.89Å; V352-V355 VanDerWaalsContact O-N 3.09Å; V355-L358 PolarHBondContact O-N 2.99Å; V355-T359 WeakPolarHBondContact O-CG2 3.23Å; V355-T359 PolarHBondContact O-N 3.48Å; V355-T359 PolarHBondContact O-OG1 3.18Å; V355-T359 VanDerWaalsContact O-OG1 3.14Å; V355-M365 HydrophobicContact CB-SD 4.5Å; V355-M365 HydrophobicContact CG1-SD 3.8Å; V355-M365 HydrophobicContact CG2-CE 4.17Å; V355-M365 HydrophobicContact CG2-SD 4.11Å; V355-P382 HydrophobicContact CG1-CB 4.48Å; V355-P382 HydrophobicContact CG2-CB 4.24Å; V355-V388 HydrophobicContact CG1-CG2 3.62Å
356	W	92.6	Very high	86.4	Confident	76 Å²	76	26.9 Å²	26.9	29%	0.288	13%	0.13	S	C	.	.	H	α-helix	trans	-64	-42.9	175	-62.7	-22.2	0	0	0	111.9	V352 D353 T359 A360 Q385 W589 P590	V352-W356 HydrophobicContact CG1-CD2 4.22Å; V352-W356 HydrophobicContact CG1-CH2 4.11Å; V352-W356 HydrophobicContact CG1-CZ2 3.59Å; V352-W356 PolarHBondContact O-N 3.39Å; D353-W356 PolarHBondContact O-N 3.33Å; W356-T359 PolarHBondContact O-N 2.73Å; W356-T359 PolarHBondContact O-OG1 2.77Å; W356-A360 VanDerWaalsContact O-CB 3.29Å; W356-A360 WeakPolarHBondContact O-CB 3.4Å; W356-A360 PolarHBondContact O-N 2.94Å; W356-Q385 VanDerWaalsContact NE1-OE1 3.07Å; W356-W589 HydrophobicContact CB-CH2 3.81Å; W356-W589 HydrophobicContact CB-CZ3 4.02Å; W356-W589 HydrophobicContact CD2-CZ3 4.17Å; W356-W589 HydrophobicContact CE3-CH2 4.22Å; W356-W589 AromaticContact CE3-CZ3 3.72Å; W356-W589 HydrophobicContact CE3-CZ3 3.72Å; W356-W589 HydrophobicContact CG-CZ3 4.35Å; W356-P590 HydrophobicContact CB-CG 3.84Å; W356-P590 HydrophobicContact CG-CG 4.48Å; W356-P590 WeakPolarHBondContact O-CG 3.5Å
357	E	93.6	Very high	88.6	Confident	46 Å²	46	26 Å²	26	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-42	175.7	-178.3	175.8	-163.1	0	0	113	Y90 I330 D353 K354 T359 A360 N361	Y90-E357 WeakPolarHBondContact CE2-OE1 3.41Å; Y90-E357 PolarHBondContact OH-OE1 2.97Å; I330-E357 HydrophobicContact CD1-CG 4.21Å; D353-E357 PolarHBondContact O-N 3.26Å; K354-E357 WeakPolarHBondContact CE-OE2 3.39Å; K354-E357 IonicContact NZ-OE2 2.75Å; K354-E357 PolarHBondContact NZ-OE2 3.05Å; K354-E357 PolarHBondContact O-N 3.41Å; E357-T359 PolarHBondContact O-N 3.13Å; E357-A360 WeakPolarHBondContact O-CB 3.09Å; E357-A360 PolarHBondContact O-N 3.35Å; E357-N361 PolarHBondContact O-N 2.98Å; E357-N361 PolarHBondContact O-ND2 2.77Å
358	L	94.5	Very high	90.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-49.2	176.6	-179.5	87	0	0	0	110.4	F326 A329 I330 L337 K354 V355 N361 V363 M365	F326-L358 HydrophobicContact CB-CD1 4.36Å; F326-L358 HydrophobicContact CD1-CD1 4.04Å; F326-L358 HydrophobicContact CD1-CD2 4.07Å; F326-L358 HydrophobicContact CE1-CD2 4.17Å; A329-L358 HydrophobicContact CB-CD1 4.27Å; I330-L358 HydrophobicContact CD1-CD1 4.41Å; I330-L358 HydrophobicContact CG1-CD1 3.87Å; L337-L358 HydrophobicContact CD1-CD1 4.25Å; L337-L358 HydrophobicContact CD1-CD2 3.81Å; K354-L358 WeakPolarHBondContact O-CB 3.03Å; K354-L358 PolarHBondContact O-N 2.9Å; V355-L358 PolarHBondContact O-N 2.99Å; L358-N361 PolarHBondContact O-N 2.95Å; L358-V363 HydrophobicContact CD1-CB 4.2Å; L358-V363 HydrophobicContact CD1-CG1 4.23Å; L358-V363 HydrophobicContact CD1-CG2 3.93Å; L358-V363 HydrophobicContact CD2-CB 4.42Å; L358-V363 HydrophobicContact CD2-CG1 4.21Å; L358-V363 HydrophobicContact CG-CB 3.87Å; L358-V363 HydrophobicContact CG-CG1 4.09Å; L358-V363 HydrophobicContact CG-CG2 4.06Å; L358-V363 WeakPolarHBondContact O-CB 3.41Å; L358-V363 WeakPolarHBondContact O-CG2 3.36Å; L358-V363 PolarHBondContact O-N 3.09Å; L358-M365 HydrophobicContact CD2-CB 4.48Å; L358-M365 HydrophobicContact CD2-SD 3.94Å
359	T	95.3	Very high	91.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-37.4	177.2	57.2	0	0	0	0	111.7	V355 W356 E357 N361 K362 M365 D387 W591	V355-T359 WeakPolarHBondContact O-CG2 3.23Å; V355-T359 PolarHBondContact O-N 3.48Å; V355-T359 PolarHBondContact O-OG1 3.18Å; V355-T359 VanDerWaalsContact O-OG1 3.14Å; W356-T359 PolarHBondContact O-N 2.73Å; W356-T359 PolarHBondContact O-OG1 2.77Å; E357-T359 PolarHBondContact O-N 3.13Å; T359-N361 PolarHBondContact O-N 3.34Å; T359-K362 WeakPolarHBondContact O-CA 3.38Å; T359-K362 PolarHBondContact O-N 3.15Å; T359-M365 HydrophobicContact CG2-CB 4.23Å; T359-D387 HydrophobicContact CG2-CB 4.3Å; T359-W591 PolarHBondContact O-NE1 2.94Å
360	A	94.6	Very high	92.4	Very high	19 Å²	19	18.7 Å²	18.7	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-58.1	-32.4	173.6	0	0	0	0	0	112.5	W356 E357 K362 V557 P590	W356-A360 VanDerWaalsContact O-CB 3.29Å; W356-A360 WeakPolarHBondContact O-CB 3.4Å; W356-A360 PolarHBondContact O-N 2.94Å; E357-A360 WeakPolarHBondContact O-CB 3.09Å; E357-A360 PolarHBondContact O-N 3.35Å; A360-K362 PolarHBondContact O-N 3.22Å; A360-V557 HydrophobicContact CB-CG1 3.74Å; A360-P590 HydrophobicContact CB-CB 3.97Å; A360-P590 HydrophobicContact CB-CG 4.34Å
361	N	94.2	Very high	92.6	Very high	83 Å²	83	19.1 Å²	19.1	44%	0.444	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	24	172.5	-75.4	-82.3	0	0	0	113.8	I330 E357 L358 T359 V363	I330-N361 HydrophobicContact CG1-CB 4.26Å; I330-N361 HydrophobicContact CG2-CB 3.94Å; E357-N361 PolarHBondContact O-N 2.98Å; E357-N361 PolarHBondContact O-ND2 2.77Å; L358-N361 PolarHBondContact O-N 2.95Å; T359-N361 PolarHBondContact O-N 3.34Å; N361-V363 PolarHBondContact O-N 3.08Å
362	K	93.4	Very high	92.6	Very high	76 Å²	76	22 Å²	22	33%	0.33	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	12.8	175.7	-56.6	-178	176.5	-172	0	115.8	T359 A360 I364 W591 E625	T359-K362 WeakPolarHBondContact O-CA 3.38Å; T359-K362 PolarHBondContact O-N 3.15Å; A360-K362 PolarHBondContact O-N 3.22Å; K362-I364 PolarHBondContact O-N 2.92Å; K362-W591 HydrophobicContact CG-CH2 4.34Å; K362-W591 HydrophobicContact CG-CZ2 4.01Å; K362-E625 WeakPolarHBondContact CE-OE1 3.18Å; K362-E625 WeakPolarHBondContact CE-OE2 3.38Å; K362-E625 IonicContact NZ-OE1 3.28Å; K362-E625 PolarHBondContact NZ-OE1 3.01Å; K362-E625 IonicContact NZ-OE2 3.41Å; K362-E625 PolarHBondContact NZ-OE2 2.65Å
363	V	95.8	Very high	92.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.114	C	C	.	.			trans	-76.6	123.3	175.2	-173	0	0	0	0	109.9	I334 L337 L358 N361 M365 P472	I334-V363 HydrophobicContact CG2-CG1 4.4Å; I334-V363 WeakPolarHBondContact O-CG2 3.4Å; L337-V363 HydrophobicContact CB-CG1 3.86Å; L358-V363 HydrophobicContact CD1-CB 4.2Å; L358-V363 HydrophobicContact CD1-CG1 4.23Å; L358-V363 HydrophobicContact CD1-CG2 3.93Å; L358-V363 HydrophobicContact CD2-CB 4.42Å; L358-V363 HydrophobicContact CD2-CG1 4.21Å; L358-V363 HydrophobicContact CG-CB 3.87Å; L358-V363 HydrophobicContact CG-CG1 4.09Å; L358-V363 HydrophobicContact CG-CG2 4.06Å; L358-V363 WeakPolarHBondContact O-CB 3.41Å; L358-V363 WeakPolarHBondContact O-CG2 3.36Å; L358-V363 PolarHBondContact O-N 3.09Å; N361-V363 PolarHBondContact O-N 3.08Å; V363-M365 PolarHBondContact O-N 3.2Å; V363-P472 WeakPolarHBondContact O-CG 3.45Å
364	I	97.1	Very high	92.6	Very high	5 Å²	5	24 Å²	24	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.3	177.4	-56.4	168.5	0	0	0	109.1	D335 V336 L337 K362 I389 V457 V470 P472 M475	D335-I364 PolarHBondContact O-N 2.88Å; V336-I364 WeakPolarHBondContact CA-O 3.45Å; L337-I364 PolarHBondContact N-O 3.15Å; K362-I364 PolarHBondContact O-N 2.92Å; I364-I389 HydrophobicContact CG2-CD1 3.64Å; I364-V457 HydrophobicContact CB-CG1 4.46Å; I364-V457 HydrophobicContact CD1-CG1 4.17Å; I364-V457 HydrophobicContact CG2-CG1 3.93Å; I364-V470 HydrophobicContact CD1-CG1 3.79Å; I364-P472 HydrophobicContact CG1-CG 4.36Å; I364-M475 HydrophobicContact CD1-CB 3.87Å; I364-M475 HydrophobicContact CD1-CE 4.25Å; I364-M475 HydrophobicContact CD1-CG 4.11Å; I364-M475 HydrophobicContact CG2-CB 4.47Å; I364-M475 HydrophobicContact CG2-CG 4.29Å
365	M	96.6	Very high	92.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.3	-179.9	-169.8	170.4	-179	0	0	111.7	F326 L337 L339 V355 L358 T359 V363 P382 V388 I389	F326-M365 HydrophobicContact CZ-CE 4.46Å; L337-M365 HydrophobicContact CD2-CE 4.37Å; L337-M365 HydrophobicContact CD2-CG 4.3Å; L337-M365 WeakPolarHBondContact O-CA 3.27Å; L339-M365 HydrophobicContact CB-CE 3.87Å; L339-M365 HydrophobicContact CD2-CE 3.43Å; L339-M365 VanDerWaalsContact CD2-CE 3.43Å; L339-M365 HydrophobicContact CG-CE 4.29Å; V355-M365 HydrophobicContact CB-SD 4.5Å; V355-M365 HydrophobicContact CG1-SD 3.8Å; V355-M365 HydrophobicContact CG2-CE 4.17Å; V355-M365 HydrophobicContact CG2-SD 4.11Å; L358-M365 HydrophobicContact CD2-CB 4.48Å; L358-M365 HydrophobicContact CD2-SD 3.94Å; T359-M365 HydrophobicContact CG2-CB 4.23Å; V363-M365 PolarHBondContact O-N 3.2Å; M365-P382 HydrophobicContact CE-CB 4.37Å; M365-P382 HydrophobicContact CE-CG 3.55Å; M365-V388 HydrophobicContact CB-CG1 4.46Å; M365-V388 HydrophobicContact CB-CG2 4.32Å; M365-V388 HydrophobicContact CG-CG1 4.13Å; M365-V388 HydrophobicContact CG-CG2 4.25Å; M365-V388 HydrophobicContact SD-CG2 3.92Å; M365-I389 PolarHBondContact O-N 3.46Å
366	V	97.6	Very high	92.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	175.6	-173.5	0	0	0	0	108.9	L337 L339 I389 V391 V453 A454	L337-V366 PolarHBondContact O-N 3.09Å; L339-V366 PolarHBondContact N-O 3.09Å; V366-I389 HydrophobicContact CG2-CB 4.33Å; V366-I389 HydrophobicContact CG2-CD1 4.26Å; V366-V391 HydrophobicContact CG1-CG2 3.74Å; V366-V453 HydrophobicContact CG1-CB 3.97Å; V366-V453 HydrophobicContact CG1-CG1 3.94Å; V366-A454 HydrophobicContact CB-CB 4.2Å; V366-A454 HydrophobicContact CG1-CB 4.4Å; V366-A454 HydrophobicContact CG2-CB 4.3Å
367	S	94.9	Very high	91.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.1	-177.6	-170.7	0	0	0	0	113	L339 I341 I389 V391	L339-S367 WeakPolarHBondContact O-CA 3.4Å; L339-S367 WeakPolarHBondContact O-CB 3.32Å; L339-S367 PolarHBondContact O-OG 2.97Å; I341-S367 PolarHBondContact O-OG 2.93Å; S367-I389 PolarHBondContact N-O 2.87Å; S367-V391 PolarHBondContact O-N 2.86Å
368	A	92.9	Very high	91.5	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.025	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.8	-178.7	0	0	0	0	0	111.4	G370 A383 T446	A368-G370 VanDerWaalsContact C-N 3.25Å; A368-G370 PolarHBondContact O-N 2.96Å; A368-A383 VanDerWaalsContact C-CB 3.5Å; A368-A383 WeakPolarHBondContact O-CB 3.47Å; A368-T446 VanDerWaalsContact CB-C 3.42Å; A368-T446 WeakPolarHBondContact CB-O 3.39Å
369	I	91	Very high	91.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.			trans	-70.4	-15.5	-174.2	-158.8	63.9	0	0	0	115	L379 N380 A383 V391 S405 K421 P422 T446	I369-L379 HydrophobicContact CD1-CB 4.45Å; I369-L379 HydrophobicContact CD1-CD2 3.95Å; I369-L379 HydrophobicContact CG1-CD2 3.61Å; I369-N380 PolarHBondContact O-N 2.85Å; I369-A383 HydrophobicContact CD1-CB 3.96Å; I369-V391 WeakPolarHBondContact CG2-O 3.36Å; I369-V391 PolarHBondContact N-O 2.79Å; I369-S405 WeakPolarHBondContact O-CB 3.36Å; I369-K421 HydrophobicContact CD1-CB 4.28Å; I369-P422 HydrophobicContact CB-CB 4.28Å; I369-P422 HydrophobicContact CD1-CB 4.25Å; I369-P422 HydrophobicContact CG1-CB 4Å; I369-T446 HydrophobicContact CG2-CG2 4.02Å
370	G	89.4	Confident	90.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	12%	0.124	C	C	.	.			trans	120.8	163.8	-176.8	0	0	0	0	0	113.5	A368 N380 S405 T446	A368-G370 VanDerWaalsContact C-N 3.25Å; A368-G370 PolarHBondContact O-N 2.96Å; G370-N380 WeakPolarHBondContact CA-ND2 3.34Å; G370-S405 VanDerWaalsContact CA-OG 3.32Å; G370-S405 WeakPolarHBondContact CA-OG 3.28Å; G370-S405 PolarHBondContact O-N 2.71Å; G370-S405 PolarHBondContact O-OG 2.98Å; G370-T446 VanDerWaalsContact C-OG1 3.27Å; G370-T446 PolarHBondContact N-OG1 3.4Å; G370-T446 WeakPolarHBondContact O-CG2 3.39Å; G370-T446 PolarHBondContact O-OG1 2.87Å
371	N	89.1	Confident	90	Very high	17 Å²	17	21.2 Å²	21.2	9%	0.091	12%	0.119	C	C	.	.	S	Bend	trans	-118.5	19.1	-177.4	-79.2	-11.3	0	0	0	112.6	L70 L72 F403 S405 T446	L70-N371 PolarHBondContact O-ND2 2.8Å; L70-N371 VanDerWaalsContact O-ND2 3.13Å; L72-N371 WeakPolarHBondContact CD1-ND2 3.03Å; N371-F403 CarbonylContact C-O 3.57Å; N371-F403 WeakPolarHBondContact CA-O 3.36Å; N371-F403 VanDerWaalsContact O-O 3.13Å; N371-F403 WeakPolarHBondContact OD1-CD2 3.11Å; N371-S405 PolarHBondContact N-OG 3.31Å; N371-T446 PolarHBondContact OD1-N 3.07Å; N371-T446 PolarHBondContact OD1-OG1 3.32Å
372	D	84.3	Confident	89.7	Confident	81 Å²	81	17.4 Å²	17.4	43%	0.433	10%	0.099	S	C	.	.			trans	-98.4	10.2	-169.4	-55.4	-61.9	0	0	0	112.3	T378 N380 F403 S405	D372-T378 HydrophobicContact CB-CG2 4.34Å; D372-T378 WeakPolarHBondContact O-CG2 3.37Å; D372-N380 PolarHBondContact OD2-ND2 2.83Å; D372-F403 PolarHBondContact N-O 2.89Å; D372-S405 PolarHBondContact N-OG 3.4Å; D372-S405 VanDerWaalsContact N-OG 3.11Å
373	G	86.7	Confident	89.6	Confident	16 Å²	16	13.8 Å²	13.8	17%	0.165	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	164.3	170.5	0	0	0	0	0	113.1	R402 F403	G373-R402 CarbonylContact C-O 3.57Å; G373-F403 PolarHBondContact N-O 2.83Å
374	P	88.9	Confident	89.2	Confident	72 Å²	72	13.7 Å²	13.7	47%	0.468	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.1	6.6	17	37.2	-37	0	0	0	115	R402 R406	P374-R402 WeakPolarHBondContact CA-O 3.39Å; P374-R402 HydrophobicContact CB-CG 4.23Å; P374-R402 HydrophobicContact CG-CG 4.12Å; P374-R406 VanDerWaalsContact O-CD 3.29Å; P374-R406 WeakPolarHBondContact O-CD 3.49Å
375	L	86.7	Confident	88.9	Confident	38 Å²	38	14.4 Å²	14.4	20%	0.199	9%	0.086	C	C	.	.	S	Bend	trans	-66	149.4	178	-170	67.4	0	0	0	110.9	T378 N686 D885	L375-T378 HydrophobicContact CB-CG2 3.92Å; L375-T378 HydrophobicContact CG-CG2 4.44Å; L375-T378 VanDerWaalsContact O-CG2 3.27Å; L375-T378 WeakPolarHBondContact O-CG2 3.4Å; L375-T378 PolarHBondContact O-OG1 2.96Å; L375-N686 HydrophobicContact CD2-CB 4.34Å; L375-N686 WeakPolarHBondContact CD2-ND2 3.34Å; L375-D885 HydrophobicContact CD1-CB 3.92Å
376	Y	88.1	Confident	88.7	Confident	4 Å²	4	14.7 Å²	14.7	2%	0.016	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-87.3	146.7	177.9	-80.5	-125	0	0	0	109.9	R406 N490 E493 W531 R695	Y376-R406 WeakPolarHBondContact CA-O 3.39Å; Y376-R406 HydrophobicContact CD2-CG 3.8Å; Y376-R406 VanDerWaalsContact CE2-CD 3.43Å; Y376-R406 HydrophobicContact CE2-CG 3.85Å; Y376-R406 HydrophobicContact CG-CG 4.24Å; Y376-N490 PolarHBondContact OH-ND2 3.31Å; Y376-E493 HydrophobicContact CE1-CG 4.48Å; Y376-E493 WeakPolarHBondContact OH-CG 3.3Å; Y376-E493 PolarHBondContact OH-OE1 2.99Å; Y376-W531 HydrophobicContact CD1-CH2 4.2Å; Y376-W531 AromaticContact CD1-CZ3 3.83Å; Y376-W531 HydrophobicContact CD1-CZ3 3.83Å; Y376-W531 HydrophobicContact CE1-CE3 4.14Å; Y376-W531 HydrophobicContact CE1-CH2 4.09Å; Y376-W531 AromaticContact CE1-CZ3 3.48Å; Y376-W531 HydrophobicContact CE1-CZ3 3.48Å; Y376-W531 VanDerWaalsContact CE1-CZ3 3.48Å; Y376-R695 VanDerWaalsContact CE2-CZ 3.45Å; Y376-R695 PolarHBondContact OH-NH2 2.93Å
377	G	84.8	Confident	88.5	Confident	4 Å²	4	15.2 Å²	15.2	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	91.3	17.7	-175.7	0	0	0	0	0	113.3	R406	G377-R406 PolarHBondContact N-O 2.92Å
378	T	85.8	Confident	88.5	Confident	8 Å²	8	15.2 Å²	15.2	5%	0.049	9%	0.09	C	C	.	.			trans	-104.2	19.4	-169.5	52.5	0	0	0	0	113.9	D372 L375 S405 R406	D372-T378 HydrophobicContact CB-CG2 4.34Å; D372-T378 WeakPolarHBondContact O-CG2 3.37Å; L375-T378 HydrophobicContact CB-CG2 3.92Å; L375-T378 HydrophobicContact CG-CG2 4.44Å; L375-T378 VanDerWaalsContact O-CG2 3.27Å; L375-T378 WeakPolarHBondContact O-CG2 3.4Å; L375-T378 PolarHBondContact O-OG1 2.96Å; T378-S405 WeakPolarHBondContact O-CB 3.16Å; T378-S405 PolarHBondContact O-OG 2.86Å; T378-S405 WeakPolarHBondContact OG1-CA 3.33Å; T378-R406 PolarHBondContact N-O 3.25Å; T378-R406 PolarHBondContact OG1-N 3.24Å; T378-R406 PolarHBondContact OG1-O 3.22Å
379	L	86.2	Confident	88.7	Confident	6 Å²	6	15.2 Å²	15.2	3%	0.031	9%	0.09	C	C	.	.			trans	-72	139.4	-176.4	-52.3	-177.7	0	0	0	111.2	I369 D384 G407 M408 T409 K421	I369-L379 HydrophobicContact CD1-CB 4.45Å; I369-L379 HydrophobicContact CD1-CD2 3.95Å; I369-L379 HydrophobicContact CG1-CD2 3.61Å; L379-D384 HydrophobicContact CB-CB 4.4Å; L379-G407 WeakPolarHBondContact CD1-O 3.02Å; L379-M408 WeakPolarHBondContact CD1-O 3.46Å; L379-T409 HydrophobicContact CD1-CG2 4.37Å; L379-K421 HydrophobicContact CD1-CB 3.58Å; L379-K421 HydrophobicContact CD1-CG 4.41Å
380	N	83.1	Confident	89	Confident	17 Å²	17	15.2 Å²	15.2	9%	0.091	9%	0.09	C	C	.	.			trans	-107.7	147.2	-178.9	-70.2	-15.3	0	0	0	112.9	G343 I369 G370 D372 A383 D384	G343-N380 WeakPolarHBondContact O-CA 3.31Å; G343-N380 VanDerWaalsContact O-CB 3.26Å; G343-N380 WeakPolarHBondContact O-CB 3.46Å; I369-N380 PolarHBondContact O-N 2.85Å; G370-N380 WeakPolarHBondContact CA-ND2 3.34Å; D372-N380 PolarHBondContact OD2-ND2 2.83Å; N380-A383 PolarHBondContact O-N 2.78Å; N380-D384 PolarHBondContact O-N 2.91Å
381	N	82.7	Confident	89.4	Confident	10 Å²	10	15 Å²	15	5%	0.053	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-81.2	142.1	174.3	-174.9	-85.8	0	0	0	110.9	G342 G343 D384 Q385	G342-N381 VanDerWaalsContact CA-O 3.31Å; G342-N381 WeakPolarHBondContact CA-O 3.34Å; G343-N381 PolarHBondContact N-O 2.85Å; G343-N381 PolarHBondContact O-N 3.09Å; N381-D384 WeakPolarHBondContact CA-OD1 3.34Å; N381-D384 PolarHBondContact ND2-OD1 2.81Å; N381-Q385 PolarHBondContact ND2-NE2 2.71Å; N381-Q385 VanDerWaalsContact ND2-NE2 3.18Å
382	P	88.8	Confident	89.7	Confident	3 Å²	3	14.2 Å²	14.2	2%	0.019	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.2	7.2	5.4	36.8	-35.2	0	0	0	115.1	L339 F351 V355 M365 D384 Q385 V388	L339-P382 HydrophobicContact CD2-CG 3.74Å; F351-P382 HydrophobicContact CE1-CB 4.03Å; F351-P382 HydrophobicContact CE1-CG 3.98Å; F351-P382 HydrophobicContact CZ-CG 4.18Å; V355-P382 HydrophobicContact CG1-CB 4.48Å; V355-P382 HydrophobicContact CG2-CB 4.24Å; M365-P382 HydrophobicContact CE-CB 4.37Å; M365-P382 HydrophobicContact CE-CG 3.55Å; P382-D384 PolarHBondContact O-N 2.98Å; P382-D384 VanDerWaalsContact O-N 3.15Å; P382-Q385 HydrophobicContact CB-CG 4.26Å; P382-Q385 WeakPolarHBondContact O-CB 3.36Å; P382-Q385 WeakPolarHBondContact O-CG 3.47Å; P382-Q385 PolarHBondContact O-N 2.81Å; P382-V388 WeakPolarHBondContact O-CB 3.49Å
383	A	90.9	Very high	90.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.8	-179.7	0	0	0	0	0	113	A368 I369 N380 G390 K421	A368-A383 VanDerWaalsContact C-CB 3.5Å; A368-A383 WeakPolarHBondContact O-CB 3.47Å; I369-A383 HydrophobicContact CD1-CB 3.96Å; N380-A383 PolarHBondContact O-N 2.78Å; A383-G390 WeakPolarHBondContact O-CA 3.42Å; A383-K421 WeakPolarHBondContact O-CE 3.42Å; A383-K421 PolarHBondContact O-NZ 3.48Å
384	D	88.7	Confident	90.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26	175.4	73.6	-6.4	0	0	0	113	L379 N380 N381 P382 M386 W411 K421	L379-D384 HydrophobicContact CB-CB 4.4Å; N380-D384 PolarHBondContact O-N 2.91Å; N381-D384 WeakPolarHBondContact CA-OD1 3.34Å; N381-D384 PolarHBondContact ND2-OD1 2.81Å; P382-D384 PolarHBondContact O-N 2.98Å; P382-D384 VanDerWaalsContact O-N 3.15Å; D384-M386 VanDerWaalsContact O-CE 3.3Å; D384-M386 WeakPolarHBondContact O-CE 3.46Å; D384-W411 VanDerWaalsContact C-CH2 3.42Å; D384-W411 HydrophobicContact CB-CH2 3.33Å; D384-W411 HydrophobicContact CB-CZ3 3.3Å; D384-W411 VanDerWaalsContact CG-CH2 3.45Å; D384-W411 WeakPolarHBondContact O-CH2 3.38Å; D384-W411 WeakPolarHBondContact OD2-CZ3 2.9Å; D384-K421 VanDerWaalsContact O-CE 3.22Å; D384-K421 WeakPolarHBondContact O-CE 3.48Å
385	Q	90.6	Very high	90.9	Very high	20 Å²	20	7.1 Å²	7.1	9%	0.093	4%	0.038	C	C	.	.	S	Bend	trans	-61.4	142.4	179.6	-62	-58.6	-58.1	0	0	112.5	W356 N381 P382 D387 V388 K421	W356-Q385 VanDerWaalsContact NE1-OE1 3.07Å; N381-Q385 PolarHBondContact ND2-NE2 2.71Å; N381-Q385 VanDerWaalsContact ND2-NE2 3.18Å; P382-Q385 HydrophobicContact CB-CG 4.26Å; P382-Q385 WeakPolarHBondContact O-CB 3.36Å; P382-Q385 WeakPolarHBondContact O-CG 3.47Å; P382-Q385 PolarHBondContact O-N 2.81Å; Q385-D387 VanDerWaalsContact C-N 3.35Å; Q385-D387 PolarHBondContact O-N 3.42Å; Q385-V388 HydrophobicContact CB-CB 4.2Å; Q385-V388 HydrophobicContact CB-CG2 3.87Å; Q385-V388 PolarHBondContact O-N 2.84Å; Q385-K421 WeakPolarHBondContact O-CE 3.47Å; Q385-K421 PolarHBondContact O-NZ 2.84Å
386	M	91.6	Very high	91	Very high	7 Å²	7	9.5 Å²	9.5	3%	0.034	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.7	-175	-70.3	-52.8	119.9	0	0	114	D384 V388 T409 W411 R419 K421 K476 T550 S592	D384-M386 VanDerWaalsContact O-CE 3.3Å; D384-M386 WeakPolarHBondContact O-CE 3.46Å; M386-V388 VanDerWaalsContact C-N 3.34Å; M386-T409 HydrophobicContact CE-CG2 3.58Å; M386-W411 HydrophobicContact CE-CH2 4.48Å; M386-W411 HydrophobicContact CE-CZ2 4Å; M386-R419 HydrophobicContact CE-CB 3.9Å; M386-R419 HydrophobicContact SD-CB 4.28Å; M386-K421 HydrophobicContact CE-CG 4.19Å; M386-K476 PolarHBondContact O-NZ 2.88Å; M386-T550 HydrophobicContact CB-CG2 4.15Å; M386-T550 HydrophobicContact CG-CG2 4.05Å; M386-T550 HydrophobicContact SD-CG2 3.97Å; M386-T550 PolarHBondContact SD-OG1 2.78Å; M386-S592 WeakPolarHBondContact CB-OG 3.47Å
387	D	93.6	Very high	91.1	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.053	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7	178	-53.1	-75.2	0	0	0	113.1	T359 Q385 W591 S592	T359-D387 HydrophobicContact CG2-CB 4.3Å; Q385-D387 VanDerWaalsContact C-N 3.35Å; Q385-D387 PolarHBondContact O-N 3.42Å; D387-W591 WeakPolarHBondContact OD1-CA 3.37Å; D387-W591 WeakPolarHBondContact OD1-CB 3.45Å; D387-W591 PolarHBondContact OD1-N 2.79Å; D387-S592 VanDerWaalsContact CG-OG 3.29Å; D387-S592 WeakPolarHBondContact OD1-CB 3.34Å; D387-S592 PolarHBondContact OD1-N 3.24Å; D387-S592 VanDerWaalsContact OD1-N 3.09Å; D387-S592 PolarHBondContact OD1-OG 3.08Å; D387-S592 PolarHBondContact OD2-OG 2.84Å
388	V	95.2	Very high	91.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-94.7	141.3	174.8	179.1	0	0	0	0	109.7	V355 M365 P382 Q385 M386 G390 K421 D423 K476	V355-V388 HydrophobicContact CG1-CG2 3.62Å; M365-V388 HydrophobicContact CB-CG1 4.46Å; M365-V388 HydrophobicContact CB-CG2 4.32Å; M365-V388 HydrophobicContact CG-CG1 4.13Å; M365-V388 HydrophobicContact CG-CG2 4.25Å; M365-V388 HydrophobicContact SD-CG2 3.92Å; P382-V388 WeakPolarHBondContact O-CB 3.49Å; Q385-V388 HydrophobicContact CB-CB 4.2Å; Q385-V388 HydrophobicContact CB-CG2 3.87Å; Q385-V388 PolarHBondContact O-N 2.84Å; M386-V388 VanDerWaalsContact C-N 3.34Å; V388-G390 PolarHBondContact O-N 3.1Å; V388-K421 PolarHBondContact O-NZ 3.15Å; V388-D423 VanDerWaalsContact O-OD2 3.05Å; V388-K476 PolarHBondContact O-NZ 3.18Å
389	I	97.5	Very high	91.8	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	100.8	171.2	-59.5	165.4	0	0	0	107.9	I364 M365 V366 S367 V391 V453 V457 M475 K476 L479	I364-I389 HydrophobicContact CG2-CD1 3.64Å; M365-I389 PolarHBondContact O-N 3.46Å; V366-I389 HydrophobicContact CG2-CB 4.33Å; V366-I389 HydrophobicContact CG2-CD1 4.26Å; S367-I389 PolarHBondContact N-O 2.87Å; I389-V391 HydrophobicContact CG2-CG2 4.21Å; I389-V453 HydrophobicContact CG2-CG1 4.12Å; I389-V457 HydrophobicContact CD1-CG2 4.49Å; I389-M475 HydrophobicContact CD1-CG 4.36Å; I389-K476 HydrophobicContact CG1-CB 4.2Å; I389-K476 HydrophobicContact CG1-CD 4.31Å; I389-K476 HydrophobicContact CG1-CG 4.28Å; I389-L479 HydrophobicContact CD1-CD1 3.85Å; I389-L479 HydrophobicContact CG2-CD1 4.19Å
390	G	96.1	Very high	92.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.7	178.7	0	0	0	0	0	111.4	A383 V388 D423	A383-G390 WeakPolarHBondContact O-CA 3.42Å; V388-G390 PolarHBondContact O-N 3.1Å; G390-D423 PolarHBondContact N-OD2 3.39Å; G390-D423 PolarHBondContact O-N 3.41Å
391	V	97.4	Very high	92.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.8	-169.7	-174.2	0	0	0	0	111.7	V366 S367 I369 I389 T426 A449 V453	V366-V391 HydrophobicContact CG1-CG2 3.74Å; S367-V391 PolarHBondContact O-N 2.86Å; I369-V391 WeakPolarHBondContact CG2-O 3.36Å; I369-V391 PolarHBondContact N-O 2.79Å; I389-V391 HydrophobicContact CG2-CG2 4.21Å; V391-T426 HydrophobicContact CG1-CG2 3.88Å; V391-A449 HydrophobicContact CG1-CB 3.88Å; V391-V453 HydrophobicContact CB-CG2 4.29Å; V391-V453 HydrophobicContact CG1-CB 4.47Å; V391-V453 HydrophobicContact CG1-CG2 3.56Å; V391-V453 HydrophobicContact CG2-CB 3.83Å; V391-V453 HydrophobicContact CG2-CG1 4.09Å; V391-V453 HydrophobicContact CG2-CG2 3.66Å
392	G	96.6	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	164.6	169.9	0	0	0	0	0	113.7	I424 V425 T426	G392-I424 PolarHBondContact N-O 3.33Å; G392-I424 VanDerWaalsContact N-O 3.08Å; G392-V425 WeakPolarHBondContact O-CA 3.46Å; G392-T426 PolarHBondContact O-N 2.9Å
393	G	95.5	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.8	-175.3	0	0	0	0	0	113.7	A401 S404 T426	G393-A401 VanDerWaalsContact O-CB 3.28Å; G393-A401 WeakPolarHBondContact O-CB 3.42Å; G393-A401 PolarHBondContact O-N 3.09Å; G393-S404 PolarHBondContact N-OG 3.02Å; G393-T426 CarbonylContact C-O 3.42Å; G393-T426 WeakPolarHBondContact CA-O 3.17Å
394	I	95.6	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.4	168.7	65	179	0	0	0	112	N399 I400 V425 T426 Y427 G428 S429 L486 K498	I394-N399 CarbonylContact C-O 3.16Å; I394-N399 WeakPolarHBondContact CA-O 2.96Å; I394-N399 WeakPolarHBondContact CB-O 3.24Å; I394-I400 HydrophobicContact CG2-CD1 3.85Å; I394-V425 HydrophobicContact CG2-CB 3.89Å; I394-V425 HydrophobicContact CG2-CG2 3.73Å; I394-T426 VanDerWaalsContact CG1-C 3.46Å; I394-T426 WeakPolarHBondContact CG1-O 3.29Å; I394-T426 PolarHBondContact N-O 3.01Å; I394-Y427 HydrophobicContact CD1-CD1 4.28Å; I394-Y427 HydrophobicContact CD1-CE1 4.24Å; I394-Y427 HydrophobicContact CG1-CD1 4.1Å; I394-G428 PolarHBondContact O-N 3.29Å; I394-S429 PolarHBondContact O-N 2.95Å; I394-S429 VanDerWaalsContact O-N 3.11Å; I394-L486 HydrophobicContact CG2-CD1 4Å; I394-K498 HydrophobicContact CD1-CB 4.45Å; I394-K498 HydrophobicContact CD1-CD 3.44Å; I394-K498 VanDerWaalsContact CD1-CD 3.44Å; I394-K498 HydrophobicContact CD1-CG 3.83Å
395	D	92.6	Very high	93.6	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	14%	0.144	C	C	.	.			trans	-82.1	179.8	167	67.2	21.6	0	0	0	112.1	E397 D398 N399 Y427	D395-E397 PolarHBondContact O-N 3.14Å; D395-E397 VanDerWaalsContact OD1-C 3.27Å; D395-E397 VanDerWaalsContact OD1-CA 3.3Å; D395-E397 WeakPolarHBondContact OD1-CA 3.47Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.47Å; D395-D398 PolarHBondContact O-N 3.21Å; D395-D398 PolarHBondContact OD1-N 3.37Å; D395-N399 PolarHBondContact N-O 2.76Å; D395-N399 PolarHBondContact OD1-N 2.9Å; D395-N399 VanDerWaalsContact OD2-CB 3.31Å; D395-N399 WeakPolarHBondContact OD2-CB 3.49Å; D395-N399 PolarHBondContact OD2-ND2 2.04Å; D395-Y427 WeakPolarHBondContact O-CD1 3.32Å
396	F	90.1	Very high	93.6	Very high	88 Å²	88	31.5 Å²	31.5	39%	0.386	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.7	177.8	-72.5	-74.9	0	0	0	113.3	V226 I229 D398 Y427 S429	V226-F396 HydrophobicContact CG2-CE1 3.96Å; V226-F396 HydrophobicContact CG2-CZ 3.95Å; I229-F396 HydrophobicContact CD1-CD1 3.92Å; I229-F396 HydrophobicContact CD1-CE1 3.64Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-Y427 AromaticContact CD1-CD1 3.7Å; F396-Y427 HydrophobicContact CD1-CD1 3.7Å; F396-Y427 AromaticContact CD1-CE1 3.94Å; F396-Y427 HydrophobicContact CD1-CE1 3.94Å; F396-Y427 HydrophobicContact CD1-CG 4.31Å; F396-Y427 HydrophobicContact CE1-CD1 4.02Å; F396-Y427 HydrophobicContact CE1-CG 4.16Å; F396-Y427 HydrophobicContact CG-CD1 4.33Å; F396-S429 WeakPolarHBondContact CE2-O 3.13Å
397	E	89.8	Confident	93.4	Very high	143 Å²	143	31.2 Å²	31.2	67%	0.668	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.1	171.4	-68.4	92.7	-176.6	0	0	113.5	D395 N399	D395-E397 PolarHBondContact O-N 3.14Å; D395-E397 VanDerWaalsContact OD1-C 3.27Å; D395-E397 VanDerWaalsContact OD1-CA 3.3Å; D395-E397 WeakPolarHBondContact OD1-CA 3.47Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.47Å; E397-N399 VanDerWaalsContact C-N 3.34Å; E397-N399 WeakPolarHBondContact CB-ND2 3.33Å
398	D	91.1	Very high	93.1	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.23	14%	0.14	C	C	.	.	S	Bend	trans	67.7	24.2	-176.2	-69	-25.1	0	0	0	114.5	D395 F396 L486 K498	D395-D398 PolarHBondContact O-N 3.21Å; D395-D398 PolarHBondContact OD1-N 3.37Å; F396-D398 VanDerWaalsContact C-N 3.33Å; D398-L486 HydrophobicContact CB-CD2 3.93Å; D398-K498 WeakPolarHBondContact OD1-CD 3.47Å; D398-K498 IonicContact OD1-NZ 3.18Å; D398-K498 PolarHBondContact OD1-NZ 3.12Å; D398-K498 IonicContact OD2-NZ 2.95Å; D398-K498 PolarHBondContact OD2-NZ 2.84Å
399	N	94.3	Very high	92.7	Very high	90 Å²	90	30.8 Å²	30.8	48%	0.481	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-91.5	148.5	168.7	-44.5	-68.7	0	0	0	111.3	I394 D395 E397 A401	I394-N399 CarbonylContact C-O 3.16Å; I394-N399 WeakPolarHBondContact CA-O 2.96Å; I394-N399 WeakPolarHBondContact CB-O 3.24Å; D395-N399 PolarHBondContact N-O 2.76Å; D395-N399 PolarHBondContact OD1-N 2.9Å; D395-N399 VanDerWaalsContact OD2-CB 3.31Å; D395-N399 WeakPolarHBondContact OD2-CB 3.49Å; D395-N399 PolarHBondContact OD2-ND2 2.04Å; E397-N399 VanDerWaalsContact C-N 3.34Å; E397-N399 WeakPolarHBondContact CB-ND2 3.33Å; N399-A401 PolarHBondContact O-N 3.17Å
400	I	95.4	Very high	91.9	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.128	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-61.7	123.9	171.9	-57.8	-59.1	0	0	0	109.3	I394 R402 V425 L486 V489 E493 Q494	I394-I400 HydrophobicContact CG2-CD1 3.85Å; I400-R402 PolarHBondContact O-N 3.43Å; I400-V425 HydrophobicContact CD1-CG1 4.28Å; I400-V425 HydrophobicContact CD1-CG2 4.39Å; I400-L486 HydrophobicContact CD1-CD1 3.83Å; I400-V489 HydrophobicContact CD1-CG1 4.04Å; I400-V489 HydrophobicContact CG1-CG1 3.66Å; I400-V489 HydrophobicContact CG1-CG2 4.2Å; I400-E493 HydrophobicContact CG1-CB 4.34Å; I400-Q494 HydrophobicContact CD1-CB 4.17Å
401	A	94.2	Very high	91	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-62	136.9	178.9	0	0	0	0	0	109.8	G393 N399 F403 S404 R406	G393-A401 VanDerWaalsContact O-CB 3.28Å; G393-A401 WeakPolarHBondContact O-CB 3.42Å; G393-A401 PolarHBondContact O-N 3.09Å; N399-A401 PolarHBondContact O-N 3.17Å; A401-F403 HydrophobicContact CB-CD1 4.19Å; A401-F403 HydrophobicContact CB-CD2 4.32Å; A401-F403 HydrophobicContact CB-CE1 3.7Å; A401-F403 HydrophobicContact CB-CE2 3.82Å; A401-F403 HydrophobicContact CB-CG 4.48Å; A401-F403 HydrophobicContact CB-CZ 3.49Å; A401-F403 VanDerWaalsContact CB-CZ 3.49Å; A401-F403 PolarHBondContact O-N 3.24Å; A401-S404 WeakPolarHBondContact O-CB 3.36Å; A401-S404 PolarHBondContact O-N 2.94Å; A401-R406 PolarHBondContact O-NH2 3.35Å
402	R	92.2	Very high	90	Very high	180 Å²	180	35.3 Å²	35.3	68%	0.679	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-39.3	-173.5	-166.4	176.3	73.1	144.6	3.8	112.7	G373 P374 I400 S404	G373-R402 CarbonylContact C-O 3.57Å; P374-R402 WeakPolarHBondContact CA-O 3.39Å; P374-R402 HydrophobicContact CB-CG 4.23Å; P374-R402 HydrophobicContact CG-CG 4.12Å; I400-R402 PolarHBondContact O-N 3.43Å; R402-S404 VanDerWaalsContact C-N 3.29Å; R402-S404 PolarHBondContact O-N 2.8Å
403	F	90.1	Very high	88.9	Confident	29 Å²	29	35.6 Å²	35.6	13%	0.127	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.1	177.5	58.7	-104.3	0	0	0	113.4	T69 N371 D372 G373 A401 S405 G445 T446	T69-F403 HydrophobicContact CG2-CD1 4.47Å; N371-F403 CarbonylContact C-O 3.57Å; N371-F403 WeakPolarHBondContact CA-O 3.36Å; N371-F403 VanDerWaalsContact O-O 3.13Å; N371-F403 WeakPolarHBondContact OD1-CD2 3.11Å; D372-F403 PolarHBondContact N-O 2.89Å; G373-F403 PolarHBondContact N-O 2.83Å; A401-F403 HydrophobicContact CB-CD1 4.19Å; A401-F403 HydrophobicContact CB-CD2 4.32Å; A401-F403 HydrophobicContact CB-CE1 3.7Å; A401-F403 HydrophobicContact CB-CE2 3.82Å; A401-F403 HydrophobicContact CB-CG 4.48Å; A401-F403 HydrophobicContact CB-CZ 3.49Å; A401-F403 VanDerWaalsContact CB-CZ 3.49Å; A401-F403 PolarHBondContact O-N 3.24Å; F403-S405 PolarHBondContact O-N 3.24Å; F403-S405 VanDerWaalsContact O-N 3.08Å; F403-G445 VanDerWaalsContact CE2-CA 3.41Å; F403-T446 HydrophobicContact CD2-CG2 4.32Å; F403-T446 HydrophobicContact CE2-CG2 4.16Å
404	S	94.2	Very high	87.5	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	17%	0.17	C	C	.	.	S	Bend	trans	-63.3	119.3	-175.7	-169.4	0	0	0	0	109.8	G393 A401 R402 R406	G393-S404 PolarHBondContact N-OG 3.02Å; A401-S404 WeakPolarHBondContact O-CB 3.36Å; A401-S404 PolarHBondContact O-N 2.94Å; R402-S404 VanDerWaalsContact C-N 3.29Å; R402-S404 PolarHBondContact O-N 2.8Å; S404-R406 PolarHBondContact O-NE 3Å; S404-R406 PolarHBondContact O-NH2 2.94Å
405	S	91.9	Very high	86	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.			trans	-57	147.2	172	-68.4	0	0	0	0	110.8	I369 G370 N371 D372 T378 F403	I369-S405 WeakPolarHBondContact O-CB 3.36Å; G370-S405 VanDerWaalsContact CA-OG 3.32Å; G370-S405 WeakPolarHBondContact CA-OG 3.28Å; G370-S405 PolarHBondContact O-N 2.71Å; G370-S405 PolarHBondContact O-OG 2.98Å; N371-S405 PolarHBondContact N-OG 3.31Å; D372-S405 PolarHBondContact N-OG 3.4Å; D372-S405 VanDerWaalsContact N-OG 3.11Å; T378-S405 WeakPolarHBondContact O-CB 3.16Å; T378-S405 PolarHBondContact O-OG 2.86Å; T378-S405 WeakPolarHBondContact OG1-CA 3.33Å; F403-S405 PolarHBondContact O-N 3.24Å; F403-S405 VanDerWaalsContact O-N 3.08Å
406	R	90.9	Very high	85	Confident	21 Å²	21	38.9 Å²	38.9	8%	0.079	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-154.4	164.6	-172.2	65.5	-168.8	73.3	-169.5	9.4	111.4	P374 Y376 G377 T378 A401 S404 E493	P374-R406 VanDerWaalsContact O-CD 3.29Å; P374-R406 WeakPolarHBondContact O-CD 3.49Å; Y376-R406 WeakPolarHBondContact CA-O 3.39Å; Y376-R406 HydrophobicContact CD2-CG 3.8Å; Y376-R406 VanDerWaalsContact CE2-CD 3.43Å; Y376-R406 HydrophobicContact CE2-CG 3.85Å; Y376-R406 HydrophobicContact CG-CG 4.24Å; G377-R406 PolarHBondContact N-O 2.92Å; T378-R406 PolarHBondContact N-O 3.25Å; T378-R406 PolarHBondContact OG1-N 3.24Å; T378-R406 PolarHBondContact OG1-O 3.22Å; A401-R406 PolarHBondContact O-NH2 3.35Å; S404-R406 PolarHBondContact O-NE 3Å; S404-R406 PolarHBondContact O-NH2 2.94Å; R406-E493 HydrophobicContact CB-CG 4.21Å; R406-E493 IonicContact CZ-OE1 2.86Å; R406-E493 IonicContact NH1-OE1 2.95Å; R406-E493 PolarHBondContact NH1-OE1 3.23Å
407	G	87.9	Confident	84.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	118.3	179.8	-177	0	0	0	0	0	112	L379 K421 F492	L379-G407 WeakPolarHBondContact CD1-O 3.02Å; G407-K421 VanDerWaalsContact O-O 3.07Å; G407-F492 PolarHBondContact N-O 2.8Å
408	M	87.3	Confident	84.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-84	165.9	173.1	66.6	-164.8	76.8	0	0	110.7	L379 T410 L413 G418 R419 F492 H691	L379-M408 WeakPolarHBondContact CD1-O 3.46Å; M408-T410 PolarHBondContact O-N 3.23Å; M408-L413 HydrophobicContact CG-CD2 3.69Å; M408-L413 HydrophobicContact SD-CD2 3.52Å; M408-L413 VanDerWaalsContact SD-CD2 3.52Å; M408-G418 PolarHBondContact SD-N 2.94Å; M408-R419 WeakPolarHBondContact CA-O 3.39Å; M408-F492 HydrophobicContact CB-CD1 3.66Å; M408-F492 HydrophobicContact CB-CE1 3.44Å; M408-F492 VanDerWaalsContact CB-CE1 3.44Å; M408-F492 HydrophobicContact CB-CZ 4.17Å; M408-F492 HydrophobicContact CE-CE2 4.48Å; M408-F492 HydrophobicContact CE-CZ 4.44Å; M408-H691 HydrophobicContact CE-CB 3.62Å
409	T	86.8	Confident	84.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.			trans	-59.3	129.5	173.9	54.3	0	0	0	0	111.2	L379 M386 W411 E412 G418 R419 K421	L379-T409 HydrophobicContact CD1-CG2 4.37Å; M386-T409 HydrophobicContact CE-CG2 3.58Å; T409-W411 VanDerWaalsContact CB-CZ2 3.45Å; T409-W411 HydrophobicContact CG2-CH2 3.13Å; T409-W411 HydrophobicContact CG2-CZ2 3.36Å; T409-W411 HydrophobicContact CG2-CZ3 3.87Å; T409-E412 PolarHBondContact OG1-OE2 2.9Å; T409-G418 VanDerWaalsContact O-CA 3.31Å; T409-G418 WeakPolarHBondContact O-CA 3.37Å; T409-G418 WeakPolarHBondContact OG1-CA 3.41Å; T409-R419 HydrophobicContact CG2-CB 4.24Å; T409-R419 PolarHBondContact N-O 2.97Å; T409-R419 VanDerWaalsContact N-O 3.1Å; T409-R419 PolarHBondContact OG1-N 3.29Å; T409-K421 HydrophobicContact CG2-CB 4.5Å; T409-K421 HydrophobicContact CG2-CG 3.98Å
410	T	80.3	Confident	84.4	Confident	15 Å²	15	24.7 Å²	24.7	9%	0.092	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-84.1	-28	-171.5	50.3	0	0	0	0	113	M408 E412 L413	M408-T410 PolarHBondContact O-N 3.23Å; T410-E412 PolarHBondContact O-N 2.81Å; T410-L413 HydrophobicContact CG2-CD1 3.99Å; T410-L413 WeakPolarHBondContact O-CB 3.35Å; T410-L413 PolarHBondContact O-N 2.77Å; T410-L413 VanDerWaalsContact O-N 3.1Å
411	W	76.2	Confident	84.3	Confident	46 Å²	46	23.5 Å²	23.5	17%	0.174	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-65.5	-12.1	179.8	61.3	87	0	0	0	114.8	D384 M386 T409	D384-W411 VanDerWaalsContact C-CH2 3.42Å; D384-W411 HydrophobicContact CB-CH2 3.33Å; D384-W411 HydrophobicContact CB-CZ3 3.3Å; D384-W411 VanDerWaalsContact CG-CH2 3.45Å; D384-W411 WeakPolarHBondContact O-CH2 3.38Å; D384-W411 WeakPolarHBondContact OD2-CZ3 2.9Å; M386-W411 HydrophobicContact CE-CH2 4.48Å; M386-W411 HydrophobicContact CE-CZ2 4Å; T409-W411 VanDerWaalsContact CB-CZ2 3.45Å; T409-W411 HydrophobicContact CG2-CH2 3.13Å; T409-W411 HydrophobicContact CG2-CZ2 3.36Å; T409-W411 HydrophobicContact CG2-CZ3 3.87Å
412	E	76.6	Confident	84.4	Confident	37 Å²	37	23.3 Å²	23.3	17%	0.173	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-100.8	-11.6	177.5	-73.3	168.4	132.5	0	0	113.4	T409 T410 G415 G416 Y417 R419	T409-E412 PolarHBondContact OG1-OE2 2.9Å; T410-E412 PolarHBondContact O-N 2.81Å; E412-G415 PolarHBondContact O-N 3.42Å; E412-G416 PolarHBondContact O-N 2.94Å; E412-Y417 WeakPolarHBondContact CB-O 3.45Å; E412-R419 IonicContact OE1-CZ 2.86Å; E412-R419 IonicContact OE1-NE 3.11Å; E412-R419 PolarHBondContact OE1-NE 2.93Å; E412-R419 IonicContact OE1-NH2 2.82Å; E412-R419 PolarHBondContact OE1-NH2 3.03Å; E412-R419 WeakPolarHBondContact OE2-CG 3.42Å; E412-R419 IonicContact OE2-CZ 3.86Å; E412-R419 PolarHBondContact OE2-N 2.98Å; E412-R419 IonicContact OE2-NE 3.8Å; E412-R419 PolarHBondContact OE2-NE 3.37Å; E412-R419 IonicContact OE2-NH2 3.07Å; E412-R419 PolarHBondContact OE2-NH2 3.25Å
413	L	74.9	Confident	84.6	Confident	5 Å²	5	15 Å²	15	3%	0.026	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-61.4	-37.5	-175.1	-65	178.1	0	0	0	114.7	M408 T410 G415 G416 Q660 H689 T692	M408-L413 HydrophobicContact CG-CD2 3.69Å; M408-L413 HydrophobicContact SD-CD2 3.52Å; M408-L413 VanDerWaalsContact SD-CD2 3.52Å; T410-L413 HydrophobicContact CG2-CD1 3.99Å; T410-L413 WeakPolarHBondContact O-CB 3.35Å; T410-L413 PolarHBondContact O-N 2.77Å; T410-L413 VanDerWaalsContact O-N 3.1Å; L413-G415 PolarHBondContact O-N 2.78Å; L413-G416 PolarHBondContact O-N 2.79Å; L413-Q660 WeakPolarHBondContact O-CG 3.38Å; L413-H689 HydrophobicContact CD1-CB 4.05Å; L413-H689 HydrophobicContact CD2-CB 4.41Å; L413-T692 HydrophobicContact CD1-CG2 3.76Å
414	P	64.9	Low	85	Confident	27 Å²	27	13.6 Å²	13.6	18%	0.175	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-60.7	-19	174.7	-23	33.2	0	0	0	113.7	R665	P414-R665 HydrophobicContact CG-CB 3.69Å; P414-R665 HydrophobicContact CG-CG 4.03Å
415	G	65.4	Low	85.2	Confident	58 Å²	58	13.6 Å²	13.6	60%	0.598	8%	0.079	S	C	*	.	G	3₁₀ helix	trans	-98.1	1.3	174.7	0	0	0	0	0	114.3	E412 L413	E412-G415 PolarHBondContact O-N 3.42Å; L413-G415 PolarHBondContact O-N 2.78Å
416	G	70.5	Confident	85.4	Confident	4 Å²	4	13.6 Å²	13.6	4%	0.041	8%	0.079	C	C	.	.	S	Bend	trans	131.4	-63.2	173	0	0	0	0	0	114.6	E412 L413 H689	E412-G416 PolarHBondContact O-N 2.94Å; L413-G416 PolarHBondContact O-N 2.79Å; G416-H689 PolarHBondContact O-NE2 3.21Å
417	Y	81.9	Confident	85.6	Confident	25 Å²	25	13.2 Å²	13.2	10%	0.098	8%	0.078	C	C	.	.			trans	-144.6	145.7	-173.3	-71.8	-95.2	0	0	0	111.6	E412 Y533 I546 N548 H691 V710	E412-Y417 WeakPolarHBondContact CB-O 3.45Å; Y417-Y533 AromaticContact CD1-CE1 3.97Å; Y417-Y533 HydrophobicContact CD1-CE1 3.97Å; Y417-Y533 HydrophobicContact CE1-CE1 4.09Å; Y417-I546 HydrophobicContact CD2-CB 4.15Å; Y417-N548 PolarHBondContact O-ND2 3.28Å; Y417-H691 AromaticContact CE1-CD2 3.6Å; Y417-H691 AromaticContact CE1-NE2 3.57Å; Y417-V710 HydrophobicContact CE2-CB 4.21Å; Y417-V710 HydrophobicContact CE2-CG2 4.49Å; Y417-V710 WeakPolarHBondContact OH-CG2 3.45Å
418	G	87.3	Confident	85.8	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-83.6	171.5	173	0	0	0	0	0	114.3	M408 T409	M408-G418 PolarHBondContact SD-N 2.94Å; T409-G418 VanDerWaalsContact O-CA 3.31Å; T409-G418 WeakPolarHBondContact O-CA 3.37Å; T409-G418 WeakPolarHBondContact OG1-CA 3.41Å
419	R	91.1	Very high	86.1	Confident	32 Å²	32	13.5 Å²	13.5	12%	0.121	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-90	163.2	170.8	-76.2	177.2	-73.7	-169.4	-11.6	112	M386 M408 T409 E412 K421 N548 T550	M386-R419 HydrophobicContact CE-CB 3.9Å; M386-R419 HydrophobicContact SD-CB 4.28Å; M408-R419 WeakPolarHBondContact CA-O 3.39Å; T409-R419 HydrophobicContact CG2-CB 4.24Å; T409-R419 PolarHBondContact N-O 2.97Å; T409-R419 VanDerWaalsContact N-O 3.1Å; T409-R419 PolarHBondContact OG1-N 3.29Å; E412-R419 IonicContact OE1-CZ 2.86Å; E412-R419 IonicContact OE1-NE 3.11Å; E412-R419 PolarHBondContact OE1-NE 2.93Å; E412-R419 IonicContact OE1-NH2 2.82Å; E412-R419 PolarHBondContact OE1-NH2 3.03Å; E412-R419 WeakPolarHBondContact OE2-CG 3.42Å; E412-R419 IonicContact OE2-CZ 3.86Å; E412-R419 PolarHBondContact OE2-N 2.98Å; E412-R419 IonicContact OE2-NE 3.8Å; E412-R419 PolarHBondContact OE2-NE 3.37Å; E412-R419 IonicContact OE2-NH2 3.07Å; E412-R419 PolarHBondContact OE2-NH2 3.25Å; R419-K421 PolarHBondContact O-N 2.9Å; R419-N548 HydrophobicContact CG-CB 3.73Å; R419-T550 WeakPolarHBondContact CD-OG1 3.47Å
420	V	93.4	Very high	86.2	Confident	8 Å²	8	13.9 Å²	13.9	5%	0.048	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-72.2	122.3	-178	-180	0	0	0	0	111.4	M491 F492	V420-M491 HydrophobicContact CG1-CB 4.32Å; V420-M491 HydrophobicContact CG1-CG 4.38Å; V420-M491 HydrophobicContact CG2-CG 4.21Å; V420-M491 HydrophobicContact CG2-SD 3.81Å; V420-F492 HydrophobicContact CB-CE1 4.34Å; V420-F492 HydrophobicContact CG2-CD1 4.47Å; V420-F492 HydrophobicContact CG2-CE1 3.85Å; V420-F492 HydrophobicContact CG2-CZ 4.22Å
421	K	93.4	Very high	86.7	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.08	C	C	.	.			trans	-146	158.7	166.1	-80.5	-67.8	-179.5	152	0	109.2	I369 L379 A383 D384 Q385 M386 V388 G407 T409 R419 D423	I369-K421 HydrophobicContact CD1-CB 4.28Å; L379-K421 HydrophobicContact CD1-CB 3.58Å; L379-K421 HydrophobicContact CD1-CG 4.41Å; A383-K421 WeakPolarHBondContact O-CE 3.42Å; A383-K421 PolarHBondContact O-NZ 3.48Å; D384-K421 VanDerWaalsContact O-CE 3.22Å; D384-K421 WeakPolarHBondContact O-CE 3.48Å; Q385-K421 WeakPolarHBondContact O-CE 3.47Å; Q385-K421 PolarHBondContact O-NZ 2.84Å; M386-K421 HydrophobicContact CE-CG 4.19Å; V388-K421 PolarHBondContact O-NZ 3.15Å; G407-K421 VanDerWaalsContact O-O 3.07Å; T409-K421 HydrophobicContact CG2-CB 4.5Å; T409-K421 HydrophobicContact CG2-CG 3.98Å; R419-K421 PolarHBondContact O-N 2.9Å; K421-D423 IonicContact NZ-OD1 3.82Å; K421-D423 IonicContact NZ-OD2 3.85Å; K421-D423 PolarHBondContact NZ-OD2 2.97Å
422	P	95.7	Very high	87.4	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.			cis	-60.3	170.3	-10.3	28.9	-36.1	0	0	0	112.1	I369 V425 G495	I369-P422 HydrophobicContact CB-CB 4.28Å; I369-P422 HydrophobicContact CD1-CB 4.25Å; I369-P422 HydrophobicContact CG1-CB 4Å; P422-V425 HydrophobicContact CG-CG1 4.04Å; P422-G495 WeakPolarHBondContact O-CA 3.43Å
423	D	96.9	Very high	88	Confident	4 Å²	4	14.2 Å²	14.2	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-75.1	-44.1	178	-63.5	-64.9	0	0	0	111.3	V388 G390 K421 K476 I480 H496	V388-D423 VanDerWaalsContact O-OD2 3.05Å; G390-D423 PolarHBondContact N-OD2 3.39Å; G390-D423 PolarHBondContact O-N 3.41Å; K421-D423 IonicContact NZ-OD1 3.82Å; K421-D423 IonicContact NZ-OD2 3.85Å; K421-D423 PolarHBondContact NZ-OD2 2.97Å; D423-K476 WeakPolarHBondContact OD1-CE 3.23Å; D423-K476 IonicContact OD1-NZ 3.71Å; D423-K476 PolarHBondContact OD1-NZ 3.09Å; D423-K476 WeakPolarHBondContact OD2-CE 3.4Å; D423-K476 IonicContact OD2-NZ 3.01Å; D423-K476 PolarHBondContact OD2-NZ 2.97Å; D423-I480 HydrophobicContact CB-CG2 4.48Å; D423-H496 PolarHBondContact O-N 3.42Å; D423-H496 PolarHBondContact O-ND1 2.79Å; D423-H496 VanDerWaalsContact O-ND1 3.07Å
424	I	97.6	Very high	88.8	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	167.3	178.5	58.1	167.3	0	0	0	110.2	G392 V453 L479 I480 A483 G497 L499	G392-I424 PolarHBondContact N-O 3.33Å; G392-I424 VanDerWaalsContact N-O 3.08Å; I424-V453 HydrophobicContact CD1-CG1 4.04Å; I424-V453 HydrophobicContact CD1-CG2 3.87Å; I424-L479 HydrophobicContact CD1-CB 4.38Å; I424-L479 HydrophobicContact CD1-CD1 4.35Å; I424-I480 HydrophobicContact CG2-CG2 4.43Å; I424-A483 HydrophobicContact CG2-CB 3.99Å; I424-G497 WeakPolarHBondContact CA-O 3.3Å; I424-L499 HydrophobicContact CD1-CB 4.44Å; I424-L499 HydrophobicContact CD1-CD1 4.2Å
425	V	97.8	Very high	89.9	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.6	173.3	-61.8	0	0	0	0	112.2	G392 I394 I400 P422 L486 Q494 G497 K498 L499	G392-V425 WeakPolarHBondContact O-CA 3.46Å; I394-V425 HydrophobicContact CG2-CB 3.89Å; I394-V425 HydrophobicContact CG2-CG2 3.73Å; I400-V425 HydrophobicContact CD1-CG1 4.28Å; I400-V425 HydrophobicContact CD1-CG2 4.39Å; P422-V425 HydrophobicContact CG-CG1 4.04Å; V425-L486 HydrophobicContact CG2-CD1 3.9Å; V425-Q494 HydrophobicContact CG2-CB 4.32Å; V425-G497 PolarHBondContact N-O 3.27Å; V425-K498 CarbonylContact O-C 3.56Å; V425-K498 VanDerWaalsContact O-CA 3.27Å; V425-K498 WeakPolarHBondContact O-CA 3.4Å; V425-L499 PolarHBondContact O-N 2.9Å
426	T	96.6	Very high	90.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	173.9	174.4	-165.1	0	0	0	0	111.4	V391 G392 G393 I394 G428 A449 V452 V453	V391-T426 HydrophobicContact CG1-CG2 3.88Å; G392-T426 PolarHBondContact O-N 2.9Å; G393-T426 CarbonylContact C-O 3.42Å; G393-T426 WeakPolarHBondContact CA-O 3.17Å; I394-T426 VanDerWaalsContact CG1-C 3.46Å; I394-T426 WeakPolarHBondContact CG1-O 3.29Å; I394-T426 PolarHBondContact N-O 3.01Å; T426-G428 PolarHBondContact O-N 2.86Å; T426-G428 VanDerWaalsContact O-N 3.09Å; T426-A449 HydrophobicContact CG2-CB 3.84Å; T426-A449 VanDerWaalsContact CG2-O 3.31Å; T426-A449 WeakPolarHBondContact CG2-O 3.42Å; T426-V452 HydrophobicContact CG2-CB 3.85Å; T426-V452 HydrophobicContact CG2-CG1 3.79Å; T426-V452 WeakPolarHBondContact OG1-CG1 3.44Å; T426-V453 HydrophobicContact CG2-CG2 3.76Å
427	Y	95.5	Very high	91.4	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.051	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	118.1	-176.6	-57.5	-72	0	0	0	110.9	V226 I229 L230 I394 D395 F396 V431 K498	V226-Y427 HydrophobicContact CG1-CD2 3.84Å; V226-Y427 HydrophobicContact CG1-CG 4.44Å; I229-Y427 HydrophobicContact CB-CE2 4.39Å; I229-Y427 HydrophobicContact CG2-CE2 3.58Å; I229-Y427 VanDerWaalsContact CG2-OH 3.29Å; I229-Y427 WeakPolarHBondContact CG2-OH 3.4Å; L230-Y427 HydrophobicContact CD1-CD2 4.2Å; L230-Y427 HydrophobicContact CD1-CE2 4.4Å; L230-Y427 HydrophobicContact CD2-CD2 4.44Å; L230-Y427 HydrophobicContact CD2-CE2 3.88Å; L230-Y427 HydrophobicContact CG-CD2 4.22Å; L230-Y427 HydrophobicContact CG-CE2 3.94Å; I394-Y427 HydrophobicContact CD1-CD1 4.28Å; I394-Y427 HydrophobicContact CD1-CE1 4.24Å; I394-Y427 HydrophobicContact CG1-CD1 4.1Å; D395-Y427 WeakPolarHBondContact O-CD1 3.32Å; F396-Y427 AromaticContact CD1-CD1 3.7Å; F396-Y427 HydrophobicContact CD1-CD1 3.7Å; F396-Y427 AromaticContact CD1-CE1 3.94Å; F396-Y427 HydrophobicContact CD1-CE1 3.94Å; F396-Y427 HydrophobicContact CD1-CG 4.31Å; F396-Y427 HydrophobicContact CE1-CD1 4.02Å; F396-Y427 HydrophobicContact CE1-CG 4.16Å; F396-Y427 HydrophobicContact CG-CD1 4.33Å; Y427-V431 WeakPolarHBondContact O-CG2 3.47Å; Y427-K498 PolarHBondContact OH-NZ 2.96Å; Y427-K498 VanDerWaalsContact OH-NZ 3.17Å
428	G	92.8	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.			trans	-129.6	-10.7	-179.9	0	0	0	0	0	113.1	I394 T426 S444 G445	I394-G428 PolarHBondContact O-N 3.29Å; T426-G428 PolarHBondContact O-N 2.86Å; T426-G428 VanDerWaalsContact O-N 3.09Å; G428-S444 CarbonylContact O-C 3.58Å; G428-S444 WeakPolarHBondContact O-CA 2.89Å; G428-G445 PolarHBondContact O-N 2.71Å
429	S	92.3	Very high	91.5	Very high	8 Å²	8	28.3 Å²	28.3	6%	0.056	14%	0.137	C	C	.	.	S	Bend	trans	-98.5	130.4	172.6	-163.8	0	0	0	0	111.2	I394 F396 V431 S444	I394-S429 PolarHBondContact O-N 2.95Å; I394-S429 VanDerWaalsContact O-N 3.11Å; F396-S429 WeakPolarHBondContact CE2-O 3.13Å; S429-V431 VanDerWaalsContact C-N 3.28Å; S429-V431 PolarHBondContact O-N 3.2Å; S429-S444 PolarHBondContact OG-OG 3.28Å
430	G	89	Confident	91.5	Very high	8 Å²	8	28.4 Å²	28.4	8%	0.082	14%	0.142	C	C	.	.	S	Bend	trans	67.2	20.6	170.2	0	0	0	0	0	115.5	S442 L443 S444	G430-S442 WeakPolarHBondContact CA-OG 3.35Å; G430-S442 PolarHBondContact O-OG 3.2Å; G430-L443 PolarHBondContact N-O 3.04Å; G430-S444 PolarHBondContact N-OG 2.95Å
431	V	90.3	Very high	91.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133	-176.9	174.3	0	0	0	0	110.6	V226 F285 V289 Y427 S429 S442 L443 V448	V226-V431 HydrophobicContact CG2-CB 4.28Å; V226-V431 HydrophobicContact CG2-CG1 3.77Å; V226-V431 HydrophobicContact CG2-CG2 3.97Å; F285-V431 HydrophobicContact CZ-CG1 4.49Å; F285-V431 WeakPolarHBondContact CZ-O 3.19Å; V289-V431 HydrophobicContact CG2-CG1 4.34Å; Y427-V431 WeakPolarHBondContact O-CG2 3.47Å; S429-V431 VanDerWaalsContact C-N 3.28Å; S429-V431 PolarHBondContact O-N 3.2Å; V431-S442 VanDerWaalsContact O-CA 3.27Å; V431-S442 WeakPolarHBondContact O-CA 3.38Å; V431-L443 PolarHBondContact N-O 3.08Å; V431-L443 VanDerWaalsContact N-O 3.1Å; V431-L443 PolarHBondContact O-N 2.91Å; V431-V448 HydrophobicContact CB-CG1 3.42Å; V431-V448 VanDerWaalsContact CB-CG1 3.42Å; V431-V448 HydrophobicContact CG1-CG1 3.84Å; V431-V448 HydrophobicContact CG2-CG1 3.76Å
432	R	90.6	Very high	91.1	Very high	104 Å²	104	32.6 Å²	32.6	39%	0.392	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.9	175.8	-68.5	-177.8	71	167.8	1.3	111.1	R441	R432-R441 CarbonylContact C-O 3.57Å; R432-R441 WeakPolarHBondContact CA-O 3.46Å
433	G	90.1	Very high	90.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	-178.3	175.7	0	0	0	0	0	111.4	F285 C440 R441	F285-G433 VanDerWaalsContact CE2-N 3.33Å; G433-C440 CarbonylContact O-C 3.57Å; G433-C440 WeakPolarHBondContact O-CA 3.45Å; G433-R441 PolarHBondContact N-O 3.45Å; G433-R441 PolarHBondContact O-N 3.22Å
434	S	91.4	Very high	90.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.7	-178.5	-64.7	0	0	0	0	112.3	H260 F285 S292	H260-S434 PolarHBondContact ND1-OG 3.31Å; F285-S434 WeakPolarHBondContact CA-O 3.25Å; S292-S434 WeakPolarHBondContact CB-OG 3.46Å
435	G	88.1	Confident	90.1	Very high	8 Å²	8	32.4 Å²	32.4	8%	0.082	16%	0.16	C	C	.	.			trans	-71.9	177.8	168	0	0	0	0	0	112.1	H258 T284 G439	H258-G435 PolarHBondContact CD2-O 2.9Å; H258-G435 VanDerWaalsContact CD2-O 3.3Å; H258-G435 PolarHBondContact NE2-O 2.88Å; H258-G435 VanDerWaalsContact NE2-O 3.07Å; T284-G435 WeakPolarHBondContact CG2-O 3.5Å; G435-G439 PolarHBondContact N-O 2.93Å
436	L	86.2	Confident	89.8	Confident	65 Å²	65	32.5 Å²	32.5	34%	0.34	16%	0.16	S	C	.	.	S	Bend	trans	-69.7	-42.7	-179	174	60.4	0	0	0	112.8	S255 D278	S255-L436 WeakPolarHBondContact CB-O 3.32Å; S255-L436 PolarHBondContact OG-O 3.21Å; D278-L436 HydrophobicContact CB-CD1 4.16Å; D278-L436 WeakPolarHBondContact O-CD1 3.08Å
437	K	82.1	Confident	89.4	Confident	167 Å²	167	32.5 Å²	32.5	73%	0.726	16%	0.16	S	C	*	.	S	Bend	trans	-107.7	-49.7	-178.6	-65.8	-173.9	179.3	-178	0	112.2	H258	H258-K437 PolarHBondContact CD2-O 3.45Å; H258-K437 VanDerWaalsContact CD2-O 3.26Å
438	E	83.9	Confident	89.3	Confident	153 Å²	153	31.9 Å²	31.9	72%	0.715	16%	0.158	S	C	*	.	S	Bend	trans	-156.1	169.4	-179.4	63.7	-175	175.1	0	0	111
439	G	87.6	Confident	89.4	Confident	21 Å²	21	31.9 Å²	31.9	22%	0.216	16%	0.158	C	C	.	.	S	Bend	trans	69.6	-168.8	176.6	0	0	0	0	0	114.3	H260 G435	H260-G439 PolarHBondContact CE1-O 3.2Å; G435-G439 PolarHBondContact N-O 2.93Å
440	C	89.3	Confident	89.6	Confident	34 Å²	34	31.5 Å²	31.5	23%	0.23	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.4	177.7	-50.6	0	0	0	0	112.1	E295 C296 G433	E295-C440 VanDerWaalsContact C-SG 3.52Å; E295-C440 PolarHBondContact O-SG 3Å; E295-C440 VanDerWaalsContact O-SG 3.33Å; C296-C440 HydrophobicContact CB-CB 4.18Å; C296-C440 WeakPolarHBondContact CB-SG 3.12Å; C296-C440 WeakPolarHBondContact SG-CA 3.06Å; C296-C440 WeakPolarHBondContact SG-CB 3.49Å; C296-C440 CovalentContact SG-SG 2.01Å; C296-C440 PolarHBondContact SG-SG 3.46Å; G433-C440 CarbonylContact O-C 3.57Å; G433-C440 WeakPolarHBondContact O-CA 3.45Å
441	R	89.4	Confident	89.9	Confident	74 Å²	74	31.1 Å²	31.1	28%	0.279	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.3	168.1	-174.5	175.1	-179.5	-172.1	-2	110	F285 R432 G433 L443	F285-R441 WeakPolarHBondContact CE2-O 3.28Å; R432-R441 CarbonylContact C-O 3.57Å; R432-R441 WeakPolarHBondContact CA-O 3.46Å; G433-R441 PolarHBondContact N-O 3.45Å; G433-R441 PolarHBondContact O-N 3.22Å; R441-L443 HydrophobicContact CG-CD2 4.36Å; R441-L443 HydrophobicContact CG-CG 4.45Å
442	S	89.8	Confident	90.2	Very high	21 Å²	21	31 Å²	31	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.4	172.8	-176.9	0	0	0	0	110.2	G430 V431	G430-S442 WeakPolarHBondContact CA-OG 3.35Å; G430-S442 PolarHBondContact O-OG 3.2Å; V431-S442 VanDerWaalsContact O-CA 3.27Å; V431-S442 WeakPolarHBondContact O-CA 3.38Å
443	L	89.2	Confident	90.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.5	178.2	-63.9	179.2	0	0	0	110.6	L68 L70 Y167 F285 G430 V431 R441 V448	L68-L443 HydrophobicContact CB-CD2 4.08Å; L68-L443 WeakPolarHBondContact O-CA 3.49Å; L70-L443 HydrophobicContact CD1-CB 4.27Å; L70-L443 HydrophobicContact CD1-CD1 4.17Å; Y167-L443 HydrophobicContact CD1-CD2 3.81Å; Y167-L443 HydrophobicContact CE1-CD1 4.24Å; Y167-L443 HydrophobicContact CE1-CD2 3.62Å; F285-L443 HydrophobicContact CB-CD1 4.16Å; F285-L443 HydrophobicContact CD1-CD1 3.82Å; F285-L443 HydrophobicContact CD2-CD1 3.65Å; F285-L443 HydrophobicContact CD2-CG 4.02Å; F285-L443 HydrophobicContact CE1-CB 4.18Å; F285-L443 HydrophobicContact CE1-CD1 4.1Å; F285-L443 HydrophobicContact CE2-CB 3.95Å; F285-L443 HydrophobicContact CE2-CD1 3.9Å; F285-L443 HydrophobicContact CE2-CG 3.83Å; F285-L443 HydrophobicContact CG-CD1 3.6Å; F285-L443 HydrophobicContact CG-CG 4.43Å; F285-L443 HydrophobicContact CZ-CB 3.75Å; F285-L443 HydrophobicContact CZ-CD1 4.14Å; F285-L443 HydrophobicContact CZ-CG 4.12Å; G430-L443 PolarHBondContact N-O 3.04Å; V431-L443 PolarHBondContact N-O 3.08Å; V431-L443 VanDerWaalsContact N-O 3.1Å; V431-L443 PolarHBondContact O-N 2.91Å; R441-L443 HydrophobicContact CG-CD2 4.36Å; R441-L443 HydrophobicContact CG-CG 4.45Å; L443-V448 HydrophobicContact CB-CG2 3.83Å
444	S	90.3	Very high	90.9	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.5	171.4	-55	0	0	0	0	111.3	L68 L70 G428 S429 G430	L68-S444 PolarHBondContact O-N 3.26Å; L70-S444 VanDerWaalsContact CB-O 3.28Å; L70-S444 WeakPolarHBondContact CB-O 3.38Å; L70-S444 PolarHBondContact N-O 3.34Å; G428-S444 CarbonylContact O-C 3.58Å; G428-S444 WeakPolarHBondContact O-CA 2.89Å; S429-S444 PolarHBondContact OG-OG 3.28Å; G430-S444 PolarHBondContact N-OG 2.95Å
445	G	90.4	Very high	91.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	160.4	160.6	176.6	0	0	0	0	0	112.3	F403 G428 S447 V448 A449	F403-G445 VanDerWaalsContact CE2-CA 3.41Å; G428-G445 PolarHBondContact O-N 2.71Å; G445-S447 PolarHBondContact O-N 2.89Å; G445-V448 WeakPolarHBondContact O-CA 3.36Å; G445-V448 WeakPolarHBondContact O-CB 3.32Å; G445-V448 PolarHBondContact O-N 3.15Å; G445-A449 PolarHBondContact O-N 3.24Å
446	T	90.4	Very high	91.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-68.7	-24.6	171.2	56.4	0	0	0	0	111.8	A368 I369 G370 N371 F403 V448 A449 S450	A368-T446 VanDerWaalsContact CB-C 3.42Å; A368-T446 WeakPolarHBondContact CB-O 3.39Å; I369-T446 HydrophobicContact CG2-CG2 4.02Å; G370-T446 VanDerWaalsContact C-OG1 3.27Å; G370-T446 PolarHBondContact N-OG1 3.4Å; G370-T446 WeakPolarHBondContact O-CG2 3.39Å; G370-T446 PolarHBondContact O-OG1 2.87Å; N371-T446 PolarHBondContact OD1-N 3.07Å; N371-T446 PolarHBondContact OD1-OG1 3.32Å; F403-T446 HydrophobicContact CD2-CG2 4.32Å; F403-T446 HydrophobicContact CE2-CG2 4.16Å; T446-V448 PolarHBondContact O-N 3.42Å; T446-V448 VanDerWaalsContact O-N 3.12Å; T446-A449 PolarHBondContact O-N 2.92Å; T446-A449 VanDerWaalsContact O-N 3.07Å; T446-S450 PolarHBondContact O-N 2.84Å
447	S	88.7	Confident	92.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.3	-17.6	166.6	63.7	0	0	0	0	113.6	L70 H282 S340 G445 P451	L70-S447 WeakPolarHBondContact CD1-OG 3.47Å; H282-S447 PolarHBondContact NE2-OG 2.88Å; S340-S447 WeakPolarHBondContact CB-O 3.44Å; S340-S447 WeakPolarHBondContact O-CB 3.28Å; S340-S447 PolarHBondContact OG-O 2.84Å; G445-S447 PolarHBondContact O-N 2.89Å; S447-P451 WeakPolarHBondContact O-CD 3.38Å; S447-P451 WeakPolarHBondContact O-CG 3.43Å
448	V	92.5	Very high	92.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-95.4	-32.7	174.3	-178.9	0	0	0	0	112	L70 F285 V431 L443 G445 T446 P451	L70-V448 HydrophobicContact CD1-CG2 3.96Å; F285-V448 HydrophobicContact CE1-CB 4.12Å; F285-V448 HydrophobicContact CE1-CG1 3.58Å; F285-V448 HydrophobicContact CE1-CG2 3.74Å; F285-V448 HydrophobicContact CZ-CG1 3.74Å; F285-V448 HydrophobicContact CZ-CG2 4.26Å; V431-V448 HydrophobicContact CB-CG1 3.42Å; V431-V448 VanDerWaalsContact CB-CG1 3.42Å; V431-V448 HydrophobicContact CG1-CG1 3.84Å; V431-V448 HydrophobicContact CG2-CG1 3.76Å; L443-V448 HydrophobicContact CB-CG2 3.83Å; G445-V448 WeakPolarHBondContact O-CA 3.36Å; G445-V448 WeakPolarHBondContact O-CB 3.32Å; G445-V448 PolarHBondContact O-N 3.15Å; T446-V448 PolarHBondContact O-N 3.42Å; T446-V448 VanDerWaalsContact O-N 3.12Å; V448-P451 VanDerWaalsContact O-CD 3.28Å; V448-P451 WeakPolarHBondContact O-CD 3.46Å; V448-P451 VanDerWaalsContact O-CG 3.28Å; V448-P451 WeakPolarHBondContact O-CG 3.46Å
449	A	95.3	Very high	93.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.4	-39.1	174.5	0	0	0	0	0	112.5	V391 T426 G445 T446 V452 V453	V391-A449 HydrophobicContact CG1-CB 3.88Å; T426-A449 HydrophobicContact CG2-CB 3.84Å; T426-A449 VanDerWaalsContact CG2-O 3.31Å; T426-A449 WeakPolarHBondContact CG2-O 3.42Å; G445-A449 PolarHBondContact O-N 3.24Å; T446-A449 PolarHBondContact O-N 2.92Å; T446-A449 VanDerWaalsContact O-N 3.07Å; A449-V452 WeakPolarHBondContact O-CB 3.41Å; A449-V452 PolarHBondContact O-N 3.13Å; A449-V452 VanDerWaalsContact O-N 3.16Å; A449-V453 PolarHBondContact O-N 3.42Å
450	S	96.1	Very high	93.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-52	-52.4	176.6	-177.6	0	0	0	0	113.6	N338 T446 V452 V453 A454	N338-S450 PolarHBondContact OD1-OG 3.24Å; T446-S450 PolarHBondContact O-N 2.84Å; S450-V452 VanDerWaalsContact C-N 3.27Å; S450-V452 PolarHBondContact O-N 2.6Å; S450-V453 PolarHBondContact O-N 3.24Å; S450-V453 VanDerWaalsContact O-N 3.1Å; S450-A454 PolarHBondContact O-N 3.11Å
451	P	96.4	Very high	94.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-69.7	-21.2	-179.8	24.9	-33.9	0	0	0	114	V286 V289 I290 N338 S340 S447 V448 G455	V286-P451 HydrophobicContact CG1-CB 3.9Å; V286-P451 HydrophobicContact CG1-CG 4.21Å; V286-P451 HydrophobicContact CG2-CG 4.37Å; V289-P451 HydrophobicContact CB-CB 4.08Å; V289-P451 HydrophobicContact CB-CG 4.27Å; V289-P451 HydrophobicContact CG1-CB 4.06Å; V289-P451 HydrophobicContact CG1-CG 4.24Å; I290-P451 HydrophobicContact CD1-CB 4.07Å; I290-P451 HydrophobicContact CG1-CB 3.87Å; I290-P451 WeakPolarHBondContact CG1-O 3.13Å; N338-P451 WeakPolarHBondContact OD1-CA 2.87Å; S340-P451 WeakPolarHBondContact OG-CD 3.19Å; S447-P451 WeakPolarHBondContact O-CD 3.38Å; S447-P451 WeakPolarHBondContact O-CG 3.43Å; V448-P451 VanDerWaalsContact O-CD 3.28Å; V448-P451 WeakPolarHBondContact O-CD 3.46Å; V448-P451 VanDerWaalsContact O-CG 3.28Å; V448-P451 WeakPolarHBondContact O-CG 3.46Å; P451-G455 PolarHBondContact O-N 2.86Å
452	V	96.9	Very high	94.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-62.8	-46.1	169.8	171.8	0	0	0	0	109.6	V226 L230 V289 F299 T426 A449 S450 A456	V226-V452 HydrophobicContact CG1-CG1 3.82Å; V226-V452 HydrophobicContact CG1-CG2 4Å; L230-V452 HydrophobicContact CD1-CG1 3.63Å; V289-V452 HydrophobicContact CG1-CB 4.33Å; V289-V452 HydrophobicContact CG1-CG2 3.6Å; F299-V452 HydrophobicContact CE2-CB 4.26Å; F299-V452 HydrophobicContact CE2-CG1 3.77Å; F299-V452 HydrophobicContact CE2-CG2 4.43Å; F299-V452 HydrophobicContact CZ-CG1 3.71Å; T426-V452 HydrophobicContact CG2-CB 3.85Å; T426-V452 HydrophobicContact CG2-CG1 3.79Å; T426-V452 WeakPolarHBondContact OG1-CG1 3.44Å; A449-V452 WeakPolarHBondContact O-CB 3.41Å; A449-V452 PolarHBondContact O-N 3.13Å; A449-V452 VanDerWaalsContact O-N 3.16Å; S450-V452 VanDerWaalsContact C-N 3.27Å; S450-V452 PolarHBondContact O-N 2.6Å; V452-A456 WeakPolarHBondContact O-CB 3.49Å; V452-A456 PolarHBondContact O-N 2.79Å
453	V	97.9	Very high	94.2	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-69.6	-42.3	175.7	177.5	0	0	0	0	111.1	V366 I389 V391 I424 T426 A449 S450 G455 A456 V457 L479 L499	V366-V453 HydrophobicContact CG1-CB 3.97Å; V366-V453 HydrophobicContact CG1-CG1 3.94Å; I389-V453 HydrophobicContact CG2-CG1 4.12Å; V391-V453 HydrophobicContact CB-CG2 4.29Å; V391-V453 HydrophobicContact CG1-CB 4.47Å; V391-V453 HydrophobicContact CG1-CG2 3.56Å; V391-V453 HydrophobicContact CG2-CB 3.83Å; V391-V453 HydrophobicContact CG2-CG1 4.09Å; V391-V453 HydrophobicContact CG2-CG2 3.66Å; I424-V453 HydrophobicContact CD1-CG1 4.04Å; I424-V453 HydrophobicContact CD1-CG2 3.87Å; T426-V453 HydrophobicContact CG2-CG2 3.76Å; A449-V453 PolarHBondContact O-N 3.42Å; S450-V453 PolarHBondContact O-N 3.24Å; S450-V453 VanDerWaalsContact O-N 3.1Å; V453-G455 VanDerWaalsContact C-N 3.34Å; V453-G455 PolarHBondContact O-N 3.12Å; V453-A456 WeakPolarHBondContact O-CB 3.44Å; V453-A456 PolarHBondContact O-N 3.29Å; V453-V457 HydrophobicContact CG1-CG2 4.1Å; V453-V457 WeakPolarHBondContact O-CB 3.36Å; V453-V457 VanDerWaalsContact O-CG2 3.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.42Å; V453-V457 PolarHBondContact O-N 3.26Å; V453-L479 HydrophobicContact CG1-CD1 4.26Å; V453-L499 HydrophobicContact CG2-CD2 4.35Å
454	A	97.8	Very high	94.1	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-58.9	-45.6	177.6	0	0	0	0	0	111.6	I290 V336 N338 V366 S450 A456 V457 T458	I290-A454 HydrophobicContact CD1-CB 4.08Å; I290-A454 HydrophobicContact CG1-CB 4.26Å; V336-A454 HydrophobicContact CG1-CB 4.48Å; N338-A454 HydrophobicContact CB-CB 3.74Å; V366-A454 HydrophobicContact CB-CB 4.2Å; V366-A454 HydrophobicContact CG1-CB 4.4Å; V366-A454 HydrophobicContact CG2-CB 4.3Å; S450-A454 PolarHBondContact O-N 3.11Å; A454-A456 PolarHBondContact O-N 3.16Å; A454-V457 PolarHBondContact O-N 3.26Å; A454-T458 PolarHBondContact O-N 3.06Å; A454-T458 PolarHBondContact O-OG1 2.98Å
455	G	96.8	Very high	93.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-40.7	175.1	0	0	0	0	0	113.2	F299 P451 V453 T458 L459	F299-G455 WeakPolarHBondContact CB-O 3.4Å; P451-G455 PolarHBondContact O-N 2.86Å; V453-G455 VanDerWaalsContact C-N 3.34Å; V453-G455 PolarHBondContact O-N 3.12Å; G455-T458 PolarHBondContact O-N 2.91Å; G455-L459 WeakPolarHBondContact O-CB 3.47Å; G455-L459 PolarHBondContact O-N 2.91Å
456	A	97.2	Very high	92.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-44.7	173.2	0	0	0	0	0	112	F299 V452 V453 A454 L459 L460 L499 L501	F299-A456 HydrophobicContact CD1-CB 4.26Å; F299-A456 HydrophobicContact CE1-CB 4.43Å; V452-A456 WeakPolarHBondContact O-CB 3.49Å; V452-A456 PolarHBondContact O-N 2.79Å; V453-A456 WeakPolarHBondContact O-CB 3.44Å; V453-A456 PolarHBondContact O-N 3.29Å; A454-A456 PolarHBondContact O-N 3.16Å; A456-L459 PolarHBondContact O-N 3.47Å; A456-L460 WeakPolarHBondContact O-CB 3.46Å; A456-L460 VanDerWaalsContact O-CG 3.24Å; A456-L460 WeakPolarHBondContact O-CG 3.48Å; A456-L460 PolarHBondContact O-N 3.23Å; A456-L499 HydrophobicContact CB-CD2 3.8Å; A456-L501 HydrophobicContact CB-CD1 3.96Å
457	V	97.3	Very high	92.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-43.8	176.3	166.5	0	0	0	0	111	V336 I364 I389 V453 A454 L459 L460 A461 M475 L479	V336-V457 HydrophobicContact CG1-CG1 4.13Å; V336-V457 HydrophobicContact CG2-CG1 3.82Å; I364-V457 HydrophobicContact CB-CG1 4.46Å; I364-V457 HydrophobicContact CD1-CG1 4.17Å; I364-V457 HydrophobicContact CG2-CG1 3.93Å; I389-V457 HydrophobicContact CD1-CG2 4.49Å; V453-V457 HydrophobicContact CG1-CG2 4.1Å; V453-V457 WeakPolarHBondContact O-CB 3.36Å; V453-V457 VanDerWaalsContact O-CG2 3.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.42Å; V453-V457 PolarHBondContact O-N 3.26Å; A454-V457 PolarHBondContact O-N 3.26Å; V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 PolarHBondContact O-N 2.91Å; V457-L460 PolarHBondContact O-N 3.3Å; V457-A461 VanDerWaalsContact O-CB 3.29Å; V457-A461 WeakPolarHBondContact O-CB 3.5Å; V457-A461 PolarHBondContact O-N 3.4Å; V457-M475 HydrophobicContact CB-CG 4.48Å; V457-M475 HydrophobicContact CB-SD 4.44Å; V457-M475 HydrophobicContact CG1-CE 4.18Å; V457-M475 HydrophobicContact CG1-CG 3.85Å; V457-M475 HydrophobicContact CG1-SD 4.1Å; V457-M475 HydrophobicContact CG2-CG 3.93Å; V457-M475 HydrophobicContact CG2-SD 4.09Å; V457-L479 HydrophobicContact CG2-CD1 3.84Å
458	T	96.9	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-45.6	174.5	-56.7	0	0	0	0	111.4	V245 V247 A300 A454 G455 A461 S462	V245-T458 HydrophobicContact CB-CG2 3.82Å; V245-T458 HydrophobicContact CG1-CG2 3.77Å; V245-T458 HydrophobicContact CG2-CG2 4.38Å; V247-T458 HydrophobicContact CG2-CG2 3.26Å; V247-T458 WeakPolarHBondContact CG2-OG1 3.45Å; A300-T458 HydrophobicContact CB-CG2 3.46Å; A300-T458 VanDerWaalsContact CB-CG2 3.46Å; A454-T458 PolarHBondContact O-N 3.06Å; A454-T458 PolarHBondContact O-OG1 2.98Å; G455-T458 PolarHBondContact O-N 2.91Å; T458-A461 PolarHBondContact O-N 3.1Å; T458-S462 PolarHBondContact O-N 3.38Å
459	L	96.1	Very high	91	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-47.4	177.5	-178.6	60	0	0	0	110.9	A232 L235 H240 A300 G455 A456 V457 S462 T463 L501	A232-L459 HydrophobicContact CB-CD2 3.84Å; L235-L459 HydrophobicContact CB-CD1 4.42Å; L235-L459 HydrophobicContact CB-CD2 4.16Å; L235-L459 HydrophobicContact CB-CG 4.37Å; L235-L459 HydrophobicContact CD1-CD2 3.82Å; L235-L459 HydrophobicContact CD1-CG 3.91Å; H240-L459 HydrophobicContact CB-CD1 4.4Å; H240-L459 VanDerWaalsContact O-CD1 3.24Å; H240-L459 WeakPolarHBondContact O-CD1 3.27Å; A300-L459 HydrophobicContact CB-CB 4.49Å; G455-L459 WeakPolarHBondContact O-CB 3.47Å; G455-L459 PolarHBondContact O-N 2.91Å; A456-L459 PolarHBondContact O-N 3.47Å; V457-L459 VanDerWaalsContact C-N 3.34Å; V457-L459 PolarHBondContact O-N 2.91Å; L459-S462 WeakPolarHBondContact O-CB 3.4Å; L459-S462 PolarHBondContact O-N 2.68Å; L459-S462 VanDerWaalsContact O-N 3.17Å; L459-S462 PolarHBondContact O-OG 2.65Å; L459-T463 WeakPolarHBondContact O-CG2 3.4Å; L459-T463 PolarHBondContact O-N 3.49Å; L459-L501 HydrophobicContact CD2-CD2 4.06Å
460	L	95.6	Very high	90.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-44.1	177.3	-72.7	173	0	0	0	112.5	L235 A456 V457 S462 T463 M475 L479 L501 A504 L508	L235-L460 HydrophobicContact CD1-CD2 4.41Å; A456-L460 WeakPolarHBondContact O-CB 3.46Å; A456-L460 VanDerWaalsContact O-CG 3.24Å; A456-L460 WeakPolarHBondContact O-CG 3.48Å; A456-L460 PolarHBondContact O-N 3.23Å; V457-L460 PolarHBondContact O-N 3.3Å; L460-S462 PolarHBondContact O-N 3.04Å; L460-T463 WeakPolarHBondContact O-CB 3.32Å; L460-T463 PolarHBondContact O-N 2.88Å; L460-T463 PolarHBondContact O-OG1 3.41Å; L460-M475 HydrophobicContact CB-CE 4.2Å; L460-M475 HydrophobicContact CB-SD 4.31Å; L460-M475 HydrophobicContact CD1-SD 4.21Å; L460-L479 HydrophobicContact CD1-CD2 4.15Å; L460-L501 HydrophobicContact CD1-CD1 3.99Å; L460-L501 HydrophobicContact CD2-CD1 3.8Å; L460-L501 HydrophobicContact CG-CD1 3.67Å; L460-A504 HydrophobicContact CD1-CB 3.7Å; L460-A504 HydrophobicContact CD2-CB 4.28Å; L460-L508 HydrophobicContact CB-CD1 3.78Å; L460-L508 HydrophobicContact CD1-CD1 4.15Å; L460-L508 HydrophobicContact CD2-CD1 4.23Å; L460-L508 HydrophobicContact CG-CD1 4.28Å
461	A	94.4	Very high	90.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-34.8	176.6	0	0	0	0	0	111.5	V245 V457 T458 T463 R467 V470 M475	V245-A461 HydrophobicContact CG1-CB 4.27Å; V245-A461 HydrophobicContact CG2-CB 4.22Å; V457-A461 VanDerWaalsContact O-CB 3.29Å; V457-A461 WeakPolarHBondContact O-CB 3.5Å; V457-A461 PolarHBondContact O-N 3.4Å; T458-A461 PolarHBondContact O-N 3.1Å; A461-T463 PolarHBondContact O-N 2.93Å; A461-R467 PolarHBondContact O-NE 3.43Å; A461-R467 VanDerWaalsContact O-NE 3.15Å; A461-R467 PolarHBondContact O-NH1 2.7Å; A461-V470 HydrophobicContact CB-CG1 4.32Å; A461-M475 HydrophobicContact CB-CE 4.39Å
462	S	92.9	Very high	90.4	Very high	18 Å²	18	28 Å²	28	13%	0.126	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.4	175.6	80	0	0	0	0	115	H240 G242 T458 L459 L460	H240-S462 PolarHBondContact ND1-O 2.63Å; G242-S462 WeakPolarHBondContact CA-OG 3.44Å; G242-S462 PolarHBondContact N-OG 2.86Å; T458-S462 PolarHBondContact O-N 3.38Å; L459-S462 WeakPolarHBondContact O-CB 3.4Å; L459-S462 PolarHBondContact O-N 2.68Å; L459-S462 VanDerWaalsContact O-N 3.17Å; L459-S462 PolarHBondContact O-OG 2.65Å; L460-S462 PolarHBondContact O-N 3.04Å
463	T	89.9	Confident	90.3	Very high	9 Å²	9	28 Å²	28	6%	0.055	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.5	179.9	72.4	0	0	0	0	113.6	H240 L459 L460 A461 Y505	H240-T463 HydrophobicContact CB-CG2 3.9Å; L459-T463 WeakPolarHBondContact O-CG2 3.4Å; L459-T463 PolarHBondContact O-N 3.49Å; L460-T463 WeakPolarHBondContact O-CB 3.32Å; L460-T463 PolarHBondContact O-N 2.88Å; L460-T463 PolarHBondContact O-OG1 3.41Å; A461-T463 PolarHBondContact O-N 2.93Å; T463-Y505 HydrophobicContact CG2-CD2 3.79Å; T463-Y505 HydrophobicContact CG2-CE2 4.01Å; T463-Y505 WeakPolarHBondContact OG1-CD2 3.36Å
464	V	85.8	Confident	90.1	Very high	19 Å²	19	28 Å²	28	12%	0.115	14%	0.142	C	C	.	.			trans	-88.2	122.7	-173.6	-173.7	0	0	0	0	109.9	N466 R467 V470 L508	V464-N466 VanDerWaalsContact CG1-O 3.31Å; V464-N466 WeakPolarHBondContact CG1-O 3.34Å; V464-R467 WeakPolarHBondContact O-CD 3.29Å; V464-R467 PolarHBondContact O-NE 3.09Å; V464-V470 HydrophobicContact CB-CG2 3.77Å; V464-V470 HydrophobicContact CG1-CG2 3.91Å; V464-V470 HydrophobicContact CG2-CG2 3.81Å; V464-L508 HydrophobicContact CG2-CB 4.21Å
465	L	77	Confident	90.1	Very high	178 Å²	178	28 Å²	28	93%	0.932	14%	0.142	S	C	*	.	S	Bend	trans	-68.5	-42.6	179.1	-67.4	172.3	0	0	0	112.1	R467	L465-R467 PolarHBondContact O-N 3.15Å
466	N	79.3	Confident	90	Very high	77 Å²	77	28.3 Å²	28.3	41%	0.412	14%	0.143	S	C	.	.			trans	-92	95.2	174.7	-171.4	-5	0	0	0	110.7	V464 E468 L469	V464-N466 VanDerWaalsContact CG1-O 3.31Å; V464-N466 WeakPolarHBondContact CG1-O 3.34Å; N466-E468 PolarHBondContact O-N 3.41Å; N466-E468 WeakPolarHBondContact OD1-CB 3.43Å; N466-E468 PolarHBondContact OD1-N 3.31Å; N466-E468 VanDerWaalsContact OD1-N 3.15Å; N466-L469 HydrophobicContact CB-CD1 4.05Å; N466-L469 HydrophobicContact CB-CG 4.25Å; N466-L469 PolarHBondContact O-N 2.92Å
467	R	77.7	Confident	90	Very high	84 Å²	84	28.7 Å²	28.7	32%	0.317	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-64.3	-22.3	-178.5	-65.4	-55.3	-164.2	109.9	8.6	113.9	G244 V245 A461 V464 L465 L469 V470	G244-R467 PolarHBondContact O-NH2 3.03Å; V245-R467 VanDerWaalsContact CG2-NH2 3.34Å; A461-R467 PolarHBondContact O-NE 3.43Å; A461-R467 VanDerWaalsContact O-NE 3.15Å; A461-R467 PolarHBondContact O-NH1 2.7Å; V464-R467 WeakPolarHBondContact O-CD 3.29Å; V464-R467 PolarHBondContact O-NE 3.09Å; L465-R467 PolarHBondContact O-N 3.15Å; R467-L469 PolarHBondContact O-N 3.29Å; R467-V470 PolarHBondContact O-N 3.38Å
468	E	74.4	Confident	89.9	Confident	118 Å²	118	28.7 Å²	28.7	55%	0.551	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-67.6	-23	-179.8	-61.2	178.1	165.9	0	0	112.5	N466 V470	N466-E468 PolarHBondContact O-N 3.41Å; N466-E468 WeakPolarHBondContact OD1-CB 3.43Å; N466-E468 PolarHBondContact OD1-N 3.31Å; N466-E468 VanDerWaalsContact OD1-N 3.15Å; E468-V470 VanDerWaalsContact C-N 3.29Å
469	L	79	Confident	89.8	Confident	57 Å²	57	28.8 Å²	28.8	30%	0.298	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-76.1	-17.7	174.6	-61.2	176.6	0	0	0	113	N466 R467 N471 S474 P513	N466-L469 HydrophobicContact CB-CD1 4.05Å; N466-L469 HydrophobicContact CB-CG 4.25Å; N466-L469 PolarHBondContact O-N 2.92Å; R467-L469 PolarHBondContact O-N 3.29Å; L469-N471 PolarHBondContact O-N 2.79Å; L469-S474 WeakPolarHBondContact O-CB 3.32Å; L469-S474 PolarHBondContact O-OG 3Å; L469-P513 HydrophobicContact CD2-CG 3.67Å
470	V	88.3	Confident	89.8	Confident	17 Å²	17	29.6 Å²	29.6	10%	0.103	15%	0.15	C	C	.	.			trans	-91.2	106	-178.5	-179.6	0	0	0	0	108.4	I364 A461 V464 R467 E468 M475	I364-V470 HydrophobicContact CD1-CG1 3.79Å; A461-V470 HydrophobicContact CB-CG1 4.32Å; V464-V470 HydrophobicContact CB-CG2 3.77Å; V464-V470 HydrophobicContact CG1-CG2 3.91Å; V464-V470 HydrophobicContact CG2-CG2 3.81Å; R467-V470 PolarHBondContact O-N 3.38Å; E468-V470 VanDerWaalsContact C-N 3.29Å; V470-M475 HydrophobicContact CG1-CE 3.77Å
471	N	92.4	Very high	89.7	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.027	17%	0.171	C	C	.	.			trans	-136.4	171.2	178.5	64.4	53.2	0	0	0	109.3	L469 A473 S474 M475 G554 W591	L469-N471 PolarHBondContact O-N 2.79Å; N471-A473 VanDerWaalsContact C-N 3.32Å; N471-A473 PolarHBondContact O-N 3.06Å; N471-A473 PolarHBondContact OD1-N 2.96Å; N471-S474 PolarHBondContact N-OG 2.99Å; N471-S474 PolarHBondContact O-N 3.04Å; N471-S474 PolarHBondContact O-OG 3.12Å; N471-S474 PolarHBondContact OD1-N 2.89Å; N471-S474 PolarHBondContact OD1-OG 3.1Å; N471-M475 WeakPolarHBondContact O-CB 3.47Å; N471-M475 PolarHBondContact O-N 2.98Å; N471-G554 PolarHBondContact ND2-O 2.65Å; N471-W591 HydrophobicContact CB-CH2 3.68Å; N471-W591 HydrophobicContact CB-CZ2 4.08Å; N471-W591 HydrophobicContact CB-CZ3 3.98Å
472	P	95.1	Very high	89.7	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-54.3	-44.2	-178	-30.2	38.4	0	0	0	113.7	V363 I364 K476 W591	V363-P472 WeakPolarHBondContact O-CG 3.45Å; I364-P472 HydrophobicContact CG1-CG 4.36Å; P472-K476 WeakPolarHBondContact O-CB 3.19Å; P472-K476 PolarHBondContact O-N 3.25Å; P472-K476 VanDerWaalsContact O-N 3.07Å; P472-W591 HydrophobicContact CB-CG 4.37Å
473	A	94.7	Very high	89.8	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-50	177	0	0	0	0	0	112.5	N471 M475 K476 Q477 N553 W591	N471-A473 VanDerWaalsContact C-N 3.32Å; N471-A473 PolarHBondContact O-N 3.06Å; N471-A473 PolarHBondContact OD1-N 2.96Å; A473-M475 VanDerWaalsContact C-N 3.32Å; A473-M475 PolarHBondContact O-N 2.85Å; A473-K476 PolarHBondContact O-N 2.82Å; A473-K476 VanDerWaalsContact O-N 3.15Å; A473-Q477 WeakPolarHBondContact O-CB 3.3Å; A473-Q477 WeakPolarHBondContact O-CG 3.44Å; A473-Q477 PolarHBondContact O-N 3.05Å; A473-N553 WeakPolarHBondContact CB-O 3.33Å; A473-W591 HydrophobicContact CB-CB 3.83Å; A473-W591 HydrophobicContact CB-CD2 4.45Å; A473-W591 HydrophobicContact CB-CE3 4.14Å; A473-W591 HydrophobicContact CB-CG 4.37Å
474	S	94.4	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-40.2	-175.8	65.5	0	0	0	0	112.3	L469 N471 Q477 A478 Y511	L469-S474 WeakPolarHBondContact O-CB 3.32Å; L469-S474 PolarHBondContact O-OG 3Å; N471-S474 PolarHBondContact N-OG 2.99Å; N471-S474 PolarHBondContact O-N 3.04Å; N471-S474 PolarHBondContact O-OG 3.12Å; N471-S474 PolarHBondContact OD1-N 2.89Å; N471-S474 PolarHBondContact OD1-OG 3.1Å; S474-Q477 PolarHBondContact O-N 3.14Å; S474-A478 PolarHBondContact O-N 2.78Å; S474-Y511 WeakPolarHBondContact CB-OH 3.42Å
475	M	96.3	Very high	90.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-48.1	173.6	-174.4	61.1	62.5	0	0	110.9	I364 I389 V457 L460 A461 V470 N471 A473 Q477 A478 L479 L508	I364-M475 HydrophobicContact CD1-CB 3.87Å; I364-M475 HydrophobicContact CD1-CE 4.25Å; I364-M475 HydrophobicContact CD1-CG 4.11Å; I364-M475 HydrophobicContact CG2-CB 4.47Å; I364-M475 HydrophobicContact CG2-CG 4.29Å; I389-M475 HydrophobicContact CD1-CG 4.36Å; V457-M475 HydrophobicContact CB-CG 4.48Å; V457-M475 HydrophobicContact CB-SD 4.44Å; V457-M475 HydrophobicContact CG1-CE 4.18Å; V457-M475 HydrophobicContact CG1-CG 3.85Å; V457-M475 HydrophobicContact CG1-SD 4.1Å; V457-M475 HydrophobicContact CG2-CG 3.93Å; V457-M475 HydrophobicContact CG2-SD 4.09Å; L460-M475 HydrophobicContact CB-CE 4.2Å; L460-M475 HydrophobicContact CB-SD 4.31Å; L460-M475 HydrophobicContact CD1-SD 4.21Å; A461-M475 HydrophobicContact CB-CE 4.39Å; V470-M475 HydrophobicContact CG1-CE 3.77Å; N471-M475 WeakPolarHBondContact O-CB 3.47Å; N471-M475 PolarHBondContact O-N 2.98Å; A473-M475 VanDerWaalsContact C-N 3.32Å; A473-M475 PolarHBondContact O-N 2.85Å; M475-Q477 VanDerWaalsContact C-N 3.34Å; M475-Q477 PolarHBondContact O-N 3.36Å; M475-A478 PolarHBondContact O-N 2.96Å; M475-L479 HydrophobicContact CG-CD1 4.31Å; M475-L479 WeakPolarHBondContact O-CG 3.45Å; M475-L479 PolarHBondContact O-N 3.45Å; M475-L508 HydrophobicContact CE-CD1 3.85Å; M475-L508 HydrophobicContact SD-CD1 3.87Å
476	K	96.3	Very high	91.1	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-44.2	178.1	-173.4	165.8	-174.8	163.8	0	111.9	M386 V388 I389 D423 P472 A473 A478 L479 I480 L552	M386-K476 PolarHBondContact O-NZ 2.88Å; V388-K476 PolarHBondContact O-NZ 3.18Å; I389-K476 HydrophobicContact CG1-CB 4.2Å; I389-K476 HydrophobicContact CG1-CD 4.31Å; I389-K476 HydrophobicContact CG1-CG 4.28Å; D423-K476 WeakPolarHBondContact OD1-CE 3.23Å; D423-K476 IonicContact OD1-NZ 3.71Å; D423-K476 PolarHBondContact OD1-NZ 3.09Å; D423-K476 WeakPolarHBondContact OD2-CE 3.4Å; D423-K476 IonicContact OD2-NZ 3.01Å; D423-K476 PolarHBondContact OD2-NZ 2.97Å; P472-K476 WeakPolarHBondContact O-CB 3.19Å; P472-K476 PolarHBondContact O-N 3.25Å; P472-K476 VanDerWaalsContact O-N 3.07Å; A473-K476 PolarHBondContact O-N 2.82Å; A473-K476 VanDerWaalsContact O-N 3.15Å; K476-A478 PolarHBondContact O-N 3.1Å; K476-L479 PolarHBondContact O-N 3.39Å; K476-I480 WeakPolarHBondContact O-CG1 3.39Å; K476-I480 WeakPolarHBondContact O-CG2 3.5Å; K476-I480 PolarHBondContact O-N 2.78Å; K476-L552 HydrophobicContact CD-CD1 4.41Å; K476-L552 HydrophobicContact CD-CD2 4.25Å; K476-L552 HydrophobicContact CG-CD1 4.18Å
477	Q	95.4	Very high	91.6	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-44.5	175.2	-72.4	-176.4	-13.5	0	0	112.1	A473 S474 M475 I480 A481 Y511 Q514 S516 L552	A473-Q477 WeakPolarHBondContact O-CB 3.3Å; A473-Q477 WeakPolarHBondContact O-CG 3.44Å; A473-Q477 PolarHBondContact O-N 3.05Å; S474-Q477 PolarHBondContact O-N 3.14Å; M475-Q477 VanDerWaalsContact C-N 3.34Å; M475-Q477 PolarHBondContact O-N 3.36Å; Q477-I480 WeakPolarHBondContact O-CG1 3.4Å; Q477-A481 WeakPolarHBondContact O-CB 3.44Å; Q477-A481 PolarHBondContact O-N 3.14Å; Q477-Y511 VanDerWaalsContact OE1-CE2 3.29Å; Q477-Y511 PolarHBondContact OE1-OH 2.67Å; Q477-Q514 PolarHBondContact NE2-O 2.6Å; Q477-Q514 PolarHBondContact OE1-O 3.07Å; Q477-S516 WeakPolarHBondContact CG-OG 3.49Å; Q477-S516 PolarHBondContact NE2-OG 3.07Å; Q477-L552 HydrophobicContact CG-CB 3.98Å; Q477-L552 HydrophobicContact CG-CD1 4.01Å; Q477-L552 PolarHBondContact NE2-O 3.34Å
478	A	95.3	Very high	92.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177.3	0	0	0	0	0	112.3	S474 M475 K476 S482 I507 L508	S474-A478 PolarHBondContact O-N 2.78Å; M475-A478 PolarHBondContact O-N 2.96Å; K476-A478 PolarHBondContact O-N 3.1Å; A478-S482 VanDerWaalsContact O-CB 3.26Å; A478-S482 WeakPolarHBondContact O-CB 3.22Å; A478-S482 PolarHBondContact O-N 2.96Å; A478-S482 PolarHBondContact O-OG 2.87Å; A478-I507 HydrophobicContact CB-CB 4.48Å; A478-I507 HydrophobicContact CB-CG2 4.03Å; A478-L508 HydrophobicContact CB-CD1 4.26Å; A478-L508 HydrophobicContact CB-CD2 3.59Å; A478-L508 HydrophobicContact CB-CG 3.57Å
479	L	96.6	Very high	93.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-47.3	178.1	-67.4	175.2	0	0	0	112.1	I389 I424 V453 V457 L460 M475 K476 S482 A483 L499 A504	I389-L479 HydrophobicContact CD1-CD1 3.85Å; I389-L479 HydrophobicContact CG2-CD1 4.19Å; I424-L479 HydrophobicContact CD1-CB 4.38Å; I424-L479 HydrophobicContact CD1-CD1 4.35Å; V453-L479 HydrophobicContact CG1-CD1 4.26Å; V457-L479 HydrophobicContact CG2-CD1 3.84Å; L460-L479 HydrophobicContact CD1-CD2 4.15Å; M475-L479 HydrophobicContact CG-CD1 4.31Å; M475-L479 WeakPolarHBondContact O-CG 3.45Å; M475-L479 PolarHBondContact O-N 3.45Å; K476-L479 PolarHBondContact O-N 3.39Å; L479-S482 PolarHBondContact O-N 3.24Å; L479-S482 PolarHBondContact O-OG 3.48Å; L479-A483 WeakPolarHBondContact O-CB 3.12Å; L479-A483 PolarHBondContact O-N 3.45Å; L479-L499 HydrophobicContact CD2-CD1 3.59Å; L479-A504 HydrophobicContact CD2-CB 4.35Å
480	I	95.3	Very high	93.9	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-36.3	-179.7	67.3	178.2	0	0	0	112.1	D423 I424 K476 Q477 S482 H496 L552	D423-I480 HydrophobicContact CB-CG2 4.48Å; I424-I480 HydrophobicContact CG2-CG2 4.43Å; K476-I480 WeakPolarHBondContact O-CG1 3.39Å; K476-I480 WeakPolarHBondContact O-CG2 3.5Å; K476-I480 PolarHBondContact O-N 2.78Å; Q477-I480 WeakPolarHBondContact O-CG1 3.4Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-H496 HydrophobicContact CB-CB 4.08Å; I480-H496 HydrophobicContact CG2-CB 4.46Å; I480-L552 HydrophobicContact CD1-CD1 3.57Å
481	A	93.2	Very high	94.3	Very high	55 Å²	55	21.9 Å²	21.9	46%	0.455	14%	0.138	S	C	.	.	H	α-helix	trans	-75.4	-24.2	-179.7	0	0	0	0	0	112.9	Q477 I507	Q477-A481 WeakPolarHBondContact O-CB 3.44Å; Q477-A481 PolarHBondContact O-N 3.14Å; A481-I507 HydrophobicContact CB-CD1 3.83Å
482	S	93.8	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-88.7	-25.7	175.6	54.5	0	0	0	0	113.6	A478 L479 I480 R503 A504	A478-S482 VanDerWaalsContact O-CB 3.26Å; A478-S482 WeakPolarHBondContact O-CB 3.22Å; A478-S482 PolarHBondContact O-N 2.96Å; A478-S482 PolarHBondContact O-OG 2.87Å; L479-S482 PolarHBondContact O-N 3.24Å; L479-S482 PolarHBondContact O-OG 3.48Å; I480-S482 VanDerWaalsContact C-N 3.34Å; S482-R503 WeakPolarHBondContact O-CD 3.08Å; S482-A504 VanDerWaalsContact CB-N 3.32Å; S482-A504 WeakPolarHBondContact OG-CB 3.23Å
483	A	94.8	Very high	94.4	Very high	6 Å²	6	22.7 Å²	22.7	5%	0.05	14%	0.142	C	C	.	.			trans	-50.9	139.1	-174.1	0	0	0	0	0	113.6	I424 L479 H496 K498 Q983	I424-A483 HydrophobicContact CG2-CB 3.99Å; L479-A483 WeakPolarHBondContact O-CB 3.12Å; L479-A483 PolarHBondContact O-N 3.45Å; A483-H496 HydrophobicContact CB-CB 3.89Å; A483-H496 WeakPolarHBondContact CB-O 3.34Å; A483-K498 CarbonylContact C-O 3.49Å; A483-K498 WeakPolarHBondContact CA-O 3.48Å; A483-Q983 PolarHBondContact O-NE2 2.94Å
484	R	93.7	Very high	94.4	Very high	96 Å²	96	22.7 Å²	22.7	36%	0.362	14%	0.141	S	C	.	.	B	Isolated β-bridge	trans	-97.9	114.2	179.4	178.2	178.9	166.6	-170.4	-7.4	110.1	L486 G497 K498	R484-L486 PolarHBondContact O-N 3.25Å; R484-G497 CarbonylContact O-C 3.59Å; R484-G497 WeakPolarHBondContact O-CA 3.39Å; R484-K498 PolarHBondContact N-O 3.02Å; R484-K498 PolarHBondContact O-N 2.82Å
485	R	92.7	Very high	94.5	Very high	37 Å²	37	22.7 Å²	22.7	14%	0.14	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-59.9	137.3	176.9	-65.3	-172.4	-176.7	173.2	-0.9	113.2	Q494 Y521 E526 Y529 W980	R485-Q494 VanDerWaalsContact CA-OE1 3.32Å; R485-Y521 VanDerWaalsContact CZ-OH 3.22Å; R485-Y521 PolarHBondContact NH1-OH 2.83Å; R485-Y521 VanDerWaalsContact NH2-CE1 3.31Å; R485-Y521 PolarHBondContact NH2-OH 2.85Å; R485-E526 IonicContact NH1-OE1 2.83Å; R485-E526 PolarHBondContact NH1-OE1 2.94Å; R485-E526 IonicContact NH1-OE2 2.86Å; R485-Y529 HydrophobicContact CG-CE2 4.12Å; R485-Y529 VanDerWaalsContact NE-CZ 3.3Å; R485-Y529 PolarHBondContact NE-OH 3.43Å; R485-Y529 PolarHBondContact NH2-OH 3.41Å; R485-W980 HydrophobicContact CB-CZ2 4.17Å; R485-W980 HydrophobicContact CG-CZ2 4.12Å; R485-W980 VanDerWaalsContact CZ-NE1 3.28Å; R485-W980 VanDerWaalsContact NH2-CD1 3.32Å
486	L	93.8	Very high	94.4	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.047	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-83.4	132.6	169.3	-57.9	179.5	0	0	0	109.3	I394 D398 I400 V425 R484 V489 Q494 K498	I394-L486 HydrophobicContact CG2-CD1 4Å; D398-L486 HydrophobicContact CB-CD2 3.93Å; I400-L486 HydrophobicContact CD1-CD1 3.83Å; V425-L486 HydrophobicContact CG2-CD1 3.9Å; R484-L486 PolarHBondContact O-N 3.25Å; L486-V489 HydrophobicContact CB-CB 4.3Å; L486-V489 HydrophobicContact CB-CG2 4.16Å; L486-Q494 HydrophobicContact CD1-CB 4.42Å; L486-Q494 PolarHBondContact O-NE2 3.15Å; L486-K498 HydrophobicContact CD2-CB 4.15Å
487	P	90.9	Very high	94.4	Very high	120 Å²	120	23.2 Å²	23.2	78%	0.779	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	140.3	180	29.8	-34.1	0	0	0	110.9	V489	P487-V489 VanDerWaalsContact C-N 3.27Å; P487-V489 PolarHBondContact O-N 3.05Å
488	G	90.4	Very high	94.4	Very high	66 Å²	66	23.8 Å²	23.8	68%	0.68	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.8	173.9	0	0	0	0	0	115.8
489	V	94.6	Very high	94.5	Very high	21 Å²	21	24 Å²	24	13%	0.127	15%	0.147	C	C	.	.			trans	-112.7	142.6	-178.3	-179.1	0	0	0	0	109.9	I400 L486 P487 E493 Q494	I400-V489 HydrophobicContact CD1-CG1 4.04Å; I400-V489 HydrophobicContact CG1-CG1 3.66Å; I400-V489 HydrophobicContact CG1-CG2 4.2Å; L486-V489 HydrophobicContact CB-CB 4.3Å; L486-V489 HydrophobicContact CB-CG2 4.16Å; P487-V489 VanDerWaalsContact C-N 3.27Å; P487-V489 PolarHBondContact O-N 3.05Å; V489-E493 HydrophobicContact CG1-CB 3.58Å; V489-E493 HydrophobicContact CG1-CG 4.49Å; V489-Q494 HydrophobicContact CB-CB 4.5Å; V489-Q494 HydrophobicContact CB-CG 4.49Å; V489-Q494 HydrophobicContact CG1-CB 3.74Å; V489-Q494 HydrophobicContact CG1-CG 4.02Å; V489-Q494 PolarHBondContact O-NE2 3.1Å
490	N	95.1	Very high	94.4	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.032	16%	0.156	C	C	.	.			trans	-90	163.1	-179.7	72.6	70.4	0	0	0	113.2	Y376 F492 E493 Q494 P528 W531	Y376-N490 PolarHBondContact OH-ND2 3.31Å; N490-F492 PolarHBondContact O-N 3.22Å; N490-F492 WeakPolarHBondContact OD1-CA 3.35Å; N490-F492 WeakPolarHBondContact OD1-CB 3.48Å; N490-F492 PolarHBondContact OD1-N 3.38Å; N490-E493 PolarHBondContact ND2-OE2 2.98Å; N490-E493 PolarHBondContact O-N 2.72Å; N490-E493 PolarHBondContact OD1-N 3.36Å; N490-Q494 WeakPolarHBondContact O-CG 3.42Å; N490-Q494 PolarHBondContact O-N 3.33Å; N490-Q494 VanDerWaalsContact O-N 3.08Å; N490-P528 WeakPolarHBondContact CB-O 3.48Å; N490-W531 HydrophobicContact CB-CB 3.99Å
491	M	95.3	Very high	94.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-24	-176.1	68.2	-175.1	156.9	0	0	114.5	V420 E493 G495 Y529 M530 Y533	V420-M491 HydrophobicContact CG1-CB 4.32Å; V420-M491 HydrophobicContact CG1-CG 4.38Å; V420-M491 HydrophobicContact CG2-CG 4.21Å; V420-M491 HydrophobicContact CG2-SD 3.81Å; M491-E493 PolarHBondContact O-N 3.26Å; M491-G495 WeakPolarHBondContact O-CA 3.18Å; M491-G495 PolarHBondContact O-N 2.92Å; M491-Y529 HydrophobicContact CB-CD2 4.45Å; M491-Y529 HydrophobicContact CB-CE1 4.18Å; M491-Y529 HydrophobicContact CB-CE2 4.04Å; M491-Y529 WeakPolarHBondContact CB-O 3.31Å; M491-Y529 WeakPolarHBondContact CG-O 3.4Å; M491-Y529 PolarHBondContact N-O 2.75Å; M491-M530 HydrophobicContact CE-CG 4.06Å; M491-M530 HydrophobicContact CE-SD 3.5Å; M491-M530 VanDerWaalsContact CE-SD 3.5Å; M491-M530 HydrophobicContact SD-SD 3.84Å; M491-Y533 HydrophobicContact CE-CD2 3.76Å; M491-Y533 HydrophobicContact CE-CE2 3.73Å
492	F	94.4	Very high	94.4	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-81.4	-0.9	175.3	-62.6	-70	0	0	0	113.3	G407 M408 V420 N490 W531 Y533	G407-F492 PolarHBondContact N-O 2.8Å; M408-F492 HydrophobicContact CB-CD1 3.66Å; M408-F492 HydrophobicContact CB-CE1 3.44Å; M408-F492 VanDerWaalsContact CB-CE1 3.44Å; M408-F492 HydrophobicContact CB-CZ 4.17Å; M408-F492 HydrophobicContact CE-CE2 4.48Å; M408-F492 HydrophobicContact CE-CZ 4.44Å; V420-F492 HydrophobicContact CB-CE1 4.34Å; V420-F492 HydrophobicContact CG2-CD1 4.47Å; V420-F492 HydrophobicContact CG2-CE1 3.85Å; V420-F492 HydrophobicContact CG2-CZ 4.22Å; N490-F492 PolarHBondContact O-N 3.22Å; N490-F492 WeakPolarHBondContact OD1-CA 3.35Å; N490-F492 WeakPolarHBondContact OD1-CB 3.48Å; N490-F492 PolarHBondContact OD1-N 3.38Å; F492-W531 HydrophobicContact CD2-CE3 4.41Å; F492-W531 VanDerWaalsContact CD2-O 3.23Å; F492-W531 WeakPolarHBondContact CD2-O 3.4Å; F492-W531 WeakPolarHBondContact CE2-O 3.39Å; F492-Y533 HydrophobicContact CE2-CE2 4.3Å; F492-Y533 HydrophobicContact CZ-CE2 4.24Å
493	E	95.4	Very high	94.3	Very high	25 Å²	25	27 Å²	27	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-110	-45.6	172.5	-61.6	-174.8	130.4	0	0	111.8	Y376 I400 R406 V489 N490 M491	Y376-E493 HydrophobicContact CE1-CG 4.48Å; Y376-E493 WeakPolarHBondContact OH-CG 3.3Å; Y376-E493 PolarHBondContact OH-OE1 2.99Å; I400-E493 HydrophobicContact CG1-CB 4.34Å; R406-E493 HydrophobicContact CB-CG 4.21Å; R406-E493 IonicContact CZ-OE1 2.86Å; R406-E493 IonicContact NH1-OE1 2.95Å; R406-E493 PolarHBondContact NH1-OE1 3.23Å; V489-E493 HydrophobicContact CG1-CB 3.58Å; V489-E493 HydrophobicContact CG1-CG 4.49Å; N490-E493 PolarHBondContact ND2-OE2 2.98Å; N490-E493 PolarHBondContact O-N 2.72Å; N490-E493 PolarHBondContact OD1-N 3.36Å; M491-E493 PolarHBondContact O-N 3.26Å
494	Q	95.4	Very high	94.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-100.6	-8.4	-176	70	175.3	-62	0	0	114.6	I400 V425 R485 L486 V489 N490 H496 G497	I400-Q494 HydrophobicContact CD1-CB 4.17Å; V425-Q494 HydrophobicContact CG2-CB 4.32Å; R485-Q494 VanDerWaalsContact CA-OE1 3.32Å; L486-Q494 HydrophobicContact CD1-CB 4.42Å; L486-Q494 PolarHBondContact O-NE2 3.15Å; V489-Q494 HydrophobicContact CB-CB 4.5Å; V489-Q494 HydrophobicContact CB-CG 4.49Å; V489-Q494 HydrophobicContact CG1-CB 3.74Å; V489-Q494 HydrophobicContact CG1-CG 4.02Å; V489-Q494 PolarHBondContact O-NE2 3.1Å; N490-Q494 WeakPolarHBondContact O-CG 3.42Å; N490-Q494 PolarHBondContact O-N 3.33Å; N490-Q494 VanDerWaalsContact O-N 3.08Å; Q494-H496 PolarHBondContact O-N 3.46Å; Q494-G497 WeakPolarHBondContact O-CA 3.46Å; Q494-G497 PolarHBondContact O-N 3.49Å
495	G	95.9	Very high	94.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-124.4	-165.7	0	0	0	0	0	111.2	P422 M491 G497 Y529	P422-G495 WeakPolarHBondContact O-CA 3.43Å; M491-G495 WeakPolarHBondContact O-CA 3.18Å; M491-G495 PolarHBondContact O-N 2.92Å; G495-G497 VanDerWaalsContact C-N 3.33Å; G495-Y529 PolarHBondContact O-OH 3.41Å
496	H	95.2	Very high	94.3	Very high	17 Å²	17	27 Å²	27	8%	0.079	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.8	175.2	-63.3	76.8	0	0	0	113.3	D423 I480 A483 Q494 S518	D423-H496 PolarHBondContact O-N 3.42Å; D423-H496 PolarHBondContact O-ND1 2.79Å; D423-H496 VanDerWaalsContact O-ND1 3.07Å; I480-H496 HydrophobicContact CB-CB 4.08Å; I480-H496 HydrophobicContact CG2-CB 4.46Å; A483-H496 HydrophobicContact CB-CB 3.89Å; A483-H496 WeakPolarHBondContact CB-O 3.34Å; Q494-H496 PolarHBondContact O-N 3.46Å; H496-S518 PolarHBondContact CE1-OG 2.87Å
497	G	95.3	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.			trans	117.5	-166.6	177	0	0	0	0	0	114	I424 V425 R484 Q494 G495	I424-G497 WeakPolarHBondContact CA-O 3.3Å; V425-G497 PolarHBondContact N-O 3.27Å; R484-G497 CarbonylContact O-C 3.59Å; R484-G497 WeakPolarHBondContact O-CA 3.39Å; Q494-G497 WeakPolarHBondContact O-CA 3.46Å; Q494-G497 PolarHBondContact O-N 3.49Å; G495-G497 VanDerWaalsContact C-N 3.33Å
498	K	96.3	Very high	94.1	Very high	20 Å²	20	23.4 Å²	23.4	9%	0.087	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-69.8	137.6	-179.7	-173.8	171.7	75.6	178.3	0	111.7	I394 D398 V425 Y427 A483 R484 L486 D500	I394-K498 HydrophobicContact CD1-CB 4.45Å; I394-K498 HydrophobicContact CD1-CD 3.44Å; I394-K498 VanDerWaalsContact CD1-CD 3.44Å; I394-K498 HydrophobicContact CD1-CG 3.83Å; D398-K498 WeakPolarHBondContact OD1-CD 3.47Å; D398-K498 IonicContact OD1-NZ 3.18Å; D398-K498 PolarHBondContact OD1-NZ 3.12Å; D398-K498 IonicContact OD2-NZ 2.95Å; D398-K498 PolarHBondContact OD2-NZ 2.84Å; V425-K498 CarbonylContact O-C 3.56Å; V425-K498 VanDerWaalsContact O-CA 3.27Å; V425-K498 WeakPolarHBondContact O-CA 3.4Å; Y427-K498 PolarHBondContact OH-NZ 2.96Å; Y427-K498 VanDerWaalsContact OH-NZ 3.17Å; A483-K498 CarbonylContact C-O 3.49Å; A483-K498 WeakPolarHBondContact CA-O 3.48Å; R484-K498 PolarHBondContact N-O 3.02Å; R484-K498 PolarHBondContact O-N 2.82Å; L486-K498 HydrophobicContact CD2-CB 4.15Å; K498-D500 PolarHBondContact O-N 3.11Å
499	L	96.4	Very high	94	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	12%	0.123	C	C	.	.			trans	-49.8	128.4	172.5	176.6	64.2	0	0	0	112.4	L230 I424 V425 V453 A456 L479	L230-L499 HydrophobicContact CD1-CD2 3.96Å; L230-L499 WeakPolarHBondContact CD2-O 3.44Å; I424-L499 HydrophobicContact CD1-CB 4.44Å; I424-L499 HydrophobicContact CD1-CD1 4.2Å; V425-L499 PolarHBondContact O-N 2.9Å; V453-L499 HydrophobicContact CG2-CD2 4.35Å; A456-L499 HydrophobicContact CB-CD2 3.8Å; L479-L499 HydrophobicContact CD2-CD1 3.59Å
500	D	95.4	Very high	93.7	Very high	39 Å²	39	29 Å²	29	21%	0.209	15%	0.147	C	C	.	.			trans	-121.1	98.8	169.9	-172.6	-33.9	0	0	0	109.5	K498 I502 R503 A504	K498-D500 PolarHBondContact O-N 3.11Å; D500-I502 PolarHBondContact OD1-N 3.41Å; D500-R503 HydrophobicContact CB-CB 4.17Å; D500-R503 WeakPolarHBondContact OD1-CB 3.46Å; D500-R503 PolarHBondContact OD1-N 2.98Å; D500-A504 WeakPolarHBondContact O-CB 3.35Å; D500-A504 PolarHBondContact O-N 2.96Å
501	L	94.5	Very high	93.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-173.4	179	64.4	0	0	0	112.8	L230 A232 L235 A456 L459 L460 A504 Y505	L230-L501 WeakPolarHBondContact O-CB 3.27Å; L230-L501 WeakPolarHBondContact O-CD2 3.02Å; A232-L501 HydrophobicContact CB-CD2 3.84Å; L235-L501 HydrophobicContact CD1-CD1 4.14Å; L235-L501 HydrophobicContact CD1-CD2 4.05Å; L235-L501 HydrophobicContact CD1-CG 3.92Å; A456-L501 HydrophobicContact CB-CD1 3.96Å; L459-L501 HydrophobicContact CD2-CD2 4.06Å; L460-L501 HydrophobicContact CD1-CD1 3.99Å; L460-L501 HydrophobicContact CD2-CD1 3.8Å; L460-L501 HydrophobicContact CG-CD1 3.67Å; L501-A504 PolarHBondContact O-N 2.64Å; L501-Y505 PolarHBondContact O-N 2.92Å
502	I	93.8	Very high	93.1	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.077	19%	0.186	C	C	.	.	H	α-helix	trans	-71.8	-40.3	-174.3	-58.8	-62.2	0	0	0	110.4	Q231 V234 L235 D500 Y505 Q506	Q231-I502 HydrophobicContact CB-CD1 4.11Å; Q231-I502 HydrophobicContact CB-CG1 3.87Å; V234-I502 HydrophobicContact CB-CD1 3.89Å; V234-I502 HydrophobicContact CG1-CD1 4.04Å; V234-I502 HydrophobicContact CG2-CD1 4.49Å; L235-I502 HydrophobicContact CD2-CD1 4.47Å; L235-I502 HydrophobicContact CG-CD1 4.3Å; D500-I502 PolarHBondContact OD1-N 3.41Å; I502-Y505 WeakPolarHBondContact O-CB 3.14Å; I502-Y505 PolarHBondContact O-N 2.96Å; I502-Q506 WeakPolarHBondContact O-CG 3.39Å; I502-Q506 PolarHBondContact O-N 3.03Å; I502-Q506 VanDerWaalsContact O-N 3.07Å
503	R	92	Very high	92.9	Very high	82 Å²	82	41.8 Å²	41.8	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-68.8	-37.4	175.5	-172.2	173.9	179.5	131.7	5.5	111.5	S482 D500 Y505 Q506 I507	S482-R503 WeakPolarHBondContact O-CD 3.08Å; D500-R503 HydrophobicContact CB-CB 4.17Å; D500-R503 WeakPolarHBondContact OD1-CB 3.46Å; D500-R503 PolarHBondContact OD1-N 2.98Å; R503-Y505 VanDerWaalsContact C-N 3.31Å; R503-Y505 PolarHBondContact O-N 2.96Å; R503-Q506 PolarHBondContact O-N 2.95Å; R503-I507 HydrophobicContact CG-CD1 4.36Å; R503-I507 WeakPolarHBondContact O-CG1 3.36Å; R503-I507 PolarHBondContact O-N 3.08Å
504	A	94.3	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-43.7	172.8	0	0	0	0	0	111.4	L460 L479 S482 D500 L501 Q506 I507 L508	L460-A504 HydrophobicContact CD1-CB 3.7Å; L460-A504 HydrophobicContact CD2-CB 4.28Å; L479-A504 HydrophobicContact CD2-CB 4.35Å; S482-A504 VanDerWaalsContact CB-N 3.32Å; S482-A504 WeakPolarHBondContact OG-CB 3.23Å; D500-A504 WeakPolarHBondContact O-CB 3.35Å; D500-A504 PolarHBondContact O-N 2.96Å; L501-A504 PolarHBondContact O-N 2.64Å; A504-Q506 PolarHBondContact O-N 3.02Å; A504-I507 PolarHBondContact O-N 3.38Å; A504-L508 WeakPolarHBondContact O-CB 3.43Å; A504-L508 WeakPolarHBondContact O-CG 3.44Å; A504-L508 PolarHBondContact O-N 2.94Å
505	Y	93.3	Very high	92.6	Very high	41 Å²	41	45.1 Å²	45.1	16%	0.161	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-46.6	174.1	164.8	-109.6	0	0	0	112.5	L235 M238 T463 L501 I502 R503 I507 L508 N509	L235-Y505 HydrophobicContact CD2-CD1 3.92Å; L235-Y505 HydrophobicContact CD2-CD2 4.1Å; L235-Y505 HydrophobicContact CD2-CE1 4.3Å; L235-Y505 HydrophobicContact CD2-CE2 4.48Å; L235-Y505 HydrophobicContact CD2-CG 3.8Å; M238-Y505 HydrophobicContact CE-CE1 4.47Å; M238-Y505 HydrophobicContact SD-CE1 4.17Å; T463-Y505 HydrophobicContact CG2-CD2 3.79Å; T463-Y505 HydrophobicContact CG2-CE2 4.01Å; T463-Y505 WeakPolarHBondContact OG1-CD2 3.36Å; L501-Y505 PolarHBondContact O-N 2.92Å; I502-Y505 WeakPolarHBondContact O-CB 3.14Å; I502-Y505 PolarHBondContact O-N 2.96Å; R503-Y505 VanDerWaalsContact C-N 3.31Å; R503-Y505 PolarHBondContact O-N 2.96Å; Y505-I507 VanDerWaalsContact C-N 3.33Å; Y505-I507 PolarHBondContact O-N 3.43Å; Y505-L508 PolarHBondContact O-N 2.99Å; Y505-N509 WeakPolarHBondContact O-CB 3.39Å; Y505-N509 PolarHBondContact O-N 3.42Å
506	Q	91.8	Very high	92.6	Very high	99 Å²	99	46.3 Å²	46.3	46%	0.463	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-40.2	178.4	-70.1	172.4	-4.5	0	0	112.6	I502 R503 A504 S510	I502-Q506 WeakPolarHBondContact O-CG 3.39Å; I502-Q506 PolarHBondContact O-N 3.03Å; I502-Q506 VanDerWaalsContact O-N 3.07Å; R503-Q506 PolarHBondContact O-N 2.95Å; A504-Q506 PolarHBondContact O-N 3.02Å; Q506-S510 PolarHBondContact O-N 3.32Å; Q506-S510 PolarHBondContact O-OG 2.6Å
507	I	90.9	Very high	92.6	Very high	43 Å²	43	45.9 Å²	45.9	22%	0.221	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-47.5	176.7	-67.4	174.8	0	0	0	109.9	A478 A481 R503 A504 Y505 N509 S510 Y511	A478-I507 HydrophobicContact CB-CB 4.48Å; A478-I507 HydrophobicContact CB-CG2 4.03Å; A481-I507 HydrophobicContact CB-CD1 3.83Å; R503-I507 HydrophobicContact CG-CD1 4.36Å; R503-I507 WeakPolarHBondContact O-CG1 3.36Å; R503-I507 PolarHBondContact O-N 3.08Å; A504-I507 PolarHBondContact O-N 3.38Å; Y505-I507 VanDerWaalsContact C-N 3.33Å; Y505-I507 PolarHBondContact O-N 3.43Å; I507-N509 PolarHBondContact O-N 2.89Å; I507-S510 CarbonylContact O-C 3.6Å; I507-S510 PolarHBondContact O-N 3.34Å; I507-S510 PolarHBondContact O-OG 2.66Å; I507-Y511 WeakPolarHBondContact O-CA 3.32Å; I507-Y511 WeakPolarHBondContact O-CB 3.39Å; I507-Y511 PolarHBondContact O-N 3.1Å
508	L	90.6	Very high	92.6	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-39.9	178.9	-75.9	171.8	0	0	0	112.8	L460 V464 M475 A478 A504 Y505 S510 Y511	L460-L508 HydrophobicContact CB-CD1 3.78Å; L460-L508 HydrophobicContact CD1-CD1 4.15Å; L460-L508 HydrophobicContact CD2-CD1 4.23Å; L460-L508 HydrophobicContact CG-CD1 4.28Å; V464-L508 HydrophobicContact CG2-CB 4.21Å; M475-L508 HydrophobicContact CE-CD1 3.85Å; M475-L508 HydrophobicContact SD-CD1 3.87Å; A478-L508 HydrophobicContact CB-CD1 4.26Å; A478-L508 HydrophobicContact CB-CD2 3.59Å; A478-L508 HydrophobicContact CB-CG 3.57Å; A504-L508 WeakPolarHBondContact O-CB 3.43Å; A504-L508 WeakPolarHBondContact O-CG 3.44Å; A504-L508 PolarHBondContact O-N 2.94Å; Y505-L508 PolarHBondContact O-N 2.99Å; L508-S510 PolarHBondContact O-N 2.82Å; L508-Y511 VanDerWaalsContact O-CB 3.28Å; L508-Y511 WeakPolarHBondContact O-CB 3.26Å; L508-Y511 PolarHBondContact O-N 3.4Å
509	N	87.8	Confident	92.5	Very high	114 Å²	114	45.4 Å²	45.4	61%	0.61	22%	0.223	S	C	*	.	H	α-helix	trans	-67.3	-24.3	179.2	-168.4	51	0	0	0	113.2	Y505 I507	Y505-N509 WeakPolarHBondContact O-CB 3.39Å; Y505-N509 PolarHBondContact O-N 3.42Å; I507-N509 PolarHBondContact O-N 2.89Å
510	S	88.4	Confident	92.3	Very high	91 Å²	91	48.3 Å²	48.3	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	9.6	176.4	58	0	0	0	0	113	Q506 I507 L508	Q506-S510 PolarHBondContact O-N 3.32Å; Q506-S510 PolarHBondContact O-OG 2.6Å; I507-S510 CarbonylContact O-C 3.6Å; I507-S510 PolarHBondContact O-N 3.34Å; I507-S510 PolarHBondContact O-OG 2.66Å; L508-S510 PolarHBondContact O-N 2.82Å
511	Y	89.1	Confident	92.2	Very high	22 Å²	22	46.7 Å²	46.7	9%	0.086	24%	0.235	C	C	.	.			trans	-69.5	136	-171.7	179.5	-98	0	0	0	111	S474 Q477 I507 L508 Q514 G554	S474-Y511 WeakPolarHBondContact CB-OH 3.42Å; Q477-Y511 VanDerWaalsContact OE1-CE2 3.29Å; Q477-Y511 PolarHBondContact OE1-OH 2.67Å; I507-Y511 WeakPolarHBondContact O-CA 3.32Å; I507-Y511 WeakPolarHBondContact O-CB 3.39Å; I507-Y511 PolarHBondContact O-N 3.1Å; L508-Y511 VanDerWaalsContact O-CB 3.28Å; L508-Y511 WeakPolarHBondContact O-CB 3.26Å; L508-Y511 PolarHBondContact O-N 3.4Å; Y511-Q514 HydrophobicContact CE2-CG 4.44Å; Y511-G554 WeakPolarHBondContact OH-CA 3.16Å
512	R	88.5	Confident	92.3	Very high	203 Å²	203	46.6 Å²	46.6	77%	0.766	24%	0.235	S	C	*	.			trans	-119.8	136.1	168.8	-66.2	-173.9	176.8	-169.6	-2	107.8	Q514	R512-Q514 WeakPolarHBondContact O-CG 3.47Å; R512-Q514 PolarHBondContact O-N 3.23Å; R512-Q514 VanDerWaalsContact O-N 3.1Å
513	P	90.1	Very high	92.3	Very high	51 Å²	51	46.5 Å²	46.5	33%	0.331	23%	0.234	S	C	.	.			trans	-51.6	119.3	176.3	-25.5	33.8	0	0	0	110.7	L469 M555	L469-P513 HydrophobicContact CD2-CG 3.67Å; P513-M555 HydrophobicContact CB-CB 4.45Å; P513-M555 HydrophobicContact CB-CG 4.09Å
514	Q	92	Very high	92.5	Very high	92 Å²	92	43 Å²	43	43%	0.43	22%	0.221	S	C	.	.			trans	-152.1	161.3	-176.3	66.3	-175.9	-14.2	0	0	111.5	Q477 Y511 R512 G554	Q477-Q514 PolarHBondContact NE2-O 2.6Å; Q477-Q514 PolarHBondContact OE1-O 3.07Å; Y511-Q514 HydrophobicContact CE2-CG 4.44Å; R512-Q514 WeakPolarHBondContact O-CG 3.47Å; R512-Q514 PolarHBondContact O-N 3.23Å; R512-Q514 VanDerWaalsContact O-N 3.1Å; Q514-G554 WeakPolarHBondContact O-CA 3.19Å; Q514-G554 PolarHBondContact O-N 3.31Å
515	A	94.1	Very high	92.4	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.4	165.8	0	0	0	0	0	110.3	L552 V620 S636 V638	A515-L552 CarbonylContact C-O 3.47Å; A515-L552 VanDerWaalsContact CA-O 3.29Å; A515-L552 WeakPolarHBondContact CA-O 3.31Å; A515-V620 HydrophobicContact CB-CB 3.9Å; A515-V620 HydrophobicContact CB-CG1 4.45Å; A515-V620 HydrophobicContact CB-CG2 3.86Å; A515-S636 PolarHBondContact N-OG 2.67Å; A515-V638 HydrophobicContact CB-CG2 3.75Å; A515-V638 WeakPolarHBondContact O-CG2 2.78Å
516	S	95.2	Very high	92.4	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	169.5	171.1	62.4	0	0	0	0	111	Q477 L552	Q477-S516 WeakPolarHBondContact CG-OG 3.49Å; Q477-S516 PolarHBondContact NE2-OG 3.07Å; S516-L552 PolarHBondContact N-O 3.14Å; S516-L552 PolarHBondContact O-N 3.02Å
517	L	95.3	Very high	92.4	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.1	-173.8	-61.1	176	0	0	0	110.3	P519 S520 V549 T550 I551 L595 V638 L640	L517-P519 CarbonylContact C-O 3.42Å; L517-P519 CarbonylContact O-C 3.54Å; L517-S520 WeakPolarHBondContact O-CA 3.44Å; L517-S520 PolarHBondContact O-N 3.37Å; L517-V549 HydrophobicContact CB-CG1 3.82Å; L517-V549 HydrophobicContact CD2-CG1 4.11Å; L517-V549 HydrophobicContact CG-CG1 4.42Å; L517-T550 WeakPolarHBondContact CA-O 3.18Å; L517-I551 HydrophobicContact CD2-CB 4.31Å; L517-I551 HydrophobicContact CD2-CG1 3.79Å; L517-I551 HydrophobicContact CD2-CG2 4.4Å; L517-L595 HydrophobicContact CD2-CD2 4.33Å; L517-V638 HydrophobicContact CD1-CB 4.3Å; L517-V638 HydrophobicContact CD1-CG1 3.76Å; L517-V638 HydrophobicContact CG-CB 4.36Å; L517-V638 HydrophobicContact CG-CG1 3.77Å; L517-L640 HydrophobicContact CB-CD1 4.48Å; L517-L640 HydrophobicContact CD1-CB 3.62Å; L517-L640 HydrophobicContact CD1-CD1 3.91Å; L517-L640 HydrophobicContact CD1-CG 4.21Å
518	S	94.3	Very high	92.5	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.4	179.3	166.3	0	0	0	0	109.5	H496 T550	H496-S518 PolarHBondContact CE1-OG 2.87Å; S518-T550 PolarHBondContact N-O 3.3Å; S518-T550 PolarHBondContact O-N 3.26Å
519	P	94.3	Very high	92.7	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.032	25%	0.249	C	C	.	.	S	Bend	cis	-67.5	158	-1.9	30.2	-36.3	0	0	0	112.9	L517 Y521	L517-P519 CarbonylContact C-O 3.42Å; L517-P519 CarbonylContact O-C 3.54Å; P519-Y521 VanDerWaalsContact C-N 3.3Å; P519-Y521 PolarHBondContact O-N 2.9Å
520	S	92.5	Very high	93	Very high	66 Å²	66	40 Å²	40	46%	0.462	22%	0.22	S	C	.	.	S	Bend	trans	-79.9	-9	-177.4	58.3	0	0	0	0	114.7	L517 P641	L517-S520 WeakPolarHBondContact O-CA 3.44Å; L517-S520 PolarHBondContact O-N 3.37Å; S520-P641 WeakPolarHBondContact O-CD 3.4Å
521	Y	94.4	Very high	93.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.016	19%	0.194	C	C	.	.			trans	-157.6	164.3	175.3	66.2	-87.9	0	0	0	109.8	R485 P519 D523 E526 M530 L979 W980	R485-Y521 VanDerWaalsContact CZ-OH 3.22Å; R485-Y521 PolarHBondContact NH1-OH 2.83Å; R485-Y521 VanDerWaalsContact NH2-CE1 3.31Å; R485-Y521 PolarHBondContact NH2-OH 2.85Å; P519-Y521 VanDerWaalsContact C-N 3.3Å; P519-Y521 PolarHBondContact O-N 2.9Å; Y521-D523 HydrophobicContact CD2-CB 3.83Å; Y521-D523 HydrophobicContact CE2-CB 3.71Å; Y521-E526 WeakPolarHBondContact CE2-OE2 3.44Å; Y521-E526 PolarHBondContact OH-OE2 2.93Å; Y521-M530 HydrophobicContact CD2-CE 3.92Å; Y521-M530 HydrophobicContact CE2-CE 3.53Å; Y521-L979 HydrophobicContact CD2-CB 4.12Å; Y521-L979 HydrophobicContact CD2-CD1 4.25Å; Y521-L979 HydrophobicContact CG-CB 4.19Å; Y521-W980 HydrophobicContact CE1-CB 3.94Å; Y521-W980 HydrophobicContact CE1-CG 4.49Å
522	I	95.4	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.8	174.5	-59.1	173.5	0	0	0	107.6	L524 V547 V549 V597 I599 L640 P641 I642 K643	I522-L524 HydrophobicContact CG2-CD2 3.62Å; I522-L524 HydrophobicContact CG2-CG 4.26Å; I522-V547 HydrophobicContact CD1-CB 3.84Å; I522-V547 HydrophobicContact CD1-CG1 3.89Å; I522-V547 HydrophobicContact CD1-CG2 4.29Å; I522-V547 HydrophobicContact CG1-CB 4.47Å; I522-V547 HydrophobicContact CG1-CG1 4.07Å; I522-V547 HydrophobicContact CG2-CG2 4.13Å; I522-V549 HydrophobicContact CD1-CG2 4.29Å; I522-V597 HydrophobicContact CD1-CB 4.1Å; I522-V597 HydrophobicContact CD1-CG1 4.29Å; I522-V597 HydrophobicContact CD1-CG2 4.26Å; I522-I599 HydrophobicContact CG2-CD1 4.23Å; I522-L640 HydrophobicContact CD1-CD2 3.89Å; I522-L640 HydrophobicContact CD1-CG 4.45Å; I522-L640 HydrophobicContact CG1-CD1 4.42Å; I522-L640 HydrophobicContact CG1-CD2 4.43Å; I522-P641 PolarHBondContact N-O 2.83Å; I522-I642 HydrophobicContact CB-CG1 4.4Å; I522-I642 HydrophobicContact CD1-CG1 4.4Å; I522-I642 CarbonylContact O-C 3.43Å; I522-I642 WeakPolarHBondContact O-CA 3.38Å; I522-K643 PolarHBondContact O-N 3.18Å
523	D	94.8	Very high	93.7	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.064	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	99	173.7	-169.1	-15.2	0	0	0	110	Y521 T525 E526 M530 K643 L979	Y521-D523 HydrophobicContact CD2-CB 3.83Å; Y521-D523 HydrophobicContact CE2-CB 3.71Å; D523-T525 PolarHBondContact O-N 3.38Å; D523-T525 VanDerWaalsContact O-N 3.1Å; D523-T525 WeakPolarHBondContact OD1-CA 2.79Å; D523-T525 VanDerWaalsContact OD1-CB 3.3Å; D523-T525 WeakPolarHBondContact OD1-CB 3.34Å; D523-T525 PolarHBondContact OD1-N 2.88Å; D523-T525 PolarHBondContact OD1-OG1 3.37Å; D523-T525 PolarHBondContact OD2-OG1 2.98Å; D523-E526 HydrophobicContact CB-CB 4.25Å; D523-E526 PolarHBondContact O-N 2.91Å; D523-M530 HydrophobicContact CB-CE 4.43Å; D523-M530 WeakPolarHBondContact O-CB 3.43Å; D523-M530 WeakPolarHBondContact O-CG 3.26Å; D523-K643 WeakPolarHBondContact CA-O 3.33Å; D523-K643 HydrophobicContact CB-CB 4.41Å; D523-K643 IonicContact OD1-NZ 3.8Å; D523-K643 WeakPolarHBondContact OD2-CD 2.97Å; D523-K643 IonicContact OD2-NZ 2.66Å; D523-K643 PolarHBondContact OD2-NZ 2.55Å; D523-L979 HydrophobicContact CB-CD1 4.28Å
524	L	94.8	Very high	93.9	Very high	8 Å²	8	25 Å²	25	4%	0.042	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	4.9	179.2	-49.8	-164.6	0	0	0	112.6	I522 M530 Y533 C534 I538 T545 K643 V644	I522-L524 HydrophobicContact CG2-CD2 3.62Å; I522-L524 HydrophobicContact CG2-CG 4.26Å; L524-M530 HydrophobicContact CD2-CG 4.37Å; L524-Y533 VanDerWaalsContact CD2-CB 3.4Å; L524-Y533 HydrophobicContact CD2-CG 4.36Å; L524-C534 VanDerWaalsContact O-CA 3.24Å; L524-C534 WeakPolarHBondContact O-CA 3.41Å; L524-C534 WeakPolarHBondContact O-CB 3.1Å; L524-I538 HydrophobicContact CD1-CG2 4.38Å; L524-T545 HydrophobicContact CD1-CG2 4.48Å; L524-K643 PolarHBondContact N-O 3.48Å; L524-V644 HydrophobicContact CD1-CG1 4.02Å; L524-V644 HydrophobicContact CD1-CG2 3.99Å; L524-V644 HydrophobicContact CG-CG2 4.07Å
525	T	93.4	Very high	93.9	Very high	52 Å²	52	22.2 Å²	22.2	32%	0.319	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-8.8	173.3	73.7	0	0	0	0	112.9	D523 C527 I611 K643 K645	D523-T525 PolarHBondContact O-N 3.38Å; D523-T525 VanDerWaalsContact O-N 3.1Å; D523-T525 WeakPolarHBondContact OD1-CA 2.79Å; D523-T525 VanDerWaalsContact OD1-CB 3.3Å; D523-T525 WeakPolarHBondContact OD1-CB 3.34Å; D523-T525 PolarHBondContact OD1-N 2.88Å; D523-T525 PolarHBondContact OD1-OG1 3.37Å; D523-T525 PolarHBondContact OD2-OG1 2.98Å; T525-C527 PolarHBondContact O-N 3.13Å; T525-I611 HydrophobicContact CG2-CD1 4.49Å; T525-K643 HydrophobicContact CG2-CG 4.45Å; T525-K643 VanDerWaalsContact OG1-CE 3.32Å; T525-K643 WeakPolarHBondContact OG1-CE 3.44Å; T525-K643 PolarHBondContact OG1-NZ 2.73Å; T525-K645 HydrophobicContact CG2-CB 4.08Å
526	E	92.7	Very high	93.9	Very high	45 Å²	45	23.1 Å²	23.1	21%	0.21	14%	0.14	C	C	.	.			trans	-94.5	90.6	-176.4	-169.1	-174.8	173.8	0	0	112	R485 Y521 D523 Y529 M530	R485-E526 IonicContact NH1-OE1 2.83Å; R485-E526 PolarHBondContact NH1-OE1 2.94Å; R485-E526 IonicContact NH1-OE2 2.86Å; Y521-E526 WeakPolarHBondContact CE2-OE2 3.44Å; Y521-E526 PolarHBondContact OH-OE2 2.93Å; D523-E526 HydrophobicContact CB-CB 4.25Å; D523-E526 PolarHBondContact O-N 2.91Å; E526-Y529 PolarHBondContact O-N 2.89Å; E526-M530 WeakPolarHBondContact O-CB 3.36Å; E526-M530 PolarHBondContact O-N 2.84Å
527	C	92.1	Very high	93.9	Very high	76 Å²	76	23.2 Å²	23.2	51%	0.514	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	142.7	169.6	-72.6	0	0	0	0	112.2	T525 C534	T525-C527 PolarHBondContact O-N 3.13Å; C527-C534 WeakPolarHBondContact CA-SG 3.37Å; C527-C534 HydrophobicContact CB-CB 4.19Å; C527-C534 WeakPolarHBondContact CB-SG 3.19Å; C527-C534 WeakPolarHBondContact SG-CB 3.45Å; C527-C534 PolarHBondContact SG-O 2.65Å; C527-C534 CovalentContact SG-SG 2.04Å; C527-C534 PolarHBondContact SG-SG 2.88Å
528	P	93.5	Very high	93.9	Very high	60 Å²	60	23.4 Å²	23.4	39%	0.39	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.1	-2.9	4.1	34.9	-35.1	0	0	0	114.4	N490 M530 W531	N490-P528 WeakPolarHBondContact CB-O 3.48Å; P528-M530 VanDerWaalsContact C-N 3.33Å; P528-M530 PolarHBondContact O-N 3.38Å; P528-W531 VanDerWaalsContact O-CB 3.28Å; P528-W531 WeakPolarHBondContact O-CB 3.5Å; P528-W531 PolarHBondContact O-N 3.36Å; P528-W531 VanDerWaalsContact O-N 3.09Å
529	Y	94.3	Very high	94	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.047	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-45.8	-169.9	-173.9	-100.7	0	0	0	113.2	R485 M491 G495 E526 W531	R485-Y529 HydrophobicContact CG-CE2 4.12Å; R485-Y529 VanDerWaalsContact NE-CZ 3.3Å; R485-Y529 PolarHBondContact NE-OH 3.43Å; R485-Y529 PolarHBondContact NH2-OH 3.41Å; M491-Y529 HydrophobicContact CB-CD2 4.45Å; M491-Y529 HydrophobicContact CB-CE1 4.18Å; M491-Y529 HydrophobicContact CB-CE2 4.04Å; M491-Y529 WeakPolarHBondContact CB-O 3.31Å; M491-Y529 WeakPolarHBondContact CG-O 3.4Å; M491-Y529 PolarHBondContact N-O 2.75Å; G495-Y529 PolarHBondContact O-OH 3.41Å; E526-Y529 PolarHBondContact O-N 2.89Å; Y529-W531 VanDerWaalsContact C-N 3.32Å; Y529-W531 PolarHBondContact O-N 2.95Å
530	M	94.3	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	21.3	-177.2	-154	72.7	66.8	0	0	113.3	M491 Y521 D523 L524 E526 P528 Y533 C534	M491-M530 HydrophobicContact CE-CG 4.06Å; M491-M530 HydrophobicContact CE-SD 3.5Å; M491-M530 VanDerWaalsContact CE-SD 3.5Å; M491-M530 HydrophobicContact SD-SD 3.84Å; Y521-M530 HydrophobicContact CD2-CE 3.92Å; Y521-M530 HydrophobicContact CE2-CE 3.53Å; D523-M530 HydrophobicContact CB-CE 4.43Å; D523-M530 WeakPolarHBondContact O-CB 3.43Å; D523-M530 WeakPolarHBondContact O-CG 3.26Å; L524-M530 HydrophobicContact CD2-CG 4.37Å; E526-M530 WeakPolarHBondContact O-CB 3.36Å; E526-M530 PolarHBondContact O-N 2.84Å; P528-M530 VanDerWaalsContact C-N 3.33Å; P528-M530 PolarHBondContact O-N 3.38Å; M530-Y533 HydrophobicContact CG-CD2 4.26Å; M530-Y533 WeakPolarHBondContact O-CB 3.42Å; M530-Y533 PolarHBondContact O-N 3.09Å; M530-C534 HydrophobicContact CB-CB 4.15Å; M530-C534 PolarHBondContact O-N 3.46Å; M530-C534 VanDerWaalsContact O-N 3.1Å
531	W	93.9	Very high	94	Very high	22 Å²	22	24.9 Å²	24.9	8%	0.083	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.6	171.9	-177.4	91.1	0	0	0	110.1	Y376 N490 F492 P528 Y529 H691 R695	Y376-W531 HydrophobicContact CD1-CH2 4.2Å; Y376-W531 AromaticContact CD1-CZ3 3.83Å; Y376-W531 HydrophobicContact CD1-CZ3 3.83Å; Y376-W531 HydrophobicContact CE1-CE3 4.14Å; Y376-W531 HydrophobicContact CE1-CH2 4.09Å; Y376-W531 AromaticContact CE1-CZ3 3.48Å; Y376-W531 HydrophobicContact CE1-CZ3 3.48Å; Y376-W531 VanDerWaalsContact CE1-CZ3 3.48Å; N490-W531 HydrophobicContact CB-CB 3.99Å; F492-W531 HydrophobicContact CD2-CE3 4.41Å; F492-W531 VanDerWaalsContact CD2-O 3.23Å; F492-W531 WeakPolarHBondContact CD2-O 3.4Å; F492-W531 WeakPolarHBondContact CE2-O 3.39Å; P528-W531 VanDerWaalsContact O-CB 3.28Å; P528-W531 WeakPolarHBondContact O-CB 3.5Å; P528-W531 PolarHBondContact O-N 3.36Å; P528-W531 VanDerWaalsContact O-N 3.09Å; Y529-W531 VanDerWaalsContact C-N 3.32Å; Y529-W531 PolarHBondContact O-N 2.95Å; W531-H691 HydrophobicContact CH2-CB 4.05Å; W531-R695 HydrophobicContact CH2-CG 3.84Å; W531-R695 HydrophobicContact CZ2-CG 3.76Å
532	P	92.6	Very high	93.9	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.019	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84	-14.2	5	33.4	-33.9	0	0	0	114.2	C534 S535 H691 Y698	P532-C534 PolarHBondContact O-N 2.8Å; P532-C534 VanDerWaalsContact O-N 3.12Å; P532-S535 VanDerWaalsContact O-CB 3.32Å; P532-S535 WeakPolarHBondContact O-CB 3.48Å; P532-S535 PolarHBondContact O-N 2.73Å; P532-S535 PolarHBondContact O-OG 2.82Å; P532-H691 VanDerWaalsContact CG-CD2 3.47Å; P532-H691 WeakPolarHBondContact CG-CD2 3.48Å; P532-Y698 HydrophobicContact CB-CE1 4.48Å
533	Y	93.4	Very high	93.8	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.047	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.8	-170.9	-46.4	-67.1	0	0	0	114.5	Y417 M491 F492 L524 M530 S535 T545 I546 V547	Y417-Y533 AromaticContact CD1-CE1 3.97Å; Y417-Y533 HydrophobicContact CD1-CE1 3.97Å; Y417-Y533 HydrophobicContact CE1-CE1 4.09Å; M491-Y533 HydrophobicContact CE-CD2 3.76Å; M491-Y533 HydrophobicContact CE-CE2 3.73Å; F492-Y533 HydrophobicContact CE2-CE2 4.3Å; F492-Y533 HydrophobicContact CZ-CE2 4.24Å; L524-Y533 VanDerWaalsContact CD2-CB 3.4Å; L524-Y533 HydrophobicContact CD2-CG 4.36Å; M530-Y533 HydrophobicContact CG-CD2 4.26Å; M530-Y533 WeakPolarHBondContact O-CB 3.42Å; M530-Y533 PolarHBondContact O-N 3.09Å; Y533-S535 VanDerWaalsContact C-N 3.34Å; Y533-T545 HydrophobicContact CD1-CG2 3.88Å; Y533-I546 VanDerWaalsContact CE1-O 3.27Å; Y533-I546 WeakPolarHBondContact CE1-O 3.31Å; Y533-V547 HydrophobicContact CD1-CG2 3.98Å; Y533-V547 HydrophobicContact CD2-CG2 4.24Å; Y533-V547 HydrophobicContact CE1-CG2 3.92Å; Y533-V547 HydrophobicContact CE2-CG1 4.05Å; Y533-V547 HydrophobicContact CE2-CG2 4.18Å; Y533-V547 HydrophobicContact CG-CG2 4.13Å
534	C	94	Very high	93.7	Very high	14 Å²	14	28.6 Å²	28.6	10%	0.095	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-80.3	-13	177.7	75.9	0	0	0	0	114.5	L524 C527 M530 P532 Q536	L524-C534 VanDerWaalsContact O-CA 3.24Å; L524-C534 WeakPolarHBondContact O-CA 3.41Å; L524-C534 WeakPolarHBondContact O-CB 3.1Å; C527-C534 WeakPolarHBondContact CA-SG 3.37Å; C527-C534 HydrophobicContact CB-CB 4.19Å; C527-C534 WeakPolarHBondContact CB-SG 3.19Å; C527-C534 WeakPolarHBondContact SG-CB 3.45Å; C527-C534 PolarHBondContact SG-O 2.65Å; C527-C534 CovalentContact SG-SG 2.04Å; C527-C534 PolarHBondContact SG-SG 2.88Å; M530-C534 HydrophobicContact CB-CB 4.15Å; M530-C534 PolarHBondContact O-N 3.46Å; M530-C534 VanDerWaalsContact O-N 3.1Å; P532-C534 PolarHBondContact O-N 2.8Å; P532-C534 VanDerWaalsContact O-N 3.12Å; C534-Q536 VanDerWaalsContact C-N 3.26Å; C534-Q536 PolarHBondContact O-N 3.31Å
535	S	93.4	Very high	93.6	Very high	34 Å²	34	29.2 Å²	29.2	24%	0.238	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-76.6	-13.9	-172.3	71.4	0	0	0	0	113.5	P532 Y533 Y698 R702	P532-S535 VanDerWaalsContact O-CB 3.32Å; P532-S535 WeakPolarHBondContact O-CB 3.48Å; P532-S535 PolarHBondContact O-N 2.73Å; P532-S535 PolarHBondContact O-OG 2.82Å; Y533-S535 VanDerWaalsContact C-N 3.34Å; S535-Y698 WeakPolarHBondContact OG-CE1 3.42Å; S535-Y698 PolarHBondContact OG-OH 2.77Å; S535-R702 PolarHBondContact O-NE 2.81Å; S535-R702 PolarHBondContact O-NH2 2.94Å
536	Q	93.7	Very high	93.6	Very high	22 Å²	22	29 Å²	29	10%	0.103	17%	0.165	C	C	.	.	S	Bend	trans	-140.1	138.6	173.3	75.7	-175.7	14.9	0	0	112.6	C534 V708	C534-Q536 VanDerWaalsContact C-N 3.26Å; C534-Q536 PolarHBondContact O-N 3.31Å; Q536-V708 PolarHBondContact NE2-O 2.99Å; Q536-V708 PolarHBondContact OE1-O 3.05Å
537	P	94.8	Very high	93.6	Very high	27 Å²	27	27 Å²	27	18%	0.175	16%	0.156	C	C	.	.			trans	-73.7	156.7	168.8	31.5	-32.1	0	0	0	110.6	K645 V647 F707	P537-K645 WeakPolarHBondContact CA-O 3.4Å; P537-K645 HydrophobicContact CB-CB 4.21Å; P537-K645 HydrophobicContact CB-CD 4.24Å; P537-K645 HydrophobicContact CB-CG 4.02Å; P537-K645 WeakPolarHBondContact CB-O 3.02Å; P537-V647 HydrophobicContact CB-CB 4.46Å; P537-V647 HydrophobicContact CB-CG1 3.74Å; P537-V647 HydrophobicContact CB-CG2 4.01Å; P537-V647 HydrophobicContact CG-CB 4.3Å; P537-V647 HydrophobicContact CG-CG1 3.6Å; P537-V647 HydrophobicContact CG-CG2 3.69Å; P537-F707 HydrophobicContact CG-CE1 3.98Å; P537-F707 HydrophobicContact CG-CZ 4.33Å
538	I	95.8	Very high	93.7	Very high	13 Å²	13	24.4 Å²	24.4	7%	0.067	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-91.4	160.1	176.3	67.5	166.1	0	0	0	111.2	L524 T545 I599 V601 V644 K645 I646 V647	L524-I538 HydrophobicContact CD1-CG2 4.38Å; I538-T545 WeakPolarHBondContact CG2-OG1 3.4Å; I538-I599 HydrophobicContact CD1-CG2 3.89Å; I538-V601 HydrophobicContact CB-CG2 4.19Å; I538-V601 HydrophobicContact CD1-CG2 3.49Å; I538-V601 VanDerWaalsContact CD1-CG2 3.49Å; I538-V601 HydrophobicContact CG1-CG2 3.55Å; I538-V644 HydrophobicContact CD1-CG1 3.34Å; I538-V644 HydrophobicContact CG1-CG1 3.42Å; I538-V644 VanDerWaalsContact CG1-CG1 3.42Å; I538-V644 HydrophobicContact CG2-CG1 4.47Å; I538-K645 PolarHBondContact N-O 3.07Å; I538-I646 HydrophobicContact CG1-CG1 4.3Å; I538-I646 WeakPolarHBondContact O-CA 3.44Å; I538-V647 PolarHBondContact O-N 3.11Å
539	Y	96	Very high	93.8	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.024	12%	0.118	C	C	.	.			trans	-149.4	165.4	-179.1	62.7	-89.6	0	0	0	111.1	V601 V647 T649 P650 R655 F707 E709	Y539-V601 VanDerWaalsContact C-CG2 3.49Å; Y539-V647 WeakPolarHBondContact CB-O 3.38Å; Y539-T649 HydrophobicContact CD2-CG2 4.25Å; Y539-P650 HydrophobicContact CD1-CG 3.93Å; Y539-P650 HydrophobicContact CD2-CG 4.14Å; Y539-P650 HydrophobicContact CE1-CG 3.92Å; Y539-P650 HydrophobicContact CE2-CG 4.09Å; Y539-P650 HydrophobicContact CG-CG 4.05Å; Y539-R655 WeakPolarHBondContact OH-CD 3.06Å; Y539-F707 AromaticContact CD1-CD1 3.93Å; Y539-F707 HydrophobicContact CD1-CD1 3.93Å; Y539-F707 HydrophobicContact CD1-CE1 4.15Å; Y539-F707 HydrophobicContact CE1-CB 4.12Å; Y539-F707 AromaticContact CE1-CD1 3.7Å; Y539-F707 HydrophobicContact CE1-CD1 3.7Å; Y539-F707 HydrophobicContact CE1-CE1 4.38Å; Y539-F707 HydrophobicContact CE1-CG 4.05Å; Y539-E709 WeakPolarHBondContact CE1-OE1 3.27Å; Y539-E709 PolarHBondContact OH-OE1 3.03Å
540	Y	95.6	Very high	93.8	Very high	81 Å²	81	21.1 Å²	21.1	32%	0.318	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	131.2	179.1	175.8	-105.2	0	0	0	111.9	V601 K603 A606 T649	Y540-V601 WeakPolarHBondContact CD2-O 3.14Å; Y540-K603 HydrophobicContact CD2-CB 4.4Å; Y540-K603 HydrophobicContact CE1-CG 4.36Å; Y540-K603 VanDerWaalsContact CE2-CA 3.49Å; Y540-K603 HydrophobicContact CE2-CB 3.71Å; Y540-K603 HydrophobicContact CE2-CG 4.08Å; Y540-A606 HydrophobicContact CD1-CB 3.59Å; Y540-A606 HydrophobicContact CE1-CB 4.41Å; Y540-A606 HydrophobicContact CG-CB 3.8Å; Y540-T649 WeakPolarHBondContact O-CG2 3.22Å; Y540-T649 PolarHBondContact O-OG1 3.07Å
541	G	91.6	Very high	93.9	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-7.7	179.2	0	0	0	0	0	115
542	G	92.7	Very high	94	Very high	9 Å²	9	20.2 Å²	20.2	9%	0.093	11%	0.114	C	C	.	.	S	Bend	trans	-77.9	163.7	170.4	0	0	0	0	0	112.8	E709	G542-E709 WeakPolarHBondContact CA-OE2 3.32Å
543	M	92.9	Very high	94.1	Very high	51 Å²	51	20.1 Å²	20.1	25%	0.251	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-58.7	139.8	171.4	-75.7	-56	99.5	0	0	110.7	T545 L657 E709 F718 Y723	M543-T545 PolarHBondContact O-N 3.48Å; M543-L657 HydrophobicContact CG-CD1 3.93Å; M543-E709 HydrophobicContact CB-CB 4.15Å; M543-E709 HydrophobicContact CG-CB 4.39Å; M543-E709 PolarHBondContact N-OE2 3.34Å; M543-F718 HydrophobicContact CE-CB 4.25Å; M543-Y723 HydrophobicContact CE-CE2 4.12Å; M543-Y723 VanDerWaalsContact CE-OH 3.23Å; M543-Y723 WeakPolarHBondContact CE-OH 2.9Å; M543-Y723 WeakPolarHBondContact CG-OH 3.43Å; M543-Y723 PolarHBondContact N-OH 3.29Å
544	P	92.7	Very high	94.1	Very high	34 Å²	34	19.5 Å²	19.5	22%	0.221	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-58	132	176.3	-23.9	34.2	0	0	0	111.6	I546 I599 L963 W965	P544-I546 PolarHBondContact O-N 3.25Å; P544-I599 WeakPolarHBondContact CA-O 3.41Å; P544-L963 HydrophobicContact CB-CD1 3.94Å; P544-L963 HydrophobicContact CG-CD1 3.58Å; P544-W965 HydrophobicContact CG-CH2 4.26Å
545	T	92.6	Very high	93.9	Very high	20 Å²	20	19.3 Å²	19.3	12%	0.123	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.4	172.6	-58.8	0	0	0	0	108.8	L524 Y533 I538 M543 S598 I599	L524-T545 HydrophobicContact CD1-CG2 4.48Å; Y533-T545 HydrophobicContact CD1-CG2 3.88Å; I538-T545 WeakPolarHBondContact CG2-OG1 3.4Å; M543-T545 PolarHBondContact O-N 3.48Å; T545-S598 WeakPolarHBondContact O-CA 3.48Å; T545-I599 PolarHBondContact N-O 2.81Å; T545-I599 PolarHBondContact O-N 3.34Å
546	I	92.2	Very high	93.8	Very high	48 Å²	48	17.8 Å²	17.8	25%	0.246	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.2	-178.4	-54.2	177.9	0	0	0	109.3	Y417 Y533 P544 A596 V597	Y417-I546 HydrophobicContact CD2-CB 4.15Å; Y533-I546 VanDerWaalsContact CE1-O 3.27Å; Y533-I546 WeakPolarHBondContact CE1-O 3.31Å; P544-I546 PolarHBondContact O-N 3.25Å; I546-A596 HydrophobicContact CG2-CB 4.37Å; I546-V597 WeakPolarHBondContact CA-O 3.47Å
547	V	93.9	Very high	93.7	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.5	172.3	-175.2	0	0	0	0	108.7	I522 Y533 V549 V597	I522-V547 HydrophobicContact CD1-CB 3.84Å; I522-V547 HydrophobicContact CD1-CG1 3.89Å; I522-V547 HydrophobicContact CD1-CG2 4.29Å; I522-V547 HydrophobicContact CG1-CB 4.47Å; I522-V547 HydrophobicContact CG1-CG1 4.07Å; I522-V547 HydrophobicContact CG2-CG2 4.13Å; Y533-V547 HydrophobicContact CD1-CG2 3.98Å; Y533-V547 HydrophobicContact CD2-CG2 4.24Å; Y533-V547 HydrophobicContact CE1-CG2 3.92Å; Y533-V547 HydrophobicContact CE2-CG1 4.05Å; Y533-V547 HydrophobicContact CE2-CG2 4.18Å; Y533-V547 HydrophobicContact CG-CG2 4.13Å; V547-V549 HydrophobicContact CG1-CG2 4.33Å; V547-V597 PolarHBondContact N-O 3.14Å; V547-V597 PolarHBondContact O-N 3.4Å
548	N	93.8	Very high	93.7	Very high	22 Å²	22	19.9 Å²	19.9	12%	0.118	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.5	178.2	-74.9	-21	0	0	0	110.5	Y417 R419 A596	Y417-N548 PolarHBondContact O-ND2 3.28Å; R419-N548 HydrophobicContact CG-CB 3.73Å; N548-A596 WeakPolarHBondContact OD1-CB 3.33Å
549	V	94.9	Very high	93.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.1	-178.9	-178	0	0	0	0	109.3	L517 I522 V547 L595 L640	L517-V549 HydrophobicContact CB-CG1 3.82Å; L517-V549 HydrophobicContact CD2-CG1 4.11Å; L517-V549 HydrophobicContact CG-CG1 4.42Å; I522-V549 HydrophobicContact CD1-CG2 4.29Å; V547-V549 HydrophobicContact CG1-CG2 4.33Å; V549-L595 WeakPolarHBondContact CA-O 3.25Å; V549-L595 HydrophobicContact CB-CB 4.22Å; V549-L595 WeakPolarHBondContact CB-O 3.47Å; V549-L595 PolarHBondContact N-O 2.76Å; V549-L595 PolarHBondContact O-N 3.46Å; V549-L640 HydrophobicContact CG2-CD2 4.07Å
550	T	95.8	Very high	93.5	Very high	4 Å²	4	25 Å²	25	3%	0.025	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.4	172.7	-56.8	0	0	0	0	109.3	M386 R419 L517 S518 L552	M386-T550 HydrophobicContact CB-CG2 4.15Å; M386-T550 HydrophobicContact CG-CG2 4.05Å; M386-T550 HydrophobicContact SD-CG2 3.97Å; M386-T550 PolarHBondContact SD-OG1 2.78Å; R419-T550 WeakPolarHBondContact CD-OG1 3.47Å; L517-T550 WeakPolarHBondContact CA-O 3.18Å; S518-T550 PolarHBondContact N-O 3.3Å; S518-T550 PolarHBondContact O-N 3.26Å; T550-L552 HydrophobicContact CG2-CD2 3.95Å; T550-L552 HydrophobicContact CG2-CG 4.41Å
551	I	96.4	Very high	93.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.8	168.2	-52.9	175.7	0	0	0	107	L517 I561 L588 S592 G593 L595 V620	L517-I551 HydrophobicContact CD2-CB 4.31Å; L517-I551 HydrophobicContact CD2-CG1 3.79Å; L517-I551 HydrophobicContact CD2-CG2 4.4Å; I551-I561 HydrophobicContact CD1-CD1 3.65Å; I551-L588 HydrophobicContact CB-CD2 4.41Å; I551-L588 HydrophobicContact CD1-CD2 4.16Å; I551-L588 HydrophobicContact CG2-CD1 3.84Å; I551-S592 CarbonylContact O-C 3.28Å; I551-S592 WeakPolarHBondContact O-CA 3.42Å; I551-S592 WeakPolarHBondContact O-CB 3.31Å; I551-G593 PolarHBondContact N-O 2.66Å; I551-G593 PolarHBondContact O-N 3.33Å; I551-L595 HydrophobicContact CD1-CB 4.03Å; I551-L595 HydrophobicContact CG1-CB 3.95Å; I551-V620 HydrophobicContact CG2-CG2 4.08Å
552	L	95.8	Very high	93.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.5	172.4	-64	176.9	0	0	0	109	K476 Q477 I480 A515 S516 T550	K476-L552 HydrophobicContact CD-CD1 4.41Å; K476-L552 HydrophobicContact CD-CD2 4.25Å; K476-L552 HydrophobicContact CG-CD1 4.18Å; Q477-L552 HydrophobicContact CG-CB 3.98Å; Q477-L552 HydrophobicContact CG-CD1 4.01Å; Q477-L552 PolarHBondContact NE2-O 3.34Å; I480-L552 HydrophobicContact CD1-CD1 3.57Å; A515-L552 CarbonylContact C-O 3.47Å; A515-L552 VanDerWaalsContact CA-O 3.29Å; A515-L552 WeakPolarHBondContact CA-O 3.31Å; S516-L552 PolarHBondContact N-O 3.14Å; S516-L552 PolarHBondContact O-N 3.02Å; T550-L552 HydrophobicContact CG2-CD2 3.95Å; T550-L552 HydrophobicContact CG2-CG 4.41Å
553	N	94.8	Very high	93.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	100	-178.6	-178.1	25.9	0	0	0	111.2	A473 M555 G556 T558 L588 W591 S622	A473-N553 WeakPolarHBondContact CB-O 3.33Å; N553-M555 VanDerWaalsContact C-N 3.31Å; N553-M555 PolarHBondContact O-N 2.96Å; N553-M555 WeakPolarHBondContact OD1-CB 3.36Å; N553-M555 WeakPolarHBondContact OD1-CE 3.46Å; N553-M555 PolarHBondContact OD1-N 3.07Å; N553-G556 PolarHBondContact ND2-O 2.68Å; N553-T558 PolarHBondContact ND2-O 2.89Å; N553-L588 HydrophobicContact CB-CD1 4.05Å; N553-W591 WeakPolarHBondContact CB-O 3.47Å; N553-W591 PolarHBondContact N-O 3.33Å; N553-S622 PolarHBondContact ND2-OG 2.94Å; N553-S622 PolarHBondContact OD1-OG 2.77Å
554	G	91.9	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.			trans	-86.3	3.9	178.3	0	0	0	0	0	114.9	N471 Y511 Q514	N471-G554 PolarHBondContact ND2-O 2.65Å; Y511-G554 WeakPolarHBondContact OH-CA 3.16Å; Q514-G554 WeakPolarHBondContact O-CA 3.19Å; Q514-G554 PolarHBondContact O-N 3.31Å
555	M	91.3	Very high	93.2	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.049	17%	0.168	C	C	.	.	S	Bend	trans	-89.6	-28.6	-176	-61.2	179.6	-63.1	0	0	114	P513 N553 V620 L634 S636	P513-M555 HydrophobicContact CB-CB 4.45Å; P513-M555 HydrophobicContact CB-CG 4.09Å; N553-M555 VanDerWaalsContact C-N 3.31Å; N553-M555 PolarHBondContact O-N 2.96Å; N553-M555 WeakPolarHBondContact OD1-CB 3.36Å; N553-M555 WeakPolarHBondContact OD1-CE 3.46Å; N553-M555 PolarHBondContact OD1-N 3.07Å; M555-V620 HydrophobicContact CE-CB 4.14Å; M555-V620 HydrophobicContact CE-CG1 3.85Å; M555-L634 HydrophobicContact CB-CB 4.27Å; M555-L634 HydrophobicContact CB-CD1 4.23Å; M555-L634 HydrophobicContact CG-CB 4.35Å; M555-L634 HydrophobicContact SD-CB 3.84Å; M555-S636 VanDerWaalsContact SD-CB 3.58Å
556	G	90.3	Very high	93.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.			trans	-179.9	168.2	179.3	0	0	0	0	0	112.8	N553 T558 W591	N553-G556 PolarHBondContact ND2-O 2.68Å; G556-T558 PolarHBondContact O-N 3.05Å; G556-T558 VanDerWaalsContact O-N 3.14Å; G556-W591 WeakPolarHBondContact O-CZ3 3.4Å
557	V	92.4	Very high	93.4	Very high	33 Å²	33	32.4 Å²	32.4	20%	0.2	16%	0.163	C	C	.	.	S	Bend	trans	-66.3	-9.6	-178.8	-168.3	0	0	0	0	113.4	A360 P590 W591	A360-V557 HydrophobicContact CB-CG1 3.74Å; V557-P590 CarbonylContact C-O 3.58Å; V557-P590 WeakPolarHBondContact CA-O 3.3Å; V557-P590 HydrophobicContact CG1-CB 4.32Å; V557-P590 CarbonylContact O-C 3.54Å; V557-W591 HydrophobicContact CB-CH2 4.3Å; V557-W591 HydrophobicContact CB-CZ2 4.22Å; V557-W591 HydrophobicContact CG2-CH2 3.48Å; V557-W591 VanDerWaalsContact CG2-CH2 3.48Å; V557-W591 HydrophobicContact CG2-CZ2 3.44Å; V557-W591 VanDerWaalsContact CG2-CZ2 3.44Å; V557-W591 HydrophobicContact CG2-CZ3 4.27Å
558	T	93.5	Very high	93.5	Very high	60 Å²	60	33.3 Å²	33.3	37%	0.368	17%	0.167	S	C	.	.			trans	-137.4	143.6	171.5	55.2	0	0	0	0	108.7	N553 G556 L588 S622	N553-T558 PolarHBondContact ND2-O 2.89Å; G556-T558 PolarHBondContact O-N 3.05Å; G556-T558 VanDerWaalsContact O-N 3.14Å; T558-L588 WeakPolarHBondContact CA-O 3.1Å; T558-S622 WeakPolarHBondContact O-CB 3.35Å; T558-S622 PolarHBondContact O-OG 3.46Å
559	G	93.2	Very high	93.6	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.5	172.1	0	0	0	0	0	110.6	V587 L588 A621 S622	G559-V587 CarbonylContact O-C 3.35Å; G559-V587 WeakPolarHBondContact O-CA 3.47Å; G559-L588 PolarHBondContact N-O 3.41Å; G559-L588 PolarHBondContact O-N 3.32Å; G559-A621 CarbonylContact C-O 3.46Å; G559-A621 WeakPolarHBondContact CA-O 3.17Å; G559-S622 WeakPolarHBondContact CA-OG 3.47Å
560	R	95	Very high	93.6	Very high	123 Å²	123	33.2 Å²	33.2	46%	0.464	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.4	169.4	65.8	179.2	-179	-170.4	-2.8	110	P586 V620 A621 E633	R560-P586 WeakPolarHBondContact CA-O 3Å; R560-V620 WeakPolarHBondContact O-CA 3.45Å; R560-A621 HydrophobicContact CG-CB 4.24Å; R560-A621 PolarHBondContact N-O 3.09Å; R560-A621 PolarHBondContact O-N 3.46Å; R560-E633 IonicContact CZ-OE1 2.8Å; R560-E633 IonicContact CZ-OE2 2.78Å; R560-E633 IonicContact NE-OE2 3.68Å; R560-E633 IonicContact NH2-OE1 2.89Å; R560-E633 PolarHBondContact NH2-OE1 3.42Å; R560-E633 IonicContact NH2-OE2 2.98Å; R560-E633 PolarHBondContact NH2-OE2 3.25Å
561	I	94.3	Very high	93.4	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.6	169.2	-63.4	-178.9	0	0	0	106.9	I551 D563 Y584 S585 P586 V618	I551-I561 HydrophobicContact CD1-CD1 3.65Å; I561-D563 WeakPolarHBondContact CG2-O 3.25Å; I561-Y584 HydrophobicContact CB-CD2 4.24Å; I561-Y584 HydrophobicContact CB-CE2 4.17Å; I561-Y584 HydrophobicContact CD1-CD2 3.56Å; I561-Y584 HydrophobicContact CD1-CE2 4.33Å; I561-Y584 HydrophobicContact CD1-CG 3.98Å; I561-Y584 HydrophobicContact CG1-CD2 4.43Å; I561-Y584 HydrophobicContact CG2-CD2 4.25Å; I561-Y584 HydrophobicContact CG2-CE2 4Å; I561-S585 WeakPolarHBondContact CD1-O 3.48Å; I561-P586 PolarHBondContact N-O 2.93Å; I561-V618 HydrophobicContact CD1-CG1 4.17Å; I561-V618 HydrophobicContact CG1-CG1 4.34Å; I561-V618 HydrophobicContact CG2-CG1 4.19Å
562	V	90.3	Very high	93.2	Very high	66 Å²	66	39 Å²	39	40%	0.4	20%	0.2	S	C	.	.			trans	-67.8	-50.5	-170.8	-179.5	0	0	0	0	111.2	T619 A621	V562-T619 HydrophobicContact CG2-CG2 4.34Å; V562-T619 PolarHBondContact N-O 2.76Å; V562-T619 VanDerWaalsContact N-O 3.15Å; V562-A621 HydrophobicContact CG2-CB 3.35Å
563	D	89.6	Confident	93.1	Very high	107 Å²	107	41 Å²	41	57%	0.572	21%	0.209	S	C	*	.	S	Bend	trans	-126.3	159.4	-176.6	-69	-55.5	0	0	0	110.6	I561	I561-D563 WeakPolarHBondContact CG2-O 3.25Å
564	K	90.9	Very high	93	Very high	162 Å²	162	44 Å²	44	70%	0.704	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-56.5	133.1	173.1	-65.6	-168.8	174.8	-173.1	0	109.9	I566 Y584	K564-I566 PolarHBondContact O-N 3.26Å; K564-Y584 WeakPolarHBondContact CG-OH 3.45Å
565	P	93.8	Very high	93	Very high	13 Å²	13	44 Å²	44	8%	0.084	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-50.1	135.2	174.6	-31	38	0	0	0	112.5	V582 Y584 L595 V616 M617 V618	P565-V582 HydrophobicContact CB-CB 4.19Å; P565-V582 HydrophobicContact CB-CG1 3.87Å; P565-V582 HydrophobicContact CB-CG2 4.32Å; P565-V582 HydrophobicContact CG-CB 4.44Å; P565-V582 HydrophobicContact CG-CG1 3.8Å; P565-Y584 HydrophobicContact CG-CD1 3.72Å; P565-Y584 HydrophobicContact CG-CE1 3.86Å; P565-Y584 HydrophobicContact CG-CG 4.35Å; P565-L595 HydrophobicContact CG-CD1 4.14Å; P565-V616 HydrophobicContact CB-CG1 3.78Å; P565-M617 WeakPolarHBondContact CA-O 3.32Å; P565-V618 HydrophobicContact CB-CG2 3.99Å; P565-V618 HydrophobicContact CG-CG2 4.05Å
566	I	94.9	Very high	93.1	Very high	50 Å²	50	46.2 Å²	46.2	26%	0.256	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127	-173.2	-55	175	0	0	0	109.2	K564 Q568 V616 M617 Q969	K564-I566 PolarHBondContact O-N 3.26Å; I566-Q568 HydrophobicContact CG2-CG 4.05Å; I566-V616 CarbonylContact O-C 3.56Å; I566-V616 WeakPolarHBondContact O-CA 3.49Å; I566-M617 HydrophobicContact CD1-CE 4.43Å; I566-M617 PolarHBondContact N-O 3.3Å; I566-M617 PolarHBondContact O-N 2.96Å; I566-Q969 HydrophobicContact CG2-CB 4.37Å; I566-Q969 VanDerWaalsContact CG2-CD 3.43Å; I566-Q969 HydrophobicContact CG2-CG 4.07Å
567	W	95.8	Very high	93.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.9	173.1	172.5	-128.5	0	0	0	111.3	P569 I578 V580 H615 V616 I642 A966 Q969	W567-P569 HydrophobicContact CZ2-CB 3.85Å; W567-I578 HydrophobicContact CH2-CD1 3.46Å; W567-I578 VanDerWaalsContact CH2-CD1 3.46Å; W567-I578 HydrophobicContact CH2-CG1 4.11Å; W567-I578 HydrophobicContact CZ2-CD1 3.49Å; W567-I578 VanDerWaalsContact CZ2-CD1 3.49Å; W567-I578 HydrophobicContact CZ2-CG1 3.57Å; W567-V580 HydrophobicContact CD2-CB 3.92Å; W567-V580 HydrophobicContact CD2-CG2 3.76Å; W567-V580 HydrophobicContact CE3-CB 4.12Å; W567-V580 HydrophobicContact CE3-CG1 4.43Å; W567-V580 HydrophobicContact CE3-CG2 3.82Å; W567-V580 HydrophobicContact CG-CB 4.11Å; W567-V580 HydrophobicContact CG-CG2 4.42Å; W567-V580 HydrophobicContact CH2-CG2 3.94Å; W567-V580 HydrophobicContact CZ2-CG2 3.91Å; W567-V580 HydrophobicContact CZ3-CG2 3.9Å; W567-H615 VanDerWaalsContact CE3-O 3.25Å; W567-H615 VanDerWaalsContact CZ3-N 3.3Å; W567-V616 HydrophobicContact CE3-CG2 3.82Å; W567-V616 HydrophobicContact CZ3-CG2 4.31Å; W567-I642 HydrophobicContact CH2-CB 4.49Å; W567-I642 HydrophobicContact CZ3-CB 4.33Å; W567-I642 HydrophobicContact CZ3-CD1 3.91Å; W567-I642 HydrophobicContact CZ3-CG1 4.44Å; W567-A966 HydrophobicContact CB-CB 3.61Å; W567-Q969 PolarHBondContact O-N 2.75Å
568	Q	95.4	Very high	93.4	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	94	-179.5	-69.2	-171.7	-28.4	0	0	111.2	I566 G614 H615 M617 Q969 L971	I566-Q568 HydrophobicContact CG2-CG 4.05Å; Q568-G614 WeakPolarHBondContact O-CA 3.45Å; Q568-H615 PolarHBondContact N-O 2.95Å; Q568-H615 PolarHBondContact O-N 3.23Å; Q568-H615 PolarHBondContact O-ND1 3.1Å; Q568-H615 PolarHBondContact OE1-CE1 3.37Å; Q568-H615 PolarHBondContact OE1-NE2 3.25Å; Q568-H615 VanDerWaalsContact OE1-NE2 3.08Å; Q568-M617 PolarHBondContact OE1-SD 3.16Å; Q568-Q969 WeakPolarHBondContact CA-O 3.47Å; Q568-Q969 HydrophobicContact CG-CB 4.14Å; Q568-L971 HydrophobicContact CB-CD1 3.9Å; Q568-L971 HydrophobicContact CB-CG 4.21Å; Q568-L971 HydrophobicContact CG-CD1 4.46Å
569	P	95.6	Very high	93.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	140.1	176.6	26.8	-30.6	0	0	0	112.3	W567 G575 P968 P970 L971	W567-P569 HydrophobicContact CZ2-CB 3.85Å; P569-G575 VanDerWaalsContact CB-O 3.27Å; P569-G575 WeakPolarHBondContact CB-O 3.48Å; P569-P968 HydrophobicContact CG-CB 3.93Å; P569-P970 HydrophobicContact CG-CB 4.28Å; P569-L971 PolarHBondContact O-N 2.98Å
570	Y	94.8	Very high	93.7	Very high	18 Å²	18	45 Å²	45	7%	0.071	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-85	112	172.2	-63.4	-68	0	0	0	109.9	Q573 N574 G575 Q613 G614 H615 L971 E973 A975	Y570-Q573 CarbonylContact O-C 3.58Å; Y570-Q573 PolarHBondContact O-N 3.07Å; Y570-N574 PolarHBondContact O-N 3.45Å; Y570-G575 PolarHBondContact O-N 3.23Å; Y570-Q613 HydrophobicContact CD2-CB 4.24Å; Y570-Q613 PolarHBondContact N-O 2.84Å; Y570-Q613 VanDerWaalsContact N-O 3.09Å; Y570-G614 VanDerWaalsContact CD2-CA 3.46Å; Y570-H615 AromaticContact CE2-ND1 3.82Å; Y570-H615 AromaticContact CZ-CE1 3.95Å; Y570-H615 AromaticContact CZ-ND1 3.42Å; Y570-H615 PolarHBondContact OH-ND1 2.88Å; Y570-H615 VanDerWaalsContact OH-ND1 3.16Å; Y570-L971 HydrophobicContact CD1-CB 4.39Å; Y570-L971 HydrophobicContact CE1-CD1 4.22Å; Y570-E973 WeakPolarHBondContact CD1-O 3.34Å; Y570-A975 HydrophobicContact CD1-CB 4.48Å; Y570-A975 HydrophobicContact CD2-CB 3.46Å; Y570-A975 VanDerWaalsContact CD2-CB 3.46Å; Y570-A975 HydrophobicContact CE2-CB 3.87Å; Y570-A975 HydrophobicContact CG-CB 3.82Å
571	L	91.6	Very high	93.7	Very high	60 Å²	60	39.2 Å²	39.2	31%	0.314	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.3	-41.4	-178.4	-68.3	175.6	0	0	0	113.6	Q573 N574 D576 P970 L971 N972	L571-Q573 PolarHBondContact O-N 3.47Å; L571-Q573 VanDerWaalsContact O-N 3.12Å; L571-N574 PolarHBondContact O-N 3.32Å; L571-D576 HydrophobicContact CD2-CB 4.08Å; L571-P970 HydrophobicContact CD1-CB 3.8Å; L571-P970 HydrophobicContact CD2-CB 3.85Å; L571-P970 HydrophobicContact CG-CB 3.8Å; L571-L971 PolarHBondContact N-O 3.01Å; L571-N972 WeakPolarHBondContact CD1-OD1 3.24Å
572	P	92.4	Very high	93.7	Very high	68 Å²	68	39.1 Å²	39.1	44%	0.442	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.8	-16.8	177.3	-21.3	34.4	0	0	0	114.1	E973	P572-E973 WeakPolarHBondContact CD-O 3.39Å
573	Q	92.6	Very high	93.8	Very high	42 Å²	42	38.6 Å²	38.6	20%	0.196	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-115.2	27.8	178.1	-71.1	74	39.4	0	0	112.1	Y570 L571 G575 A612 Q613 A975	Y570-Q573 CarbonylContact O-C 3.58Å; Y570-Q573 PolarHBondContact O-N 3.07Å; L571-Q573 PolarHBondContact O-N 3.47Å; L571-Q573 VanDerWaalsContact O-N 3.12Å; Q573-G575 PolarHBondContact O-N 3.01Å; Q573-G575 VanDerWaalsContact O-N 3.09Å; Q573-A612 WeakPolarHBondContact O-CA 3.36Å; Q573-Q613 HydrophobicContact CB-CB 3.88Å; Q573-Q613 HydrophobicContact CB-CG 4.15Å; Q573-Q613 PolarHBondContact O-N 3.44Å; Q573-Q613 VanDerWaalsContact O-N 3.15Å; Q573-A975 HydrophobicContact CB-CB 4.36Å; Q573-A975 HydrophobicContact CG-CB 3.9Å
574	N	93.9	Very high	94	Very high	65 Å²	65	36.3 Å²	36.3	35%	0.348	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	30.3	173	-43.8	-71.2	0	0	0	114	Y570 L571 D576 N577 W608 A612	Y570-N574 PolarHBondContact O-N 3.45Å; L571-N574 PolarHBondContact O-N 3.32Å; N574-D576 VanDerWaalsContact C-OD1 3.32Å; N574-D576 WeakPolarHBondContact CA-OD1 3.29Å; N574-D576 PolarHBondContact O-N 3.09Å; N574-D576 VanDerWaalsContact O-N 3.15Å; N574-N577 WeakPolarHBondContact O-CB 3.4Å; N574-N577 PolarHBondContact O-N 3.41Å; N574-N577 VanDerWaalsContact O-N 3.09Å; N574-W608 HydrophobicContact CB-CH2 3.93Å; N574-W608 HydrophobicContact CB-CZ2 3.9Å; N574-A612 WeakPolarHBondContact O-CB 3.42Å
575	G	90.8	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.6	179.5	0	0	0	0	0	113.6	P569 Y570 Q573 N577 I578 Q613	P569-G575 VanDerWaalsContact CB-O 3.27Å; P569-G575 WeakPolarHBondContact CB-O 3.48Å; Y570-G575 PolarHBondContact O-N 3.23Å; Q573-G575 PolarHBondContact O-N 3.01Å; Q573-G575 VanDerWaalsContact O-N 3.09Å; G575-N577 PolarHBondContact O-N 2.79Å; G575-I578 WeakPolarHBondContact O-CG1 3.47Å; G575-I578 PolarHBondContact O-N 3.18Å; G575-Q613 WeakPolarHBondContact CA-O 3.16Å
576	D	93.4	Very high	93.9	Very high	55 Å²	55	32.8 Å²	32.8	29%	0.294	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-72.7	-7.9	176.7	66.3	-45.5	0	0	0	113.2	L571 N574 I578 K604	L571-D576 HydrophobicContact CD2-CB 4.08Å; N574-D576 VanDerWaalsContact C-OD1 3.32Å; N574-D576 WeakPolarHBondContact CA-OD1 3.29Å; N574-D576 PolarHBondContact O-N 3.09Å; N574-D576 VanDerWaalsContact O-N 3.15Å; D576-I578 VanDerWaalsContact C-N 3.32Å; D576-K604 VanDerWaalsContact CG-NZ 3.26Å; D576-K604 WeakPolarHBondContact O-CE 3.16Å; D576-K604 PolarHBondContact O-NZ 3.29Å; D576-K604 IonicContact OD2-NZ 3.47Å; D576-K604 PolarHBondContact OD2-NZ 3.41Å
577	N	95.1	Very high	93.9	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.08	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-83.9	-3.6	174.6	-71.9	-19.5	0	0	0	113.9	N574 G575 A602 K604 A605 I646	N574-N577 WeakPolarHBondContact O-CB 3.4Å; N574-N577 PolarHBondContact O-N 3.41Å; N574-N577 VanDerWaalsContact O-N 3.09Å; G575-N577 PolarHBondContact O-N 2.79Å; N577-A602 WeakPolarHBondContact O-CB 3.4Å; N577-A602 PolarHBondContact O-N 3.38Å; N577-K604 VanDerWaalsContact OD1-CE 3.32Å; N577-K604 WeakPolarHBondContact OD1-CE 3.31Å; N577-A605 HydrophobicContact CB-CB 3.71Å; N577-I646 HydrophobicContact CB-CD1 3.96Å
578	I	95.4	Very high	93.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.6	177.6	55.5	171.6	0	0	0	111.1	W567 G575 D576 V580 S600 A612 I642 I646	W567-I578 HydrophobicContact CH2-CD1 3.46Å; W567-I578 VanDerWaalsContact CH2-CD1 3.46Å; W567-I578 HydrophobicContact CH2-CG1 4.11Å; W567-I578 HydrophobicContact CZ2-CD1 3.49Å; W567-I578 VanDerWaalsContact CZ2-CD1 3.49Å; W567-I578 HydrophobicContact CZ2-CG1 3.57Å; G575-I578 WeakPolarHBondContact O-CG1 3.47Å; G575-I578 PolarHBondContact O-N 3.18Å; D576-I578 VanDerWaalsContact C-N 3.32Å; I578-V580 HydrophobicContact CD1-CG2 4.5Å; I578-S600 WeakPolarHBondContact CA-O 3.37Å; I578-A612 HydrophobicContact CD1-CB 4.38Å; I578-A612 HydrophobicContact CG1-CB 4.32Å; I578-A612 HydrophobicContact CG2-CB 3.73Å; I578-I642 HydrophobicContact CD1-CG2 4.38Å; I578-I646 HydrophobicContact CG2-CD1 3.58Å; I578-I646 HydrophobicContact CG2-CG1 4.32Å
579	D	95.4	Very high	93.8	Very high	58 Å²	58	39.5 Å²	39.5	31%	0.31	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.8	171.8	-68.4	-40.6	0	0	0	108.4	S600 A602 W965	D579-S600 PolarHBondContact N-O 3.02Å; D579-S600 PolarHBondContact O-N 2.83Å; D579-A602 VanDerWaalsContact OD2-CA 3.31Å; D579-A602 WeakPolarHBondContact OD2-CA 3.33Å; D579-W965 HydrophobicContact CB-CD2 4.26Å; D579-W965 HydrophobicContact CB-CE3 3.67Å; D579-W965 HydrophobicContact CB-CZ3 3.95Å
580	V	96.1	Very high	93.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.3	-178	179.9	0	0	0	0	109	W567 I578 V582 V597 S598 V616 I642 A966	W567-V580 HydrophobicContact CD2-CB 3.92Å; W567-V580 HydrophobicContact CD2-CG2 3.76Å; W567-V580 HydrophobicContact CE3-CB 4.12Å; W567-V580 HydrophobicContact CE3-CG1 4.43Å; W567-V580 HydrophobicContact CE3-CG2 3.82Å; W567-V580 HydrophobicContact CG-CB 4.11Å; W567-V580 HydrophobicContact CG-CG2 4.42Å; W567-V580 HydrophobicContact CH2-CG2 3.94Å; W567-V580 HydrophobicContact CZ2-CG2 3.91Å; W567-V580 HydrophobicContact CZ3-CG2 3.9Å; I578-V580 HydrophobicContact CD1-CG2 4.5Å; V580-V582 HydrophobicContact CG1-CG2 3.99Å; V580-V597 HydrophobicContact CG1-CG1 3.76Å; V580-S598 WeakPolarHBondContact CA-O 3.43Å; V580-V616 HydrophobicContact CG1-CG2 3.99Å; V580-I642 HydrophobicContact CG1-CD1 4.38Å; V580-I642 HydrophobicContact CG2-CD1 4.42Å; V580-A966 VanDerWaalsContact O-CB 3.26Å; V580-A966 WeakPolarHBondContact O-CB 3.19Å; V580-A966 PolarHBondContact O-N 3.41Å
581	A	95.5	Very high	93.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.3	167.3	0	0	0	0	0	109	S598 L963 W965	A581-S598 PolarHBondContact N-O 2.86Å; A581-S598 PolarHBondContact O-N 3.5Å; A581-L963 HydrophobicContact CB-CB 3.86Å; A581-L963 HydrophobicContact CB-CD2 4.33Å; A581-L963 HydrophobicContact CB-CG 4.47Å; A581-W965 HydrophobicContact CB-CD2 4.31Å; A581-W965 HydrophobicContact CB-CE3 3.76Å; A581-W965 HydrophobicContact CB-CZ3 3.99Å
582	V	94.2	Very high	93.8	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.7	-174.4	-173.2	0	0	0	0	109.4	P565 V580 Y584 L595 A596 V616	P565-V582 HydrophobicContact CB-CB 4.19Å; P565-V582 HydrophobicContact CB-CG1 3.87Å; P565-V582 HydrophobicContact CB-CG2 4.32Å; P565-V582 HydrophobicContact CG-CB 4.44Å; P565-V582 HydrophobicContact CG-CG1 3.8Å; V580-V582 HydrophobicContact CG1-CG2 3.99Å; V582-Y584 HydrophobicContact CG1-CD1 4.32Å; V582-L595 HydrophobicContact CG1-CD1 3.27Å; V582-L595 HydrophobicContact CG1-CG 4.05Å; V582-A596 WeakPolarHBondContact CA-O 3.33Å; V582-V616 HydrophobicContact CG2-CG1 4.19Å; V582-V616 HydrophobicContact CG2-CG2 4.28Å
583	S	92.5	Very high	93.9	Very high	54 Å²	54	33.6 Å²	33.6	38%	0.378	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	171.5	-61.8	0	0	0	0	108.9	L595 A596	S583-L595 CarbonylContact O-C 3.54Å; S583-A596 PolarHBondContact N-O 2.81Å; S583-A596 PolarHBondContact O-N 3.09Å
584	Y	93.3	Very high	94	Very high	60 Å²	60	36.3 Å²	36.3	24%	0.235	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	156.4	-171	58.1	-91.2	0	0	0	113	I561 K564 P565 V582 Y594	I561-Y584 HydrophobicContact CB-CD2 4.24Å; I561-Y584 HydrophobicContact CB-CE2 4.17Å; I561-Y584 HydrophobicContact CD1-CD2 3.56Å; I561-Y584 HydrophobicContact CD1-CE2 4.33Å; I561-Y584 HydrophobicContact CD1-CG 3.98Å; I561-Y584 HydrophobicContact CG1-CD2 4.43Å; I561-Y584 HydrophobicContact CG2-CD2 4.25Å; I561-Y584 HydrophobicContact CG2-CE2 4Å; K564-Y584 WeakPolarHBondContact CG-OH 3.45Å; P565-Y584 HydrophobicContact CG-CD1 3.72Å; P565-Y584 HydrophobicContact CG-CE1 3.86Å; P565-Y584 HydrophobicContact CG-CG 4.35Å; V582-Y584 HydrophobicContact CG1-CD1 4.32Å; Y584-Y594 VanDerWaalsContact CA-O 3.31Å; Y584-Y594 WeakPolarHBondContact CA-O 3.08Å
585	S	92.8	Very high	94	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.07	17%	0.174	C	C	.	.			trans	-73.9	124.3	170.9	52.2	0	0	0	0	110.6	I561 V587 L588 G593 Y594	I561-S585 WeakPolarHBondContact CD1-O 3.48Å; S585-V587 VanDerWaalsContact C-N 3.28Å; S585-V587 WeakPolarHBondContact CB-O 3.12Å; S585-V587 PolarHBondContact O-N 3.29Å; S585-L588 WeakPolarHBondContact OG-CD2 3.13Å; S585-G593 WeakPolarHBondContact OG-CA 3.39Å; S585-Y594 PolarHBondContact N-O 2.67Å; S585-Y594 VanDerWaalsContact N-O 3.09Å; S585-Y594 PolarHBondContact OG-N 2.94Å; S585-Y594 PolarHBondContact OG-O 3.44Å
586	P	91.1	Very high	94.1	Very high	90 Å²	90	33.7 Å²	33.7	58%	0.584	18%	0.178	S	C	*	.	S	Bend	trans	-66.5	-33.1	179.1	26.1	-33.6	0	0	0	112.3	R560 I561	R560-P586 WeakPolarHBondContact CA-O 3Å; I561-P586 PolarHBondContact N-O 2.93Å
587	V	94.3	Very high	94.2	Very high	92 Å²	92	31.1 Å²	31.1	56%	0.558	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.2	177.8	-178.3	0	0	0	0	108.6	G559 S585 W589	G559-V587 CarbonylContact O-C 3.35Å; G559-V587 WeakPolarHBondContact O-CA 3.47Å; S585-V587 VanDerWaalsContact C-N 3.28Å; S585-V587 WeakPolarHBondContact CB-O 3.12Å; S585-V587 PolarHBondContact O-N 3.29Å; V587-W589 HydrophobicContact CG1-CB 4.46Å
588	L	94.7	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.7	171.7	-45	-179.6	0	0	0	107.3	I551 N553 T558 G559 S585 S592 V620	I551-L588 HydrophobicContact CB-CD2 4.41Å; I551-L588 HydrophobicContact CD1-CD2 4.16Å; I551-L588 HydrophobicContact CG2-CD1 3.84Å; N553-L588 HydrophobicContact CB-CD1 4.05Å; T558-L588 WeakPolarHBondContact CA-O 3.1Å; G559-L588 PolarHBondContact N-O 3.41Å; G559-L588 PolarHBondContact O-N 3.32Å; S585-L588 WeakPolarHBondContact OG-CD2 3.13Å; L588-S592 WeakPolarHBondContact CA-O 3.38Å; L588-V620 HydrophobicContact CD1-CG1 3.52Å; L588-V620 HydrophobicContact CD1-CG2 4.12Å
589	W	93.8	Very high	94.2	Very high	125 Å²	125	30.5 Å²	30.5	47%	0.473	16%	0.162	S	C	.	.			trans	-156.8	135.9	178.6	179.7	82.9	0	0	0	110.6	W356 V587 S592	W356-W589 HydrophobicContact CB-CH2 3.81Å; W356-W589 HydrophobicContact CB-CZ3 4.02Å; W356-W589 HydrophobicContact CD2-CZ3 4.17Å; W356-W589 HydrophobicContact CE3-CH2 4.22Å; W356-W589 AromaticContact CE3-CZ3 3.72Å; W356-W589 HydrophobicContact CE3-CZ3 3.72Å; W356-W589 HydrophobicContact CG-CZ3 4.35Å; V587-W589 HydrophobicContact CG1-CB 4.46Å; W589-S592 PolarHBondContact N-O 3.12Å; W589-S592 VanDerWaalsContact N-O 3.14Å
590	P	93.8	Very high	94.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.153	C	C	.	.	S	Bend	cis	-71.8	-52.9	-6.4	-19.7	33	0	0	0	113.5	W356 A360 V557	W356-P590 HydrophobicContact CB-CG 3.84Å; W356-P590 HydrophobicContact CG-CG 4.48Å; W356-P590 WeakPolarHBondContact O-CG 3.5Å; A360-P590 HydrophobicContact CB-CB 3.97Å; A360-P590 HydrophobicContact CB-CG 4.34Å; V557-P590 CarbonylContact C-O 3.58Å; V557-P590 WeakPolarHBondContact CA-O 3.3Å; V557-P590 HydrophobicContact CG1-CB 4.32Å; V557-P590 CarbonylContact O-C 3.54Å
591	W	94.6	Very high	94.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	15%	0.153	C	C	.	.	S	Bend	trans	-120.1	-0.4	-176.5	-57.7	95.4	0	0	0	113	T359 K362 D387 N471 P472 A473 N553 G556 V557	T359-W591 PolarHBondContact O-NE1 2.94Å; K362-W591 HydrophobicContact CG-CH2 4.34Å; K362-W591 HydrophobicContact CG-CZ2 4.01Å; D387-W591 WeakPolarHBondContact OD1-CA 3.37Å; D387-W591 WeakPolarHBondContact OD1-CB 3.45Å; D387-W591 PolarHBondContact OD1-N 2.79Å; N471-W591 HydrophobicContact CB-CH2 3.68Å; N471-W591 HydrophobicContact CB-CZ2 4.08Å; N471-W591 HydrophobicContact CB-CZ3 3.98Å; P472-W591 HydrophobicContact CB-CG 4.37Å; A473-W591 HydrophobicContact CB-CB 3.83Å; A473-W591 HydrophobicContact CB-CD2 4.45Å; A473-W591 HydrophobicContact CB-CE3 4.14Å; A473-W591 HydrophobicContact CB-CG 4.37Å; N553-W591 WeakPolarHBondContact CB-O 3.47Å; N553-W591 PolarHBondContact N-O 3.33Å; G556-W591 WeakPolarHBondContact O-CZ3 3.4Å; V557-W591 HydrophobicContact CB-CH2 4.3Å; V557-W591 HydrophobicContact CB-CZ2 4.22Å; V557-W591 HydrophobicContact CG2-CH2 3.48Å; V557-W591 VanDerWaalsContact CG2-CH2 3.48Å; V557-W591 HydrophobicContact CG2-CZ2 3.44Å; V557-W591 VanDerWaalsContact CG2-CZ2 3.44Å; V557-W591 HydrophobicContact CG2-CZ3 4.27Å
592	S	95.3	Very high	94.1	Very high	9 Å²	9	29 Å²	29	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.6	-173.7	65.3	0	0	0	0	113	M386 D387 I551 L588 W589	M386-S592 WeakPolarHBondContact CB-OG 3.47Å; D387-S592 VanDerWaalsContact CG-OG 3.29Å; D387-S592 WeakPolarHBondContact OD1-CB 3.34Å; D387-S592 PolarHBondContact OD1-N 3.24Å; D387-S592 VanDerWaalsContact OD1-N 3.09Å; D387-S592 PolarHBondContact OD1-OG 3.08Å; D387-S592 PolarHBondContact OD2-OG 2.84Å; I551-S592 CarbonylContact O-C 3.28Å; I551-S592 WeakPolarHBondContact O-CA 3.42Å; I551-S592 WeakPolarHBondContact O-CB 3.31Å; L588-S592 WeakPolarHBondContact CA-O 3.38Å; W589-S592 PolarHBondContact N-O 3.12Å; W589-S592 VanDerWaalsContact N-O 3.14Å
593	G	94.4	Very high	94.1	Very high	10 Å²	10	35.9 Å²	35.9	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	-171.7	167	0	0	0	0	0	110.1	I551 S585	I551-G593 PolarHBondContact N-O 2.66Å; I551-G593 PolarHBondContact O-N 3.33Å; S585-G593 WeakPolarHBondContact OG-CA 3.39Å
594	Y	93.2	Very high	94.1	Very high	99 Å²	99	39.3 Å²	39.3	39%	0.388	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.7	-175.5	77.3	-93.3	0	0	0	112.2	Y584 S585 A596	Y584-Y594 VanDerWaalsContact CA-O 3.31Å; Y584-Y594 WeakPolarHBondContact CA-O 3.08Å; S585-Y594 PolarHBondContact N-O 2.67Å; S585-Y594 VanDerWaalsContact N-O 3.09Å; S585-Y594 PolarHBondContact OG-N 2.94Å; S585-Y594 PolarHBondContact OG-O 3.44Å; Y594-A596 HydrophobicContact CD2-CB 4.49Å
595	L	93.9	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	99.9	172.3	-175.9	76.1	0	0	0	107.4	L517 V549 I551 P565 V582 S583 V597 V618 L640	L517-L595 HydrophobicContact CD2-CD2 4.33Å; V549-L595 WeakPolarHBondContact CA-O 3.25Å; V549-L595 HydrophobicContact CB-CB 4.22Å; V549-L595 WeakPolarHBondContact CB-O 3.47Å; V549-L595 PolarHBondContact N-O 2.76Å; V549-L595 PolarHBondContact O-N 3.46Å; I551-L595 HydrophobicContact CD1-CB 4.03Å; I551-L595 HydrophobicContact CG1-CB 3.95Å; P565-L595 HydrophobicContact CG-CD1 4.14Å; V582-L595 HydrophobicContact CG1-CD1 3.27Å; V582-L595 HydrophobicContact CG1-CG 4.05Å; S583-L595 CarbonylContact O-C 3.54Å; L595-V597 HydrophobicContact CD2-CG2 4.32Å; L595-V597 HydrophobicContact CG-CG2 4.21Å; L595-V618 HydrophobicContact CD1-CG2 4Å; L595-V618 HydrophobicContact CD2-CG2 3.92Å; L595-L640 HydrophobicContact CD2-CD2 4.08Å
596	A	93.2	Very high	94.2	Very high	11 Å²	11	37.4 Å²	37.4	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.3	174.8	0	0	0	0	0	109.2	I546 N548 V582 S583 Y594	I546-A596 HydrophobicContact CG2-CB 4.37Å; N548-A596 WeakPolarHBondContact OD1-CB 3.33Å; V582-A596 WeakPolarHBondContact CA-O 3.33Å; S583-A596 PolarHBondContact N-O 2.81Å; S583-A596 PolarHBondContact O-N 3.09Å; Y594-A596 HydrophobicContact CD2-CB 4.49Å
597	V	95	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.6	-179.9	-176.1	0	0	0	0	108.7	I522 I546 V547 V580 L595 I599 L640 I642	I522-V597 HydrophobicContact CD1-CB 4.1Å; I522-V597 HydrophobicContact CD1-CG1 4.29Å; I522-V597 HydrophobicContact CD1-CG2 4.26Å; I546-V597 WeakPolarHBondContact CA-O 3.47Å; V547-V597 PolarHBondContact N-O 3.14Å; V547-V597 PolarHBondContact O-N 3.4Å; V580-V597 HydrophobicContact CG1-CG1 3.76Å; L595-V597 HydrophobicContact CD2-CG2 4.32Å; L595-V597 HydrophobicContact CG-CG2 4.21Å; V597-I599 HydrophobicContact CG1-CD1 4.4Å; V597-I599 HydrophobicContact CG1-CG1 3.96Å; V597-L640 HydrophobicContact CG2-CD2 3.78Å; V597-I642 HydrophobicContact CG1-CD1 3.72Å
598	S	94.8	Very high	94.5	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120	175.6	-53.9	0	0	0	0	109.6	T545 V580 A581	T545-S598 WeakPolarHBondContact O-CA 3.48Å; V580-S598 WeakPolarHBondContact CA-O 3.43Å; A581-S598 PolarHBondContact N-O 2.86Å; A581-S598 PolarHBondContact O-N 3.5Å
599	I	95.5	Very high	94.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.7	-175.3	-52.8	171.5	0	0	0	109.1	I522 I538 P544 T545 V597 I642 V644	I522-I599 HydrophobicContact CG2-CD1 4.23Å; I538-I599 HydrophobicContact CD1-CG2 3.89Å; P544-I599 WeakPolarHBondContact CA-O 3.41Å; T545-I599 PolarHBondContact N-O 2.81Å; T545-I599 PolarHBondContact O-N 3.34Å; V597-I599 HydrophobicContact CG1-CD1 4.4Å; V597-I599 HydrophobicContact CG1-CG1 3.96Å; I599-I642 HydrophobicContact CD1-CG2 3.79Å; I599-V644 HydrophobicContact CD1-CG2 4.22Å; I599-V644 HydrophobicContact CG2-CG2 4.17Å
600	S	95.3	Very high	94.6	Very high	19 Å²	19	38.1 Å²	38.1	13%	0.133	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	166	172.3	-169.3	0	0	0	0	111.3	I578 D579 W965	I578-S600 WeakPolarHBondContact CA-O 3.37Å; D579-S600 PolarHBondContact N-O 3.02Å; D579-S600 PolarHBondContact O-N 2.83Å; S600-W965 VanDerWaalsContact CB-CH2 3.42Å
601	V	96.1	Very high	94.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.4	179.2	179.9	0	0	0	0	109.4	I538 Y539 Y540 A605 I646	I538-V601 HydrophobicContact CB-CG2 4.19Å; I538-V601 HydrophobicContact CD1-CG2 3.49Å; I538-V601 VanDerWaalsContact CD1-CG2 3.49Å; I538-V601 HydrophobicContact CG1-CG2 3.55Å; Y539-V601 VanDerWaalsContact C-CG2 3.49Å; Y540-V601 WeakPolarHBondContact CD2-O 3.14Å; V601-A605 HydrophobicContact CG1-CB 3.74Å; V601-I646 HydrophobicContact CG1-CD1 4.26Å; V601-I646 HydrophobicContact CG1-CG2 3.85Å; V601-I646 HydrophobicContact CG2-CD1 4.33Å; V601-I646 HydrophobicContact CG2-CG1 4.31Å; V601-I646 HydrophobicContact CG2-CG2 3.92Å
602	A	94.6	Very high	94.7	Very high	7 Å²	7	41.6 Å²	41.6	6%	0.058	22%	0.217	C	C	.	.			trans	-67.7	146.4	176.2	0	0	0	0	0	111.3	N577 D579 K604 A605	N577-A602 WeakPolarHBondContact O-CB 3.4Å; N577-A602 PolarHBondContact O-N 3.38Å; D579-A602 VanDerWaalsContact OD2-CA 3.31Å; D579-A602 WeakPolarHBondContact OD2-CA 3.33Å; A602-K604 HydrophobicContact CB-CG 4.22Å; A602-K604 PolarHBondContact O-N 3Å; A602-A605 PolarHBondContact O-N 2.97Å
603	K	93.4	Very high	94.7	Very high	158 Å²	158	42.8 Å²	42.8	69%	0.687	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-53.6	-34	-178.5	-175.4	173.8	-177.3	177.6	0	114.2	Y540 A605 A606	Y540-K603 HydrophobicContact CD2-CB 4.4Å; Y540-K603 HydrophobicContact CE1-CG 4.36Å; Y540-K603 VanDerWaalsContact CE2-CA 3.49Å; Y540-K603 HydrophobicContact CE2-CB 3.71Å; Y540-K603 HydrophobicContact CE2-CG 4.08Å; K603-A605 PolarHBondContact O-N 3.41Å; K603-A606 WeakPolarHBondContact O-CB 3.35Å; K603-A606 PolarHBondContact O-N 3.47Å
604	K	93.6	Very high	94.8	Very high	126 Å²	126	42.3 Å²	42.3	55%	0.548	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-66.5	-20.8	177.7	66.5	179.1	177.8	-173.3	0	113.7	D576 N577 A602	D576-K604 VanDerWaalsContact CG-NZ 3.26Å; D576-K604 WeakPolarHBondContact O-CE 3.16Å; D576-K604 PolarHBondContact O-NZ 3.29Å; D576-K604 IonicContact OD2-NZ 3.47Å; D576-K604 PolarHBondContact OD2-NZ 3.41Å; N577-K604 VanDerWaalsContact OD1-CE 3.32Å; N577-K604 WeakPolarHBondContact OD1-CE 3.31Å; A602-K604 HydrophobicContact CB-CG 4.22Å; A602-K604 PolarHBondContact O-N 3Å
605	A	94.4	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-100.6	15.6	-178.1	0	0	0	0	0	112.7	N577 V601 A602 K603 S607 W608	N577-A605 HydrophobicContact CB-CB 3.71Å; V601-A605 HydrophobicContact CG1-CB 3.74Å; A602-A605 PolarHBondContact O-N 2.97Å; K603-A605 PolarHBondContact O-N 3.41Å; A605-S607 VanDerWaalsContact C-N 3.28Å; A605-S607 PolarHBondContact O-N 2.92Å; A605-W608 HydrophobicContact CB-CB 4.03Å; A605-W608 PolarHBondContact O-N 2.6Å; A605-W608 VanDerWaalsContact O-N 3.09Å
606	A	94.1	Very high	95	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.4	-177.3	0	0	0	0	0	114.5	Y540 K603 P648 T649	Y540-A606 HydrophobicContact CD1-CB 3.59Å; Y540-A606 HydrophobicContact CE1-CB 4.41Å; Y540-A606 HydrophobicContact CG-CB 3.8Å; K603-A606 WeakPolarHBondContact O-CB 3.35Å; K603-A606 PolarHBondContact O-N 3.47Å; A606-P648 WeakPolarHBondContact O-CA 3.25Å; A606-T649 PolarHBondContact O-N 2.83Å; A606-T649 VanDerWaalsContact O-N 3.13Å; A606-T649 PolarHBondContact O-OG1 3.37Å
607	S	94.8	Very high	95.1	Very high	105 Å²	105	38.9 Å²	38.9	73%	0.734	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	8.2	176.3	56.8	0	0	0	0	113.2	A605	A605-S607 VanDerWaalsContact C-N 3.28Å; A605-S607 PolarHBondContact O-N 2.92Å
608	W	95.8	Very high	95.1	Very high	66 Å²	66	39 Å²	39	25%	0.25	20%	0.204	C	C	.	.			trans	-90.5	145.8	-175.3	-176	81.6	0	0	0	111.3	N574 A605 G610 I646 V647	N574-W608 HydrophobicContact CB-CH2 3.93Å; N574-W608 HydrophobicContact CB-CZ2 3.9Å; A605-W608 HydrophobicContact CB-CB 4.03Å; A605-W608 PolarHBondContact O-N 2.6Å; A605-W608 VanDerWaalsContact O-N 3.09Å; W608-G610 VanDerWaalsContact CH2-C 3.41Å; W608-G610 VanDerWaalsContact CH2-CA 3.43Å; W608-I646 HydrophobicContact CE3-CB 3.79Å; W608-I646 HydrophobicContact CE3-CD1 3.92Å; W608-I646 HydrophobicContact CE3-CG1 4.31Å; W608-I646 HydrophobicContact CE3-CG2 4.03Å; W608-I646 HydrophobicContact CZ3-CB 3.75Å; W608-I646 HydrophobicContact CZ3-CD1 3.65Å; W608-I646 HydrophobicContact CZ3-CG1 3.93Å; W608-I646 HydrophobicContact CZ3-CG2 4.47Å; W608-V647 CarbonylContact O-C 3.59Å
609	E	96.1	Very high	95.1	Very high	128 Å²	128	40.7 Å²	40.7	60%	0.598	21%	0.214	S	C	*	.			trans	-124.8	132.7	173.7	-168	178.4	173	0	0	109.5	P648	E609-P648 HydrophobicContact CB-CG 4.34Å
610	G	95.1	Very high	95.1	Very high	23 Å²	23	40.7 Å²	40.7	24%	0.237	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-166.1	175.8	0	0	0	0	0	113.6	W608 I646	W608-G610 VanDerWaalsContact CH2-C 3.41Å; W608-G610 VanDerWaalsContact CH2-CA 3.43Å; G610-I646 PolarHBondContact N-O 3.15Å; G610-I646 VanDerWaalsContact N-O 3.09Å; G610-I646 PolarHBondContact O-N 3.18Å
611	I	95.4	Very high	95.1	Very high	76 Å²	76	39.9 Å²	39.9	39%	0.39	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.5	177.6	-60.2	173.5	0	0	0	108.6	T525 Q613 K643 V644	T525-I611 HydrophobicContact CG2-CD1 4.49Å; I611-Q613 HydrophobicContact CG2-CG 4.19Å; I611-K643 HydrophobicContact CG2-CD 4.35Å; I611-K643 HydrophobicContact CG2-CG 3.84Å; I611-V644 WeakPolarHBondContact CA-O 3.33Å
612	A	95.1	Very high	94.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.8	174.2	0	0	0	0	0	110.1	Q573 N574 I578 V644 I646	Q573-A612 WeakPolarHBondContact O-CA 3.36Å; N574-A612 WeakPolarHBondContact O-CB 3.42Å; I578-A612 HydrophobicContact CD1-CB 4.38Å; I578-A612 HydrophobicContact CG1-CB 4.32Å; I578-A612 HydrophobicContact CG2-CB 3.73Å; A612-V644 PolarHBondContact N-O 2.99Å; A612-V644 PolarHBondContact O-N 2.78Å; A612-I646 HydrophobicContact CB-CD1 3.91Å; A612-I646 HydrophobicContact CB-CG1 4.46Å
613	Q	95.3	Very high	94.6	Very high	34 Å²	34	42.9 Å²	42.9	16%	0.159	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.2	179.7	-57.5	-174.5	33.1	0	0	112.7	Y570 Q573 G575 I611 I642 K643 A975	Y570-Q613 HydrophobicContact CD2-CB 4.24Å; Y570-Q613 PolarHBondContact N-O 2.84Å; Y570-Q613 VanDerWaalsContact N-O 3.09Å; Q573-Q613 HydrophobicContact CB-CB 3.88Å; Q573-Q613 HydrophobicContact CB-CG 4.15Å; Q573-Q613 PolarHBondContact O-N 3.44Å; Q573-Q613 VanDerWaalsContact O-N 3.15Å; G575-Q613 WeakPolarHBondContact CA-O 3.16Å; I611-Q613 HydrophobicContact CG2-CG 4.19Å; Q613-I642 VanDerWaalsContact CA-O 3.32Å; Q613-I642 WeakPolarHBondContact CA-O 3.29Å; Q613-K643 HydrophobicContact CG-CB 4.12Å; Q613-K643 HydrophobicContact CG-CD 4.26Å; Q613-K643 HydrophobicContact CG-CG 3.94Å; Q613-A975 HydrophobicContact CB-CB 4.11Å
614	G	95.1	Very high	93.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-166.9	170.9	0	0	0	0	0	110.4	Q568 Y570 I642	Q568-G614 WeakPolarHBondContact O-CA 3.45Å; Y570-G614 VanDerWaalsContact CD2-CA 3.46Å; G614-I642 PolarHBondContact N-O 3.2Å; G614-I642 PolarHBondContact O-N 2.95Å
615	H	95.8	Very high	92.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.8	171.7	68.7	-72.5	0	0	0	112.5	W567 Q568 Y570 L640	W567-H615 VanDerWaalsContact CE3-O 3.25Å; W567-H615 VanDerWaalsContact CZ3-N 3.3Å; Q568-H615 PolarHBondContact N-O 2.95Å; Q568-H615 PolarHBondContact O-N 3.23Å; Q568-H615 PolarHBondContact O-ND1 3.1Å; Q568-H615 PolarHBondContact OE1-CE1 3.37Å; Q568-H615 PolarHBondContact OE1-NE2 3.25Å; Q568-H615 VanDerWaalsContact OE1-NE2 3.08Å; Y570-H615 AromaticContact CE2-ND1 3.82Å; Y570-H615 AromaticContact CZ-CE1 3.95Å; Y570-H615 AromaticContact CZ-ND1 3.42Å; Y570-H615 PolarHBondContact OH-ND1 2.88Å; Y570-H615 VanDerWaalsContact OH-ND1 3.16Å; H615-L640 CarbonylContact C-O 2.94Å; H615-L640 WeakPolarHBondContact CA-O 3.17Å; H615-L640 VanDerWaalsContact CB-O 3.3Å; H615-L640 WeakPolarHBondContact CB-O 3.36Å
616	V	96.4	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.6	170.5	176.9	0	0	0	0	108.3	P565 I566 W567 V580 V582 V618 L640 I642	P565-V616 HydrophobicContact CB-CG1 3.78Å; I566-V616 CarbonylContact O-C 3.56Å; I566-V616 WeakPolarHBondContact O-CA 3.49Å; W567-V616 HydrophobicContact CE3-CG2 3.82Å; W567-V616 HydrophobicContact CZ3-CG2 4.31Å; V580-V616 HydrophobicContact CG1-CG2 3.99Å; V582-V616 HydrophobicContact CG2-CG1 4.19Å; V582-V616 HydrophobicContact CG2-CG2 4.28Å; V616-V618 HydrophobicContact CG1-CG2 4.11Å; V616-L640 HydrophobicContact CB-CB 4.36Å; V616-L640 PolarHBondContact N-O 2.66Å; V616-L640 PolarHBondContact O-N 3.49Å; V616-I642 HydrophobicContact CG2-CD1 3.75Å
617	M	95.4	Very high	88.4	Confident	36 Å²	36	47 Å²	47	18%	0.177	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.3	170.5	-60.1	-153.8	-44.4	0	0	110.5	P565 I566 Q568 V638 K639	P565-M617 WeakPolarHBondContact CA-O 3.32Å; I566-M617 HydrophobicContact CD1-CE 4.43Å; I566-M617 PolarHBondContact N-O 3.3Å; I566-M617 PolarHBondContact O-N 2.96Å; Q568-M617 PolarHBondContact OE1-SD 3.16Å; M617-V638 WeakPolarHBondContact CA-O 3.09Å; M617-K639 HydrophobicContact CG-CG 4.21Å; M617-K639 HydrophobicContact SD-CG 4.37Å
618	V	95.1	Very high	86.1	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.2	175.1	-176.5	0	0	0	0	108.7	I561 P565 L595 V616 V620 T637 V638	I561-V618 HydrophobicContact CD1-CG1 4.17Å; I561-V618 HydrophobicContact CG1-CG1 4.34Å; I561-V618 HydrophobicContact CG2-CG1 4.19Å; P565-V618 HydrophobicContact CB-CG2 3.99Å; P565-V618 HydrophobicContact CG-CG2 4.05Å; L595-V618 HydrophobicContact CD1-CG2 4Å; L595-V618 HydrophobicContact CD2-CG2 3.92Å; V616-V618 HydrophobicContact CG1-CG2 4.11Å; V618-V620 HydrophobicContact CG1-CG2 4.34Å; V618-T637 CarbonylContact O-C 3.56Å; V618-T637 WeakPolarHBondContact O-CA 3.41Å; V618-V638 PolarHBondContact N-O 3.39Å; V618-V638 PolarHBondContact O-N 3Å
619	T	95.4	Very high	83.8	Confident	38 Å²	38	52.4 Å²	52.4	23%	0.233	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.2	174.3	-58.7	0	0	0	0	109.4	V562 T637	V562-T619 HydrophobicContact CG2-CG2 4.34Å; V562-T619 PolarHBondContact N-O 2.76Å; V562-T619 VanDerWaalsContact N-O 3.15Å; T619-T637 PolarHBondContact OG1-OG1 2.93Å
620	V	95	Very high	81.5	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.4	175.1	-178.8	0	0	0	0	108.2	A515 I551 M555 R560 L588 V618 T635 S636	A515-V620 HydrophobicContact CB-CB 3.9Å; A515-V620 HydrophobicContact CB-CG1 4.45Å; A515-V620 HydrophobicContact CB-CG2 3.86Å; I551-V620 HydrophobicContact CG2-CG2 4.08Å; M555-V620 HydrophobicContact CE-CB 4.14Å; M555-V620 HydrophobicContact CE-CG1 3.85Å; R560-V620 WeakPolarHBondContact O-CA 3.45Å; L588-V620 HydrophobicContact CD1-CG1 3.52Å; L588-V620 HydrophobicContact CD1-CG2 4.12Å; V618-V620 HydrophobicContact CG1-CG2 4.34Å; V620-T635 WeakPolarHBondContact O-CA 3.27Å; V620-S636 PolarHBondContact N-O 2.8Å; V620-S636 PolarHBondContact O-N 3.25Å
621	A	94.4	Very high	79.5	Confident	1 Å²	1	55 Å²	55	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	169.7	0	0	0	0	0	110.2	G559 R560 V562 L634 T635	G559-A621 CarbonylContact C-O 3.46Å; G559-A621 WeakPolarHBondContact CA-O 3.17Å; R560-A621 HydrophobicContact CG-CB 4.24Å; R560-A621 PolarHBondContact N-O 3.09Å; R560-A621 PolarHBondContact O-N 3.46Å; V562-A621 HydrophobicContact CG2-CB 3.35Å; A621-L634 CarbonylContact C-O 3.56Å; A621-L634 VanDerWaalsContact CA-O 3.31Å; A621-L634 WeakPolarHBondContact CA-O 3.47Å; A621-T635 HydrophobicContact CB-CG2 3.98Å
622	S	92.5	Very high	78.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	173.6	-79.1	0	0	0	0	110.9	N553 T558 G559 A624 E633 L634	N553-S622 PolarHBondContact ND2-OG 2.94Å; N553-S622 PolarHBondContact OD1-OG 2.77Å; T558-S622 WeakPolarHBondContact O-CB 3.35Å; T558-S622 PolarHBondContact O-OG 3.46Å; G559-S622 WeakPolarHBondContact CA-OG 3.47Å; S622-A624 PolarHBondContact O-N 2.82Å; S622-E633 CarbonylContact O-C 3.16Å; S622-E633 WeakPolarHBondContact O-CA 3.18Å; S622-L634 PolarHBondContact N-O 3.18Å; S622-L634 PolarHBondContact O-N 3.46Å
623	P	87.4	Confident	77.7	Confident	73 Å²	73	58.1 Å²	58.1	47%	0.474	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	135.6	167.8	-17.9	30.9	0	0	0	109.8
624	A	72.6	Confident	77.4	Confident	39 Å²	39	60 Å²	60	32%	0.322	36%	0.358	S	S	.	.			trans	-67.1	137	169.4	0	0	0	0	0	109.9	S622 N626 G632 L634	S622-A624 PolarHBondContact O-N 2.82Å; A624-N626 PolarHBondContact O-N 2.78Å; A624-G632 WeakPolarHBondContact CB-O 3.43Å; A624-G632 PolarHBondContact N-O 3.37Å; A624-G632 VanDerWaalsContact N-O 3.16Å; A624-L634 HydrophobicContact CB-CG 4.38Å
625	E	66	Low	77.3	Confident	81 Å²	81	64.5 Å²	64.5	38%	0.379	39%	0.385	S	S	.	.	S	Bend	trans	-75.7	-9.1	178.2	-68.7	-172	157.6	0	0	113.5	K362	K362-E625 WeakPolarHBondContact CE-OE1 3.18Å; K362-E625 WeakPolarHBondContact CE-OE2 3.38Å; K362-E625 IonicContact NZ-OE1 3.28Å; K362-E625 PolarHBondContact NZ-OE1 3.01Å; K362-E625 IonicContact NZ-OE2 3.41Å; K362-E625 PolarHBondContact NZ-OE2 2.65Å
626	N	58.6	Low	77.2	Confident	109 Å²	109	65.2 Å²	65.2	58%	0.583	39%	0.39	S	S	*	.			trans	-92.3	120.8	-176.7	-73.8	-0.6	0	0	0	112.3	A624 S628	A624-N626 PolarHBondContact O-N 2.78Å; N626-S628 PolarHBondContact O-N 2.92Å
627	D	49.3	Very low	77.2	Confident	170 Å²	170	69 Å²	69	91%	0.909	41%	0.413	S	S	*	.			trans	-61.8	27.4	172.4	-79.7	-29.6	0	0	0	115	E629	D627-E629 PolarHBondContact O-N 3.35Å
628	S	47	Very low	77.1	Confident	80 Å²	80	68.5 Å²	68.5	56%	0.559	41%	0.412	S	S	*	.			trans	-70.5	125.8	165.8	51.4	0	0	0	0	107.9	N626 V630	N626-S628 PolarHBondContact O-N 2.92Å; S628-V630 CarbonylContact O-C 3.54Å; S628-V630 VanDerWaalsContact O-C 3.28Å; S628-V630 PolarHBondContact O-N 2.97Å
629	E	46	Very low	77	Confident	205 Å²	205	74 Å²	74	96%	0.958	44%	0.436	S	S	*	.	S	Bend	trans	-50.1	5	-175.5	-65.2	178.6	145	0	0	116.8	D627	D627-E629 PolarHBondContact O-N 3.35Å
630	V	48.1	Very low	77.1	Confident	124 Å²	124	72.2 Å²	72.2	75%	0.752	43%	0.425	S	S	*	.	S	Bend	trans	-113.1	93.6	165.7	-172.9	0	0	0	0	107.6	S628 G632	S628-V630 CarbonylContact O-C 3.54Å; S628-V630 VanDerWaalsContact O-C 3.28Å; S628-V630 PolarHBondContact O-N 2.97Å; V630-G632 VanDerWaalsContact C-N 3.31Å; V630-G632 PolarHBondContact O-N 3.37Å
631	G	53	Low	77.1	Confident	83 Å²	83	73.3 Å²	73.3	86%	0.856	43%	0.432	S	S	*	.			trans	-61.3	85.6	176.8	0	0	0	0	0	112.4
632	G	69.4	Low	77.2	Confident	37 Å²	37	73.3 Å²	73.3	38%	0.381	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-82	132.7	177	0	0	0	0	0	111.5	A624 V630	A624-G632 WeakPolarHBondContact CB-O 3.43Å; A624-G632 PolarHBondContact N-O 3.37Å; A624-G632 VanDerWaalsContact N-O 3.16Å; V630-G632 VanDerWaalsContact C-N 3.31Å; V630-G632 PolarHBondContact O-N 3.37Å
633	E	84.2	Confident	77.3	Confident	104 Å²	104	75.3 Å²	75.3	49%	0.486	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.9	166.3	-70.8	-175.8	-171.9	0	0	109.4	R560 S622	R560-E633 IonicContact CZ-OE1 2.8Å; R560-E633 IonicContact CZ-OE2 2.78Å; R560-E633 IonicContact NE-OE2 3.68Å; R560-E633 IonicContact NH2-OE1 2.89Å; R560-E633 PolarHBondContact NH2-OE1 3.42Å; R560-E633 IonicContact NH2-OE2 2.98Å; R560-E633 PolarHBondContact NH2-OE2 3.25Å; S622-E633 CarbonylContact O-C 3.16Å; S622-E633 WeakPolarHBondContact O-CA 3.18Å
634	L	89.1	Confident	77.7	Confident	74 Å²	74	71.9 Å²	71.9	39%	0.387	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.1	169.4	-68	175.9	0	0	0	108.4	M555 A621 S622 A624	M555-L634 HydrophobicContact CB-CB 4.27Å; M555-L634 HydrophobicContact CB-CD1 4.23Å; M555-L634 HydrophobicContact CG-CB 4.35Å; M555-L634 HydrophobicContact SD-CB 3.84Å; A621-L634 CarbonylContact C-O 3.56Å; A621-L634 VanDerWaalsContact CA-O 3.31Å; A621-L634 WeakPolarHBondContact CA-O 3.47Å; S622-L634 PolarHBondContact N-O 3.18Å; S622-L634 PolarHBondContact O-N 3.46Å; A624-L634 HydrophobicContact CB-CG 4.38Å
635	T	92.6	Very high	78.8	Confident	95 Å²	95	74.5 Å²	74.5	58%	0.583	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.8	179.3	55.5	0	0	0	0	110.5	V620 A621	V620-T635 WeakPolarHBondContact O-CA 3.27Å; A621-T635 HydrophobicContact CB-CG2 3.98Å
636	S	94.3	Very high	80.2	Confident	16 Å²	16	70.7 Å²	70.7	11%	0.112	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.9	178.2	179.1	0	0	0	0	109.5	A515 M555 V620	A515-S636 PolarHBondContact N-OG 2.67Å; M555-S636 VanDerWaalsContact SD-CB 3.58Å; V620-S636 PolarHBondContact N-O 2.8Å; V620-S636 PolarHBondContact O-N 3.25Å
637	T	94.9	Very high	82	Confident	79 Å²	79	66.4 Å²	66.4	49%	0.485	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.1	173.6	-56.5	0	0	0	0	110	V618 T619	V618-T637 CarbonylContact O-C 3.56Å; V618-T637 WeakPolarHBondContact O-CA 3.41Å; T619-T637 PolarHBondContact OG1-OG1 2.93Å
638	V	93.9	Very high	84.3	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.158	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.3	179.7	-166.5	0	0	0	0	109.7	A515 L517 M617 V618	A515-V638 HydrophobicContact CB-CG2 3.75Å; A515-V638 WeakPolarHBondContact O-CG2 2.78Å; L517-V638 HydrophobicContact CD1-CB 4.3Å; L517-V638 HydrophobicContact CD1-CG1 3.76Å; L517-V638 HydrophobicContact CG-CB 4.36Å; L517-V638 HydrophobicContact CG-CG1 3.77Å; M617-V638 WeakPolarHBondContact CA-O 3.09Å; V618-V638 PolarHBondContact N-O 3.39Å; V618-V638 PolarHBondContact O-N 3Å
639	K	94.2	Very high	86.6	Confident	118 Å²	118	59.2 Å²	59.2	51%	0.513	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	175.8	-62	-174.1	174.9	-167.3	0	109.1	M617 P641	M617-K639 HydrophobicContact CG-CG 4.21Å; M617-K639 HydrophobicContact SD-CG 4.37Å; K639-P641 WeakPolarHBondContact O-CD 2.85Å
640	L	95.6	Very high	88.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	100.6	173.2	-176.2	66.3	0	0	0	109.5	L517 I522 V549 L595 V597 H615 V616	L517-L640 HydrophobicContact CB-CD1 4.48Å; L517-L640 HydrophobicContact CD1-CB 3.62Å; L517-L640 HydrophobicContact CD1-CD1 3.91Å; L517-L640 HydrophobicContact CD1-CG 4.21Å; I522-L640 HydrophobicContact CD1-CD2 3.89Å; I522-L640 HydrophobicContact CD1-CG 4.45Å; I522-L640 HydrophobicContact CG1-CD1 4.42Å; I522-L640 HydrophobicContact CG1-CD2 4.43Å; V549-L640 HydrophobicContact CG2-CD2 4.07Å; L595-L640 HydrophobicContact CD2-CD2 4.08Å; V597-L640 HydrophobicContact CG2-CD2 3.78Å; H615-L640 CarbonylContact C-O 2.94Å; H615-L640 WeakPolarHBondContact CA-O 3.17Å; H615-L640 VanDerWaalsContact CB-O 3.3Å; H615-L640 WeakPolarHBondContact CB-O 3.36Å; V616-L640 HydrophobicContact CB-CB 4.36Å; V616-L640 PolarHBondContact N-O 2.66Å; V616-L640 PolarHBondContact O-N 3.49Å
641	P	95.9	Very high	91.1	Very high	25 Å²	25	48.4 Å²	48.4	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.1	176.2	-17.5	31.7	0	0	0	111.3	S520 I522 K639 L979	S520-P641 WeakPolarHBondContact O-CD 3.4Å; I522-P641 PolarHBondContact N-O 2.83Å; K639-P641 WeakPolarHBondContact O-CD 2.85Å; P641-L979 HydrophobicContact CB-CD1 4.19Å; P641-L979 HydrophobicContact CB-CD2 3.4Å; P641-L979 VanDerWaalsContact CB-CD2 3.4Å; P641-L979 HydrophobicContact CB-CG 4.38Å; P641-L979 HydrophobicContact CG-CD2 3.92Å
642	I	95.6	Very high	93	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.9	178.4	-59.8	-179	0	0	0	108.1	I522 W567 I578 V580 V597 I599 Q613 G614 V616 V644	I522-I642 HydrophobicContact CB-CG1 4.4Å; I522-I642 HydrophobicContact CD1-CG1 4.4Å; I522-I642 CarbonylContact O-C 3.43Å; I522-I642 WeakPolarHBondContact O-CA 3.38Å; W567-I642 HydrophobicContact CH2-CB 4.49Å; W567-I642 HydrophobicContact CZ3-CB 4.33Å; W567-I642 HydrophobicContact CZ3-CD1 3.91Å; W567-I642 HydrophobicContact CZ3-CG1 4.44Å; I578-I642 HydrophobicContact CD1-CG2 4.38Å; V580-I642 HydrophobicContact CG1-CD1 4.38Å; V580-I642 HydrophobicContact CG2-CD1 4.42Å; V597-I642 HydrophobicContact CG1-CD1 3.72Å; I599-I642 HydrophobicContact CD1-CG2 3.79Å; Q613-I642 VanDerWaalsContact CA-O 3.32Å; Q613-I642 WeakPolarHBondContact CA-O 3.29Å; G614-I642 PolarHBondContact N-O 3.2Å; G614-I642 PolarHBondContact O-N 2.95Å; V616-I642 HydrophobicContact CG2-CD1 3.75Å; I642-V644 HydrophobicContact CG2-CG2 3.64Å
643	K	95.4	Very high	94.1	Very high	42 Å²	42	47.8 Å²	47.8	18%	0.183	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.9	176.2	173.8	169.1	160.5	-129.6	0	109.8	I522 D523 L524 T525 I611 Q613 L979	I522-K643 PolarHBondContact O-N 3.18Å; D523-K643 WeakPolarHBondContact CA-O 3.33Å; D523-K643 HydrophobicContact CB-CB 4.41Å; D523-K643 IonicContact OD1-NZ 3.8Å; D523-K643 WeakPolarHBondContact OD2-CD 2.97Å; D523-K643 IonicContact OD2-NZ 2.66Å; D523-K643 PolarHBondContact OD2-NZ 2.55Å; L524-K643 PolarHBondContact N-O 3.48Å; T525-K643 HydrophobicContact CG2-CG 4.45Å; T525-K643 VanDerWaalsContact OG1-CE 3.32Å; T525-K643 WeakPolarHBondContact OG1-CE 3.44Å; T525-K643 PolarHBondContact OG1-NZ 2.73Å; I611-K643 HydrophobicContact CG2-CD 4.35Å; I611-K643 HydrophobicContact CG2-CG 3.84Å; Q613-K643 HydrophobicContact CG-CB 4.12Å; Q613-K643 HydrophobicContact CG-CD 4.26Å; Q613-K643 HydrophobicContact CG-CG 3.94Å; K643-L979 HydrophobicContact CB-CD1 3.9Å; K643-L979 HydrophobicContact CD-CD1 4.33Å
644	V	95.4	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.6	-166.4	179.5	0	0	0	0	110.5	L524 I538 I599 I611 A612 I642	L524-V644 HydrophobicContact CD1-CG1 4.02Å; L524-V644 HydrophobicContact CD1-CG2 3.99Å; L524-V644 HydrophobicContact CG-CG2 4.07Å; I538-V644 HydrophobicContact CD1-CG1 3.34Å; I538-V644 HydrophobicContact CG1-CG1 3.42Å; I538-V644 VanDerWaalsContact CG1-CG1 3.42Å; I538-V644 HydrophobicContact CG2-CG1 4.47Å; I599-V644 HydrophobicContact CD1-CG2 4.22Å; I599-V644 HydrophobicContact CG2-CG2 4.17Å; I611-V644 WeakPolarHBondContact CA-O 3.33Å; A612-V644 PolarHBondContact N-O 2.99Å; A612-V644 PolarHBondContact O-N 2.78Å; I642-V644 HydrophobicContact CG2-CG2 3.64Å
645	K	95.6	Very high	94.9	Very high	95 Å²	95	42.7 Å²	42.7	41%	0.413	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.7	171.1	-174.7	176.8	-179.5	-178.1	0	109.7	T525 P537 I538	T525-K645 HydrophobicContact CG2-CB 4.08Å; P537-K645 WeakPolarHBondContact CA-O 3.4Å; P537-K645 HydrophobicContact CB-CB 4.21Å; P537-K645 HydrophobicContact CB-CD 4.24Å; P537-K645 HydrophobicContact CB-CG 4.02Å; P537-K645 WeakPolarHBondContact CB-O 3.02Å; I538-K645 PolarHBondContact N-O 3.07Å
646	I	96.6	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.5	176.1	-52.1	-176.8	0	0	0	108.8	I538 N577 I578 V601 W608 G610 A612	I538-I646 HydrophobicContact CG1-CG1 4.3Å; I538-I646 WeakPolarHBondContact O-CA 3.44Å; N577-I646 HydrophobicContact CB-CD1 3.96Å; I578-I646 HydrophobicContact CG2-CD1 3.58Å; I578-I646 HydrophobicContact CG2-CG1 4.32Å; V601-I646 HydrophobicContact CG1-CD1 4.26Å; V601-I646 HydrophobicContact CG1-CG2 3.85Å; V601-I646 HydrophobicContact CG2-CD1 4.33Å; V601-I646 HydrophobicContact CG2-CG1 4.31Å; V601-I646 HydrophobicContact CG2-CG2 3.92Å; W608-I646 HydrophobicContact CE3-CB 3.79Å; W608-I646 HydrophobicContact CE3-CD1 3.92Å; W608-I646 HydrophobicContact CE3-CG1 4.31Å; W608-I646 HydrophobicContact CE3-CG2 4.03Å; W608-I646 HydrophobicContact CZ3-CB 3.75Å; W608-I646 HydrophobicContact CZ3-CD1 3.65Å; W608-I646 HydrophobicContact CZ3-CG1 3.93Å; W608-I646 HydrophobicContact CZ3-CG2 4.47Å; G610-I646 PolarHBondContact N-O 3.15Å; G610-I646 VanDerWaalsContact N-O 3.09Å; G610-I646 PolarHBondContact O-N 3.18Å; A612-I646 HydrophobicContact CB-CD1 3.91Å; A612-I646 HydrophobicContact CB-CG1 4.46Å
647	V	96.6	Very high	95.2	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.115	20%	0.197	C	C	.	.			trans	-123.6	157.9	169.5	-66.4	0	0	0	0	110.4	P537 I538 Y539 W608 F707	P537-V647 HydrophobicContact CB-CB 4.46Å; P537-V647 HydrophobicContact CB-CG1 3.74Å; P537-V647 HydrophobicContact CB-CG2 4.01Å; P537-V647 HydrophobicContact CG-CB 4.3Å; P537-V647 HydrophobicContact CG-CG1 3.6Å; P537-V647 HydrophobicContact CG-CG2 3.69Å; I538-V647 PolarHBondContact O-N 3.11Å; Y539-V647 WeakPolarHBondContact CB-O 3.38Å; W608-V647 CarbonylContact O-C 3.59Å; V647-F707 HydrophobicContact CG2-CE1 4.35Å; V647-F707 HydrophobicContact CG2-CZ 4.3Å
648	P	96.3	Very high	95.2	Very high	54 Å²	54	33.7 Å²	33.7	35%	0.351	17%	0.174	S	C	.	.			trans	-56.5	144.2	170.3	-23.8	35	0	0	0	110.5	A606 E609 P650	A606-P648 WeakPolarHBondContact O-CA 3.25Å; E609-P648 HydrophobicContact CB-CG 4.34Å; P648-P650 WeakPolarHBondContact O-CD 3.46Å
649	T	95.6	Very high	95.2	Very high	46 Å²	46	32.5 Å²	32.5	28%	0.282	17%	0.167	S	C	.	.			trans	-49.9	112.5	179.1	-66.8	0	0	0	0	111.2	Y539 Y540 A606	Y539-T649 HydrophobicContact CD2-CG2 4.25Å; Y540-T649 WeakPolarHBondContact O-CG2 3.22Å; Y540-T649 PolarHBondContact O-OG1 3.07Å; A606-T649 PolarHBondContact O-N 2.83Å; A606-T649 VanDerWaalsContact O-N 3.13Å; A606-T649 PolarHBondContact O-OG1 3.37Å
650	P	95	Very high	95.1	Very high	13 Å²	13	27.1 Å²	27.1	8%	0.084	14%	0.143	C	C	.	.			trans	-69.7	162.3	-172.6	27.7	-32.5	0	0	0	110.9	Y539 P648 R652 R655 F707	Y539-P650 HydrophobicContact CD1-CG 3.93Å; Y539-P650 HydrophobicContact CD2-CG 4.14Å; Y539-P650 HydrophobicContact CE1-CG 3.92Å; Y539-P650 HydrophobicContact CE2-CG 4.09Å; Y539-P650 HydrophobicContact CG-CG 4.05Å; P648-P650 WeakPolarHBondContact O-CD 3.46Å; P650-R652 PolarHBondContact O-N 2.77Å; P650-R655 HydrophobicContact CG-CG 4Å; P650-R655 PolarHBondContact O-NE 3.18Å; P650-R655 PolarHBondContact O-NH2 3.34Å; P650-F707 HydrophobicContact CB-CD2 3.95Å; P650-F707 HydrophobicContact CB-CE2 3.75Å; P650-F707 HydrophobicContact CB-CZ 4.38Å; P650-F707 HydrophobicContact CG-CD2 3.79Å; P650-F707 HydrophobicContact CG-CE2 3.9Å; P650-F707 HydrophobicContact CG-CG 4.12Å; P650-F707 HydrophobicContact CG-CZ 4.29Å
651	P	94.2	Very high	94.9	Very high	88 Å²	88	28.2 Å²	28.2	57%	0.571	15%	0.147	S	C	*	.			trans	-55.4	142.1	175.4	-25	34.6	0	0	0	112.1	S653 K654	P651-S653 PolarHBondContact O-N 2.9Å; P651-K654 PolarHBondContact O-N 3.46Å
652	R	93	Very high	94.7	Very high	79 Å²	79	27 Å²	27	30%	0.298	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-53.4	-37.7	179.5	-174.6	179.7	177.8	-132.1	-6.1	112.4	P650 K654 R655 A720 S721 Y723 G724 G750	P650-R652 PolarHBondContact O-N 2.77Å; R652-K654 PolarHBondContact O-N 3.05Å; R652-K654 VanDerWaalsContact O-N 3.11Å; R652-R655 PolarHBondContact O-N 2.95Å; R652-A720 PolarHBondContact NH2-O 3.01Å; R652-S721 WeakPolarHBondContact CD-O 3.01Å; R652-S721 PolarHBondContact NE-O 3.45Å; R652-Y723 VanDerWaalsContact CG-C 3.5Å; R652-Y723 PolarHBondContact NE-O 2.86Å; R652-Y723 PolarHBondContact NH2-O 3.05Å; R652-G724 WeakPolarHBondContact O-CA 3.22Å; R652-G724 PolarHBondContact O-N 3.4Å; R652-G724 VanDerWaalsContact O-N 3.13Å; R652-G750 VanDerWaalsContact CZ-O 3.28Å; R652-G750 PolarHBondContact NH1-O 3.32Å; R652-G750 VanDerWaalsContact NH2-C 3.27Å; R652-G750 PolarHBondContact NH2-O 3.1Å
653	S	92.6	Very high	94.3	Very high	29 Å²	29	27 Å²	27	20%	0.203	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63.8	-10.6	177	58.1	0	0	0	0	115.2	P651 S904	P651-S653 PolarHBondContact O-N 2.9Å; S653-S904 WeakPolarHBondContact O-CB 2.91Å; S653-S904 PolarHBondContact O-OG 3.03Å
654	K	94.4	Very high	93.6	Very high	52 Å²	52	25.4 Å²	25.4	23%	0.226	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-105.1	-0.2	175.8	-73.5	-64.9	-164.1	175.7	0	113.1	P651 R652 M704 Y706 F707 Y905	P651-K654 PolarHBondContact O-N 3.46Å; R652-K654 PolarHBondContact O-N 3.05Å; R652-K654 VanDerWaalsContact O-N 3.11Å; K654-M704 PolarHBondContact NZ-O 3.5Å; K654-Y706 HydrophobicContact CD-CD1 3.89Å; K654-Y706 HydrophobicContact CD-CE1 3.89Å; K654-Y706 HydrophobicContact CD-CG 4.44Å; K654-Y706 CarbonylContact O-C 3.48Å; K654-Y706 WeakPolarHBondContact O-CA 3.18Å; K654-F707 PolarHBondContact O-N 3.46Å; K654-Y905 VanDerWaalsContact CE-OH 3.29Å; K654-Y905 WeakPolarHBondContact CE-OH 3.48Å
655	R	95.8	Very high	92.4	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.068	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.1	-177.2	-55.9	176.1	-156.7	171.7	19	109.9	Y539 P650 R652 Q722 Y723 G724 T725	Y539-R655 WeakPolarHBondContact OH-CD 3.06Å; P650-R655 HydrophobicContact CG-CG 4Å; P650-R655 PolarHBondContact O-NE 3.18Å; P650-R655 PolarHBondContact O-NH2 3.34Å; R652-R655 PolarHBondContact O-N 2.95Å; R655-Q722 WeakPolarHBondContact CD-O 3.46Å; R655-Q722 PolarHBondContact NH1-O 2.78Å; R655-Y723 HydrophobicContact CB-CD1 4.13Å; R655-G724 PolarHBondContact O-N 3.1Å; R655-G724 VanDerWaalsContact O-N 3.14Å; R655-T725 PolarHBondContact O-N 3.06Å
656	V	96.2	Very high	90.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.3	-179.1	-177.8	0	0	0	0	108.1	Y706 F707 V708 E709 T725 L727 L900	V656-Y706 HydrophobicContact CG2-CD1 3.94Å; V656-Y706 HydrophobicContact CG2-CG 4.39Å; V656-F707 PolarHBondContact N-O 2.76Å; V656-V708 HydrophobicContact CB-CG1 4.43Å; V656-V708 HydrophobicContact CG1-CG1 4.46Å; V656-V708 WeakPolarHBondContact O-CA 3.49Å; V656-E709 PolarHBondContact O-N 2.91Å; V656-T725 WeakPolarHBondContact CA-O 3.35Å; V656-L727 HydrophobicContact CG1-CB 3.91Å; V656-L727 HydrophobicContact CG1-CD2 4.35Å; V656-L900 HydrophobicContact CG2-CD2 3.82Å
657	L	96.2	Very high	88.4	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.5	174.5	-169.8	61.8	0	0	0	108.8	M543 E709 L711 F718 Y723 T725 L726 L727	M543-L657 HydrophobicContact CG-CD1 3.93Å; L657-E709 HydrophobicContact CD1-CB 4.08Å; L657-L711 HydrophobicContact CD1-CB 4Å; L657-L711 HydrophobicContact CD2-CB 4.25Å; L657-L711 HydrophobicContact CD2-CD2 4.14Å; L657-L711 HydrophobicContact CG-CB 4.06Å; L657-F718 HydrophobicContact CD2-CB 4.47Å; L657-F718 HydrophobicContact CD2-CD1 4.13Å; L657-F718 HydrophobicContact CD2-CD2 3.43Å; L657-F718 VanDerWaalsContact CD2-CD2 3.43Å; L657-F718 HydrophobicContact CD2-CE1 4.22Å; L657-F718 HydrophobicContact CD2-CE2 3.52Å; L657-F718 HydrophobicContact CD2-CG 3.75Å; L657-F718 HydrophobicContact CD2-CZ 3.94Å; L657-Y723 HydrophobicContact CB-CD1 3.81Å; L657-Y723 HydrophobicContact CB-CE1 4.24Å; L657-Y723 HydrophobicContact CB-CG 4.03Å; L657-Y723 HydrophobicContact CD1-CD1 4.44Å; L657-Y723 HydrophobicContact CD1-CE1 4.01Å; L657-Y723 HydrophobicContact CD2-CD2 4.14Å; L657-Y723 HydrophobicContact CD2-CE2 4.24Å; L657-Y723 HydrophobicContact CD2-CG 4.37Å; L657-T725 PolarHBondContact N-O 3.29Å; L657-L726 HydrophobicContact CB-CD1 4.15Å; L657-L726 HydrophobicContact CD2-CD1 4.17Å; L657-L726 HydrophobicContact CG-CD1 4.17Å; L657-L726 CarbonylContact O-C 3.54Å; L657-L727 PolarHBondContact O-N 2.98Å
658	W	95.1	Very high	86.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.3	172.2	171.5	-85.5	0	0	0	109.3	Q660 I690 F694 M697 E709 L711 L727 V729	W658-Q660 VanDerWaalsContact NE1-OE1 3.08Å; W658-Q660 PolarHBondContact O-N 3.39Å; W658-I690 HydrophobicContact CB-CD1 4.26Å; W658-I690 HydrophobicContact CD2-CB 4.3Å; W658-I690 HydrophobicContact CD2-CD1 4.39Å; W658-I690 HydrophobicContact CE3-CD1 4.3Å; W658-I690 HydrophobicContact CG-CB 4.44Å; W658-I690 HydrophobicContact CG-CD1 4.39Å; W658-F694 HydrophobicContact CH2-CB 4.46Å; W658-F694 HydrophobicContact CH2-CD1 4.41Å; W658-F694 AromaticContact CH2-CD2 3.73Å; W658-F694 HydrophobicContact CH2-CD2 3.73Å; W658-F694 HydrophobicContact CH2-CE2 4.03Å; W658-F694 AromaticContact CH2-CG 3.94Å; W658-F694 HydrophobicContact CH2-CG 3.94Å; W658-F694 HydrophobicContact CZ2-CD2 4.13Å; W658-F694 HydrophobicContact CZ2-CE2 4.44Å; W658-M697 HydrophobicContact CE3-CE 4.03Å; W658-M697 HydrophobicContact CH2-CE 4.48Å; W658-M697 HydrophobicContact CZ3-CE 3.64Å; W658-M697 HydrophobicContact CZ3-SD 4.37Å; W658-E709 WeakPolarHBondContact CB-O 3.43Å; W658-E709 PolarHBondContact N-O 3.11Å; W658-L711 WeakPolarHBondContact O-CB 3.45Å; W658-L711 PolarHBondContact O-N 3.42Å; W658-L727 HydrophobicContact CE3-CD2 3.94Å; W658-L727 HydrophobicContact CE3-CG 4.15Å; W658-L727 HydrophobicContact CZ3-CD2 4.26Å; W658-L727 HydrophobicContact CZ3-CG 4.46Å; W658-V729 HydrophobicContact CE3-CG2 4.2Å; W658-V729 HydrophobicContact CH2-CB 3.44Å; W658-V729 VanDerWaalsContact CH2-CB 3.44Å; W658-V729 HydrophobicContact CH2-CG1 4Å; W658-V729 HydrophobicContact CH2-CG2 3.82Å; W658-V729 HydrophobicContact CZ2-CB 4.36Å; W658-V729 HydrophobicContact CZ3-CB 3.56Å; W658-V729 HydrophobicContact CZ3-CG1 4.33Å; W658-V729 HydrophobicContact CZ3-CG2 3.35Å
659	D	94.3	Very high	84.2	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	107.3	173.5	-178.4	13.1	0	0	0	111	Y661 H662 N663 L726 L727 M728	D659-Y661 PolarHBondContact OD1-N 3.28Å; D659-Y661 VanDerWaalsContact OD1-N 3.11Å; D659-H662 VanDerWaalsContact CG-ND1 3.29Å; D659-H662 PolarHBondContact OD1-N 3.01Å; D659-H662 IonicContact OD1-ND1 3.34Å; D659-H662 PolarHBondContact OD1-ND1 3.35Å; D659-H662 VanDerWaalsContact OD1-ND1 3.13Å; D659-H662 IonicContact OD2-CE1 2.9Å; D659-H662 IonicContact OD2-CG 2.6Å; D659-H662 IonicContact OD2-ND1 2.86Å; D659-H662 PolarHBondContact OD2-ND1 2.8Å; D659-N663 PolarHBondContact O-OD1 3.4Å; D659-L726 HydrophobicContact CB-CD1 4.38Å; D659-L727 PolarHBondContact N-O 3.14Å; D659-L727 VanDerWaalsContact N-O 3.12Å; D659-M728 HydrophobicContact CB-CG 4.09Å
660	Q	92	Very high	82.8	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.019	11%	0.111	C	C	.	.			trans	-97.4	-17.5	175.4	-174.3	60.3	56.7	0	0	112.2	L413 W658 H662 N663 D688 H689 V710 L711	L413-Q660 WeakPolarHBondContact O-CG 3.38Å; W658-Q660 VanDerWaalsContact NE1-OE1 3.08Å; W658-Q660 PolarHBondContact O-N 3.39Å; Q660-H662 PolarHBondContact O-N 3.16Å; Q660-N663 PolarHBondContact O-N 3.05Å; Q660-D688 PolarHBondContact NE2-O 3.08Å; Q660-D688 PolarHBondContact OE1-O 3.21Å; Q660-H689 VanDerWaalsContact CD-CD2 3.42Å; Q660-H689 PolarHBondContact OE1-CD2 2.71Å; Q660-V710 HydrophobicContact CB-CG1 3.54Å; Q660-V710 HydrophobicContact CG-CG1 4.03Å; Q660-L711 WeakPolarHBondContact CA-O 3.02Å; Q660-L711 WeakPolarHBondContact CB-O 3.04Å; Q660-L711 PolarHBondContact N-O 2.78Å
661	Y	91	Very high	81.9	Confident	24 Å²	24	22.3 Å²	22.3	9%	0.094	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21	-175.2	-173.2	-98.8	0	0	0	111.9	D659 L711 A713 P714 F736 K943	D659-Y661 PolarHBondContact OD1-N 3.28Å; D659-Y661 VanDerWaalsContact OD1-N 3.11Å; Y661-L711 PolarHBondContact N-O 3.05Å; Y661-L711 VanDerWaalsContact N-O 3.15Å; Y661-A713 WeakPolarHBondContact CB-O 3.49Å; Y661-A713 VanDerWaalsContact CG-C 3.48Å; Y661-P714 HydrophobicContact CD1-CG 4.3Å; Y661-P714 HydrophobicContact CE1-CB 4.36Å; Y661-P714 HydrophobicContact CE1-CG 3.77Å; Y661-P714 HydrophobicContact CE2-CG 4.32Å; Y661-F736 HydrophobicContact CE1-CE2 4.33Å; Y661-K943 HydrophobicContact CD2-CD 4.45Å; Y661-K943 HydrophobicContact CE2-CD 4.05Å; Y661-K943 WeakPolarHBondContact O-CE 3.31Å; Y661-K943 PolarHBondContact O-NZ 2.82Å
662	H	91.4	Very high	81.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2.1	179.2	-59.8	93.2	0	0	0	114.9	D659 Q660 E732 E733 E734 Y735 E739	D659-H662 VanDerWaalsContact CG-ND1 3.29Å; D659-H662 PolarHBondContact OD1-N 3.01Å; D659-H662 IonicContact OD1-ND1 3.34Å; D659-H662 PolarHBondContact OD1-ND1 3.35Å; D659-H662 VanDerWaalsContact OD1-ND1 3.13Å; D659-H662 IonicContact OD2-CE1 2.9Å; D659-H662 IonicContact OD2-CG 2.6Å; D659-H662 IonicContact OD2-ND1 2.86Å; D659-H662 PolarHBondContact OD2-ND1 2.8Å; Q660-H662 PolarHBondContact O-N 3.16Å; H662-E732 PolarHBondContact O-N 3.1Å; H662-E733 HydrophobicContact CB-CB 4.02Å; H662-E733 WeakPolarHBondContact O-CB 3.49Å; H662-E733 PolarHBondContact O-N 3.42Å; H662-E734 PolarHBondContact CD2-O 2.97Å; H662-Y735 HydrophobicContact CB-CE1 4.16Å; H662-Y735 AromaticContact CD2-CD1 3.51Å; H662-Y735 AromaticContact CD2-CE1 3.38Å; H662-Y735 WeakPolarHBondContact CD2-CE1 3.39Å; H662-Y735 AromaticContact CE1-CD1 3.8Å; H662-Y735 AromaticContact CE1-CE1 3.74Å; H662-Y735 AromaticContact CG-CE1 3.47Å; H662-Y735 VanDerWaalsContact CG-CE1 3.47Å; H662-Y735 AromaticContact ND1-CE1 3.7Å; H662-Y735 AromaticContact NE2-CD1 3.35Å; H662-Y735 VanDerWaalsContact NE2-CD1 3.35Å; H662-Y735 WeakPolarHBondContact NE2-CD1 2.95Å; H662-Y735 AromaticContact NE2-CE1 3.58Å; H662-E739 IonicContact CE1-OE1 3.37Å; H662-E739 PolarHBondContact CE1-OE1 2.73Å; H662-E739 VanDerWaalsContact CE1-OE1 3.3Å; H662-E739 IonicContact NE2-OE1 2.72Å; H662-E739 PolarHBondContact NE2-OE1 2.88Å; H662-E739 IonicContact NE2-OE2 2.75Å
663	N	88.4	Confident	80.7	Confident	2 Å²	2	15 Å²	15	1%	0.011	7%	0.068	C	C	.	.	S	Bend	trans	-81.9	136.6	161.7	-55.1	98.7	0	0	0	108.8	D659 Q660 D688 V729 D730 K943	D659-N663 PolarHBondContact O-OD1 3.4Å; Q660-N663 PolarHBondContact O-N 3.05Å; N663-D688 HydrophobicContact CB-CB 4.15Å; N663-V729 PolarHBondContact ND2-O 2.73Å; N663-V729 VanDerWaalsContact ND2-O 3.09Å; N663-D730 PolarHBondContact ND2-O 3.32Å; N663-K943 PolarHBondContact O-NZ 3.23Å
664	L	80.3	Confident	80.3	Confident	8 Å²	8	13.7 Å²	13.7	4%	0.042	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-87.5	161.8	-178.5	-72.5	177.8	0	0	0	111.5	Y666 F671 E732 E733 L938	L664-Y666 PolarHBondContact O-N 3Å; L664-F671 HydrophobicContact CB-CD2 4.27Å; L664-F671 HydrophobicContact CB-CE2 3.47Å; L664-F671 VanDerWaalsContact CB-CE2 3.47Å; L664-F671 HydrophobicContact CB-CZ 4.02Å; L664-F671 HydrophobicContact CD1-CE1 4.15Å; L664-F671 HydrophobicContact CD1-CE2 3.76Å; L664-F671 HydrophobicContact CD1-CZ 3.37Å; L664-F671 HydrophobicContact CG-CE2 4.26Å; L664-F671 HydrophobicContact CG-CZ 4.33Å; L664-E732 WeakPolarHBondContact CA-OE2 3.48Å; L664-E732 HydrophobicContact CB-CB 4.09Å; L664-E732 WeakPolarHBondContact CB-OE2 3.42Å; L664-E732 HydrophobicContact CD1-CB 3.77Å; L664-E732 WeakPolarHBondContact CD1-O 3.39Å; L664-E732 HydrophobicContact CG-CB 3.83Å; L664-E732 PolarHBondContact N-OE2 3.31Å; L664-E733 HydrophobicContact CD2-CB 3.99Å; L664-E733 HydrophobicContact CD2-CG 4.19Å; L664-E733 WeakPolarHBondContact CD2-OE2 2.92Å; L664-E733 HydrophobicContact CG-CB 4.15Å; L664-L938 HydrophobicContact CD1-CD1 3.65Å
665	R	69.2	Low	79.8	Confident	83 Å²	83	11.5 Å²	11.5	31%	0.313	5%	0.05	S	C	.	.	P	Polyproline II helix	trans	-71.1	131.3	176.9	-176.2	177.3	169.5	-171	-0.9	108.7	D345 P414 P668	D345-R665 IonicContact OD2-NH2 3.01Å; D345-R665 PolarHBondContact OD2-NH2 3.01Å; P414-R665 HydrophobicContact CG-CB 3.69Å; P414-R665 HydrophobicContact CG-CG 4.03Å; R665-P668 HydrophobicContact CB-CG 4.27Å; R665-P668 HydrophobicContact CG-CG 4.27Å; R665-P668 VanDerWaalsContact O-CD 3.31Å; R665-P668 WeakPolarHBondContact O-CD 3.18Å
666	Y	57.3	Low	79.3	Confident	20 Å²	20	11.9 Å²	11.9	8%	0.078	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	131.1	153.3	-156.4	-90.1	0	0	0	109.8	L664 D684 W685	L664-Y666 PolarHBondContact O-N 3Å; Y666-D684 WeakPolarHBondContact CD2-O 3.3Å; Y666-D684 WeakPolarHBondContact CE2-O 3.33Å; Y666-D684 VanDerWaalsContact CG-O 3.25Å; Y666-W685 HydrophobicContact CD1-CB 4.41Å; Y666-W685 HydrophobicContact CD1-CE3 4.26Å; Y666-W685 WeakPolarHBondContact CD1-O 3.41Å; Y666-W685 VanDerWaalsContact CE1-CA 3.46Å; Y666-W685 HydrophobicContact CE1-CB 3.92Å; Y666-W685 AromaticContact CE1-CD2 3.61Å; Y666-W685 HydrophobicContact CE1-CD2 3.61Å; Y666-W685 AromaticContact CE1-CE3 3.04Å; Y666-W685 HydrophobicContact CE1-CE3 3.04Å; Y666-W685 HydrophobicContact CE1-CG 4.02Å; Y666-W685 HydrophobicContact CE1-CH2 4.47Å; Y666-W685 AromaticContact CE1-CZ3 3.5Å; Y666-W685 HydrophobicContact CE1-CZ3 3.5Å; Y666-W685 AromaticContact CZ-CD2 3.47Å; Y666-W685 VanDerWaalsContact CZ-CD2 3.47Å; Y666-W685 AromaticContact CZ-CE3 3.3Å; Y666-W685 AromaticContact CZ-CG 3.88Å; Y666-W685 AromaticContact CZ-CZ3 3.61Å; Y666-W685 WeakPolarHBondContact OH-CH2 3.5Å; Y666-W685 WeakPolarHBondContact OH-CZ2 3.41Å; Y666-W685 WeakPolarHBondContact OH-CZ3 3.47Å
667	P	50.6	Low	78.7	Confident	3 Å²	3	17 Å²	17	2%	0.019	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	cis	-108	-2.3	17.3	15.4	3.1	0	0	0	120.1	D345 G669 Y670	D345-P667 HydrophobicContact CB-CG 4.06Å; D345-P667 WeakPolarHBondContact O-CG 3.29Å; P667-G669 PolarHBondContact O-N 3.18Å; P667-G669 VanDerWaalsContact O-N 3.1Å; P667-Y670 PolarHBondContact O-N 3.33Å
668	P	53.7	Low	77.8	Confident	22 Å²	22	20.4 Å²	20.4	14%	0.143	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.4	-164	27.1	-33.1	0	0	0	114	M347 R665 Y941	M347-P668 HydrophobicContact CE-CB 3.62Å; M347-P668 HydrophobicContact CE-CG 3.66Å; M347-P668 HydrophobicContact CG-CB 4.29Å; M347-P668 HydrophobicContact SD-CB 4.26Å; R665-P668 HydrophobicContact CB-CG 4.27Å; R665-P668 HydrophobicContact CG-CG 4.27Å; R665-P668 VanDerWaalsContact O-CD 3.31Å; R665-P668 WeakPolarHBondContact O-CD 3.18Å; P668-Y941 VanDerWaalsContact C-CE1 3.45Å; P668-Y941 HydrophobicContact CB-CD1 3.54Å; P668-Y941 HydrophobicContact CB-CE1 3.63Å; P668-Y941 HydrophobicContact CB-CG 4.49Å; P668-Y941 HydrophobicContact CG-CD1 4.02Å; P668-Y941 WeakPolarHBondContact O-CE1 3.39Å; P668-Y941 PolarHBondContact O-OH 3.49Å; P668-Y941 VanDerWaalsContact O-OH 3.06Å
669	G	52.8	Low	76.6	Confident	2 Å²	2	28.8 Å²	28.8	2%	0.021	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.6	-179.3	0	0	0	0	0	117.2	P667 F671	P667-G669 PolarHBondContact O-N 3.18Å; P667-G669 VanDerWaalsContact O-N 3.1Å; G669-F671 PolarHBondContact O-N 3.15Å
670	Y	64.6	Low	75.1	Confident	30 Å²	30	36.7 Å²	36.7	12%	0.118	17%	0.168	C	C	.	.			trans	47.5	54.7	-172.4	-71.4	-92.8	0	0	0	112	R159 F346 P667 L683 W685 W779	R159-Y670 PolarHBondContact NH2-OH 3.34Å; F346-Y670 HydrophobicContact CE1-CE1 4.41Å; F346-Y670 WeakPolarHBondContact CE1-OH 3.28Å; P667-Y670 PolarHBondContact O-N 3.33Å; Y670-L683 HydrophobicContact CD1-CD1 3.7Å; Y670-L683 HydrophobicContact CD1-CD2 4.45Å; Y670-L683 HydrophobicContact CE1-CD1 4.41Å; Y670-L683 VanDerWaalsContact O-CD2 3.22Å; Y670-L683 WeakPolarHBondContact O-CD2 3.4Å; Y670-W685 HydrophobicContact CD1-CH2 4.35Å; Y670-W685 AromaticContact CE1-CH2 3.97Å; Y670-W685 HydrophobicContact CE1-CH2 3.97Å; Y670-W779 VanDerWaalsContact O-CE2 3.29Å; Y670-W779 WeakPolarHBondContact O-CZ2 3.42Å; Y670-W779 PolarHBondContact O-NE1 2.93Å
671	F	76.2	Confident	74	Confident	2 Å²	2	39 Å²	39	1%	0.009	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70.6	142.4	-175.5	-59.8	-59.5	0	0	0	112.2	L664 G669 L683 D684 E732 D782 T783 L938 Y941	L664-F671 HydrophobicContact CB-CD2 4.27Å; L664-F671 HydrophobicContact CB-CE2 3.47Å; L664-F671 VanDerWaalsContact CB-CE2 3.47Å; L664-F671 HydrophobicContact CB-CZ 4.02Å; L664-F671 HydrophobicContact CD1-CE1 4.15Å; L664-F671 HydrophobicContact CD1-CE2 3.76Å; L664-F671 HydrophobicContact CD1-CZ 3.37Å; L664-F671 HydrophobicContact CG-CE2 4.26Å; L664-F671 HydrophobicContact CG-CZ 4.33Å; G669-F671 PolarHBondContact O-N 3.15Å; F671-L683 WeakPolarHBondContact O-CA 3.33Å; F671-D684 PolarHBondContact O-N 3.36Å; F671-E732 WeakPolarHBondContact CB-OE1 3.25Å; F671-E732 VanDerWaalsContact CD2-OE1 3.29Å; F671-E732 WeakPolarHBondContact CD2-OE1 3.46Å; F671-E732 WeakPolarHBondContact CG-OE1 2.86Å; F671-D782 HydrophobicContact CE1-CB 4.38Å; F671-T783 HydrophobicContact CD1-CG2 3.36Å; F671-T783 HydrophobicContact CE1-CG2 3.62Å; F671-T783 HydrophobicContact CG-CG2 4.18Å; F671-L938 HydrophobicContact CE1-CD1 4.07Å; F671-L938 HydrophobicContact CZ-CD1 4.19Å; F671-Y941 HydrophobicContact CZ-CD2 4.47Å
672	P	79.5	Confident	73	Confident	2 Å²	2	40 Å²	40	1%	0.013	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-70.7	154.8	179.4	33.8	-35.3	0	0	0	109.9	P682 W759 W779 P781 T783 G784	P672-P682 CarbonylContact C-O 3.57Å; P672-P682 WeakPolarHBondContact CA-O 3.11Å; P672-W759 HydrophobicContact CB-CH2 4.35Å; P672-W759 HydrophobicContact CB-CZ2 3.84Å; P672-W759 HydrophobicContact CG-CH2 4.08Å; P672-W759 HydrophobicContact CG-CZ2 3.7Å; P672-W779 HydrophobicContact CB-CH2 4.22Å; P672-P781 HydrophobicContact CB-CB 4.44Å; P672-P781 HydrophobicContact CG-CB 3.86Å; P672-T783 VanDerWaalsContact CD-O 3.24Å; P672-T783 WeakPolarHBondContact CD-O 3.4Å; P672-T783 VanDerWaalsContact CG-O 3.3Å; P672-T783 WeakPolarHBondContact CG-O 3.18Å; P672-G784 WeakPolarHBondContact CG-O 3.31Å
673	R	82.4	Confident	72.1	Confident	10 Å²	10	40.4 Å²	40.4	4%	0.038	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-66.7	155.8	173.9	-72.7	-161.5	169.1	160.1	-3.6	113.7	D681 P682 L683 D684 W759 H887	R673-D681 VanDerWaalsContact CD-O 3.25Å; R673-D681 WeakPolarHBondContact CD-O 3.36Å; R673-D681 VanDerWaalsContact CZ-CG 3.42Å; R673-D681 IonicContact CZ-OD1 2.82Å; R673-D681 IonicContact CZ-OD2 2.81Å; R673-D681 PolarHBondContact NE-O 3.42Å; R673-D681 VanDerWaalsContact NH1-CG 3.28Å; R673-D681 PolarHBondContact NH1-O 3.41Å; R673-D681 VanDerWaalsContact NH1-O 3.13Å; R673-D681 IonicContact NH1-OD2 2.65Å; R673-D681 PolarHBondContact NH1-OD2 2.71Å; R673-D681 VanDerWaalsContact NH2-CG 3.28Å; R673-D681 IonicContact NH2-OD1 3.33Å; R673-D681 IonicContact NH2-OD2 2.77Å; R673-D681 PolarHBondContact NH2-OD2 2.81Å; R673-P682 PolarHBondContact N-O 2.75Å; R673-L683 VanDerWaalsContact CG-C 3.48Å; R673-L683 WeakPolarHBondContact CG-O 3.35Å; R673-L683 PolarHBondContact NE-O 3.23Å; R673-L683 PolarHBondContact NH2-O 3.12Å; R673-D684 HydrophobicContact CG-CB 4.34Å; R673-W759 PolarHBondContact O-NE1 3.48Å; R673-H887 PolarHBondContact NH1-CE1 3.32Å; R673-H887 PolarHBondContact NH1-NE2 2.96Å
674	D	84.4	Confident	71.5	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	19%	0.193	C	C	.	.	S	Bend	trans	-57.8	-50.3	168.7	-52.2	-20.1	0	0	0	110.6	L676 W759 S822 N881	D674-L676 PolarHBondContact O-N 3.02Å; D674-W759 PolarHBondContact O-NE1 2.91Å; D674-S822 WeakPolarHBondContact O-CB 3.36Å; D674-N881 HydrophobicContact CB-CB 4.24Å
675	N	85.4	Confident	70.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.027	20%	0.202	C	C	.	.			trans	-92.5	101.6	-175.9	-169.2	-18.1	0	0	0	113.3	R677 M678	N675-R677 PolarHBondContact O-N 3.1Å; N675-R677 VanDerWaalsContact O-N 3.12Å; N675-R677 WeakPolarHBondContact OD1-CB 3.23Å; N675-R677 PolarHBondContact OD1-N 2.72Å; N675-M678 HydrophobicContact CB-CG 4.45Å; N675-M678 WeakPolarHBondContact O-CB 3.46Å; N675-M678 PolarHBondContact O-N 3.37Å; N675-M678 VanDerWaalsContact O-N 3.14Å
676	L	84.9	Confident	70.7	Confident	27 Å²	27	40 Å²	40	14%	0.141	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.3	-178.6	-69.7	171	0	0	0	115	D674 M678 W759 V764 V768 L806 S822	D674-L676 PolarHBondContact O-N 3.02Å; L676-M678 PolarHBondContact O-N 2.89Å; L676-W759 HydrophobicContact CD1-CD2 3.92Å; L676-W759 HydrophobicContact CD1-CE3 4.23Å; L676-W759 HydrophobicContact CD1-CG 4.34Å; L676-W759 HydrophobicContact CD1-CZ2 4.22Å; L676-W759 HydrophobicContact CD1-CZ3 4.49Å; L676-W759 HydrophobicContact CD2-CH2 4.09Å; L676-W759 HydrophobicContact CD2-CZ2 3.57Å; L676-W759 HydrophobicContact CG-CD2 4.44Å; L676-W759 HydrophobicContact CG-CZ2 4.12Å; L676-V764 HydrophobicContact CD1-CG1 3.94Å; L676-V768 HydrophobicContact CD2-CG2 4.14Å; L676-L806 HydrophobicContact CD1-CD1 3.97Å; L676-L806 HydrophobicContact CD1-CD2 3.35Å; L676-L806 HydrophobicContact CD1-CG 4.3Å; L676-S822 PolarHBondContact N-OG 2.58Å; L676-S822 VanDerWaalsContact N-OG 3.09Å
677	R	83.1	Confident	71.3	Confident	109 Å²	109	39.5 Å²	39.5	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22	171.1	-75.4	-164.5	179.1	-94.8	-21.2	112.8	N675 K679 E808 Y819 E846	N675-R677 PolarHBondContact O-N 3.1Å; N675-R677 VanDerWaalsContact O-N 3.12Å; N675-R677 WeakPolarHBondContact OD1-CB 3.23Å; N675-R677 PolarHBondContact OD1-N 2.72Å; R677-K679 VanDerWaalsContact C-N 3.29Å; R677-K679 PolarHBondContact O-N 2.86Å; R677-E808 WeakPolarHBondContact CD-OE1 3.36Å; R677-E808 VanDerWaalsContact CG-OE1 3.25Å; R677-E808 WeakPolarHBondContact CG-OE1 3.37Å; R677-E808 IonicContact CZ-OE1 2.76Å; R677-E808 IonicContact CZ-OE2 2.85Å; R677-E808 IonicContact NE-OE1 3.56Å; R677-E808 PolarHBondContact NE-OE1 2.87Å; R677-E808 IonicContact NE-OE2 3.93Å; R677-E808 PolarHBondContact NE-OE2 3.1Å; R677-E808 IonicContact NH2-OE1 2.57Å; R677-E808 IonicContact NH2-OE2 3.79Å; R677-E808 PolarHBondContact NH2-OE2 3.23Å; R677-Y819 PolarHBondContact NE-OH 2.81Å; R677-E846 IonicContact NH2-OE2 2.88Å
678	M	76.6	Confident	72.8	Confident	70 Å²	70	39.6 Å²	39.6	35%	0.345	19%	0.193	S	C	.	.			trans	-79	71.8	-175.7	-65.9	-60.1	-67.9	0	0	112	N675 L676 N680 D681 H887	N675-M678 HydrophobicContact CB-CG 4.45Å; N675-M678 WeakPolarHBondContact O-CB 3.46Å; N675-M678 PolarHBondContact O-N 3.37Å; N675-M678 VanDerWaalsContact O-N 3.14Å; L676-M678 PolarHBondContact O-N 2.89Å; M678-N680 VanDerWaalsContact C-N 3.31Å; M678-N680 PolarHBondContact O-N 2.95Å; M678-D681 CarbonylContact O-C 3.34Å; M678-D681 PolarHBondContact O-N 2.63Å; M678-H887 WeakPolarHBondContact CE-ND1 3.28Å
679	K	71.6	Confident	74.5	Confident	177 Å²	177	38.6 Å²	38.6	77%	0.77	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.5	-175.2	-63.6	-177.1	-178	-179.4	0	115.2	R677 D681	R677-K679 VanDerWaalsContact C-N 3.29Å; R677-K679 PolarHBondContact O-N 2.86Å; K679-D681 VanDerWaalsContact C-N 3.32Å
680	N	62.2	Low	76.4	Confident	167 Å²	167	38.5 Å²	38.5	89%	0.893	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.3	-175.1	-66.6	-16.3	0	0	0	113.1	M678	M678-N680 VanDerWaalsContact C-N 3.31Å; M678-N680 PolarHBondContact O-N 2.95Å
681	D	68	Low	77.6	Confident	54 Å²	54	37.3 Å²	37.3	29%	0.289	18%	0.181	S	C	.	.			trans	-153.3	81.2	-176.9	-175.2	11.8	0	0	0	108.3	R673 M678 K679 L683 W685	R673-D681 VanDerWaalsContact CD-O 3.25Å; R673-D681 WeakPolarHBondContact CD-O 3.36Å; R673-D681 VanDerWaalsContact CZ-CG 3.42Å; R673-D681 IonicContact CZ-OD1 2.82Å; R673-D681 IonicContact CZ-OD2 2.81Å; R673-D681 PolarHBondContact NE-O 3.42Å; R673-D681 VanDerWaalsContact NH1-CG 3.28Å; R673-D681 PolarHBondContact NH1-O 3.41Å; R673-D681 VanDerWaalsContact NH1-O 3.13Å; R673-D681 IonicContact NH1-OD2 2.65Å; R673-D681 PolarHBondContact NH1-OD2 2.71Å; R673-D681 VanDerWaalsContact NH2-CG 3.28Å; R673-D681 IonicContact NH2-OD1 3.33Å; R673-D681 IonicContact NH2-OD2 2.77Å; R673-D681 PolarHBondContact NH2-OD2 2.81Å; M678-D681 CarbonylContact O-C 3.34Å; M678-D681 PolarHBondContact O-N 2.63Å; K679-D681 VanDerWaalsContact C-N 3.32Å; D681-L683 PolarHBondContact O-N 2.82Å; D681-W685 PolarHBondContact OD1-NE1 3.48Å; D681-W685 VanDerWaalsContact OD1-NE1 3.07Å
682	P	69.4	Low	78.1	Confident	43 Å²	43	37.3 Å²	37.3	28%	0.279	18%	0.181	S	C	.	.			trans	-79.8	-2.1	-167.8	30.4	-33.9	0	0	0	114.1	P672 R673 F770	P672-P682 CarbonylContact C-O 3.57Å; P672-P682 WeakPolarHBondContact CA-O 3.11Å; R673-P682 PolarHBondContact N-O 2.75Å; P682-F770 HydrophobicContact CG-CD1 4.5Å; P682-F770 HydrophobicContact CG-CE1 4.2Å
683	L	74.5	Confident	78.5	Confident	10 Å²	10	37.2 Å²	37.2	5%	0.052	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-115.1	143.1	-170.8	-62.5	166.6	0	0	0	111.5	Y670 F671 R673 D681 W685 F770 W779	Y670-L683 HydrophobicContact CD1-CD1 3.7Å; Y670-L683 HydrophobicContact CD1-CD2 4.45Å; Y670-L683 HydrophobicContact CE1-CD1 4.41Å; Y670-L683 VanDerWaalsContact O-CD2 3.22Å; Y670-L683 WeakPolarHBondContact O-CD2 3.4Å; F671-L683 WeakPolarHBondContact O-CA 3.33Å; R673-L683 VanDerWaalsContact CG-C 3.48Å; R673-L683 WeakPolarHBondContact CG-O 3.35Å; R673-L683 PolarHBondContact NE-O 3.23Å; R673-L683 PolarHBondContact NH2-O 3.12Å; D681-L683 PolarHBondContact O-N 2.82Å; L683-W685 HydrophobicContact CB-CZ2 4.1Å; L683-W685 HydrophobicContact CD1-CH2 4.16Å; L683-W685 HydrophobicContact CD1-CZ2 3.42Å; L683-W685 VanDerWaalsContact CD1-CZ2 3.42Å; L683-W685 HydrophobicContact CG-CZ2 4.41Å; L683-W685 PolarHBondContact O-N 3.37Å; L683-F770 HydrophobicContact CD1-CZ 4.19Å; L683-F770 HydrophobicContact CD2-CE1 4.45Å; L683-W779 HydrophobicContact CD2-CH2 4.12Å; L683-W779 HydrophobicContact CD2-CZ2 3.96Å
684	D	74.4	Confident	78.9	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	18%	0.178	C	C	.	.			trans	-86.6	88	177.8	-156.2	-42.7	0	0	0	113	Y666 F671 R673 N686	Y666-D684 WeakPolarHBondContact CD2-O 3.3Å; Y666-D684 WeakPolarHBondContact CE2-O 3.33Å; Y666-D684 VanDerWaalsContact CG-O 3.25Å; F671-D684 PolarHBondContact O-N 3.36Å; R673-D684 HydrophobicContact CG-CB 4.34Å; D684-N686 VanDerWaalsContact C-N 3.31Å; D684-N686 PolarHBondContact O-N 3.35Å; D684-N686 PolarHBondContact OD1-N 2.86Å; D684-N686 VanDerWaalsContact OD1-N 3.1Å
685	W	67.3	Low	79.2	Confident	61 Å²	61	39 Å²	39	23%	0.231	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.4	-177.3	-58.1	88.3	0	0	0	115.8	P344 F346 Y666 Y670 D681 L683	P344-W685 HydrophobicContact CB-CE3 3.37Å; P344-W685 HydrophobicContact CB-CH2 4.34Å; P344-W685 HydrophobicContact CB-CZ3 3.29Å; P344-W685 HydrophobicContact CG-CD2 4.4Å; P344-W685 HydrophobicContact CG-CE3 3.58Å; P344-W685 HydrophobicContact CG-CH2 4.17Å; P344-W685 HydrophobicContact CG-CZ3 3.51Å; F346-W685 AromaticContact CE1-CH2 3.97Å; F346-W685 HydrophobicContact CE1-CH2 3.97Å; F346-W685 AromaticContact CE1-CZ3 3.81Å; F346-W685 HydrophobicContact CE1-CZ3 3.81Å; F346-W685 AromaticContact CZ-CH2 3.86Å; F346-W685 HydrophobicContact CZ-CH2 3.86Å; F346-W685 AromaticContact CZ-CZ3 3.76Å; F346-W685 HydrophobicContact CZ-CZ3 3.76Å; Y666-W685 HydrophobicContact CD1-CB 4.41Å; Y666-W685 HydrophobicContact CD1-CE3 4.26Å; Y666-W685 WeakPolarHBondContact CD1-O 3.41Å; Y666-W685 VanDerWaalsContact CE1-CA 3.46Å; Y666-W685 HydrophobicContact CE1-CB 3.92Å; Y666-W685 AromaticContact CE1-CD2 3.61Å; Y666-W685 HydrophobicContact CE1-CD2 3.61Å; Y666-W685 AromaticContact CE1-CE3 3.04Å; Y666-W685 HydrophobicContact CE1-CE3 3.04Å; Y666-W685 HydrophobicContact CE1-CG 4.02Å; Y666-W685 HydrophobicContact CE1-CH2 4.47Å; Y666-W685 AromaticContact CE1-CZ3 3.5Å; Y666-W685 HydrophobicContact CE1-CZ3 3.5Å; Y666-W685 AromaticContact CZ-CD2 3.47Å; Y666-W685 VanDerWaalsContact CZ-CD2 3.47Å; Y666-W685 AromaticContact CZ-CE3 3.3Å; Y666-W685 AromaticContact CZ-CG 3.88Å; Y666-W685 AromaticContact CZ-CZ3 3.61Å; Y666-W685 WeakPolarHBondContact OH-CH2 3.5Å; Y666-W685 WeakPolarHBondContact OH-CZ2 3.41Å; Y666-W685 WeakPolarHBondContact OH-CZ3 3.47Å; Y670-W685 HydrophobicContact CD1-CH2 4.35Å; Y670-W685 AromaticContact CE1-CH2 3.97Å; Y670-W685 HydrophobicContact CE1-CH2 3.97Å; D681-W685 PolarHBondContact OD1-NE1 3.48Å; D681-W685 VanDerWaalsContact OD1-NE1 3.07Å; L683-W685 HydrophobicContact CB-CZ2 4.1Å; L683-W685 HydrophobicContact CD1-CH2 4.16Å; L683-W685 HydrophobicContact CD1-CZ2 3.42Å; L683-W685 VanDerWaalsContact CD1-CZ2 3.42Å; L683-W685 HydrophobicContact CG-CZ2 4.41Å; L683-W685 PolarHBondContact O-N 3.37Å
686	N	66.1	Low	79.5	Confident	15 Å²	15	41.3 Å²	41.3	8%	0.08	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.5	-158	-63	-33.9	0	0	0	113.9	L375 D684 N693 S886	L375-N686 HydrophobicContact CD2-CB 4.34Å; L375-N686 WeakPolarHBondContact CD2-ND2 3.34Å; D684-N686 VanDerWaalsContact C-N 3.31Å; D684-N686 PolarHBondContact O-N 3.35Å; D684-N686 PolarHBondContact OD1-N 2.86Å; D684-N686 VanDerWaalsContact OD1-N 3.1Å; N686-N693 HydrophobicContact CB-CB 4.28Å; N686-S886 PolarHBondContact ND2-OG 3.5Å; N686-S886 VanDerWaalsContact ND2-OG 3.08Å
687	G	69.6	Low	80	Confident	10 Å²	10	40 Å²	40	10%	0.103	19%	0.192	C	C	.	.			trans	67.1	114.1	-178.1	0	0	0	0	0	111.6	H689 T692 N693	G687-H689 PolarHBondContact O-N 3.42Å; G687-T692 PolarHBondContact O-OG1 2.64Å; G687-N693 PolarHBondContact O-OD1 3.38Å
688	D	82.9	Confident	80.5	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.032	17%	0.174	C	C	.	.			trans	-67	108.1	-176.7	-59.4	-59	0	0	0	111.7	Q660 N663 N693 F694	Q660-D688 PolarHBondContact NE2-O 3.08Å; Q660-D688 PolarHBondContact OE1-O 3.21Å; N663-D688 HydrophobicContact CB-CB 4.15Å; D688-N693 WeakPolarHBondContact CA-OD1 3.4Å; D688-N693 PolarHBondContact OD1-ND2 2.95Å; D688-F694 HydrophobicContact CB-CE2 4.01Å
689	H	89.1	Confident	81.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.			trans	-152.3	145.8	175.8	-167.6	-77.3	0	0	0	110.4	L413 G416 Q660 G687 H691 T692 N693 F694	L413-H689 HydrophobicContact CD1-CB 4.05Å; L413-H689 HydrophobicContact CD2-CB 4.41Å; G416-H689 PolarHBondContact O-NE2 3.21Å; Q660-H689 VanDerWaalsContact CD-CD2 3.42Å; Q660-H689 PolarHBondContact OE1-CD2 2.71Å; G687-H689 PolarHBondContact O-N 3.42Å; H689-H691 AromaticContact CE1-CD2 3.4Å; H689-H691 PolarHBondContact CE1-CD2 2.92Å; H689-H691 AromaticContact CE1-CG 3.81Å; H689-H691 AromaticContact ND1-CD2 3.82Å; H689-H691 AromaticContact ND1-CG 3.76Å; H689-H691 PolarHBondContact ND1-N 3.17Å; H689-H691 PolarHBondContact O-N 3.43Å; H689-T692 HydrophobicContact CB-CG2 4.22Å; H689-T692 VanDerWaalsContact CB-OG1 3.32Å; H689-T692 WeakPolarHBondContact CB-OG1 3.03Å; H689-T692 PolarHBondContact N-OG1 2.9Å; H689-T692 PolarHBondContact O-N 3.19Å; H689-T692 PolarHBondContact O-OG1 3.27Å; H689-N693 PolarHBondContact N-OD1 3.25Å; H689-N693 VanDerWaalsContact N-OD1 3.16Å; H689-N693 PolarHBondContact O-OD1 2.91Å; H689-F694 PolarHBondContact O-N 2.94Å
690	I	91.3	Very high	82.5	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-4.7	177.6	-166.4	157.9	0	0	0	115.3	W658 M697 Y698 V708 V710	W658-I690 HydrophobicContact CB-CD1 4.26Å; W658-I690 HydrophobicContact CD2-CB 4.3Å; W658-I690 HydrophobicContact CD2-CD1 4.39Å; W658-I690 HydrophobicContact CE3-CD1 4.3Å; W658-I690 HydrophobicContact CG-CB 4.44Å; W658-I690 HydrophobicContact CG-CD1 4.39Å; I690-M697 HydrophobicContact CD1-CE 3.97Å; I690-M697 HydrophobicContact CG1-CE 4.02Å; I690-Y698 HydrophobicContact CD1-CD2 3.76Å; I690-Y698 HydrophobicContact CG1-CD2 3.67Å; I690-Y698 HydrophobicContact CG1-CG 4.03Å; I690-Y698 VanDerWaalsContact O-CB 3.3Å; I690-Y698 WeakPolarHBondContact O-CB 3.41Å; I690-V708 HydrophobicContact CD1-CB 4.17Å; I690-V708 HydrophobicContact CD1-CG1 3.31Å; I690-V710 HydrophobicContact CG2-CG2 3.57Å
691	H	90.3	Very high	84.1	Confident	5 Å²	5	21 Å²	21	2%	0.023	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	1.8	-177.8	-58	-29	0	0	0	113	M408 Y417 W531 P532 H689 Y698	M408-H691 HydrophobicContact CE-CB 3.62Å; Y417-H691 AromaticContact CE1-CD2 3.6Å; Y417-H691 AromaticContact CE1-NE2 3.57Å; W531-H691 HydrophobicContact CH2-CB 4.05Å; P532-H691 VanDerWaalsContact CG-CD2 3.47Å; P532-H691 WeakPolarHBondContact CG-CD2 3.48Å; H689-H691 AromaticContact CE1-CD2 3.4Å; H689-H691 PolarHBondContact CE1-CD2 2.92Å; H689-H691 AromaticContact CE1-CG 3.81Å; H689-H691 AromaticContact ND1-CD2 3.82Å; H689-H691 AromaticContact ND1-CG 3.76Å; H689-H691 PolarHBondContact ND1-N 3.17Å; H689-H691 PolarHBondContact O-N 3.43Å; H691-Y698 AromaticContact CE1-CD2 3.9Å; H691-Y698 AromaticContact CE1-CE2 3.7Å; H691-Y698 AromaticContact CE1-CZ 3.76Å
692	T	87.8	Confident	85.4	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-97.7	174.3	50.3	0	0	0	0	109	L413 G687 H689 R695	L413-T692 HydrophobicContact CD1-CG2 3.76Å; G687-T692 PolarHBondContact O-OG1 2.64Å; H689-T692 HydrophobicContact CB-CG2 4.22Å; H689-T692 VanDerWaalsContact CB-OG1 3.32Å; H689-T692 WeakPolarHBondContact CB-OG1 3.03Å; H689-T692 PolarHBondContact N-OG1 2.9Å; H689-T692 PolarHBondContact O-N 3.19Å; H689-T692 PolarHBondContact O-OG1 3.27Å; T692-R695 VanDerWaalsContact O-CB 3.29Å; T692-R695 WeakPolarHBondContact O-CB 3.44Å
693	N	86.7	Confident	86.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-24.4	-176.1	68.2	-38.2	0	0	0	112.9	N686 G687 D688 H689 R695 D884 D885 S886	N686-N693 HydrophobicContact CB-CB 4.28Å; G687-N693 PolarHBondContact O-OD1 3.38Å; D688-N693 WeakPolarHBondContact CA-OD1 3.4Å; D688-N693 PolarHBondContact OD1-ND2 2.95Å; H689-N693 PolarHBondContact N-OD1 3.25Å; H689-N693 VanDerWaalsContact N-OD1 3.16Å; H689-N693 PolarHBondContact O-OD1 2.91Å; N693-R695 VanDerWaalsContact C-N 3.34Å; N693-R695 PolarHBondContact O-N 3.49Å; N693-D884 VanDerWaalsContact CB-OD1 3.27Å; N693-D884 WeakPolarHBondContact CB-OD1 3.28Å; N693-D885 WeakPolarHBondContact O-CB 3.46Å; N693-D885 VanDerWaalsContact O-CG 3.28Å; N693-D885 PolarHBondContact O-N 3.13Å; N693-S886 WeakPolarHBondContact CB-OG 3.49Å
694	F	91.4	Very high	87.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	24.1	172.9	-63.7	-76.5	0	0	0	113.9	W658 D688 H689 M697 Y698 V729 I883 D884	W658-F694 HydrophobicContact CH2-CB 4.46Å; W658-F694 HydrophobicContact CH2-CD1 4.41Å; W658-F694 AromaticContact CH2-CD2 3.73Å; W658-F694 HydrophobicContact CH2-CD2 3.73Å; W658-F694 HydrophobicContact CH2-CE2 4.03Å; W658-F694 AromaticContact CH2-CG 3.94Å; W658-F694 HydrophobicContact CH2-CG 3.94Å; W658-F694 HydrophobicContact CZ2-CD2 4.13Å; W658-F694 HydrophobicContact CZ2-CE2 4.44Å; D688-F694 HydrophobicContact CB-CE2 4.01Å; H689-F694 PolarHBondContact O-N 2.94Å; F694-M697 HydrophobicContact CB-CE 4Å; F694-M697 HydrophobicContact CD1-SD 4.46Å; F694-M697 WeakPolarHBondContact O-CB 3.26Å; F694-M697 PolarHBondContact O-N 3.07Å; F694-Y698 PolarHBondContact O-N 2.75Å; F694-V729 HydrophobicContact CD1-CG1 4.47Å; F694-V729 HydrophobicContact CE1-CG1 3.68Å; F694-V729 HydrophobicContact CE2-CG1 4.43Å; F694-V729 HydrophobicContact CZ-CG1 3.66Å; F694-I883 HydrophobicContact CD1-CD1 4.47Å; F694-I883 HydrophobicContact CD1-CG1 4.23Å; F694-I883 HydrophobicContact CE1-CD1 4.29Å; F694-I883 HydrophobicContact CE1-CG1 3.96Å; F694-D884 HydrophobicContact CD1-CB 4.42Å; F694-D884 HydrophobicContact CE1-CB 3.86Å; F694-D884 HydrophobicContact CZ-CB 4.27Å
695	R	90.9	Very high	88.4	Confident	51 Å²	51	27.2 Å²	27.2	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-42.8	-172.9	173.6	174.9	-179.9	-122.9	1.6	113	Y376 W531 T692 N693 M697 Y698 Q699 D885	Y376-R695 VanDerWaalsContact CE2-CZ 3.45Å; Y376-R695 PolarHBondContact OH-NH2 2.93Å; W531-R695 HydrophobicContact CH2-CG 3.84Å; W531-R695 HydrophobicContact CZ2-CG 3.76Å; T692-R695 VanDerWaalsContact O-CB 3.29Å; T692-R695 WeakPolarHBondContact O-CB 3.44Å; N693-R695 VanDerWaalsContact C-N 3.34Å; N693-R695 PolarHBondContact O-N 3.49Å; R695-M697 VanDerWaalsContact C-N 3.32Å; R695-Y698 WeakPolarHBondContact O-CB 3.31Å; R695-Y698 PolarHBondContact O-N 2.71Å; R695-Q699 WeakPolarHBondContact O-CG 3.46Å; R695-Q699 PolarHBondContact O-N 2.59Å; R695-D885 PolarHBondContact N-OD2 2.71Å
696	D	92.1	Very high	89.7	Confident	54 Å²	54	24.5 Å²	24.5	29%	0.289	14%	0.135	S	C	.	.	H	α-helix	trans	-68.9	-35.3	179.3	-68.2	-17.1	0	0	0	111	Y698 Q699 H700 D885 R888 F893	D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 2.65Å; D696-Q699 PolarHBondContact O-N 2.67Å; D696-H700 WeakPolarHBondContact O-CB 3.41Å; D696-H700 PolarHBondContact O-N 3.41Å; D696-D885 WeakPolarHBondContact CB-OD1 3.48Å; D696-D885 WeakPolarHBondContact CB-OD2 3.31Å; D696-D885 VanDerWaalsContact CG-OD1 3.27Å; D696-D885 VanDerWaalsContact CG-OD2 3.26Å; D696-D885 PolarHBondContact N-OD2 2.88Å; D696-D885 VanDerWaalsContact OD2-OD1 3.11Å; D696-R888 IonicContact OD2-CZ 3.61Å; D696-R888 IonicContact OD2-NH2 3.7Å; D696-R888 PolarHBondContact OD2-NH2 3.42Å; D696-F893 HydrophobicContact CB-CE2 4.18Å; D696-F893 HydrophobicContact CB-CZ 3.76Å
697	M	94.2	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-48	171.6	-179.2	-158.3	71	0	0	110.4	W658 I690 F694 R695 Q699 H700 L701 L727 I883 F893 L896	W658-M697 HydrophobicContact CE3-CE 4.03Å; W658-M697 HydrophobicContact CH2-CE 4.48Å; W658-M697 HydrophobicContact CZ3-CE 3.64Å; W658-M697 HydrophobicContact CZ3-SD 4.37Å; I690-M697 HydrophobicContact CD1-CE 3.97Å; I690-M697 HydrophobicContact CG1-CE 4.02Å; F694-M697 HydrophobicContact CB-CE 4Å; F694-M697 HydrophobicContact CD1-SD 4.46Å; F694-M697 WeakPolarHBondContact O-CB 3.26Å; F694-M697 PolarHBondContact O-N 3.07Å; R695-M697 VanDerWaalsContact C-N 3.32Å; M697-Q699 PolarHBondContact O-N 3.48Å; M697-H700 WeakPolarHBondContact O-CB 3.35Å; M697-H700 PolarHBondContact O-N 3.41Å; M697-L701 HydrophobicContact CE-CD1 4.39Å; M697-L701 HydrophobicContact CG-CD1 4.38Å; M697-L701 WeakPolarHBondContact O-CG 3.37Å; M697-L701 PolarHBondContact O-N 3.22Å; M697-L727 HydrophobicContact CE-CD2 4.43Å; M697-L727 HydrophobicContact SD-CD2 4.43Å; M697-I883 HydrophobicContact CB-CB 4.49Å; M697-I883 HydrophobicContact CG-CB 4.34Å; M697-I883 HydrophobicContact SD-CB 4.2Å; M697-I883 HydrophobicContact SD-CD1 3.83Å; M697-F893 HydrophobicContact CB-CE1 3.76Å; M697-F893 HydrophobicContact CB-CZ 4.37Å; M697-F893 HydrophobicContact CG-CE1 4.34Å; M697-L896 HydrophobicContact CG-CD2 3.58Å; M697-L896 HydrophobicContact SD-CD2 3.96Å
698	Y	94.9	Very high	92.4	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-56.4	-49.5	174.8	176.5	-103.4	0	0	0	112.2	P532 S535 I690 H691 F694 R695 D696 H700 L701 R702 V708	P532-Y698 HydrophobicContact CB-CE1 4.48Å; S535-Y698 WeakPolarHBondContact OG-CE1 3.42Å; S535-Y698 PolarHBondContact OG-OH 2.77Å; I690-Y698 HydrophobicContact CD1-CD2 3.76Å; I690-Y698 HydrophobicContact CG1-CD2 3.67Å; I690-Y698 HydrophobicContact CG1-CG 4.03Å; I690-Y698 VanDerWaalsContact O-CB 3.3Å; I690-Y698 WeakPolarHBondContact O-CB 3.41Å; H691-Y698 AromaticContact CE1-CD2 3.9Å; H691-Y698 AromaticContact CE1-CE2 3.7Å; H691-Y698 AromaticContact CE1-CZ 3.76Å; F694-Y698 PolarHBondContact O-N 2.75Å; R695-Y698 WeakPolarHBondContact O-CB 3.31Å; R695-Y698 PolarHBondContact O-N 2.71Å; D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 2.65Å; Y698-H700 VanDerWaalsContact C-N 3.29Å; Y698-H700 PolarHBondContact O-N 3.43Å; Y698-L701 PolarHBondContact O-N 3.21Å; Y698-R702 HydrophobicContact CD1-CG 4.14Å; Y698-R702 HydrophobicContact CD2-CG 4.26Å; Y698-R702 HydrophobicContact CE1-CG 3.74Å; Y698-R702 HydrophobicContact CE2-CG 3.89Å; Y698-R702 HydrophobicContact CG-CG 4.4Å; Y698-R702 WeakPolarHBondContact O-CB 3.46Å; Y698-R702 VanDerWaalsContact O-CG 3.27Å; Y698-R702 WeakPolarHBondContact O-CG 3.26Å; Y698-R702 PolarHBondContact O-N 3.47Å; Y698-V708 HydrophobicContact CD2-CB 4.21Å; Y698-V708 HydrophobicContact CD2-CG2 4.5Å; Y698-V708 HydrophobicContact CE2-CB 4.08Å
699	Q	93.8	Very high	92.9	Very high	76 Å²	76	25 Å²	25	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-60.8	-39.6	179.5	-69.7	178.2	29.9	0	0	112	R695 D696 M697 R702 S703	R695-Q699 WeakPolarHBondContact O-CG 3.46Å; R695-Q699 PolarHBondContact O-N 2.59Å; D696-Q699 PolarHBondContact O-N 2.67Å; M697-Q699 PolarHBondContact O-N 3.48Å; Q699-R702 PolarHBondContact O-N 3.14Å; Q699-S703 WeakPolarHBondContact O-CB 3.34Å; Q699-S703 PolarHBondContact O-N 2.81Å
700	H	95.4	Very high	93.1	Very high	39 Å²	39	25.9 Å²	25.9	18%	0.181	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-52	174.9	179	74.5	0	0	0	111.2	D696 M697 Y698 R702 S703 M704 F893 D897	D696-H700 WeakPolarHBondContact O-CB 3.41Å; D696-H700 PolarHBondContact O-N 3.41Å; M697-H700 WeakPolarHBondContact O-CB 3.35Å; M697-H700 PolarHBondContact O-N 3.41Å; Y698-H700 VanDerWaalsContact C-N 3.29Å; Y698-H700 PolarHBondContact O-N 3.43Å; H700-R702 VanDerWaalsContact C-N 3.3Å; H700-R702 PolarHBondContact O-N 2.92Å; H700-S703 WeakPolarHBondContact O-CB 3.49Å; H700-S703 PolarHBondContact O-N 3.05Å; H700-S703 PolarHBondContact O-OG 2.84Å; H700-M704 PolarHBondContact O-N 2.86Å; H700-F893 HydrophobicContact CB-CD2 4.04Å; H700-F893 HydrophobicContact CB-CE2 4.27Å; H700-F893 HydrophobicContact CB-CG 4.24Å; H700-F893 AromaticContact CG-CD2 3.97Å; H700-F893 AromaticContact CG-CG 3.95Å; H700-D897 IonicContact CD2-OD1 3.71Å; H700-D897 IonicContact CE1-OD2 3.86Å; H700-D897 PolarHBondContact CE1-OD2 3.25Å; H700-D897 IonicContact NE2-OD1 3.48Å; H700-D897 PolarHBondContact NE2-OD1 3.22Å; H700-D897 IonicContact NE2-OD2 2.79Å; H700-D897 PolarHBondContact NE2-OD2 3.24Å
701	L	95.7	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-42	177.4	-68.9	178.5	0	0	0	112.3	M697 Y698 M704 G705 Y706 V708 L896 L900	M697-L701 HydrophobicContact CE-CD1 4.39Å; M697-L701 HydrophobicContact CG-CD1 4.38Å; M697-L701 WeakPolarHBondContact O-CG 3.37Å; M697-L701 PolarHBondContact O-N 3.22Å; Y698-L701 PolarHBondContact O-N 3.21Å; L701-M704 PolarHBondContact O-N 3.28Å; L701-G705 PolarHBondContact O-N 3.16Å; L701-Y706 HydrophobicContact CD2-CD2 4.25Å; L701-Y706 PolarHBondContact O-N 3.12Å; L701-V708 HydrophobicContact CB-CG2 3.87Å; L701-V708 HydrophobicContact CD1-CG2 3.85Å; L701-L896 HydrophobicContact CD1-CD2 4.32Å; L701-L896 HydrophobicContact CD2-CD2 3.86Å; L701-L896 HydrophobicContact CD2-CG 4.23Å; L701-L896 HydrophobicContact CG-CD2 4.21Å; L701-L900 HydrophobicContact CD2-CD1 3.31Å
702	R	94.9	Very high	93.2	Very high	44 Å²	44	27.2 Å²	27.2	17%	0.166	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-40.2	175.2	-69.3	-55.5	-54.4	153.8	-0.5	112.1	S535 Y698 Q699 H700 M704 G705 Y706	S535-R702 PolarHBondContact O-NE 2.81Å; S535-R702 PolarHBondContact O-NH2 2.94Å; Y698-R702 HydrophobicContact CD1-CG 4.14Å; Y698-R702 HydrophobicContact CD2-CG 4.26Å; Y698-R702 HydrophobicContact CE1-CG 3.74Å; Y698-R702 HydrophobicContact CE2-CG 3.89Å; Y698-R702 HydrophobicContact CG-CG 4.4Å; Y698-R702 WeakPolarHBondContact O-CB 3.46Å; Y698-R702 VanDerWaalsContact O-CG 3.27Å; Y698-R702 WeakPolarHBondContact O-CG 3.26Å; Y698-R702 PolarHBondContact O-N 3.47Å; Q699-R702 PolarHBondContact O-N 3.14Å; H700-R702 VanDerWaalsContact C-N 3.3Å; H700-R702 PolarHBondContact O-N 2.92Å; R702-M704 PolarHBondContact O-N 3.13Å; R702-G705 PolarHBondContact O-N 2.92Å; R702-Y706 WeakPolarHBondContact CD-O 3.35Å; R702-Y706 PolarHBondContact NH1-O 3.15Å
703	S	94.6	Very high	93.3	Very high	90 Å²	90	27.6 Å²	27.6	63%	0.629	16%	0.157	S	C	*	.	H	α-helix	trans	-64.2	-29.7	176.4	82.8	0	0	0	0	112.8	Q699 H700 G705	Q699-S703 WeakPolarHBondContact O-CB 3.34Å; Q699-S703 PolarHBondContact O-N 2.81Å; H700-S703 WeakPolarHBondContact O-CB 3.49Å; H700-S703 PolarHBondContact O-N 3.05Å; H700-S703 PolarHBondContact O-OG 2.84Å; S703-G705 VanDerWaalsContact C-N 3.27Å; S703-G705 PolarHBondContact O-N 3.23Å
704	M	92.9	Very high	93.7	Very high	76 Å²	76	27.8 Å²	27.8	37%	0.374	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-0.5	175.2	-67.2	-63.8	-79.3	0	0	113.6	K654 H700 L701 R702 Y706	K654-M704 PolarHBondContact NZ-O 3.5Å; H700-M704 PolarHBondContact O-N 2.86Å; L701-M704 PolarHBondContact O-N 3.28Å; R702-M704 PolarHBondContact O-N 3.13Å; M704-Y706 HydrophobicContact CB-CD2 3.79Å; M704-Y706 HydrophobicContact CB-CE2 3.93Å
705	G	93.8	Very high	93.8	Very high	35 Å²	35	27.8 Å²	27.8	36%	0.361	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	19.7	176.4	0	0	0	0	0	114.7	L701 R702 S703	L701-G705 PolarHBondContact O-N 3.16Å; R702-G705 PolarHBondContact O-N 2.92Å; S703-G705 VanDerWaalsContact C-N 3.27Å; S703-G705 PolarHBondContact O-N 3.23Å
706	Y	95.4	Very high	94	Very high	4 Å²	4	27 Å²	27	2%	0.016	16%	0.159	C	C	.	.			trans	-82.8	137.8	171.5	-68.6	-80.4	0	0	0	111	K654 V656 L701 R702 M704 L900	K654-Y706 HydrophobicContact CD-CD1 3.89Å; K654-Y706 HydrophobicContact CD-CE1 3.89Å; K654-Y706 HydrophobicContact CD-CG 4.44Å; K654-Y706 CarbonylContact O-C 3.48Å; K654-Y706 WeakPolarHBondContact O-CA 3.18Å; V656-Y706 HydrophobicContact CG2-CD1 3.94Å; V656-Y706 HydrophobicContact CG2-CG 4.39Å; L701-Y706 HydrophobicContact CD2-CD2 4.25Å; L701-Y706 PolarHBondContact O-N 3.12Å; R702-Y706 WeakPolarHBondContact CD-O 3.35Å; R702-Y706 PolarHBondContact NH1-O 3.15Å; M704-Y706 HydrophobicContact CB-CD2 3.79Å; M704-Y706 HydrophobicContact CB-CE2 3.93Å; Y706-L900 HydrophobicContact CD2-CD1 4.27Å; Y706-L900 HydrophobicContact CE1-CB 4.41Å; Y706-L900 HydrophobicContact CE1-CD1 4.47Å; Y706-L900 HydrophobicContact CE2-CD1 3.99Å
707	F	96.1	Very high	94	Very high	27 Å²	27	26.1 Å²	26.1	12%	0.118	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.6	168.4	-70.8	-100.3	0	0	0	108.3	P537 Y539 V647 P650 K654 V656	P537-F707 HydrophobicContact CG-CE1 3.98Å; P537-F707 HydrophobicContact CG-CZ 4.33Å; Y539-F707 AromaticContact CD1-CD1 3.93Å; Y539-F707 HydrophobicContact CD1-CD1 3.93Å; Y539-F707 HydrophobicContact CD1-CE1 4.15Å; Y539-F707 HydrophobicContact CE1-CB 4.12Å; Y539-F707 AromaticContact CE1-CD1 3.7Å; Y539-F707 HydrophobicContact CE1-CD1 3.7Å; Y539-F707 HydrophobicContact CE1-CE1 4.38Å; Y539-F707 HydrophobicContact CE1-CG 4.05Å; V647-F707 HydrophobicContact CG2-CE1 4.35Å; V647-F707 HydrophobicContact CG2-CZ 4.3Å; P650-F707 HydrophobicContact CB-CD2 3.95Å; P650-F707 HydrophobicContact CB-CE2 3.75Å; P650-F707 HydrophobicContact CB-CZ 4.38Å; P650-F707 HydrophobicContact CG-CD2 3.79Å; P650-F707 HydrophobicContact CG-CE2 3.9Å; P650-F707 HydrophobicContact CG-CG 4.12Å; P650-F707 HydrophobicContact CG-CZ 4.29Å; K654-F707 PolarHBondContact O-N 3.46Å; V656-F707 PolarHBondContact N-O 2.76Å
708	V	95.4	Very high	94	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.9	-177.4	-161.8	0	0	0	0	109.1	Q536 V656 I690 Y698 L701	Q536-V708 PolarHBondContact NE2-O 2.99Å; Q536-V708 PolarHBondContact OE1-O 3.05Å; V656-V708 HydrophobicContact CB-CG1 4.43Å; V656-V708 HydrophobicContact CG1-CG1 4.46Å; V656-V708 WeakPolarHBondContact O-CA 3.49Å; I690-V708 HydrophobicContact CD1-CB 4.17Å; I690-V708 HydrophobicContact CD1-CG1 3.31Å; Y698-V708 HydrophobicContact CD2-CB 4.21Å; Y698-V708 HydrophobicContact CD2-CG2 4.5Å; Y698-V708 HydrophobicContact CE2-CB 4.08Å; L701-V708 HydrophobicContact CB-CG2 3.87Å; L701-V708 HydrophobicContact CD1-CG2 3.85Å
709	E	94.1	Very high	93.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.8	-173.6	-69.9	174.2	-168.7	0	0	110.3	Y539 G542 M543 V656 L657 W658 Y723	Y539-E709 WeakPolarHBondContact CE1-OE1 3.27Å; Y539-E709 PolarHBondContact OH-OE1 3.03Å; G542-E709 WeakPolarHBondContact CA-OE2 3.32Å; M543-E709 HydrophobicContact CB-CB 4.15Å; M543-E709 HydrophobicContact CG-CB 4.39Å; M543-E709 PolarHBondContact N-OE2 3.34Å; V656-E709 PolarHBondContact O-N 2.91Å; L657-E709 HydrophobicContact CD1-CB 4.08Å; W658-E709 WeakPolarHBondContact CB-O 3.43Å; W658-E709 PolarHBondContact N-O 3.11Å; E709-Y723 HydrophobicContact CB-CE1 4.5Å; E709-Y723 WeakPolarHBondContact OE2-CE1 3.45Å; E709-Y723 PolarHBondContact OE2-OH 3.44Å
710	V	92.9	Very high	93.9	Very high	18 Å²	18	26.9 Å²	26.9	11%	0.109	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	-170.8	-178.8	0	0	0	0	109.2	Y417 Q660 I690	Y417-V710 HydrophobicContact CE2-CB 4.21Å; Y417-V710 HydrophobicContact CE2-CG2 4.49Å; Y417-V710 WeakPolarHBondContact OH-CG2 3.45Å; Q660-V710 HydrophobicContact CB-CG1 3.54Å; Q660-V710 HydrophobicContact CG-CG1 4.03Å; I690-V710 HydrophobicContact CG2-CG2 3.57Å
711	L	92.7	Very high	93.7	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.5	174.6	179.6	65.6	0	0	0	109.7	L657 W658 Q660 Y661 A713 L715 F718	L657-L711 HydrophobicContact CD1-CB 4Å; L657-L711 HydrophobicContact CD2-CB 4.25Å; L657-L711 HydrophobicContact CD2-CD2 4.14Å; L657-L711 HydrophobicContact CG-CB 4.06Å; W658-L711 WeakPolarHBondContact O-CB 3.45Å; W658-L711 PolarHBondContact O-N 3.42Å; Q660-L711 WeakPolarHBondContact CA-O 3.02Å; Q660-L711 WeakPolarHBondContact CB-O 3.04Å; Q660-L711 PolarHBondContact N-O 2.78Å; Y661-L711 PolarHBondContact N-O 3.05Å; Y661-L711 VanDerWaalsContact N-O 3.15Å; L711-A713 HydrophobicContact CD1-CB 4.43Å; L711-A713 WeakPolarHBondContact CG-O 2.72Å; L711-L715 HydrophobicContact CD2-CD2 3.78Å; L711-F718 HydrophobicContact CD1-CB 4.11Å; L711-F718 HydrophobicContact CD1-CD1 4.32Å; L711-F718 HydrophobicContact CD1-CG 4.5Å; L711-F718 HydrophobicContact CD2-CD1 3.64Å; L711-F718 HydrophobicContact CD2-CE1 3.97Å; L711-F718 HydrophobicContact CD2-CG 4.4Å
712	G	90.4	Very high	93.6	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	19%	0.191	S	C	.	.			trans	-96.1	24	176.3	0	0	0	0	0	114.4
713	A	91.5	Very high	93.7	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	18%	0.183	C	C	.	.	S	Bend	trans	-141.5	165	-177.4	0	0	0	0	0	110.5	Y661 L711 C717 P961	Y661-A713 WeakPolarHBondContact CB-O 3.49Å; Y661-A713 VanDerWaalsContact CG-C 3.48Å; L711-A713 HydrophobicContact CD1-CB 4.43Å; L711-A713 WeakPolarHBondContact CG-O 2.72Å; A713-C717 HydrophobicContact CB-CB 4.02Å; A713-P961 HydrophobicContact CB-CG 3.91Å
714	P	93.4	Very high	93.6	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.032	16%	0.156	C	C	.	.			trans	-52.9	152.7	176.7	-26.1	33.4	0	0	0	113.1	Y661 T716 C717 F736 E739 L957 P958	Y661-P714 HydrophobicContact CD1-CG 4.3Å; Y661-P714 HydrophobicContact CE1-CB 4.36Å; Y661-P714 HydrophobicContact CE1-CG 3.77Å; Y661-P714 HydrophobicContact CE2-CG 4.32Å; P714-T716 PolarHBondContact O-N 3.37Å; P714-C717 WeakPolarHBondContact O-CB 3.33Å; P714-C717 PolarHBondContact O-N 2.85Å; P714-F736 HydrophobicContact CG-CE2 4.43Å; P714-E739 WeakPolarHBondContact CA-OE1 3.48Å; P714-E739 HydrophobicContact CB-CG 4.38Å; P714-E739 VanDerWaalsContact CB-OE1 3.3Å; P714-E739 WeakPolarHBondContact CB-OE1 3.41Å; P714-L957 HydrophobicContact CB-CD1 4.21Å; P714-L957 HydrophobicContact CG-CD1 4.4Å; P714-P958 HydrophobicContact CG-CG 3.85Å
715	L	94.6	Very high	93.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-58.7	-19.3	178.7	-58.3	-177.1	0	0	0	112.8	L711 C717 F718 L726 E739 L743	L711-L715 HydrophobicContact CD2-CD2 3.78Å; L715-C717 PolarHBondContact O-N 3.3Å; L715-F718 HydrophobicContact CB-CE1 4.2Å; L715-F718 HydrophobicContact CD2-CE1 4.12Å; L715-F718 VanDerWaalsContact O-CD1 3.27Å; L715-F718 WeakPolarHBondContact O-CD1 3.43Å; L715-F718 VanDerWaalsContact O-CE1 3.32Å; L715-F718 WeakPolarHBondContact O-CE1 3.38Å; L715-L726 HydrophobicContact CD2-CD2 4.06Å; L715-E739 HydrophobicContact CB-CB 4.18Å; L715-E739 HydrophobicContact CB-CG 4.07Å; L715-E739 HydrophobicContact CD1-CB 4.46Å; L715-E739 PolarHBondContact N-OE1 2.87Å; L715-L743 HydrophobicContact CD1-CD2 4.23Å
716	T	94.6	Very high	94	Very high	35 Å²	35	19.6 Å²	19.6	22%	0.215	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-67.9	-16.9	173	55.4	0	0	0	0	114	P714 E738 E739 K742 L957	P714-T716 PolarHBondContact O-N 3.37Å; T716-E738 HydrophobicContact CG2-CB 4.14Å; T716-E739 HydrophobicContact CG2-CG 3.93Å; T716-K742 HydrophobicContact CG2-CB 4.28Å; T716-L957 HydrophobicContact CG2-CD1 4.5Å; T716-L957 HydrophobicContact CG2-CD2 4.21Å
717	C	92.9	Very high	94	Very high	35 Å²	35	19.4 Å²	19.4	24%	0.236	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-96.8	-0.5	-168.2	-62.7	0	0	0	0	116.1	A713 P714 L715 C960	A713-C717 HydrophobicContact CB-CB 4.02Å; P714-C717 WeakPolarHBondContact O-CB 3.33Å; P714-C717 PolarHBondContact O-N 2.85Å; L715-C717 PolarHBondContact O-N 3.3Å; C717-C960 WeakPolarHBondContact CA-SG 3.19Å; C717-C960 HydrophobicContact CB-CB 3.68Å; C717-C960 WeakPolarHBondContact CB-SG 3.47Å; C717-C960 WeakPolarHBondContact SG-CA 3.43Å; C717-C960 WeakPolarHBondContact SG-CB 3.29Å; C717-C960 CovalentContact SG-SG 2.04Å; C717-C960 PolarHBondContact SG-SG 2.72Å
718	F	92.9	Very high	94	Very high	10 Å²	10	18.2 Å²	18.2	4%	0.044	12%	0.115	C	C	.	.	S	Bend	trans	-119.1	155.6	178.6	81.5	-81.5	0	0	0	113.4	M543 L657 L711 L715 A720 Y723 K742 L751	M543-F718 HydrophobicContact CE-CB 4.25Å; L657-F718 HydrophobicContact CD2-CB 4.47Å; L657-F718 HydrophobicContact CD2-CD1 4.13Å; L657-F718 HydrophobicContact CD2-CD2 3.43Å; L657-F718 VanDerWaalsContact CD2-CD2 3.43Å; L657-F718 HydrophobicContact CD2-CE1 4.22Å; L657-F718 HydrophobicContact CD2-CE2 3.52Å; L657-F718 HydrophobicContact CD2-CG 3.75Å; L657-F718 HydrophobicContact CD2-CZ 3.94Å; L711-F718 HydrophobicContact CD1-CB 4.11Å; L711-F718 HydrophobicContact CD1-CD1 4.32Å; L711-F718 HydrophobicContact CD1-CG 4.5Å; L711-F718 HydrophobicContact CD2-CD1 3.64Å; L711-F718 HydrophobicContact CD2-CE1 3.97Å; L711-F718 HydrophobicContact CD2-CG 4.4Å; L715-F718 HydrophobicContact CB-CE1 4.2Å; L715-F718 HydrophobicContact CD2-CE1 4.12Å; L715-F718 VanDerWaalsContact O-CD1 3.27Å; L715-F718 WeakPolarHBondContact O-CD1 3.43Å; L715-F718 VanDerWaalsContact O-CE1 3.32Å; L715-F718 WeakPolarHBondContact O-CE1 3.38Å; F718-A720 HydrophobicContact CE2-CB 3.93Å; F718-A720 HydrophobicContact CZ-CB 4.45Å; F718-Y723 AromaticContact CD2-CD2 3.93Å; F718-Y723 HydrophobicContact CD2-CD2 3.93Å; F718-Y723 HydrophobicContact CD2-CE2 4.15Å; F718-Y723 HydrophobicContact CE2-CD2 4.22Å; F718-K742 PolarHBondContact O-NZ 2.94Å; F718-L751 HydrophobicContact CE2-CD2 4.45Å; F718-L751 HydrophobicContact CZ-CD2 4.15Å
719	D	93.5	Very high	93.9	Very high	85 Å²	85	18.1 Å²	18.1	46%	0.455	12%	0.115	S	C	.	.			trans	-88.9	104.2	174.1	179	7.7	0	0	0	110.3	S721 Q722 Y723	D719-S721 PolarHBondContact O-N 2.85Å; D719-S721 VanDerWaalsContact OD1-CB 3.29Å; D719-S721 WeakPolarHBondContact OD1-CB 3.32Å; D719-S721 PolarHBondContact OD1-N 3.45Å; D719-S721 PolarHBondContact OD1-OG 3.09Å; D719-S721 PolarHBondContact OD2-OG 2.85Å; D719-Q722 HydrophobicContact CB-CG 4.25Å; D719-Q722 PolarHBondContact O-N 2.81Å; D719-Q722 PolarHBondContact OD2-NE2 2.89Å; D719-Y723 WeakPolarHBondContact O-CD2 3.02Å
720	A	93.6	Very high	93.8	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.033	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-64.8	-20.2	-180	0	0	0	0	0	114.2	R652 F718 Q722 Y723 D746 L751	R652-A720 PolarHBondContact NH2-O 3.01Å; F718-A720 HydrophobicContact CE2-CB 3.93Å; F718-A720 HydrophobicContact CZ-CB 4.45Å; A720-Q722 PolarHBondContact O-N 3.44Å; A720-Y723 PolarHBondContact O-N 2.92Å; A720-Y723 VanDerWaalsContact O-O 3.14Å; A720-D746 HydrophobicContact CB-CB 3.53Å; A720-L751 HydrophobicContact CB-CB 4.28Å; A720-L751 HydrophobicContact CB-CD1 4.45Å; A720-L751 HydrophobicContact CB-CD2 3.95Å; A720-L751 HydrophobicContact CB-CG 4.45Å
721	S	92.3	Very high	93.7	Very high	70 Å²	70	17 Å²	17	49%	0.49	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-65.4	-21.5	176.9	74.8	0	0	0	0	112.4	R652 D719	R652-S721 WeakPolarHBondContact CD-O 3.01Å; R652-S721 PolarHBondContact NE-O 3.45Å; D719-S721 PolarHBondContact O-N 2.85Å; D719-S721 VanDerWaalsContact OD1-CB 3.29Å; D719-S721 WeakPolarHBondContact OD1-CB 3.32Å; D719-S721 PolarHBondContact OD1-N 3.45Å; D719-S721 PolarHBondContact OD1-OG 3.09Å; D719-S721 PolarHBondContact OD2-OG 2.85Å
722	Q	93.9	Very high	93.6	Very high	53 Å²	53	17 Å²	17	25%	0.248	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-80	-19.9	178.8	-59.7	-54.9	-37.6	0	0	113.6	R655 D719 A720	R655-Q722 WeakPolarHBondContact CD-O 3.46Å; R655-Q722 PolarHBondContact NH1-O 2.78Å; D719-Q722 HydrophobicContact CB-CG 4.25Å; D719-Q722 PolarHBondContact O-N 2.81Å; D719-Q722 PolarHBondContact OD2-NE2 2.89Å; A720-Q722 PolarHBondContact O-N 3.44Å
723	Y	95.4	Very high	93.6	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.094	C	C	.	.			trans	-116.8	142.5	-171	-60.9	-82.9	0	0	0	111.9	M543 R652 R655 L657 E709 F718 D719 A720	M543-Y723 HydrophobicContact CE-CE2 4.12Å; M543-Y723 VanDerWaalsContact CE-OH 3.23Å; M543-Y723 WeakPolarHBondContact CE-OH 2.9Å; M543-Y723 WeakPolarHBondContact CG-OH 3.43Å; M543-Y723 PolarHBondContact N-OH 3.29Å; R652-Y723 VanDerWaalsContact CG-C 3.5Å; R652-Y723 PolarHBondContact NE-O 2.86Å; R652-Y723 PolarHBondContact NH2-O 3.05Å; R655-Y723 HydrophobicContact CB-CD1 4.13Å; L657-Y723 HydrophobicContact CB-CD1 3.81Å; L657-Y723 HydrophobicContact CB-CE1 4.24Å; L657-Y723 HydrophobicContact CB-CG 4.03Å; L657-Y723 HydrophobicContact CD1-CD1 4.44Å; L657-Y723 HydrophobicContact CD1-CE1 4.01Å; L657-Y723 HydrophobicContact CD2-CD2 4.14Å; L657-Y723 HydrophobicContact CD2-CE2 4.24Å; L657-Y723 HydrophobicContact CD2-CG 4.37Å; E709-Y723 HydrophobicContact CB-CE1 4.5Å; E709-Y723 WeakPolarHBondContact OE2-CE1 3.45Å; E709-Y723 PolarHBondContact OE2-OH 3.44Å; F718-Y723 AromaticContact CD2-CD2 3.93Å; F718-Y723 HydrophobicContact CD2-CD2 3.93Å; F718-Y723 HydrophobicContact CD2-CE2 4.15Å; F718-Y723 HydrophobicContact CE2-CD2 4.22Å; D719-Y723 WeakPolarHBondContact O-CD2 3.02Å; A720-Y723 PolarHBondContact O-N 2.92Å; A720-Y723 VanDerWaalsContact O-O 3.14Å
724	G	94.1	Very high	93.7	Very high	7 Å²	7	16 Å²	16	7%	0.072	10%	0.095	C	C	.	.	S	Bend	trans	-80.2	-44.4	174.5	0	0	0	0	0	111.7	R652 R655 S752	R652-G724 WeakPolarHBondContact O-CA 3.22Å; R652-G724 PolarHBondContact O-N 3.4Å; R652-G724 VanDerWaalsContact O-N 3.13Å; R655-G724 PolarHBondContact O-N 3.1Å; R655-G724 VanDerWaalsContact O-N 3.14Å; G724-S752 WeakPolarHBondContact O-CB 3.49Å; G724-S752 PolarHBondContact O-N 2.54Å
725	T	96.1	Very high	93.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.1	-173.6	-55.9	0	0	0	0	111.2	R655 V656 L657 S752 I754 L900 T903	R655-T725 PolarHBondContact O-N 3.06Å; V656-T725 WeakPolarHBondContact CA-O 3.35Å; L657-T725 PolarHBondContact N-O 3.29Å; T725-S752 CarbonylContact C-O 3.52Å; T725-S752 WeakPolarHBondContact CA-O 3.2Å; T725-I754 HydrophobicContact CG2-CB 4.43Å; T725-I754 HydrophobicContact CG2-CD1 3.69Å; T725-I754 HydrophobicContact CG2-CG1 3.7Å; T725-L900 HydrophobicContact CG2-CD2 4.14Å; T725-T903 PolarHBondContact OG1-OG1 3.43Å
726	L	97.2	Very high	93.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.9	163.2	178.9	64	0	0	0	108.5	L657 D659 L715 M728 L743 L751 S752 L753 I754	L657-L726 HydrophobicContact CB-CD1 4.15Å; L657-L726 HydrophobicContact CD2-CD1 4.17Å; L657-L726 HydrophobicContact CG-CD1 4.17Å; L657-L726 CarbonylContact O-C 3.54Å; D659-L726 HydrophobicContact CB-CD1 4.38Å; L715-L726 HydrophobicContact CD2-CD2 4.06Å; L726-M728 HydrophobicContact CD2-CG 4.43Å; L726-M728 HydrophobicContact CD2-SD 4.26Å; L726-M728 HydrophobicContact CG-CG 4.22Å; L726-L743 HydrophobicContact CD2-CD1 3.81Å; L726-L751 HydrophobicContact CB-CD1 4.47Å; L726-L751 HydrophobicContact CB-CD2 4.27Å; L726-S752 PolarHBondContact N-O 3.31Å; L726-L753 HydrophobicContact CB-CD1 4.26Å; L726-L753 HydrophobicContact CD2-CD1 4.1Å; L726-L753 HydrophobicContact CG-CD1 4.17Å; L726-L753 WeakPolarHBondContact O-CA 3.33Å; L726-I754 PolarHBondContact O-N 2.98Å
727	L	96.8	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.7	179.3	178.9	61.6	0	0	0	108.5	V656 L657 W658 D659 M697 V729 I754 F756 L896	V656-L727 HydrophobicContact CG1-CB 3.91Å; V656-L727 HydrophobicContact CG1-CD2 4.35Å; L657-L727 PolarHBondContact O-N 2.98Å; W658-L727 HydrophobicContact CE3-CD2 3.94Å; W658-L727 HydrophobicContact CE3-CG 4.15Å; W658-L727 HydrophobicContact CZ3-CD2 4.26Å; W658-L727 HydrophobicContact CZ3-CG 4.46Å; D659-L727 PolarHBondContact N-O 3.14Å; D659-L727 VanDerWaalsContact N-O 3.12Å; M697-L727 HydrophobicContact CE-CD2 4.43Å; M697-L727 HydrophobicContact SD-CD2 4.43Å; L727-V729 HydrophobicContact CD1-CG2 3.81Å; L727-V729 HydrophobicContact CD2-CG2 4.36Å; L727-V729 HydrophobicContact CG-CG2 3.83Å; L727-I754 HydrophobicContact CD1-CB 3.86Å; L727-I754 HydrophobicContact CD1-CG2 3.76Å; L727-F756 HydrophobicContact CD1-CD2 4.1Å; L727-F756 HydrophobicContact CD1-CE2 4.32Å; L727-L896 HydrophobicContact CD1-CD1 4.39Å
728	M	95.9	Very high	93.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124	176	-60.1	173.9	68.2	0	0	107.5	D659 L726 Y735 L753 I754 I755 F756 L791 L794	D659-M728 HydrophobicContact CB-CG 4.09Å; L726-M728 HydrophobicContact CD2-CG 4.43Å; L726-M728 HydrophobicContact CD2-SD 4.26Å; L726-M728 HydrophobicContact CG-CG 4.22Å; M728-Y735 HydrophobicContact CE-CE1 3.57Å; M728-Y735 WeakPolarHBondContact CE-OH 3.32Å; M728-L753 HydrophobicContact CG-CD1 4.1Å; M728-L753 HydrophobicContact SD-CD1 3.62Å; M728-I754 PolarHBondContact N-O 3.42Å; M728-I755 HydrophobicContact CB-CG1 4.28Å; M728-I755 WeakPolarHBondContact O-CA 3.36Å; M728-I755 HydrophobicContact SD-CG1 4.4Å; M728-F756 PolarHBondContact O-N 3.26Å; M728-L791 HydrophobicContact CE-CD2 4.22Å; M728-L794 HydrophobicContact CE-CD2 3.69Å; M728-L794 HydrophobicContact SD-CD2 4.15Å
729	V	93.6	Very high	93.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.8	-177.2	-178.4	0	0	0	0	107.5	W658 N663 F694 L727 S731 F756 I883	W658-V729 HydrophobicContact CE3-CG2 4.2Å; W658-V729 HydrophobicContact CH2-CB 3.44Å; W658-V729 VanDerWaalsContact CH2-CB 3.44Å; W658-V729 HydrophobicContact CH2-CG1 4Å; W658-V729 HydrophobicContact CH2-CG2 3.82Å; W658-V729 HydrophobicContact CZ2-CB 4.36Å; W658-V729 HydrophobicContact CZ3-CB 3.56Å; W658-V729 HydrophobicContact CZ3-CG1 4.33Å; W658-V729 HydrophobicContact CZ3-CG2 3.35Å; N663-V729 PolarHBondContact ND2-O 2.73Å; N663-V729 VanDerWaalsContact ND2-O 3.09Å; F694-V729 HydrophobicContact CD1-CG1 4.47Å; F694-V729 HydrophobicContact CE1-CG1 3.68Å; F694-V729 HydrophobicContact CE2-CG1 4.43Å; F694-V729 HydrophobicContact CZ-CG1 3.66Å; L727-V729 HydrophobicContact CD1-CG2 3.81Å; L727-V729 HydrophobicContact CD2-CG2 4.36Å; L727-V729 HydrophobicContact CG-CG2 3.83Å; V729-S731 PolarHBondContact O-N 3.01Å; V729-F756 WeakPolarHBondContact CA-O 3.44Å; V729-F756 HydrophobicContact CB-CB 4.3Å; V729-F756 HydrophobicContact CG1-CB 3.98Å; V729-F756 HydrophobicContact CG2-CB 4.06Å; V729-F756 HydrophobicContact CG2-CD2 4.25Å; V729-F756 HydrophobicContact CG2-CG 4.44Å; V729-I883 HydrophobicContact CB-CD1 4.49Å; V729-I883 HydrophobicContact CG1-CD1 3.71Å; V729-I883 HydrophobicContact CG1-CG1 4.46Å; V729-I883 HydrophobicContact CG2-CD1 3.92Å
730	D	90.6	Very high	93.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	10%	0.103	C	C	.	.	S	Bend	trans	49	55.7	174.8	-165.5	25.1	0	0	0	113.8	N663 E732 F756 G785	N663-D730 PolarHBondContact ND2-O 3.32Å; D730-E732 PolarHBondContact O-N 3.02Å; D730-F756 PolarHBondContact N-O 2.99Å; D730-G785 VanDerWaalsContact OD1-C 3.22Å
731	S	91.8	Very high	93.6	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.028	13%	0.127	C	C	.	.			trans	-80.4	121.5	-179.3	66	0	0	0	0	111	V729 Y735 N787 L791	V729-S731 PolarHBondContact O-N 3.01Å; S731-Y735 WeakPolarHBondContact CB-OH 3.34Å; S731-Y735 PolarHBondContact OG-OH 3.29Å; S731-N787 PolarHBondContact O-N 2.78Å; S731-L791 WeakPolarHBondContact OG-CD1 3.34Å; S731-L791 VanDerWaalsContact OG-CD2 3.24Å; S731-L791 WeakPolarHBondContact OG-CD2 3.48Å; S731-L791 VanDerWaalsContact OG-CG 3.29Å; S731-L791 WeakPolarHBondContact OG-CG 2.93Å
732	E	90.1	Very high	93.8	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.028	11%	0.112	C	C	.	.			trans	-103.9	-12.4	-176.9	-57.4	159.7	116.1	0	0	112.7	H662 L664 F671 D730 T783 N787	H662-E732 PolarHBondContact O-N 3.1Å; L664-E732 WeakPolarHBondContact CA-OE2 3.48Å; L664-E732 HydrophobicContact CB-CB 4.09Å; L664-E732 WeakPolarHBondContact CB-OE2 3.42Å; L664-E732 HydrophobicContact CD1-CB 3.77Å; L664-E732 WeakPolarHBondContact CD1-O 3.39Å; L664-E732 HydrophobicContact CG-CB 3.83Å; L664-E732 PolarHBondContact N-OE2 3.31Å; F671-E732 WeakPolarHBondContact CB-OE1 3.25Å; F671-E732 VanDerWaalsContact CD2-OE1 3.29Å; F671-E732 WeakPolarHBondContact CD2-OE1 3.46Å; F671-E732 WeakPolarHBondContact CG-OE1 2.86Å; D730-E732 PolarHBondContact O-N 3.02Å; E732-T783 HydrophobicContact CB-CG2 4.17Å; E732-N787 VanDerWaalsContact O-CB 3.31Å; E732-N787 WeakPolarHBondContact O-CB 3.5Å; E732-N787 PolarHBondContact O-ND2 3.41Å
733	E	90.9	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-91	160.3	-175.8	-173.3	57.5	-79.1	0	0	113.4	H662 L664 S942 K943 V944	H662-E733 HydrophobicContact CB-CB 4.02Å; H662-E733 WeakPolarHBondContact O-CB 3.49Å; H662-E733 PolarHBondContact O-N 3.42Å; L664-E733 HydrophobicContact CD2-CB 3.99Å; L664-E733 HydrophobicContact CD2-CG 4.19Å; L664-E733 WeakPolarHBondContact CD2-OE2 2.92Å; L664-E733 HydrophobicContact CG-CB 4.15Å; E733-S942 VanDerWaalsContact OE1-CB 3.25Å; E733-S942 WeakPolarHBondContact OE1-CB 3.05Å; E733-S942 PolarHBondContact OE1-OG 3.45Å; E733-S942 VanDerWaalsContact OE2-CA 3.3Å; E733-S942 WeakPolarHBondContact OE2-CA 3.3Å; E733-K943 WeakPolarHBondContact OE2-CB 3.38Å; E733-K943 VanDerWaalsContact OE2-CE 3.22Å; E733-K943 WeakPolarHBondContact OE2-CE 3.33Å; E733-K943 PolarHBondContact OE2-N 3.09Å; E733-V944 HydrophobicContact CG-CG2 4.04Å
734	E	92.8	Very high	93.8	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.075	12%	0.124	C	C	.	.			trans	-79	163.8	170	-67.9	-71.7	171.4	0	0	112.6	H662 N787 A790 R932 L938 V944 L945	H662-E734 PolarHBondContact CD2-O 2.97Å; E734-N787 PolarHBondContact OE1-ND2 3.27Å; E734-A790 VanDerWaalsContact OE2-CB 3.28Å; E734-A790 WeakPolarHBondContact OE2-CB 3.36Å; E734-R932 IonicContact OE1-CZ 3.53Å; E734-R932 IonicContact OE1-NE 2.83Å; E734-R932 PolarHBondContact OE1-NE 3.47Å; E734-R932 IonicContact OE1-NH2 2.82Å; E734-R932 PolarHBondContact OE1-NH2 3.37Å; E734-R932 IonicContact OE2-CZ 3.6Å; E734-R932 IonicContact OE2-NE 3.67Å; E734-R932 IonicContact OE2-NH2 2.66Å; E734-R932 PolarHBondContact OE2-NH2 3.37Å; E734-L938 HydrophobicContact CG-CD2 4.24Å; E734-V944 HydrophobicContact CB-CB 4.03Å; E734-V944 HydrophobicContact CB-CG1 3.98Å; E734-V944 WeakPolarHBondContact O-CG2 3.45Å; E734-L945 HydrophobicContact CB-CG 4.39Å; E734-L945 HydrophobicContact CG-CD1 3.81Å; E734-L945 HydrophobicContact CG-CD2 4.36Å; E734-L945 HydrophobicContact CG-CG 3.97Å
735	Y	94.1	Very high	93.7	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.071	15%	0.149	C	C	.	.			trans	-112.4	143.2	178.2	-60.7	-85.1	0	0	0	111.6	H662 M728 S731 A790 L791 L794	H662-Y735 HydrophobicContact CB-CE1 4.16Å; H662-Y735 AromaticContact CD2-CD1 3.51Å; H662-Y735 AromaticContact CD2-CE1 3.38Å; H662-Y735 WeakPolarHBondContact CD2-CE1 3.39Å; H662-Y735 AromaticContact CE1-CD1 3.8Å; H662-Y735 AromaticContact CE1-CE1 3.74Å; H662-Y735 AromaticContact CG-CE1 3.47Å; H662-Y735 VanDerWaalsContact CG-CE1 3.47Å; H662-Y735 AromaticContact ND1-CE1 3.7Å; H662-Y735 AromaticContact NE2-CD1 3.35Å; H662-Y735 VanDerWaalsContact NE2-CD1 3.35Å; H662-Y735 WeakPolarHBondContact NE2-CD1 2.95Å; H662-Y735 AromaticContact NE2-CE1 3.58Å; M728-Y735 HydrophobicContact CE-CE1 3.57Å; M728-Y735 WeakPolarHBondContact CE-OH 3.32Å; S731-Y735 WeakPolarHBondContact CB-OH 3.34Å; S731-Y735 PolarHBondContact OG-OH 3.29Å; Y735-A790 HydrophobicContact CD2-CB 4.08Å; Y735-A790 HydrophobicContact CE2-CB 4.15Å; Y735-L791 HydrophobicContact CE2-CD2 4.22Å; Y735-L791 WeakPolarHBondContact OH-CD2 3.48Å; Y735-L794 HydrophobicContact CD1-CD1 4.37Å; Y735-L794 HydrophobicContact CD1-CD2 4.17Å; Y735-L794 HydrophobicContact CD2-CB 4.12Å; Y735-L794 HydrophobicContact CD2-CD2 4.39Å; Y735-L794 HydrophobicContact CE1-CD2 3.88Å; Y735-L794 HydrophobicContact CE2-CB 4.39Å; Y735-L794 HydrophobicContact CE2-CD2 4.15Å; Y735-L794 HydrophobicContact CG-CB 4.46Å; Y735-L794 HydrophobicContact CG-CD1 4.35Å; Y735-L794 HydrophobicContact CG-CD2 4.42Å
736	F	94.2	Very high	93.7	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	15%	0.152	C	C	.	.			trans	-70.4	142.2	169.9	-65.2	-77.6	0	0	0	110.3	Y661 P714 E738 E739 I740 V944 R955 L957 P958	Y661-F736 HydrophobicContact CE1-CE2 4.33Å; P714-F736 HydrophobicContact CG-CE2 4.43Å; F736-E738 PolarHBondContact O-N 3.17Å; F736-E738 VanDerWaalsContact O-N 3.13Å; F736-E739 HydrophobicContact CB-CG 4.09Å; F736-E739 WeakPolarHBondContact CB-OE2 2.98Å; F736-E739 VanDerWaalsContact CD2-OE2 3.28Å; F736-E739 WeakPolarHBondContact CD2-OE2 3.48Å; F736-E739 PolarHBondContact N-OE2 2.96Å; F736-E739 WeakPolarHBondContact O-CB 3.42Å; F736-E739 PolarHBondContact O-N 3.33Å; F736-I740 PolarHBondContact O-N 2.85Å; F736-V944 HydrophobicContact CD1-CG1 3.86Å; F736-V944 HydrophobicContact CD2-CG1 4.42Å; F736-V944 HydrophobicContact CD2-CG2 4.04Å; F736-V944 HydrophobicContact CE1-CB 4.27Å; F736-V944 HydrophobicContact CE1-CG1 3.78Å; F736-V944 HydrophobicContact CE1-CG2 4.34Å; F736-V944 HydrophobicContact CE2-CB 4.37Å; F736-V944 HydrophobicContact CE2-CG1 4.37Å; F736-V944 HydrophobicContact CE2-CG2 3.58Å; F736-V944 HydrophobicContact CG-CG1 4.18Å; F736-V944 HydrophobicContact CZ-CB 4.07Å; F736-V944 HydrophobicContact CZ-CG1 4.05Å; F736-V944 HydrophobicContact CZ-CG2 3.74Å; F736-R955 HydrophobicContact CE1-CB 4.44Å; F736-R955 VanDerWaalsContact CE1-O 3.3Å; F736-R955 WeakPolarHBondContact CE1-O 3.5Å; F736-L957 HydrophobicContact CB-CD1 3.98Å; F736-L957 HydrophobicContact CD1-CD1 4.32Å; F736-L957 HydrophobicContact CD2-CD1 3.56Å; F736-L957 HydrophobicContact CE2-CD1 4.08Å; F736-L957 HydrophobicContact CG-CD1 3.7Å; F736-P958 HydrophobicContact CE2-CG 4.43Å; F736-P958 HydrophobicContact CZ-CG 4.49Å
737	P	90.8	Very high	93.6	Very high	72 Å²	72	32.4 Å²	32.4	47%	0.468	15%	0.152	S	C	.	.	H	α-helix	trans	-54.4	-34.4	176	-26.8	35.2	0	0	0	113.5	E739 I740 T741	P737-E739 VanDerWaalsContact C-N 3.31Å; P737-E739 PolarHBondContact O-N 3.1Å; P737-I740 PolarHBondContact O-N 3.23Å; P737-T741 PolarHBondContact O-N 2.02Å
738	E	93.9	Very high	93.4	Very high	91 Å²	91	35.2 Å²	35.2	43%	0.425	17%	0.167	S	C	.	.	H	α-helix	trans	-63.4	-35.8	176.6	-65	79.4	-176.6	0	0	112.2	T716 F736 T741 K742 L957	T716-E738 HydrophobicContact CG2-CB 4.14Å; F736-E738 PolarHBondContact O-N 3.17Å; F736-E738 VanDerWaalsContact O-N 3.13Å; E738-T741 PolarHBondContact O-N 2.86Å; E738-T741 PolarHBondContact O-OG1 2.95Å; E738-K742 WeakPolarHBondContact O-CB 3.25Å; E738-K742 PolarHBondContact O-N 2.94Å; E738-L957 HydrophobicContact CB-CD2 4.23Å; E738-L957 HydrophobicContact CG-CD2 4.36Å
739	E	95.1	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-41	178	-69.3	177.6	114.8	0	0	111.6	H662 P714 L715 T716 F736 P737 T741 K742 L743	H662-E739 IonicContact CE1-OE1 3.37Å; H662-E739 PolarHBondContact CE1-OE1 2.73Å; H662-E739 VanDerWaalsContact CE1-OE1 3.3Å; H662-E739 IonicContact NE2-OE1 2.72Å; H662-E739 PolarHBondContact NE2-OE1 2.88Å; H662-E739 IonicContact NE2-OE2 2.75Å; P714-E739 WeakPolarHBondContact CA-OE1 3.48Å; P714-E739 HydrophobicContact CB-CG 4.38Å; P714-E739 VanDerWaalsContact CB-OE1 3.3Å; P714-E739 WeakPolarHBondContact CB-OE1 3.41Å; L715-E739 HydrophobicContact CB-CB 4.18Å; L715-E739 HydrophobicContact CB-CG 4.07Å; L715-E739 HydrophobicContact CD1-CB 4.46Å; L715-E739 PolarHBondContact N-OE1 2.87Å; T716-E739 HydrophobicContact CG2-CG 3.93Å; F736-E739 HydrophobicContact CB-CG 4.09Å; F736-E739 WeakPolarHBondContact CB-OE2 2.98Å; F736-E739 VanDerWaalsContact CD2-OE2 3.28Å; F736-E739 WeakPolarHBondContact CD2-OE2 3.48Å; F736-E739 PolarHBondContact N-OE2 2.96Å; F736-E739 WeakPolarHBondContact O-CB 3.42Å; F736-E739 PolarHBondContact O-N 3.33Å; P737-E739 VanDerWaalsContact C-N 3.31Å; P737-E739 PolarHBondContact O-N 3.1Å; E739-T741 VanDerWaalsContact C-N 3.31Å; E739-T741 PolarHBondContact O-N 2.91Å; E739-K742 PolarHBondContact O-N 2.52Å; E739-L743 WeakPolarHBondContact O-CB 3.42Å; E739-L743 PolarHBondContact O-N 2.88Å
740	I	93.4	Very high	93.2	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.185	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-47.4	176.5	-54	177.7	0	0	0	109.9	F736 P737 K742 R744 L794 V797	F736-I740 PolarHBondContact O-N 2.85Å; P737-I740 PolarHBondContact O-N 3.23Å; I740-K742 VanDerWaalsContact C-N 3.34Å; I740-K742 PolarHBondContact O-N 3.06Å; I740-R744 WeakPolarHBondContact O-CB 3.46Å; I740-R744 PolarHBondContact O-N 3.05Å; I740-R744 VanDerWaalsContact O-N 3.1Å; I740-L794 HydrophobicContact CB-CD1 4.32Å; I740-L794 HydrophobicContact CG1-CD1 3.84Å; I740-V797 HydrophobicContact CG2-CG2 3.65Å
741	T	93.8	Very high	93.4	Very high	89 Å²	89	41 Å²	41	55%	0.546	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-36.1	179.2	67.4	0	0	0	0	112.8	P737 E738 E739 R745	P737-T741 PolarHBondContact O-N 2.02Å; E738-T741 PolarHBondContact O-N 2.86Å; E738-T741 PolarHBondContact O-OG1 2.95Å; E739-T741 VanDerWaalsContact C-N 3.31Å; E739-T741 PolarHBondContact O-N 2.91Å; T741-R745 PolarHBondContact O-N 2.8Å
742	K	95.1	Very high	93.6	Very high	40 Å²	40	41.1 Å²	41.1	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-49.8	177.7	176.5	61.2	161.1	71.4	0	111.3	T716 F718 E738 E739 I740 R744 R745 D746	T716-K742 HydrophobicContact CG2-CB 4.28Å; F718-K742 PolarHBondContact O-NZ 2.94Å; E738-K742 WeakPolarHBondContact O-CB 3.25Å; E738-K742 PolarHBondContact O-N 2.94Å; E739-K742 PolarHBondContact O-N 2.52Å; I740-K742 VanDerWaalsContact C-N 3.34Å; I740-K742 PolarHBondContact O-N 3.06Å; K742-R744 VanDerWaalsContact C-N 3.29Å; K742-R744 PolarHBondContact O-N 3.29Å; K742-R745 WeakPolarHBondContact O-CB 3.25Å; K742-R745 PolarHBondContact O-N 2.9Å; K742-R745 VanDerWaalsContact O-N 3.11Å; K742-D746 IonicContact NZ-OD1 3.44Å; K742-D746 PolarHBondContact NZ-OD1 3.12Å; K742-D746 IonicContact NZ-OD2 3.3Å; K742-D746 PolarHBondContact NZ-OD2 3.14Å; K742-D746 VanDerWaalsContact O-CG 3.26Å; K742-D746 PolarHBondContact O-N 3.27Å
743	L	95.4	Very high	93.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-41.4	-178.9	-177.1	62.7	0	0	0	111.1	L715 L726 E739 R745 D746 I747 L751 L753 L794 W798	L715-L743 HydrophobicContact CD1-CD2 4.23Å; L726-L743 HydrophobicContact CD2-CD1 3.81Å; E739-L743 WeakPolarHBondContact O-CB 3.42Å; E739-L743 PolarHBondContact O-N 2.88Å; L743-R745 PolarHBondContact O-N 2.91Å; L743-D746 PolarHBondContact O-N 2.96Å; L743-I747 HydrophobicContact CD1-CD1 3.92Å; L743-I747 HydrophobicContact CD1-CG1 4.22Å; L743-I747 HydrophobicContact CD2-CD1 4.47Å; L743-I747 HydrophobicContact CG-CD1 3.83Å; L743-I747 HydrophobicContact CG-CG1 4.48Å; L743-I747 WeakPolarHBondContact O-CG1 3.33Å; L743-I747 PolarHBondContact O-N 3.36Å; L743-L751 HydrophobicContact CD1-CD2 4.16Å; L743-L753 HydrophobicContact CD2-CD2 4.23Å; L743-L794 HydrophobicContact CD2-CD1 3.74Å; L743-L794 HydrophobicContact CD2-CD2 3.95Å; L743-L794 HydrophobicContact CD2-CG 3.96Å; L743-W798 HydrophobicContact CD2-CH2 4.24Å; L743-W798 HydrophobicContact CG-CH2 4.18Å
744	R	93.4	Very high	94.2	Very high	132 Å²	132	40.8 Å²	40.8	50%	0.498	20%	0.2	S	C	.	.	H	α-helix	trans	-53	-53.6	172.4	-173.9	-165.1	-178.9	150.3	-0.2	111.8	I740 K742 D746 I747 D748 V797 W798	I740-R744 WeakPolarHBondContact O-CB 3.46Å; I740-R744 PolarHBondContact O-N 3.05Å; I740-R744 VanDerWaalsContact O-N 3.1Å; K742-R744 VanDerWaalsContact C-N 3.29Å; K742-R744 PolarHBondContact O-N 3.29Å; R744-D746 VanDerWaalsContact C-N 3.29Å; R744-D746 PolarHBondContact O-N 3.02Å; R744-I747 PolarHBondContact O-N 2.9Å; R744-D748 PolarHBondContact O-N 2.88Å; R744-V797 HydrophobicContact CB-CG1 4.48Å; R744-V797 HydrophobicContact CG-CG1 3.93Å; R744-W798 HydrophobicContact CB-CZ2 4.38Å
745	R	93.8	Very high	94.4	Very high	157 Å²	157	40.1 Å²	40.1	59%	0.592	20%	0.197	S	C	*	.	H	α-helix	trans	-60.8	-40.1	180	-178.1	-173.9	-64.8	154	2.5	111.7	T741 K742 L743 D748 N749	T741-R745 PolarHBondContact O-N 2.8Å; K742-R745 WeakPolarHBondContact O-CB 3.25Å; K742-R745 PolarHBondContact O-N 2.9Å; K742-R745 VanDerWaalsContact O-N 3.11Å; L743-R745 PolarHBondContact O-N 2.91Å; R745-D748 PolarHBondContact O-N 3.3Å; R745-N749 WeakPolarHBondContact O-CB 3.02Å; R745-N749 VanDerWaalsContact O-CG 3.24Å; R745-N749 PolarHBondContact O-N 3Å; R745-N749 VanDerWaalsContact O-N 3.07Å; R745-N749 PolarHBondContact O-ND2 3.16Å
746	D	95.5	Very high	94.5	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.064	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-40.1	-178.7	-68.9	-22.5	0	0	0	112.3	A720 K742 L743 R744 N749 G750 L751	A720-D746 HydrophobicContact CB-CB 3.53Å; K742-D746 IonicContact NZ-OD1 3.44Å; K742-D746 PolarHBondContact NZ-OD1 3.12Å; K742-D746 IonicContact NZ-OD2 3.3Å; K742-D746 PolarHBondContact NZ-OD2 3.14Å; K742-D746 VanDerWaalsContact O-CG 3.26Å; K742-D746 PolarHBondContact O-N 3.27Å; L743-D746 PolarHBondContact O-N 2.96Å; R744-D746 VanDerWaalsContact C-N 3.29Å; R744-D746 PolarHBondContact O-N 3.02Å; D746-N749 CarbonylContact O-C 3.49Å; D746-N749 WeakPolarHBondContact O-CA 3.29Å; D746-N749 PolarHBondContact O-N 2.77Å; D746-N749 VanDerWaalsContact O-N 3.17Å; D746-G750 PolarHBondContact O-N 2.91Å; D746-L751 HydrophobicContact CB-CB 4.16Å; D746-L751 HydrophobicContact CB-CD2 3.85Å; D746-L751 VanDerWaalsContact O-CB 3.26Å; D746-L751 WeakPolarHBondContact O-CB 3.4Å; D746-L751 PolarHBondContact O-N 2.83Å
747	I	94.9	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-41.7	176.3	-67.8	170.2	0	0	0	110.3	L743 R744 N749 G750 L751 L753 W798 T866 G872 I874	L743-I747 HydrophobicContact CD1-CD1 3.92Å; L743-I747 HydrophobicContact CD1-CG1 4.22Å; L743-I747 HydrophobicContact CD2-CD1 4.47Å; L743-I747 HydrophobicContact CG-CD1 3.83Å; L743-I747 HydrophobicContact CG-CG1 4.48Å; L743-I747 WeakPolarHBondContact O-CG1 3.33Å; L743-I747 PolarHBondContact O-N 3.36Å; R744-I747 PolarHBondContact O-N 2.9Å; I747-N749 PolarHBondContact O-N 3.22Å; I747-G750 PolarHBondContact O-N 2.7Å; I747-L751 WeakPolarHBondContact CA-O 3.3Å; I747-L751 HydrophobicContact CG1-CB 4.47Å; I747-L751 WeakPolarHBondContact CG1-O 2.99Å; I747-L753 HydrophobicContact CD1-CB 3.97Å; I747-L753 HydrophobicContact CD1-CD2 3.91Å; I747-W798 HydrophobicContact CB-CZ2 4.19Å; I747-W798 HydrophobicContact CD1-CH2 3.53Å; I747-W798 HydrophobicContact CD1-CZ2 3.41Å; I747-W798 VanDerWaalsContact CD1-CZ2 3.41Å; I747-W798 HydrophobicContact CG1-CZ2 4.33Å; I747-W798 HydrophobicContact CG2-CZ2 4.42Å; I747-T866 HydrophobicContact CG2-CG2 3.67Å; I747-G872 PolarHBondContact O-N 2.95Å; I747-I874 HydrophobicContact CD1-CD1 4.36Å; I747-I874 HydrophobicContact CD1-CG1 4.5Å; I747-I874 HydrophobicContact CG2-CD1 4.4Å; I747-I874 HydrophobicContact CG2-CG1 4.38Å
748	D	92.7	Very high	94.6	Very high	59 Å²	59	35.8 Å²	35.8	32%	0.316	17%	0.171	S	C	.	.	H	α-helix	trans	-60	-28.6	173	-72.8	-28.1	0	0	0	112.3	R744 R745 G750 S868	R744-D748 PolarHBondContact O-N 2.88Å; R745-D748 PolarHBondContact O-N 3.3Å; D748-G750 VanDerWaalsContact C-N 3.29Å; D748-G750 PolarHBondContact O-N 3.05Å; D748-S868 PolarHBondContact OD1-OG 3.28Å
749	N	92.1	Very high	94.5	Very high	117 Å²	117	31.5 Å²	31.5	63%	0.626	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	14.2	174.1	-67.7	-34.8	0	0	0	113.8	R745 D746 I747	R745-N749 WeakPolarHBondContact O-CB 3.02Å; R745-N749 VanDerWaalsContact O-CG 3.24Å; R745-N749 PolarHBondContact O-N 3Å; R745-N749 VanDerWaalsContact O-N 3.07Å; R745-N749 PolarHBondContact O-ND2 3.16Å; D746-N749 CarbonylContact O-C 3.49Å; D746-N749 WeakPolarHBondContact O-CA 3.29Å; D746-N749 PolarHBondContact O-N 2.77Å; D746-N749 VanDerWaalsContact O-N 3.17Å; I747-N749 PolarHBondContact O-N 3.22Å
750	G	92.1	Very high	94.4	Very high	11 Å²	11	31.6 Å²	31.6	11%	0.113	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	15.3	171.2	0	0	0	0	0	115.6	R652 D746 I747 D748 G870	R652-G750 VanDerWaalsContact CZ-O 3.28Å; R652-G750 PolarHBondContact NH1-O 3.32Å; R652-G750 VanDerWaalsContact NH2-C 3.27Å; R652-G750 PolarHBondContact NH2-O 3.1Å; D746-G750 PolarHBondContact O-N 2.91Å; I747-G750 PolarHBondContact O-N 2.7Å; D748-G750 VanDerWaalsContact C-N 3.29Å; D748-G750 PolarHBondContact O-N 3.05Å; G750-G870 WeakPolarHBondContact CA-O 3.24Å
751	L	95.4	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.			trans	-74.4	130.4	164.9	179.4	69.5	0	0	0	109.4	F718 A720 L726 L743 D746 I747 G872	F718-L751 HydrophobicContact CE2-CD2 4.45Å; F718-L751 HydrophobicContact CZ-CD2 4.15Å; A720-L751 HydrophobicContact CB-CB 4.28Å; A720-L751 HydrophobicContact CB-CD1 4.45Å; A720-L751 HydrophobicContact CB-CD2 3.95Å; A720-L751 HydrophobicContact CB-CG 4.45Å; L726-L751 HydrophobicContact CB-CD1 4.47Å; L726-L751 HydrophobicContact CB-CD2 4.27Å; L743-L751 HydrophobicContact CD1-CD2 4.16Å; D746-L751 HydrophobicContact CB-CB 4.16Å; D746-L751 HydrophobicContact CB-CD2 3.85Å; D746-L751 VanDerWaalsContact O-CB 3.26Å; D746-L751 WeakPolarHBondContact O-CB 3.4Å; D746-L751 PolarHBondContact O-N 2.83Å; I747-L751 WeakPolarHBondContact CA-O 3.3Å; I747-L751 HydrophobicContact CG1-CB 4.47Å; I747-L751 WeakPolarHBondContact CG1-O 2.99Å; L751-G872 WeakPolarHBondContact O-CA 3.15Å
752	S	96.4	Very high	94.3	Very high	5 Å²	5	28 Å²	28	4%	0.035	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	154.6	172.2	-65.6	0	0	0	0	111.6	G724 T725 L726 R873 T903	G724-S752 WeakPolarHBondContact O-CB 3.49Å; G724-S752 PolarHBondContact O-N 2.54Å; T725-S752 CarbonylContact C-O 3.52Å; T725-S752 WeakPolarHBondContact CA-O 3.2Å; L726-S752 PolarHBondContact N-O 3.31Å; S752-R873 CarbonylContact C-O 3.41Å; S752-R873 WeakPolarHBondContact CA-O 3.33Å; S752-R873 VanDerWaalsContact CB-O 3.3Å; S752-R873 WeakPolarHBondContact CB-O 3.27Å; S752-R873 PolarHBondContact OG-N 3.05Å; S752-R873 VanDerWaalsContact OG-N 3.16Å; S752-T903 VanDerWaalsContact CB-CB 3.44Å; S752-T903 PolarHBondContact OG-O 2.88Å
753	L	96.2	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.8	-176.1	176.4	61.7	0	0	0	110.3	L726 M728 L743 I747 I755 R873 I874 A875	L726-L753 HydrophobicContact CB-CD1 4.26Å; L726-L753 HydrophobicContact CD2-CD1 4.1Å; L726-L753 HydrophobicContact CG-CD1 4.17Å; L726-L753 WeakPolarHBondContact O-CA 3.33Å; M728-L753 HydrophobicContact CG-CD1 4.1Å; M728-L753 HydrophobicContact SD-CD1 3.62Å; L743-L753 HydrophobicContact CD2-CD2 4.23Å; I747-L753 HydrophobicContact CD1-CB 3.97Å; I747-L753 HydrophobicContact CD1-CD2 3.91Å; L753-I755 HydrophobicContact CD1-CD1 4.47Å; L753-I755 HydrophobicContact CD1-CG1 4.01Å; L753-I755 HydrophobicContact CD2-CD1 3.86Å; L753-I755 HydrophobicContact CD2-CG1 4.22Å; L753-I755 HydrophobicContact CG-CD1 4.18Å; L753-I755 HydrophobicContact CG-CG1 3.97Å; L753-R873 PolarHBondContact N-O 2.91Å; L753-I874 HydrophobicContact CB-CG1 4.4Å; L753-I874 HydrophobicContact CD2-CG2 4.34Å; L753-I874 CarbonylContact O-C 3.55Å; L753-I874 WeakPolarHBondContact O-CA 3.42Å; L753-A875 PolarHBondContact O-N 3.31Å
754	I	97.4	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.1	169.8	-59	177.7	0	0	0	107.7	T725 L726 L727 M728 F756 A875 L899 L900 T903	T725-I754 HydrophobicContact CG2-CB 4.43Å; T725-I754 HydrophobicContact CG2-CD1 3.69Å; T725-I754 HydrophobicContact CG2-CG1 3.7Å; L726-I754 PolarHBondContact O-N 2.98Å; L727-I754 HydrophobicContact CD1-CB 3.86Å; L727-I754 HydrophobicContact CD1-CG2 3.76Å; M728-I754 PolarHBondContact N-O 3.42Å; I754-F756 HydrophobicContact CG2-CD2 3.81Å; I754-F756 HydrophobicContact CG2-CE2 3.55Å; I754-A875 WeakPolarHBondContact CA-O 3.19Å; I754-A875 HydrophobicContact CG1-CB 4.31Å; I754-L899 HydrophobicContact CD1-CB 3.86Å; I754-L899 HydrophobicContact CG2-CD1 4.08Å; I754-L900 HydrophobicContact CD1-CD2 3.79Å; I754-L900 HydrophobicContact CD1-CG 4.08Å; I754-T903 HydrophobicContact CD1-CG2 4.09Å; I754-T903 HydrophobicContact CG1-CG2 3.76Å
755	I	97.4	Very high	93.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.8	175.7	-60.1	172.8	0	0	0	108.7	M728 L753 L791 I795 F802 A875 L876 Y877	M728-I755 HydrophobicContact CB-CG1 4.28Å; M728-I755 WeakPolarHBondContact O-CA 3.36Å; M728-I755 HydrophobicContact SD-CG1 4.4Å; L753-I755 HydrophobicContact CD1-CD1 4.47Å; L753-I755 HydrophobicContact CD1-CG1 4.01Å; L753-I755 HydrophobicContact CD2-CD1 3.86Å; L753-I755 HydrophobicContact CD2-CG1 4.22Å; L753-I755 HydrophobicContact CG-CD1 4.18Å; L753-I755 HydrophobicContact CG-CG1 3.97Å; I755-L791 HydrophobicContact CG2-CD1 4.39Å; I755-L791 HydrophobicContact CG2-CD2 4.23Å; I755-I795 HydrophobicContact CD1-CG2 3.57Å; I755-F802 HydrophobicContact CG2-CE2 4.2Å; I755-F802 HydrophobicContact CG2-CZ 4.34Å; I755-A875 PolarHBondContact N-O 2.96Å; I755-L876 HydrophobicContact CB-CD2 3.87Å; I755-L876 HydrophobicContact CD1-CD2 3.75Å; I755-L876 HydrophobicContact CG1-CD2 4.14Å; I755-Y877 PolarHBondContact O-N 2.68Å
756	F	96.1	Very high	93.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.3	159.5	-74.2	-105.4	0	0	0	107	L727 M728 V729 D730 I754 Y877 D879 I883 L896 L899	L727-F756 HydrophobicContact CD1-CD2 4.1Å; L727-F756 HydrophobicContact CD1-CE2 4.32Å; M728-F756 PolarHBondContact O-N 3.26Å; V729-F756 WeakPolarHBondContact CA-O 3.44Å; V729-F756 HydrophobicContact CB-CB 4.3Å; V729-F756 HydrophobicContact CG1-CB 3.98Å; V729-F756 HydrophobicContact CG2-CB 4.06Å; V729-F756 HydrophobicContact CG2-CD2 4.25Å; V729-F756 HydrophobicContact CG2-CG 4.44Å; D730-F756 PolarHBondContact N-O 2.99Å; I754-F756 HydrophobicContact CG2-CD2 3.81Å; I754-F756 HydrophobicContact CG2-CE2 3.55Å; F756-Y877 WeakPolarHBondContact CA-O 3.3Å; F756-Y877 AromaticContact CD1-CD1 3.56Å; F756-Y877 HydrophobicContact CD1-CD1 3.56Å; F756-Y877 HydrophobicContact CD1-CE1 4.37Å; F756-Y877 HydrophobicContact CD1-CG 4.42Å; F756-Y877 AromaticContact CE1-CD1 3.49Å; F756-Y877 HydrophobicContact CE1-CD1 3.49Å; F756-Y877 VanDerWaalsContact CE1-CD1 3.49Å; F756-Y877 HydrophobicContact CE1-CE1 4.18Å; F756-Y877 HydrophobicContact CE1-CG 4.25Å; F756-Y877 HydrophobicContact CZ-CD1 4.5Å; F756-D879 WeakPolarHBondContact CD1-O 2.94Å; F756-I883 HydrophobicContact CB-CD1 4.29Å; F756-I883 HydrophobicContact CD1-CD1 3.79Å; F756-I883 HydrophobicContact CD1-CG1 4.26Å; F756-I883 HydrophobicContact CD2-CD1 4.09Å; F756-I883 HydrophobicContact CE1-CD1 4.13Å; F756-I883 HydrophobicContact CE1-CG2 4.45Å; F756-I883 HydrophobicContact CE2-CD1 4.38Å; F756-I883 HydrophobicContact CG-CD1 3.8Å; F756-I883 HydrophobicContact CZ-CD1 4.42Å; F756-L896 HydrophobicContact CE2-CD1 3.88Å; F756-L896 HydrophobicContact CZ-CD1 4.24Å; F756-L899 HydrophobicContact CE2-CD1 4.08Å; F756-L899 HydrophobicContact CZ-CD1 3.95Å
757	S	93.9	Very high	92.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.			trans	-107.9	170.2	176.8	-173.3	0	0	0	0	109.5	Y877 G878 D879 S880	S757-Y877 PolarHBondContact N-O 3.18Å; S757-G878 CarbonylContact O-C 3.55Å; S757-G878 VanDerWaalsContact O-O 3.1Å; S757-D879 CarbonylContact O-C 3.59Å; S757-D879 WeakPolarHBondContact O-CA 3.36Å; S757-D879 PolarHBondContact O-N 3.35Å; S757-S880 PolarHBondContact O-N 3.24Å
758	D	93.1	Very high	92.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.			trans	-123.6	-165.6	166.7	-74.3	-68.4	0	0	0	110.9	A786 V788 C824 S880	D758-A786 HydrophobicContact CB-CB 4.12Å; D758-V788 VanDerWaalsContact O-CG2 3.24Å; D758-V788 WeakPolarHBondContact O-CG2 3.33Å; D758-C824 PolarHBondContact O-SG 3.32Å; D758-S880 PolarHBondContact OD1-N 2.99Å; D758-S880 WeakPolarHBondContact OD2-CB 3.18Å; D758-S880 PolarHBondContact OD2-OG 2.94Å
759	W	92.4	Very high	91.5	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.137	C	C	.	.			trans	-75.4	150.7	-176.7	64.2	-78.3	0	0	0	113.7	P672 R673 D674 L676 V764 M765 G784 G785 L806 S822	P672-W759 HydrophobicContact CB-CH2 4.35Å; P672-W759 HydrophobicContact CB-CZ2 3.84Å; P672-W759 HydrophobicContact CG-CH2 4.08Å; P672-W759 HydrophobicContact CG-CZ2 3.7Å; R673-W759 PolarHBondContact O-NE1 3.48Å; D674-W759 PolarHBondContact O-NE1 2.91Å; L676-W759 HydrophobicContact CD1-CD2 3.92Å; L676-W759 HydrophobicContact CD1-CE3 4.23Å; L676-W759 HydrophobicContact CD1-CG 4.34Å; L676-W759 HydrophobicContact CD1-CZ2 4.22Å; L676-W759 HydrophobicContact CD1-CZ3 4.49Å; L676-W759 HydrophobicContact CD2-CH2 4.09Å; L676-W759 HydrophobicContact CD2-CZ2 3.57Å; L676-W759 HydrophobicContact CG-CD2 4.44Å; L676-W759 HydrophobicContact CG-CZ2 4.12Å; W759-V764 HydrophobicContact CE3-CG1 4.45Å; W759-V764 HydrophobicContact CH2-CG1 4.42Å; W759-V764 HydrophobicContact CZ3-CB 4.29Å; W759-V764 HydrophobicContact CZ3-CG1 3.91Å; W759-M765 HydrophobicContact CH2-CG 4.02Å; W759-M765 HydrophobicContact CZ3-CG 3.7Å; W759-G784 CarbonylContact O-C 3.46Å; W759-G784 WeakPolarHBondContact O-CA 3.33Å; W759-G785 PolarHBondContact O-N 2.04Å; W759-L806 HydrophobicContact CB-CD1 3.33Å; W759-L806 HydrophobicContact CD2-CD1 4.4Å; W759-L806 HydrophobicContact CG-CD1 3.77Å; W759-S822 WeakPolarHBondContact CB-O 3.47Å
760	Y	93	Very high	90.6	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	12%	0.12	C	C	.	.			trans	-148	111.9	164.8	-172.1	-76.3	0	0	0	108.8	T762 M765 A786 V788 P789 P930 Q931 R932 L933	Y760-T762 HydrophobicContact CE1-CG2 3.94Å; Y760-M765 HydrophobicContact CD1-SD 4.41Å; Y760-M765 HydrophobicContact CD2-SD 4.35Å; Y760-M765 HydrophobicContact CE1-SD 4.13Å; Y760-M765 HydrophobicContact CE2-CE 4.23Å; Y760-M765 HydrophobicContact CE2-SD 4.11Å; Y760-M765 HydrophobicContact CG-SD 4.49Å; Y760-A786 WeakPolarHBondContact CD2-O 3.19Å; Y760-V788 VanDerWaalsContact CB-CG2 3.44Å; Y760-V788 HydrophobicContact CG-CB 4.24Å; Y760-P789 HydrophobicContact CD1-CG 3.84Å; Y760-P789 HydrophobicContact CD2-CG 4.32Å; Y760-P789 HydrophobicContact CE1-CG 3.57Å; Y760-P789 HydrophobicContact CE2-CG 4.06Å; Y760-P789 HydrophobicContact CG-CG 4.23Å; Y760-P930 HydrophobicContact CD1-CB 3.88Å; Y760-P930 HydrophobicContact CE1-CB 4.49Å; Y760-Q931 VanDerWaalsContact CE1-O 3.31Å; Y760-Q931 WeakPolarHBondContact CE1-O 3.37Å; Y760-R932 WeakPolarHBondContact OH-CA 3.42Å; Y760-L933 PolarHBondContact OH-N 2.88Å
761	N	92.4	Very high	89.3	Confident	16 Å²	16	27.9 Å²	27.9	9%	0.086	13%	0.13	C	C	.	.			trans	-143	114.3	177.7	-175.7	-58.7	0	0	0	110.3	S763 V764 M765 D804	N761-S763 VanDerWaalsContact C-N 3.25Å; N761-S763 PolarHBondContact O-N 2.75Å; N761-S763 WeakPolarHBondContact OD1-CA 3.32Å; N761-S763 WeakPolarHBondContact OD1-CB 3.3Å; N761-S763 PolarHBondContact OD1-N 3.24Å; N761-V764 HydrophobicContact CB-CB 4.04Å; N761-V764 HydrophobicContact CB-CG2 4.02Å; N761-V764 PolarHBondContact O-N 3.26Å; N761-V764 VanDerWaalsContact O-N 3.15Å; N761-V764 PolarHBondContact OD1-N 2.95Å; N761-M765 WeakPolarHBondContact O-CB 3.45Å; N761-M765 WeakPolarHBondContact O-CG 3.22Å; N761-M765 PolarHBondContact O-N 3Å; N761-D804 PolarHBondContact ND2-O 2.72Å
762	T	91.2	Very high	87.5	Confident	33 Å²	33	28.1 Å²	28.1	20%	0.202	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-30.7	-174.6	57.7	0	0	0	0	113.3	Y760 R766 Q931 L933	Y760-T762 HydrophobicContact CE1-CG2 3.94Å; T762-R766 WeakPolarHBondContact O-CB 3.37Å; T762-R766 WeakPolarHBondContact O-CD 3.21Å; T762-R766 WeakPolarHBondContact O-CG 3.35Å; T762-R766 PolarHBondContact O-N 3.04Å; T762-R766 VanDerWaalsContact O-N 3.11Å; T762-Q931 VanDerWaalsContact CG2-O 3.22Å; T762-Q931 WeakPolarHBondContact CG2-O 3.14Å; T762-L933 HydrophobicContact CG2-CB 4.42Å; T762-L933 HydrophobicContact CG2-CD1 4.21Å
763	S	90.6	Very high	85	Confident	53 Å²	53	33.5 Å²	33.5	37%	0.371	16%	0.156	S	C	.	.	H	α-helix	trans	-72.2	-42.6	177.1	-62.3	0	0	0	0	111.3	N761 K767	N761-S763 VanDerWaalsContact C-N 3.25Å; N761-S763 PolarHBondContact O-N 2.75Å; N761-S763 WeakPolarHBondContact OD1-CA 3.32Å; N761-S763 WeakPolarHBondContact OD1-CB 3.3Å; N761-S763 PolarHBondContact OD1-N 3.24Å; S763-K767 PolarHBondContact O-N 3.4Å
764	V	89.3	Confident	82.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-46.8	175.3	174.4	0	0	0	0	110.4	L676 W759 N761 R766 K767 V768 L806 V847 L848	L676-V764 HydrophobicContact CD1-CG1 3.94Å; W759-V764 HydrophobicContact CE3-CG1 4.45Å; W759-V764 HydrophobicContact CH2-CG1 4.42Å; W759-V764 HydrophobicContact CZ3-CB 4.29Å; W759-V764 HydrophobicContact CZ3-CG1 3.91Å; N761-V764 HydrophobicContact CB-CB 4.04Å; N761-V764 HydrophobicContact CB-CG2 4.02Å; N761-V764 PolarHBondContact O-N 3.26Å; N761-V764 VanDerWaalsContact O-N 3.15Å; N761-V764 PolarHBondContact OD1-N 2.95Å; V764-R766 VanDerWaalsContact C-N 3.3Å; V764-R766 PolarHBondContact O-N 3.15Å; V764-K767 CarbonylContact O-C 3.55Å; V764-K767 WeakPolarHBondContact O-CA 3.46Å; V764-K767 WeakPolarHBondContact O-CB 3.19Å; V764-K767 PolarHBondContact O-N 2.89Å; V764-V768 HydrophobicContact CG1-CG2 3.81Å; V764-V768 WeakPolarHBondContact O-CG2 3.49Å; V764-V768 PolarHBondContact O-N 3.34Å; V764-L806 HydrophobicContact CG1-CD2 4.27Å; V764-L806 HydrophobicContact CG2-CD2 4.07Å; V764-V847 HydrophobicContact CG1-CG1 4.14Å; V764-L848 HydrophobicContact CG2-CG 4.35Å
765	M	88.4	Confident	80.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-50.7	-47.6	174.5	-74.9	169.7	77.9	0	0	112.1	W759 Y760 N761 K767 V768 K769 P781 L933	W759-M765 HydrophobicContact CH2-CG 4.02Å; W759-M765 HydrophobicContact CZ3-CG 3.7Å; Y760-M765 HydrophobicContact CD1-SD 4.41Å; Y760-M765 HydrophobicContact CD2-SD 4.35Å; Y760-M765 HydrophobicContact CE1-SD 4.13Å; Y760-M765 HydrophobicContact CE2-CE 4.23Å; Y760-M765 HydrophobicContact CE2-SD 4.11Å; Y760-M765 HydrophobicContact CG-SD 4.49Å; N761-M765 WeakPolarHBondContact O-CB 3.45Å; N761-M765 WeakPolarHBondContact O-CG 3.22Å; N761-M765 PolarHBondContact O-N 3Å; M765-K767 PolarHBondContact O-N 2.93Å; M765-V768 PolarHBondContact O-N 2.72Å; M765-K769 PolarHBondContact O-N 3.28Å; M765-P781 HydrophobicContact CB-CG 3.67Å; M765-P781 HydrophobicContact CE-CB 4.23Å; M765-P781 HydrophobicContact CE-CG 4.2Å; M765-P781 WeakPolarHBondContact CE-O 3.06Å; M765-P781 HydrophobicContact CG-CG 3.83Å; M765-P781 WeakPolarHBondContact O-CD 3.01Å; M765-L933 HydrophobicContact CE-CB 4.45Å; M765-L933 HydrophobicContact CE-CD2 4.12Å
766	R	87.9	Confident	77.4	Confident	119 Å²	119	41 Å²	41	45%	0.449	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-19.1	176.2	-73.8	171.6	-174.5	162.4	0.1	114	T762 V764 K769 L933	T762-R766 WeakPolarHBondContact O-CB 3.37Å; T762-R766 WeakPolarHBondContact O-CD 3.21Å; T762-R766 WeakPolarHBondContact O-CG 3.35Å; T762-R766 PolarHBondContact O-N 3.04Å; T762-R766 VanDerWaalsContact O-N 3.11Å; V764-R766 VanDerWaalsContact C-N 3.3Å; V764-R766 PolarHBondContact O-N 3.15Å; R766-K769 WeakPolarHBondContact O-CD 3.36Å; R766-K769 WeakPolarHBondContact O-CE 3.31Å; R766-K769 WeakPolarHBondContact O-CG 3.26Å; R766-L933 HydrophobicContact CG-CD1 4.3Å
767	K	85.8	Confident	75.7	Confident	97 Å²	97	47 Å²	47	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-97	-31.5	179.4	-168.5	167	-174.2	178.4	0	113.1	S763 V764 M765 K769 V847 L848	S763-K767 PolarHBondContact O-N 3.4Å; V764-K767 CarbonylContact O-C 3.55Å; V764-K767 WeakPolarHBondContact O-CA 3.46Å; V764-K767 WeakPolarHBondContact O-CB 3.19Å; V764-K767 PolarHBondContact O-N 2.89Å; M765-K767 PolarHBondContact O-N 2.93Å; K767-K769 PolarHBondContact O-N 2.87Å; K767-V847 HydrophobicContact CD-CG1 4.16Å; K767-V847 VanDerWaalsContact CD-O 3.25Å; K767-V847 WeakPolarHBondContact CD-O 3.3Å; K767-V847 WeakPolarHBondContact CE-O 3.07Å; K767-V847 HydrophobicContact CG-CG1 4.49Å; K767-V847 PolarHBondContact NZ-O 2.8Å; K767-L848 HydrophobicContact CB-CD2 4.38Å; K767-L848 HydrophobicContact CD-CD2 4.01Å; K767-L848 VanDerWaalsContact NZ-C 3.31Å; K767-L848 PolarHBondContact NZ-O 3.4Å
768	V	81	Confident	74.3	Confident	32 Å²	32	53.8 Å²	53.8	19%	0.194	24%	0.244	C	C	.	.	H	α-helix	trans	-73.7	-8.9	174	178.9	0	0	0	0	111.4	L676 V764 M765 F770	L676-V768 HydrophobicContact CD2-CG2 4.14Å; V764-V768 HydrophobicContact CG1-CG2 3.81Å; V764-V768 WeakPolarHBondContact O-CG2 3.49Å; V764-V768 PolarHBondContact O-N 3.34Å; M765-V768 PolarHBondContact O-N 2.72Å; V768-F770 PolarHBondContact O-N 3.13Å; V768-F770 VanDerWaalsContact O-N 3.14Å
769	K	79.3	Confident	73.6	Confident	84 Å²	84	54.7 Å²	54.7	37%	0.365	25%	0.248	S	C	.	.			trans	-49.5	124.5	167.9	79	179	179.7	176.4	0	110.2	M765 R766 K767 W778 W779 M780	M765-K769 PolarHBondContact O-N 3.28Å; R766-K769 WeakPolarHBondContact O-CD 3.36Å; R766-K769 WeakPolarHBondContact O-CE 3.31Å; R766-K769 WeakPolarHBondContact O-CG 3.26Å; K767-K769 PolarHBondContact O-N 2.87Å; K769-W778 HydrophobicContact CB-CE3 4.39Å; K769-W778 HydrophobicContact CD-CB 4.48Å; K769-W778 HydrophobicContact CD-CD2 4.35Å; K769-W778 HydrophobicContact CD-CE3 3.85Å; K769-W778 HydrophobicContact CD-CZ3 4.48Å; K769-W778 HydrophobicContact CG-CE3 3.75Å; K769-W778 HydrophobicContact CG-CZ3 4.15Å; K769-W779 VanDerWaalsContact CA-O 3.24Å; K769-W779 WeakPolarHBondContact CA-O 3.29Å; K769-W779 WeakPolarHBondContact CB-O 3.47Å; K769-M780 HydrophobicContact CB-CG 3.79Å; K769-M780 HydrophobicContact CD-CG 4.23Å; K769-M780 HydrophobicContact CD-SD 4.24Å
770	F	74.2	Confident	72.8	Confident	60 Å²	60	58.6 Å²	58.6	26%	0.263	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.4	165.3	57.1	-89.1	0	0	0	107.2	P682 L683 V768 D772 W779	P682-F770 HydrophobicContact CG-CD1 4.5Å; P682-F770 HydrophobicContact CG-CE1 4.2Å; L683-F770 HydrophobicContact CD1-CZ 4.19Å; L683-F770 HydrophobicContact CD2-CE1 4.45Å; V768-F770 PolarHBondContact O-N 3.13Å; V768-F770 VanDerWaalsContact O-N 3.14Å; F770-D772 VanDerWaalsContact C-N 3.29Å; F770-D772 HydrophobicContact CD2-CB 4.15Å; F770-D772 HydrophobicContact CE2-CB 3.86Å; F770-D772 PolarHBondContact O-N 3.16Å; F770-W779 HydrophobicContact CD1-CD2 4.34Å; F770-W779 AromaticContact CD1-CE3 3.37Å; F770-W779 HydrophobicContact CD1-CE3 3.37Å; F770-W779 AromaticContact CD1-CZ3 3.71Å; F770-W779 HydrophobicContact CD1-CZ3 3.71Å; F770-W779 AromaticContact CE1-CD2 3.7Å; F770-W779 HydrophobicContact CE1-CD2 3.7Å; F770-W779 AromaticContact CE1-CE3 3.06Å; F770-W779 HydrophobicContact CE1-CE3 3.06Å; F770-W779 HydrophobicContact CE1-CG 4.35Å; F770-W779 HydrophobicContact CE1-CH2 4.32Å; F770-W779 AromaticContact CE1-CZ3 3.41Å; F770-W779 HydrophobicContact CE1-CZ3 3.41Å; F770-W779 VanDerWaalsContact CE1-CZ3 3.41Å; F770-W779 HydrophobicContact CE2-CB 4.24Å; F770-W779 HydrophobicContact CG-CE3 4.26Å; F770-W779 HydrophobicContact CZ-CB 4.23Å; F770-W779 AromaticContact CZ-CD2 3.9Å; F770-W779 HydrophobicContact CZ-CD2 3.9Å; F770-W779 AromaticContact CZ-CE3 3.73Å; F770-W779 HydrophobicContact CZ-CE3 3.73Å; F770-W779 HydrophobicContact CZ-CG 4.12Å; F770-W779 HydrophobicContact CZ-CZ3 4.4Å; F770-W779 PolarHBondContact O-N 3.41Å
771	Y	63.6	Low	72.3	Confident	81 Å²	81	58.4 Å²	58.4	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	107.4	164.9	-174.4	-106.7	0	0	0	104.5	E80 E773 R776 W778	E80-Y771 PolarHBondContact OE1-OH 2.93Å; Y771-E773 HydrophobicContact CD1-CG 4.04Å; Y771-E773 PolarHBondContact O-N 3.16Å; Y771-R776 WeakPolarHBondContact CE2-O 3.38Å; Y771-R776 VanDerWaalsContact OH-CA 3.32Å; Y771-R776 WeakPolarHBondContact OH-CA 3.39Å; Y771-R776 WeakPolarHBondContact OH-CB 3.38Å; Y771-R776 PolarHBondContact OH-O 3.32Å; Y771-W778 HydrophobicContact CD2-CD2 4.09Å; Y771-W778 AromaticContact CD2-CE2 3.87Å; Y771-W778 HydrophobicContact CD2-CG 4.27Å; Y771-W778 HydrophobicContact CD2-CZ2 4.33Å; Y771-W778 AromaticContact CD2-NE1 3.86Å
772	D	57	Low	71.9	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	94.8	173.2	-177.8	26	0	0	0	104.2	F770 N774 T775 R776 Q777 W779	F770-D772 VanDerWaalsContact C-N 3.29Å; F770-D772 HydrophobicContact CD2-CB 4.15Å; F770-D772 HydrophobicContact CE2-CB 3.86Å; F770-D772 PolarHBondContact O-N 3.16Å; D772-N774 VanDerWaalsContact CG-CB 3.43Å; D772-N774 CarbonylContact O-C 3.09Å; D772-N774 PolarHBondContact O-N 2.82Å; D772-N774 WeakPolarHBondContact OD1-CA 3.35Å; D772-N774 WeakPolarHBondContact OD1-CB 3.38Å; D772-N774 PolarHBondContact OD1-N 2.9Å; D772-N774 VanDerWaalsContact OD1-N 3.16Å; D772-N774 PolarHBondContact OD1-ND2 3.13Å; D772-N774 WeakPolarHBondContact OD2-CB 3.22Å; D772-T775 WeakPolarHBondContact CB-OG1 3.3Å; D772-T775 VanDerWaalsContact CG-N 3.33Å; D772-T775 PolarHBondContact O-N 2.9Å; D772-T775 WeakPolarHBondContact OD2-CB 3.46Å; D772-T775 VanDerWaalsContact OD2-CG2 3.3Å; D772-T775 WeakPolarHBondContact OD2-CG2 3.25Å; D772-T775 PolarHBondContact OD2-N 2.8Å; D772-T775 PolarHBondContact OD2-OG1 3.24Å; D772-R776 WeakPolarHBondContact O-CA 3.48Å; D772-R776 PolarHBondContact O-N 2.81Å; D772-Q777 WeakPolarHBondContact CB-O 3.28Å; D772-Q777 PolarHBondContact N-O 2.73Å; D772-W779 HydrophobicContact CB-CB 3.66Å
773	E	45.3	Very low	71.8	Confident	119 Å²	119	56.8 Å²	56.8	56%	0.556	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-24.3	170.6	-64	-172.5	169.3	0	0	109.1	E77 Y771	E77-E773 VanDerWaalsContact CD-CB 3.45Å; E77-E773 VanDerWaalsContact CG-C 3.47Å; E77-E773 HydrophobicContact CG-CB 3.89Å; E77-E773 WeakPolarHBondContact OE1-CB 3.35Å; E77-E773 VanDerWaalsContact OE1-OE2 3.06Å; Y771-E773 HydrophobicContact CD1-CG 4.04Å; Y771-E773 PolarHBondContact O-N 3.16Å
774	N	43.3	Very low	71.6	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.08	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-89	165.5	-36.1	-42	0	0	0	114.3	S76 E77 V78 D772 R776	S76-N774 PolarHBondContact N-OD1 3.19Å; S76-N774 WeakPolarHBondContact O-CB 3.45Å; S76-N774 PolarHBondContact O-ND2 2.7Å; S76-N774 PolarHBondContact O-OD1 3.48Å; E77-N774 VanDerWaalsContact CA-CG 3.49Å; E77-N774 WeakPolarHBondContact CA-OD1 3.17Å; E77-N774 HydrophobicContact CB-CB 4.18Å; E77-N774 WeakPolarHBondContact CB-OD1 3.42Å; E77-N774 HydrophobicContact CG-CB 4.25Å; E77-N774 WeakPolarHBondContact CG-OD1 3.37Å; E77-N774 PolarHBondContact N-OD1 2.6Å; V78-N774 CarbonylContact C-O 3.55Å; V78-N774 WeakPolarHBondContact CA-O 3.39Å; V78-N774 WeakPolarHBondContact CB-O 3.4Å; V78-N774 PolarHBondContact N-O 3.44Å; D772-N774 VanDerWaalsContact CG-CB 3.43Å; D772-N774 CarbonylContact O-C 3.09Å; D772-N774 PolarHBondContact O-N 2.82Å; D772-N774 WeakPolarHBondContact OD1-CA 3.35Å; D772-N774 WeakPolarHBondContact OD1-CB 3.38Å; D772-N774 PolarHBondContact OD1-N 2.9Å; D772-N774 VanDerWaalsContact OD1-N 3.16Å; D772-N774 PolarHBondContact OD1-ND2 3.13Å; D772-N774 WeakPolarHBondContact OD2-CB 3.22Å; N774-R776 PolarHBondContact O-N 3.47Å
775	T	47.6	Very low	71.5	Confident	48 Å²	48	54.3 Å²	54.3	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-5.8	-173.2	50.6	0	0	0	0	114.4	V78 D772 Q777	V78-T775 HydrophobicContact CG2-CG2 3.75Å; D772-T775 WeakPolarHBondContact CB-OG1 3.3Å; D772-T775 VanDerWaalsContact CG-N 3.33Å; D772-T775 PolarHBondContact O-N 2.9Å; D772-T775 WeakPolarHBondContact OD2-CB 3.46Å; D772-T775 VanDerWaalsContact OD2-CG2 3.3Å; D772-T775 WeakPolarHBondContact OD2-CG2 3.25Å; D772-T775 PolarHBondContact OD2-N 2.8Å; D772-T775 PolarHBondContact OD2-OG1 3.24Å; T775-Q777 WeakPolarHBondContact O-CG 3.49Å; T775-Q777 PolarHBondContact O-N 2.84Å
776	R	41	Very low	71.7	Confident	96 Å²	96	54.3 Å²	54.3	36%	0.362	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	22.8	-171.1	-58.3	-112	-139	133.7	-0.9	111.2	V78 E80 Y771 D772 N774	V78-R776 WeakPolarHBondContact O-CG 3.39Å; E80-R776 HydrophobicContact CB-CG 4.38Å; E80-R776 VanDerWaalsContact CB-NH1 3.3Å; E80-R776 HydrophobicContact CG-CB 3.47Å; E80-R776 VanDerWaalsContact CG-CB 3.47Å; E80-R776 VanDerWaalsContact CG-CD 3.5Å; E80-R776 HydrophobicContact CG-CG 3.57Å; E80-R776 VanDerWaalsContact OE1-CD 3.22Å; E80-R776 WeakPolarHBondContact OE1-CD 3.47Å; E80-R776 IonicContact OE1-CZ 3.18Å; E80-R776 IonicContact OE1-NE 3.1Å; E80-R776 IonicContact OE1-NH1 3.93Å; E80-R776 PolarHBondContact OE1-NH1 2.94Å; E80-R776 IonicContact OE2-CZ 3.69Å; E80-R776 IonicContact OE2-NH1 3.14Å; E80-R776 PolarHBondContact OE2-NH1 3.43Å; Y771-R776 WeakPolarHBondContact CE2-O 3.38Å; Y771-R776 VanDerWaalsContact OH-CA 3.32Å; Y771-R776 WeakPolarHBondContact OH-CA 3.39Å; Y771-R776 WeakPolarHBondContact OH-CB 3.38Å; Y771-R776 PolarHBondContact OH-O 3.32Å; D772-R776 WeakPolarHBondContact O-CA 3.48Å; D772-R776 PolarHBondContact O-N 2.81Å; N774-R776 PolarHBondContact O-N 3.47Å
777	Q	58.4	Low	71.9	Confident	126 Å²	126	48.8 Å²	48.8	59%	0.589	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.6	174	-70.4	176	1.6	0	0	105	D772 T775 W779	D772-Q777 WeakPolarHBondContact CB-O 3.28Å; D772-Q777 PolarHBondContact N-O 2.73Å; T775-Q777 WeakPolarHBondContact O-CG 3.49Å; T775-Q777 PolarHBondContact O-N 2.84Å; Q777-W779 VanDerWaalsContact C-N 3.34Å; Q777-W779 PolarHBondContact O-N 3.31Å
778	W	66	Low	72.4	Confident	141 Å²	141	44.2 Å²	44.2	53%	0.534	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	107.5	162.1	-72.2	90.3	0	0	0	106.1	K769 Y771 M780	K769-W778 HydrophobicContact CB-CE3 4.39Å; K769-W778 HydrophobicContact CD-CB 4.48Å; K769-W778 HydrophobicContact CD-CD2 4.35Å; K769-W778 HydrophobicContact CD-CE3 3.85Å; K769-W778 HydrophobicContact CD-CZ3 4.48Å; K769-W778 HydrophobicContact CG-CE3 3.75Å; K769-W778 HydrophobicContact CG-CZ3 4.15Å; Y771-W778 HydrophobicContact CD2-CD2 4.09Å; Y771-W778 AromaticContact CD2-CE2 3.87Å; Y771-W778 HydrophobicContact CD2-CG 4.27Å; Y771-W778 HydrophobicContact CD2-CZ2 4.33Å; Y771-W778 AromaticContact CD2-NE1 3.86Å; W778-M780 PolarHBondContact O-N 2.88Å
779	W	77.1	Confident	73	Confident	19 Å²	19	42.9 Å²	42.9	7%	0.072	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.6	166.6	169.8	86.1	0	0	0	106.2	Y670 P672 L683 K769 F770 D772 Q777 P781	Y670-W779 VanDerWaalsContact O-CE2 3.29Å; Y670-W779 WeakPolarHBondContact O-CZ2 3.42Å; Y670-W779 PolarHBondContact O-NE1 2.93Å; P672-W779 HydrophobicContact CB-CH2 4.22Å; L683-W779 HydrophobicContact CD2-CH2 4.12Å; L683-W779 HydrophobicContact CD2-CZ2 3.96Å; K769-W779 VanDerWaalsContact CA-O 3.24Å; K769-W779 WeakPolarHBondContact CA-O 3.29Å; K769-W779 WeakPolarHBondContact CB-O 3.47Å; F770-W779 HydrophobicContact CD1-CD2 4.34Å; F770-W779 AromaticContact CD1-CE3 3.37Å; F770-W779 HydrophobicContact CD1-CE3 3.37Å; F770-W779 AromaticContact CD1-CZ3 3.71Å; F770-W779 HydrophobicContact CD1-CZ3 3.71Å; F770-W779 AromaticContact CE1-CD2 3.7Å; F770-W779 HydrophobicContact CE1-CD2 3.7Å; F770-W779 AromaticContact CE1-CE3 3.06Å; F770-W779 HydrophobicContact CE1-CE3 3.06Å; F770-W779 HydrophobicContact CE1-CG 4.35Å; F770-W779 HydrophobicContact CE1-CH2 4.32Å; F770-W779 AromaticContact CE1-CZ3 3.41Å; F770-W779 HydrophobicContact CE1-CZ3 3.41Å; F770-W779 VanDerWaalsContact CE1-CZ3 3.41Å; F770-W779 HydrophobicContact CE2-CB 4.24Å; F770-W779 HydrophobicContact CG-CE3 4.26Å; F770-W779 HydrophobicContact CZ-CB 4.23Å; F770-W779 AromaticContact CZ-CD2 3.9Å; F770-W779 HydrophobicContact CZ-CD2 3.9Å; F770-W779 AromaticContact CZ-CE3 3.73Å; F770-W779 HydrophobicContact CZ-CE3 3.73Å; F770-W779 HydrophobicContact CZ-CG 4.12Å; F770-W779 HydrophobicContact CZ-CZ3 4.4Å; F770-W779 PolarHBondContact O-N 3.41Å; D772-W779 HydrophobicContact CB-CB 3.66Å; Q777-W779 VanDerWaalsContact C-N 3.34Å; Q777-W779 PolarHBondContact O-N 3.31Å; W779-P781 HydrophobicContact CH2-CB 3.6Å; W779-P781 HydrophobicContact CH2-CG 3.94Å; W779-P781 HydrophobicContact CZ2-CB 3.63Å; W779-P781 HydrophobicContact CZ2-CG 4.36Å; W779-P781 HydrophobicContact CZ3-CB 4.5Å; W779-P781 HydrophobicContact CZ3-CG 4.42Å
780	M	77.6	Confident	73.7	Confident	83 Å²	83	39 Å²	39	41%	0.409	17%	0.174	S	C	.	.			trans	-125.8	138.9	172.3	-64.4	-169.9	-60.8	0	0	106.6	K769 W778 D782	K769-M780 HydrophobicContact CB-CG 3.79Å; K769-M780 HydrophobicContact CD-CG 4.23Å; K769-M780 HydrophobicContact CD-SD 4.24Å; W778-M780 PolarHBondContact O-N 2.88Å; M780-D782 PolarHBondContact O-N 2.92Å
781	P	81.8	Confident	74.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.161	C	C	.	.			trans	-63.2	129.6	177.5	23.2	-30.2	0	0	0	110.3	P672 M765 W779 T783	P672-P781 HydrophobicContact CB-CB 4.44Å; P672-P781 HydrophobicContact CG-CB 3.86Å; M765-P781 HydrophobicContact CB-CG 3.67Å; M765-P781 HydrophobicContact CE-CB 4.23Å; M765-P781 HydrophobicContact CE-CG 4.2Å; M765-P781 WeakPolarHBondContact CE-O 3.06Å; M765-P781 HydrophobicContact CG-CG 3.83Å; M765-P781 WeakPolarHBondContact O-CD 3.01Å; W779-P781 HydrophobicContact CH2-CB 3.6Å; W779-P781 HydrophobicContact CH2-CG 3.94Å; W779-P781 HydrophobicContact CZ2-CB 3.63Å; W779-P781 HydrophobicContact CZ2-CG 4.36Å; W779-P781 HydrophobicContact CZ3-CB 4.5Å; W779-P781 HydrophobicContact CZ3-CG 4.42Å; P781-T783 VanDerWaalsContact C-N 3.34Å; P781-T783 VanDerWaalsContact CB-O 3.28Å; P781-T783 WeakPolarHBondContact CB-O 3.38Å
782	D	84.3	Confident	76.2	Confident	15 Å²	15	32.7 Å²	32.7	8%	0.08	15%	0.149	C	C	.	.	S	Bend	trans	-75.6	-24.9	173.2	-75.3	-45.9	0	0	0	111.1	F671 M780 N936 H937 L938 Y941	F671-D782 HydrophobicContact CE1-CB 4.38Å; M780-D782 PolarHBondContact O-N 2.92Å; D782-N936 WeakPolarHBondContact CA-OD1 3.38Å; D782-N936 WeakPolarHBondContact CB-OD1 3.04Å; D782-N936 PolarHBondContact O-ND2 2.92Å; D782-N936 PolarHBondContact O-OD1 2.9Å; D782-N936 PolarHBondContact OD1-OD1 3.37Å; D782-H937 PolarHBondContact OD1-N 3.05Å; D782-L938 HydrophobicContact CB-CB 4.49Å; D782-L938 HydrophobicContact CB-CD1 4.39Å; D782-Y941 WeakPolarHBondContact OD2-CE2 3.46Å
783	T	87.8	Confident	78	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-140.1	165.2	168.2	-174.7	0	0	0	0	110.9	F671 P672 E732 P781 A786 N787	F671-T783 HydrophobicContact CD1-CG2 3.36Å; F671-T783 HydrophobicContact CE1-CG2 3.62Å; F671-T783 HydrophobicContact CG-CG2 4.18Å; P672-T783 VanDerWaalsContact CD-O 3.24Å; P672-T783 WeakPolarHBondContact CD-O 3.4Å; P672-T783 VanDerWaalsContact CG-O 3.3Å; P672-T783 WeakPolarHBondContact CG-O 3.18Å; E732-T783 HydrophobicContact CB-CG2 4.17Å; P781-T783 VanDerWaalsContact C-N 3.34Å; P781-T783 VanDerWaalsContact CB-O 3.28Å; P781-T783 WeakPolarHBondContact CB-O 3.38Å; T783-A786 PolarHBondContact OG1-O 3.5Å; T783-N787 WeakPolarHBondContact OG1-CA 3.37Å; T783-N787 PolarHBondContact OG1-N 3.03Å
784	G	88.1	Confident	80.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.			trans	-68.7	-152.4	170.8	0	0	0	0	0	111.9	P672 W759	P672-G784 WeakPolarHBondContact CG-O 3.31Å; W759-G784 CarbonylContact O-C 3.46Å; W759-G784 WeakPolarHBondContact O-CA 3.33Å
785	G	87.3	Confident	82.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	-58.7	-53.7	166.1	0	0	0	0	0	109.3	D730 W759	D730-G785 VanDerWaalsContact OD1-C 3.22Å; W759-G785 PolarHBondContact O-N 2.04Å
786	A	91.1	Very high	85	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-113.9	158.1	170.8	0	0	0	0	0	112.1	D758 Y760 T783 V788 L791	D758-A786 HydrophobicContact CB-CB 4.12Å; Y760-A786 WeakPolarHBondContact CD2-O 3.19Å; T783-A786 PolarHBondContact OG1-O 3.5Å; A786-V788 VanDerWaalsContact C-N 3.27Å; A786-V788 HydrophobicContact CB-CG2 4.47Å; A786-V788 PolarHBondContact O-N 2.94Å; A786-L791 HydrophobicContact CB-CD1 4.43Å
787	N	93.1	Very high	87.4	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.142	C	C	.	.			trans	-80.8	72.4	170.3	-170.2	-8.4	0	0	0	111.1	S731 E732 E734 T783 P789 A790 L791	S731-N787 PolarHBondContact O-N 2.78Å; E732-N787 VanDerWaalsContact O-CB 3.31Å; E732-N787 WeakPolarHBondContact O-CB 3.5Å; E732-N787 PolarHBondContact O-ND2 3.41Å; E734-N787 PolarHBondContact OE1-ND2 3.27Å; T783-N787 WeakPolarHBondContact OG1-CA 3.37Å; T783-N787 PolarHBondContact OG1-N 3.03Å; N787-P789 WeakPolarHBondContact OD1-CD 3.24Å; N787-A790 HydrophobicContact CB-CB 4.16Å; N787-A790 VanDerWaalsContact CG-CB 3.45Å; N787-A790 WeakPolarHBondContact O-CB 3.3Å; N787-A790 PolarHBondContact O-N 3.12Å; N787-A790 VanDerWaalsContact O-N 3.12Å; N787-A790 WeakPolarHBondContact OD1-CB 3.37Å; N787-A790 PolarHBondContact OD1-N 2.91Å; N787-L791 PolarHBondContact O-N 3.06Å
788	V	94.9	Very high	89	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-39.3	-177.9	-176.9	0	0	0	0	113.6	D758 Y760 A786 A790 L791 N792 F802 P930	D758-V788 VanDerWaalsContact O-CG2 3.24Å; D758-V788 WeakPolarHBondContact O-CG2 3.33Å; Y760-V788 VanDerWaalsContact CB-CG2 3.44Å; Y760-V788 HydrophobicContact CG-CB 4.24Å; A786-V788 VanDerWaalsContact C-N 3.27Å; A786-V788 HydrophobicContact CB-CG2 4.47Å; A786-V788 PolarHBondContact O-N 2.94Å; V788-A790 VanDerWaalsContact C-N 3.33Å; V788-A790 PolarHBondContact O-N 2.82Å; V788-L791 PolarHBondContact O-N 3.18Å; V788-N792 WeakPolarHBondContact O-CB 3.3Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3Å; V788-F802 HydrophobicContact CG1-CB 3.48Å; V788-F802 VanDerWaalsContact CG1-CB 3.48Å; V788-F802 HydrophobicContact CG1-CD2 4.37Å; V788-F802 HydrophobicContact CG1-CG 4.31Å; V788-P930 HydrophobicContact CB-CG 4.32Å; V788-P930 HydrophobicContact CG1-CG 3.74Å
789	P	94.4	Very high	90.2	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.032	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-42.5	173.3	-26.4	35.3	0	0	0	113.3	Y760 N787 N792 D793 P930 R932	Y760-P789 HydrophobicContact CD1-CG 3.84Å; Y760-P789 HydrophobicContact CD2-CG 4.32Å; Y760-P789 HydrophobicContact CE1-CG 3.57Å; Y760-P789 HydrophobicContact CE2-CG 4.06Å; Y760-P789 HydrophobicContact CG-CG 4.23Å; N787-P789 WeakPolarHBondContact OD1-CD 3.24Å; P789-N792 WeakPolarHBondContact O-CB 2.86Å; P789-N792 PolarHBondContact O-N 3.43Å; P789-D793 PolarHBondContact O-N 2.99Å; P789-P930 HydrophobicContact CG-CB 4.23Å; P789-R932 HydrophobicContact CB-CG 3.84Å; P789-R932 HydrophobicContact CG-CG 4.33Å
790	A	94.1	Very high	91	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-66.4	-42.8	176.3	0	0	0	0	0	112	E734 Y735 N787 V788 N792 D793 L794	E734-A790 VanDerWaalsContact OE2-CB 3.28Å; E734-A790 WeakPolarHBondContact OE2-CB 3.36Å; Y735-A790 HydrophobicContact CD2-CB 4.08Å; Y735-A790 HydrophobicContact CE2-CB 4.15Å; N787-A790 HydrophobicContact CB-CB 4.16Å; N787-A790 VanDerWaalsContact CG-CB 3.45Å; N787-A790 WeakPolarHBondContact O-CB 3.3Å; N787-A790 PolarHBondContact O-N 3.12Å; N787-A790 VanDerWaalsContact O-N 3.12Å; N787-A790 WeakPolarHBondContact OD1-CB 3.37Å; N787-A790 PolarHBondContact OD1-N 2.91Å; V788-A790 VanDerWaalsContact C-N 3.33Å; V788-A790 PolarHBondContact O-N 2.82Å; A790-N792 VanDerWaalsContact C-N 3.3Å; A790-N792 PolarHBondContact O-N 2.89Å; A790-D793 PolarHBondContact O-N 3.37Å; A790-L794 PolarHBondContact O-N 3.02Å; A790-L794 VanDerWaalsContact O-N 3.09Å
791	L	95.2	Very high	91.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-41.7	172.6	-79.7	172.4	0	0	0	112	M728 S731 Y735 I755 A786 N787 V788 L794 I795	M728-L791 HydrophobicContact CE-CD2 4.22Å; S731-L791 WeakPolarHBondContact OG-CD1 3.34Å; S731-L791 VanDerWaalsContact OG-CD2 3.24Å; S731-L791 WeakPolarHBondContact OG-CD2 3.48Å; S731-L791 VanDerWaalsContact OG-CG 3.29Å; S731-L791 WeakPolarHBondContact OG-CG 2.93Å; Y735-L791 HydrophobicContact CE2-CD2 4.22Å; Y735-L791 WeakPolarHBondContact OH-CD2 3.48Å; I755-L791 HydrophobicContact CG2-CD1 4.39Å; I755-L791 HydrophobicContact CG2-CD2 4.23Å; A786-L791 HydrophobicContact CB-CD1 4.43Å; N787-L791 PolarHBondContact O-N 3.06Å; V788-L791 PolarHBondContact O-N 3.18Å; L791-L794 WeakPolarHBondContact O-CB 3.25Å; L791-L794 PolarHBondContact O-N 3.06Å; L791-I795 WeakPolarHBondContact O-CG1 3.31Å; L791-I795 PolarHBondContact O-N 3.27Å
792	N	95.4	Very high	92.5	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.053	9%	0.094	C	C	.	.	H	α-helix	trans	-63.3	-40.8	176.8	-80.4	-12.1	0	0	0	111.9	V788 P789 A790 L794 I795 S796 A801 F802 P930	V788-N792 WeakPolarHBondContact O-CB 3.3Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3Å; P789-N792 WeakPolarHBondContact O-CB 2.86Å; P789-N792 PolarHBondContact O-N 3.43Å; A790-N792 VanDerWaalsContact C-N 3.3Å; A790-N792 PolarHBondContact O-N 2.89Å; N792-L794 VanDerWaalsContact C-N 3.3Å; N792-L794 PolarHBondContact O-N 3.46Å; N792-I795 PolarHBondContact O-N 3.28Å; N792-S796 WeakPolarHBondContact O-CA 3.5Å; N792-S796 WeakPolarHBondContact O-CB 3.28Å; N792-S796 PolarHBondContact O-N 3.11Å; N792-A801 WeakPolarHBondContact OD1-CA 3.18Å; N792-F802 PolarHBondContact ND2-O 2.96Å; N792-F802 PolarHBondContact OD1-N 2.78Å; N792-P930 WeakPolarHBondContact ND2-CG 3.19Å
793	D	94.3	Very high	92.9	Very high	74 Å²	74	13.9 Å²	13.9	40%	0.396	9%	0.09	S	C	.	.	H	α-helix	trans	-60.9	-41.6	174.5	-70.8	-22.7	0	0	0	111	P789 A790 S796 R932	P789-D793 PolarHBondContact O-N 2.99Å; A790-D793 PolarHBondContact O-N 3.37Å; D793-S796 PolarHBondContact O-OG 3.39Å; D793-R932 IonicContact OD2-CZ 3.22Å; D793-R932 VanDerWaalsContact OD2-CZ 3.22Å; D793-R932 IonicContact OD2-NH1 2.81Å; D793-R932 PolarHBondContact OD2-NH1 2.93Å; D793-R932 IonicContact OD2-NH2 3.01Å; D793-R932 PolarHBondContact OD2-NH2 2.7Å
794	L	94.8	Very high	93.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-47.3	175.8	-177	68.7	0	0	0	112.7	M728 Y735 I740 L743 A790 L791 N792	M728-L794 HydrophobicContact CE-CD2 3.69Å; M728-L794 HydrophobicContact SD-CD2 4.15Å; Y735-L794 HydrophobicContact CD1-CD1 4.37Å; Y735-L794 HydrophobicContact CD1-CD2 4.17Å; Y735-L794 HydrophobicContact CD2-CB 4.12Å; Y735-L794 HydrophobicContact CD2-CD2 4.39Å; Y735-L794 HydrophobicContact CE1-CD2 3.88Å; Y735-L794 HydrophobicContact CE2-CB 4.39Å; Y735-L794 HydrophobicContact CE2-CD2 4.15Å; Y735-L794 HydrophobicContact CG-CB 4.46Å; Y735-L794 HydrophobicContact CG-CD1 4.35Å; Y735-L794 HydrophobicContact CG-CD2 4.42Å; I740-L794 HydrophobicContact CB-CD1 4.32Å; I740-L794 HydrophobicContact CG1-CD1 3.84Å; L743-L794 HydrophobicContact CD2-CD1 3.74Å; L743-L794 HydrophobicContact CD2-CD2 3.95Å; L743-L794 HydrophobicContact CD2-CG 3.96Å; A790-L794 PolarHBondContact O-N 3.02Å; A790-L794 VanDerWaalsContact O-N 3.09Å; L791-L794 WeakPolarHBondContact O-CB 3.25Å; L791-L794 PolarHBondContact O-N 3.06Å; N792-L794 VanDerWaalsContact C-N 3.3Å; N792-L794 PolarHBondContact O-N 3.46Å
795	I	94.7	Very high	93.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-91	-8.3	-174	71.3	-176.5	0	0	0	114.8	I755 L791 N792 V797 W798 M800 F802 L876	I755-I795 HydrophobicContact CD1-CG2 3.57Å; L791-I795 WeakPolarHBondContact O-CG1 3.31Å; L791-I795 PolarHBondContact O-N 3.27Å; N792-I795 PolarHBondContact O-N 3.28Å; I795-V797 PolarHBondContact O-N 3.04Å; I795-W798 HydrophobicContact CB-CE3 4.19Å; I795-W798 HydrophobicContact CB-CZ3 4.41Å; I795-W798 HydrophobicContact CG2-CZ3 4.36Å; I795-W798 PolarHBondContact O-N 3.29Å; I795-M800 HydrophobicContact CB-CB 4.21Å; I795-M800 HydrophobicContact CD1-CB 3.99Å; I795-M800 HydrophobicContact CG1-CB 3.98Å; I795-F802 HydrophobicContact CD1-CD2 4.02Å; I795-F802 HydrophobicContact CD1-CE2 3.98Å; I795-L876 HydrophobicContact CD1-CD1 3.99Å; I795-L876 HydrophobicContact CD1-CD2 4.43Å
796	S	92.8	Very high	93.3	Very high	65 Å²	65	16.7 Å²	16.7	46%	0.455	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-54.1	-29	179.2	64.1	0	0	0	0	113.3	N792 D793 W798 G799	N792-S796 WeakPolarHBondContact O-CA 3.5Å; N792-S796 WeakPolarHBondContact O-CB 3.28Å; N792-S796 PolarHBondContact O-N 3.11Å; D793-S796 PolarHBondContact O-OG 3.39Å; S796-W798 PolarHBondContact O-N 2.99Å; S796-G799 PolarHBondContact O-N 2.82Å
797	V	91.9	Very high	93.5	Very high	53 Å²	53	17.5 Å²	17.5	32%	0.321	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.4	179.4	-177.4	0	0	0	0	112.7	I740 R744 I795	I740-V797 HydrophobicContact CG2-CG2 3.65Å; R744-V797 HydrophobicContact CB-CG1 4.48Å; R744-V797 HydrophobicContact CG-CG1 3.93Å; I795-V797 PolarHBondContact O-N 3.04Å
798	W	91.6	Very high	93.5	Very high	28 Å²	28	17.4 Å²	17.4	11%	0.106	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-97.1	10.8	176.3	-59.1	-79.9	0	0	0	113.2	L743 R744 I747 I795 S796 M800 P830 I874	L743-W798 HydrophobicContact CD2-CH2 4.24Å; L743-W798 HydrophobicContact CG-CH2 4.18Å; R744-W798 HydrophobicContact CB-CZ2 4.38Å; I747-W798 HydrophobicContact CB-CZ2 4.19Å; I747-W798 HydrophobicContact CD1-CH2 3.53Å; I747-W798 HydrophobicContact CD1-CZ2 3.41Å; I747-W798 VanDerWaalsContact CD1-CZ2 3.41Å; I747-W798 HydrophobicContact CG1-CZ2 4.33Å; I747-W798 HydrophobicContact CG2-CZ2 4.42Å; I795-W798 HydrophobicContact CB-CE3 4.19Å; I795-W798 HydrophobicContact CB-CZ3 4.41Å; I795-W798 HydrophobicContact CG2-CZ3 4.36Å; I795-W798 PolarHBondContact O-N 3.29Å; S796-W798 PolarHBondContact O-N 2.99Å; W798-M800 HydrophobicContact CB-CE 3.93Å; W798-M800 HydrophobicContact CB-CG 4.16Å; W798-M800 HydrophobicContact CB-SD 4.14Å; W798-M800 PolarHBondContact O-N 3.35Å; W798-P830 VanDerWaalsContact O-CG 3.24Å; W798-P830 WeakPolarHBondContact O-CG 3.32Å; W798-I874 HydrophobicContact CB-CD1 4.49Å; W798-I874 HydrophobicContact CD2-CD1 3.55Å; W798-I874 HydrophobicContact CE3-CD1 3.98Å; W798-I874 HydrophobicContact CG-CD1 3.77Å; W798-I874 HydrophobicContact CZ2-CD1 4.21Å; W798-I874 HydrophobicContact CZ3-CD1 4.49Å
799	G	91.3	Very high	93.4	Very high	44 Å²	44	17.8 Å²	17.8	45%	0.454	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	25.3	-175	0	0	0	0	0	113.3	S796	S796-G799 PolarHBondContact O-N 2.82Å
800	M	94.4	Very high	93.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	14%	0.139	C	C	.	.			trans	-102.9	148.7	178	-62.8	175.4	-171.4	0	0	110.6	I795 W798 R828 F829 P830 Y864 I874 L876	I795-M800 HydrophobicContact CB-CB 4.21Å; I795-M800 HydrophobicContact CD1-CB 3.99Å; I795-M800 HydrophobicContact CG1-CB 3.98Å; W798-M800 HydrophobicContact CB-CE 3.93Å; W798-M800 HydrophobicContact CB-CG 4.16Å; W798-M800 HydrophobicContact CB-SD 4.14Å; W798-M800 PolarHBondContact O-N 3.35Å; M800-R828 WeakPolarHBondContact CA-O 3.21Å; M800-F829 HydrophobicContact CE-CE2 3.98Å; M800-F829 HydrophobicContact CE-CZ 4.21Å; M800-F829 HydrophobicContact CG-CD2 3.97Å; M800-F829 HydrophobicContact CG-CE2 4.1Å; M800-F829 HydrophobicContact SD-CD2 4.39Å; M800-F829 HydrophobicContact SD-CE2 3.91Å; M800-P830 HydrophobicContact CE-CG 3.93Å; M800-P830 HydrophobicContact CG-CG 4.32Å; M800-Y864 HydrophobicContact CE-CD1 3.24Å; M800-Y864 HydrophobicContact CE-CD2 4.17Å; M800-Y864 HydrophobicContact CE-CE1 4.03Å; M800-Y864 HydrophobicContact CE-CG 3.31Å; M800-I874 HydrophobicContact CE-CB 4.28Å; M800-I874 HydrophobicContact CE-CD1 4.17Å; M800-I874 HydrophobicContact CE-CG2 4.35Å; M800-I874 HydrophobicContact SD-CD1 4.42Å; M800-I874 HydrophobicContact SD-CG2 3.95Å; M800-L876 HydrophobicContact CB-CD1 4.09Å; M800-L876 HydrophobicContact CG-CD1 4.35Å; M800-L876 HydrophobicContact SD-CD1 3.91Å; M800-L876 HydrophobicContact SD-CG 4.43Å
801	A	95.3	Very high	93.2	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.033	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	144.8	168.7	0	0	0	0	0	110.9	N792 A827 R828 L929	N792-A801 WeakPolarHBondContact OD1-CA 3.18Å; A801-A827 PolarHBondContact O-N 2.95Å; A801-R828 HydrophobicContact CB-CB 3.96Å; A801-R828 HydrophobicContact CB-CG 4.32Å; A801-R828 PolarHBondContact N-O 2.84Å; A801-R828 PolarHBondContact O-N 3.37Å; A801-L929 HydrophobicContact CB-CD1 4.42Å; A801-L929 HydrophobicContact CB-CD2 3.52Å
802	F	95.4	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	153.9	164	-65.2	-73.4	0	0	0	111.2	I755 V788 N792 I795 C824 S825 I826 L876 P930	I755-F802 HydrophobicContact CG2-CE2 4.2Å; I755-F802 HydrophobicContact CG2-CZ 4.34Å; V788-F802 HydrophobicContact CG1-CB 3.48Å; V788-F802 VanDerWaalsContact CG1-CB 3.48Å; V788-F802 HydrophobicContact CG1-CD2 4.37Å; V788-F802 HydrophobicContact CG1-CG 4.31Å; N792-F802 PolarHBondContact ND2-O 2.96Å; N792-F802 PolarHBondContact OD1-N 2.78Å; I795-F802 HydrophobicContact CD1-CD2 4.02Å; I795-F802 HydrophobicContact CD1-CE2 3.98Å; F802-C824 VanDerWaalsContact CD1-SG 3.56Å; F802-S825 CarbonylContact C-O 3.31Å; F802-S825 WeakPolarHBondContact CA-O 3.33Å; F802-I826 HydrophobicContact CD1-CG1 4.2Å; F802-I826 HydrophobicContact CE1-CG1 4.16Å; F802-L876 HydrophobicContact CE1-CB 4.11Å; F802-L876 HydrophobicContact CE2-CD2 4.43Å; F802-L876 HydrophobicContact CZ-CB 3.82Å; F802-L876 HydrophobicContact CZ-CD1 4.25Å; F802-L876 HydrophobicContact CZ-CD2 4.16Å; F802-L876 HydrophobicContact CZ-CG 4.3Å; F802-P930 VanDerWaalsContact O-CD 3.3Å; F802-P930 WeakPolarHBondContact O-CD 3.08Å
803	S	93.1	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	172.8	177.3	76.7	0	0	0	0	111.8	G805 S825	S803-G805 VanDerWaalsContact C-N 3.29Å; S803-G805 PolarHBondContact OG-N 3.01Å; S803-S825 WeakPolarHBondContact CB-OG 3.42Å; S803-S825 PolarHBondContact N-O 3.02Å; S803-S825 PolarHBondContact OG-N 2.56Å; S803-S825 PolarHBondContact OG-O 3.14Å; S803-S825 PolarHBondContact OG-OG 2.83Å
804	D	91.1	Very high	92	Very high	48 Å²	48	24.3 Å²	24.3	26%	0.257	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	2.3	166.8	70.3	-22.6	0	0	0	113	N761 P930	N761-D804 PolarHBondContact ND2-O 2.72Å; D804-P930 HydrophobicContact CB-CB 4Å
805	G	89.4	Confident	91.5	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.2	-178.2	0	0	0	0	0	111.3	S803 Y807 C824	S803-G805 VanDerWaalsContact C-N 3.29Å; S803-G805 PolarHBondContact OG-N 3.01Å; G805-Y807 VanDerWaalsContact C-CE2 3.47Å; G805-C824 VanDerWaalsContact O-CA 3.3Å; G805-C824 WeakPolarHBondContact O-CA 3.26Å
806	L	91.8	Very high	91.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.7	-176.6	173.6	71.1	0	0	0	109.7	L676 W759 V764 S822 Q843 G844	L676-L806 HydrophobicContact CD1-CD1 3.97Å; L676-L806 HydrophobicContact CD1-CD2 3.35Å; L676-L806 HydrophobicContact CD1-CG 4.3Å; W759-L806 HydrophobicContact CB-CD1 3.33Å; W759-L806 HydrophobicContact CD2-CD1 4.4Å; W759-L806 HydrophobicContact CG-CD1 3.77Å; V764-L806 HydrophobicContact CG1-CD2 4.27Å; V764-L806 HydrophobicContact CG2-CD2 4.07Å; L806-S822 VanDerWaalsContact CD1-O 3.28Å; L806-S822 WeakPolarHBondContact CD1-O 3.49Å; L806-Q843 HydrophobicContact CD2-CB 4.25Å; L806-Q843 HydrophobicContact CD2-CG 4.39Å; L806-Q843 HydrophobicContact CG-CB 4.11Å; L806-Q843 PolarHBondContact O-N 3.39Å; L806-G844 PolarHBondContact O-N 2.82Å
807	Y	93.7	Very high	91.1	Very high	16 Å²	16	38.6 Å²	38.6	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.3	-170.6	-56.7	-79.3	0	0	0	113.5	G805 Y820 S822 G823 S825 L840 K841 V855 V858	G805-Y807 VanDerWaalsContact C-CE2 3.47Å; Y807-Y820 WeakPolarHBondContact O-CD1 3.11Å; Y807-S822 CarbonylContact O-C 3.52Å; Y807-S822 WeakPolarHBondContact O-CA 3.22Å; Y807-S822 PolarHBondContact O-N 2.78Å; Y807-G823 PolarHBondContact N-O 2.88Å; Y807-G823 PolarHBondContact O-N 2.69Å; Y807-G823 VanDerWaalsContact O-N 3.1Å; Y807-S825 WeakPolarHBondContact CE2-OG 3.32Å; Y807-L840 HydrophobicContact CD1-CB 4.5Å; Y807-K841 CarbonylContact C-O 3.49Å; Y807-K841 VanDerWaalsContact CA-O 3.28Å; Y807-K841 WeakPolarHBondContact CA-O 3.35Å; Y807-V855 HydrophobicContact CE1-CB 4.14Å; Y807-V855 HydrophobicContact CE1-CG1 4.38Å; Y807-V855 HydrophobicContact CE1-CG2 4.14Å; Y807-V858 HydrophobicContact CD1-CG1 4.09Å; Y807-V858 HydrophobicContact CD1-CG2 3.79Å; Y807-V858 HydrophobicContact CD2-CG1 3.52Å; Y807-V858 HydrophobicContact CE1-CG1 4.18Å; Y807-V858 HydrophobicContact CE1-CG2 3.71Å; Y807-V858 HydrophobicContact CE2-CG1 3.62Å; Y807-V858 HydrophobicContact CG-CG1 3.75Å; Y807-V858 HydrophobicContact CG-CG2 4.28Å
808	E	93.3	Very high	91.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	145.3	-179.5	178.7	171.9	-136	0	0	112.6	R677 Y819 Y820 K841 Q843	R677-E808 WeakPolarHBondContact CD-OE1 3.36Å; R677-E808 VanDerWaalsContact CG-OE1 3.25Å; R677-E808 WeakPolarHBondContact CG-OE1 3.37Å; R677-E808 IonicContact CZ-OE1 2.76Å; R677-E808 IonicContact CZ-OE2 2.85Å; R677-E808 IonicContact NE-OE1 3.56Å; R677-E808 PolarHBondContact NE-OE1 2.87Å; R677-E808 IonicContact NE-OE2 3.93Å; R677-E808 PolarHBondContact NE-OE2 3.1Å; R677-E808 IonicContact NH2-OE1 2.57Å; R677-E808 IonicContact NH2-OE2 3.79Å; R677-E808 PolarHBondContact NH2-OE2 3.23Å; E808-Y819 HydrophobicContact CG-CE1 4.49Å; E808-Y819 HydrophobicContact CG-CE2 4.49Å; E808-Y819 WeakPolarHBondContact CG-OH 3.28Å; E808-Y819 PolarHBondContact OE1-OH 3.01Å; E808-Y820 VanDerWaalsContact CA-O 3.28Å; E808-Y820 WeakPolarHBondContact CA-O 3.31Å; E808-Y820 WeakPolarHBondContact CG-O 3.48Å; E808-K841 PolarHBondContact N-O 3.07Å; E808-K841 WeakPolarHBondContact O-CA 3.35Å; E808-K841 VanDerWaalsContact O-CB 3.31Å; E808-K841 WeakPolarHBondContact O-CB 3.5Å; E808-K841 PolarHBondContact O-N 2.93Å; E808-Q843 HydrophobicContact CB-CB 4.02Å; E808-Q843 HydrophobicContact CB-CG 4.46Å; E808-Q843 PolarHBondContact OE1-NE2 3.21Å; E808-Q843 PolarHBondContact OE2-NE2 3.2Å
809	G	92.6	Very high	91.1	Very high	9 Å²	9	35.6 Å²	35.6	9%	0.093	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.4	165.6	165.4	0	0	0	0	0	115	Y820	G809-Y820 PolarHBondContact N-O 3.49Å; G809-Y820 PolarHBondContact O-N 3.42Å
810	D	92.9	Very high	91.2	Very high	100 Å²	100	33.5 Å²	33.5	54%	0.535	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.1	170.2	-67.8	-79.7	0	0	0	111	M818 K890	D810-M818 WeakPolarHBondContact CA-O 3.48Å; D810-K890 IonicContact OD1-NZ 2.94Å; D810-K890 PolarHBondContact OD1-NZ 2.85Å
811	F	91.6	Very high	91	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.3	173.1	67.2	-84.5	0	0	0	111.1	L813 M818 Y820 K838 L840 I860	F811-L813 HydrophobicContact CD2-CB 4.14Å; F811-L813 HydrophobicContact CE2-CB 3.85Å; F811-L813 HydrophobicContact CE2-CD2 4.44Å; F811-M818 HydrophobicContact CD1-CB 4.26Å; F811-M818 HydrophobicContact CD2-CB 4.26Å; F811-M818 HydrophobicContact CE1-CB 3.76Å; F811-M818 HydrophobicContact CE2-CB 3.8Å; F811-M818 HydrophobicContact CE2-CG 4.23Å; F811-M818 HydrophobicContact CE2-SD 3.64Å; F811-M818 HydrophobicContact CG-CB 4.49Å; F811-M818 HydrophobicContact CZ-CB 3.53Å; F811-M818 HydrophobicContact CZ-CE 4.07Å; F811-M818 HydrophobicContact CZ-CG 4.24Å; F811-M818 HydrophobicContact CZ-SD 3.7Å; F811-M818 PolarHBondContact N-O 3.24Å; F811-M818 PolarHBondContact O-N 2.84Å; F811-Y820 HydrophobicContact CE1-CD2 4.05Å; F811-Y820 HydrophobicContact CE1-CG 4.39Å; F811-Y820 HydrophobicContact CZ-CD2 4.48Å; F811-K838 HydrophobicContact CB-CB 4.38Å; F811-K838 HydrophobicContact CB-CD 4.33Å; F811-K838 HydrophobicContact CB-CG 4.28Å; F811-K838 HydrophobicContact CD2-CD 4.09Å; F811-K838 HydrophobicContact CD2-CG 3.75Å; F811-K838 HydrophobicContact CE2-CG 4.31Å; F811-K838 HydrophobicContact CG-CB 4.42Å; F811-K838 HydrophobicContact CG-CG 4.1Å; F811-L840 HydrophobicContact CD1-CD2 4.13Å; F811-I860 HydrophobicContact CD2-CD1 4.37Å; F811-I860 HydrophobicContact CE1-CD1 4.32Å; F811-I860 HydrophobicContact CE2-CD1 3.74Å; F811-I860 HydrophobicContact CZ-CD1 3.71Å
812	T	89.9	Confident	90.8	Very high	82 Å²	82	33.2 Å²	33.2	50%	0.503	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.9	172.6	52.7	0	0	0	0	110.3	H816 D817 K838	T812-H816 WeakPolarHBondContact CA-O 3.45Å; T812-D817 VanDerWaalsContact CG2-OD1 3.25Å; T812-D817 WeakPolarHBondContact CG2-OD1 3.48Å; T812-K838 VanDerWaalsContact O-CE 3.25Å; T812-K838 WeakPolarHBondContact O-CE 3.33Å; T812-K838 PolarHBondContact O-NZ 3.28Å
813	L	87.8	Confident	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.5	173.1	-174.9	67.3	0	0	0	108.8	F811 D815 H816 M818 I836 L861 W894 L895 L912	F811-L813 HydrophobicContact CD2-CB 4.14Å; F811-L813 HydrophobicContact CE2-CB 3.85Å; F811-L813 HydrophobicContact CE2-CD2 4.44Å; L813-D815 VanDerWaalsContact C-N 3.33Å; L813-D815 PolarHBondContact O-N 3.41Å; L813-H816 PolarHBondContact N-O 2.67Å; L813-H816 WeakPolarHBondContact O-CB 3.32Å; L813-H816 PolarHBondContact O-N 3.09Å; L813-M818 HydrophobicContact CB-SD 4.02Å; L813-M818 HydrophobicContact CD2-SD 4.17Å; L813-I836 HydrophobicContact CD1-CD1 4.23Å; L813-I836 HydrophobicContact CD1-CG2 3.88Å; L813-L861 HydrophobicContact CD2-CD2 4.48Å; L813-W894 HydrophobicContact CB-CH2 4.01Å; L813-W894 HydrophobicContact CB-CZ2 4.06Å; L813-W894 HydrophobicContact CD2-CH2 3.72Å; L813-W894 HydrophobicContact CD2-CZ2 4.22Å; L813-W894 HydrophobicContact CG-CH2 3.75Å; L813-W894 HydrophobicContact CG-CZ2 4.28Å; L813-W894 WeakPolarHBondContact O-CH2 3.38Å; L813-W894 WeakPolarHBondContact O-CZ2 3.19Å; L813-L895 HydrophobicContact CD2-CD1 4.42Å; L813-L912 HydrophobicContact CD2-CD2 4.17Å; L813-L912 HydrophobicContact CG-CD2 4.4Å
814	A	82.8	Confident	90.6	Very high	28 Å²	28	33.2 Å²	33.2	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	47.7	-179.4	0	0	0	0	0	114.5	H816 W894 S911	A814-H816 PolarHBondContact O-CD2 2.88Å; A814-H816 VanDerWaalsContact O-CD2 3.23Å; A814-H816 PolarHBondContact O-N 3.03Å; A814-W894 HydrophobicContact CB-CH2 4.19Å; A814-W894 HydrophobicContact CB-CZ3 4.28Å; A814-S911 VanDerWaalsContact CB-CB 3.42Å
815	D	83.8	Confident	90.7	Very high	169 Å²	169	31 Å²	31	90%	0.904	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	11.1	-178.4	-52.5	-41.1	0	0	0	115.8	L813	L813-D815 VanDerWaalsContact C-N 3.33Å; L813-D815 PolarHBondContact O-N 3.41Å
816	H	88.3	Confident	91	Very high	87 Å²	87	30.5 Å²	30.5	40%	0.403	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.1	171.9	-67.4	-85.5	0	0	0	111.2	T812 L813 A814 W894	T812-H816 WeakPolarHBondContact CA-O 3.45Å; L813-H816 PolarHBondContact N-O 2.67Å; L813-H816 WeakPolarHBondContact O-CB 3.32Å; L813-H816 PolarHBondContact O-N 3.09Å; A814-H816 PolarHBondContact O-CD2 2.88Å; A814-H816 VanDerWaalsContact O-CD2 3.23Å; A814-H816 PolarHBondContact O-N 3.03Å; H816-W894 HydrophobicContact CB-CD2 4.15Å; H816-W894 VanDerWaalsContact CB-CE2 3.46Å; H816-W894 HydrophobicContact CB-CG 4.43Å; H816-W894 HydrophobicContact CB-CZ2 3.71Å; H816-W894 AromaticContact CD2-CD2 3.72Å; H816-W894 AromaticContact CD2-CE2 3.92Å; H816-W894 AromaticContact CG-CD1 3.86Å; H816-W894 AromaticContact CG-CD2 3.85Å; H816-W894 AromaticContact CG-CE2 3.7Å; H816-W894 AromaticContact CG-CG 3.94Å; H816-W894 AromaticContact CG-NE1 3.7Å; H816-W894 AromaticContact ND1-CD1 3.92Å
817	D	91.3	Very high	91	Very high	109 Å²	109	30.5 Å²	30.5	58%	0.583	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.8	170.9	-65.2	-33.5	0	0	0	109.3	T812 K890	T812-D817 VanDerWaalsContact CG2-OD1 3.25Å; T812-D817 WeakPolarHBondContact CG2-OD1 3.48Å; D817-K890 HydrophobicContact CB-CD 4.41Å
818	M	91.4	Very high	91	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	164.1	178.1	-64	-175.3	75.7	0	0	110.3	D810 F811 L813 C892 W894 L895	D810-M818 WeakPolarHBondContact CA-O 3.48Å; F811-M818 HydrophobicContact CD1-CB 4.26Å; F811-M818 HydrophobicContact CD2-CB 4.26Å; F811-M818 HydrophobicContact CE1-CB 3.76Å; F811-M818 HydrophobicContact CE2-CB 3.8Å; F811-M818 HydrophobicContact CE2-CG 4.23Å; F811-M818 HydrophobicContact CE2-SD 3.64Å; F811-M818 HydrophobicContact CG-CB 4.49Å; F811-M818 HydrophobicContact CZ-CB 3.53Å; F811-M818 HydrophobicContact CZ-CE 4.07Å; F811-M818 HydrophobicContact CZ-CG 4.24Å; F811-M818 HydrophobicContact CZ-SD 3.7Å; F811-M818 PolarHBondContact N-O 3.24Å; F811-M818 PolarHBondContact O-N 2.84Å; L813-M818 HydrophobicContact CB-SD 4.02Å; L813-M818 HydrophobicContact CD2-SD 4.17Å; M818-C892 HydrophobicContact CE-CB 3.46Å; M818-C892 VanDerWaalsContact CE-CB 3.46Å; M818-W894 HydrophobicContact CE-CZ2 4.45Å; M818-W894 HydrophobicContact CG-CZ2 4.06Å; M818-W894 HydrophobicContact SD-CH2 4.29Å; M818-W894 HydrophobicContact SD-CZ2 3.33Å; M818-W894 WeakPolarHBondContact SD-CZ2 3.33Å; M818-L895 HydrophobicContact CE-CB 4.32Å; M818-L895 HydrophobicContact CE-CD2 3.71Å
819	Y	92.8	Very high	91	Very high	15 Å²	15	35 Å²	35	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.9	172.2	-175.6	-101.3	0	0	0	107.9	R677 E808 A821	R677-Y819 PolarHBondContact NE-OH 2.81Å; E808-Y819 HydrophobicContact CG-CE1 4.49Å; E808-Y819 HydrophobicContact CG-CE2 4.49Å; E808-Y819 WeakPolarHBondContact CG-OH 3.28Å; E808-Y819 PolarHBondContact OE1-OH 3.01Å; Y819-A821 HydrophobicContact CD1-CB 3.8Å; Y819-A821 HydrophobicContact CE1-CB 3.71Å
820	Y	92.3	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.6	171.2	-149.5	-111.8	0	0	0	107.9	Y807 E808 G809 F811 C824 L840 I860 Y877 G878 D879	Y807-Y820 WeakPolarHBondContact O-CD1 3.11Å; E808-Y820 VanDerWaalsContact CA-O 3.28Å; E808-Y820 WeakPolarHBondContact CA-O 3.31Å; E808-Y820 WeakPolarHBondContact CG-O 3.48Å; G809-Y820 PolarHBondContact N-O 3.49Å; G809-Y820 PolarHBondContact O-N 3.42Å; F811-Y820 HydrophobicContact CE1-CD2 4.05Å; F811-Y820 HydrophobicContact CE1-CG 4.39Å; F811-Y820 HydrophobicContact CZ-CD2 4.48Å; Y820-C824 PolarHBondContact OH-O 2.68Å; Y820-L840 HydrophobicContact CD1-CD1 3.61Å; Y820-L840 HydrophobicContact CE1-CD1 4.13Å; Y820-L840 HydrophobicContact CG-CD1 3.88Å; Y820-I860 HydrophobicContact CD2-CG2 4.37Å; Y820-I860 HydrophobicContact CE1-CG2 4.2Å; Y820-I860 HydrophobicContact CE2-CB 3.96Å; Y820-I860 HydrophobicContact CE2-CG2 3.91Å; Y820-Y877 HydrophobicContact CD2-CE2 4.41Å; Y820-Y877 AromaticContact CD2-CZ 3.98Å; Y820-Y877 WeakPolarHBondContact CD2-OH 3.28Å; Y820-Y877 HydrophobicContact CE2-CE1 4.34Å; Y820-Y877 AromaticContact CE2-CE2 3.9Å; Y820-Y877 HydrophobicContact CE2-CE2 3.9Å; Y820-Y877 AromaticContact CE2-CZ 3.71Å; Y820-G878 WeakPolarHBondContact OH-CA 3.17Å; Y820-G878 PolarHBondContact OH-N 3.3Å; Y820-G878 PolarHBondContact OH-O 3.03Å; Y820-D879 VanDerWaalsContact CA-OD2 3.31Å; Y820-D879 WeakPolarHBondContact CA-OD2 3.34Å; Y820-D879 HydrophobicContact CD2-CB 3.74Å; Y820-D879 HydrophobicContact CE1-CB 4.37Å; Y820-D879 HydrophobicContact CE2-CB 3.44Å; Y820-D879 VanDerWaalsContact CE2-CB 3.44Å; Y820-D879 HydrophobicContact CG-CB 4.32Å
821	A	90.6	Very high	90.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	95.4	-174.9	0	0	0	0	0	110.8	Y819 G823 D879 N881	Y819-A821 HydrophobicContact CD1-CB 3.8Å; Y819-A821 HydrophobicContact CE1-CB 3.71Å; A821-G823 PolarHBondContact O-N 2.88Å; A821-D879 PolarHBondContact N-OD2 3.37Å; A821-N881 HydrophobicContact CB-CB 3.9Å; A821-N881 VanDerWaalsContact CB-ND2 3.34Å; A821-N881 WeakPolarHBondContact CB-ND2 3.2Å
822	S	90.6	Very high	90.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.9	39.3	173	-63.6	0	0	0	0	113.1	D674 L676 W759 L806 Y807 Q843	D674-S822 WeakPolarHBondContact O-CB 3.36Å; L676-S822 PolarHBondContact N-OG 2.58Å; L676-S822 VanDerWaalsContact N-OG 3.09Å; W759-S822 WeakPolarHBondContact CB-O 3.47Å; L806-S822 VanDerWaalsContact CD1-O 3.28Å; L806-S822 WeakPolarHBondContact CD1-O 3.49Å; Y807-S822 CarbonylContact O-C 3.52Å; Y807-S822 WeakPolarHBondContact O-CA 3.22Å; Y807-S822 PolarHBondContact O-N 2.78Å; S822-Q843 VanDerWaalsContact CB-OE1 3.28Å; S822-Q843 PolarHBondContact OG-NE2 2.87Å; S822-Q843 PolarHBondContact OG-OE1 2.91Å
823	G	91.7	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	162.1	-177.3	0	0	0	0	0	113.9	Y807 A821 G878	Y807-G823 PolarHBondContact N-O 2.88Å; Y807-G823 PolarHBondContact O-N 2.69Å; Y807-G823 VanDerWaalsContact O-N 3.1Å; A821-G823 PolarHBondContact O-N 2.88Å; G823-G878 CarbonylContact C-O 3.58Å; G823-G878 WeakPolarHBondContact CA-O 3.38Å
824	C	93.1	Very high	90.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	161.5	172.6	62.7	0	0	0	0	112.6	D758 F802 G805 Y820 G878	D758-C824 PolarHBondContact O-SG 3.32Å; F802-C824 VanDerWaalsContact CD1-SG 3.56Å; G805-C824 VanDerWaalsContact O-CA 3.3Å; G805-C824 WeakPolarHBondContact O-CA 3.26Å; Y820-C824 PolarHBondContact OH-O 2.68Å; C824-G878 PolarHBondContact N-O 3.27Å
825	S	93.9	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	168.2	171.5	73.2	0	0	0	0	112.2	F802 S803 Y807 P859	F802-S825 CarbonylContact C-O 3.31Å; F802-S825 WeakPolarHBondContact CA-O 3.33Å; S803-S825 WeakPolarHBondContact CB-OG 3.42Å; S803-S825 PolarHBondContact N-O 3.02Å; S803-S825 PolarHBondContact OG-N 2.56Å; S803-S825 PolarHBondContact OG-O 3.14Å; S803-S825 PolarHBondContact OG-OG 2.83Å; Y807-S825 WeakPolarHBondContact CE2-OG 3.32Å; S825-P859 CarbonylContact C-O 3.57Å; S825-P859 WeakPolarHBondContact CA-O 3.46Å; S825-P859 WeakPolarHBondContact CB-O 3.31Å
826	I	94.1	Very high	91.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.3	176.5	-57.3	172.8	0	0	0	109.6	F802 R828 F829 P859 G862 L876 P922	F802-I826 HydrophobicContact CD1-CG1 4.2Å; F802-I826 HydrophobicContact CE1-CG1 4.16Å; I826-R828 WeakPolarHBondContact CG2-O 3.25Å; I826-F829 HydrophobicContact CG2-CB 4.04Å; I826-F829 HydrophobicContact CG2-CD2 3.96Å; I826-F829 HydrophobicContact CG2-CG 4.37Å; I826-P859 HydrophobicContact CB-CB 4.25Å; I826-P859 HydrophobicContact CB-CG 4.39Å; I826-P859 PolarHBondContact N-O 3.01Å; I826-P859 WeakPolarHBondContact O-CG 3.31Å; I826-G862 VanDerWaalsContact CD1-N 3.29Å; I826-L876 HydrophobicContact CD1-CB 4.22Å; I826-P922 HydrophobicContact CG2-CG 4.44Å; I826-P922 WeakPolarHBondContact O-CG 3.42Å
827	A	93.1	Very high	91.7	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-35.4	179.5	0	0	0	0	0	113.4	A801 P922 G924 L929	A801-A827 PolarHBondContact O-N 2.95Å; A827-P922 WeakPolarHBondContact O-CB 3.33Å; A827-G924 WeakPolarHBondContact O-CA 3.36Å; A827-G924 PolarHBondContact O-N 2.96Å; A827-L929 HydrophobicContact CB-CD2 3.84Å
828	R	93.5	Very high	91.8	Very high	103 Å²	103	23.7 Å²	23.7	39%	0.389	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.8	-178.4	-70.7	177.9	-172.4	175	3	110.1	M800 A801 I826 P922 G924	M800-R828 WeakPolarHBondContact CA-O 3.21Å; A801-R828 HydrophobicContact CB-CB 3.96Å; A801-R828 HydrophobicContact CB-CG 4.32Å; A801-R828 PolarHBondContact N-O 2.84Å; A801-R828 PolarHBondContact O-N 3.37Å; I826-R828 WeakPolarHBondContact CG2-O 3.25Å; R828-P922 WeakPolarHBondContact CA-O 3.34Å; R828-G924 VanDerWaalsContact CG-CA 3.42Å
829	F	93.9	Very high	91.9	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.035	14%	0.135	C	C	.	.			trans	-151.6	145.4	174.1	-151.3	-105.4	0	0	0	111.1	M800 I826 V835 G862 L863 L876 P921 P922	M800-F829 HydrophobicContact CE-CE2 3.98Å; M800-F829 HydrophobicContact CE-CZ 4.21Å; M800-F829 HydrophobicContact CG-CD2 3.97Å; M800-F829 HydrophobicContact CG-CE2 4.1Å; M800-F829 HydrophobicContact SD-CD2 4.39Å; M800-F829 HydrophobicContact SD-CE2 3.91Å; I826-F829 HydrophobicContact CG2-CB 4.04Å; I826-F829 HydrophobicContact CG2-CD2 3.96Å; I826-F829 HydrophobicContact CG2-CG 4.37Å; F829-V835 HydrophobicContact CB-CG2 3.93Å; F829-V835 HydrophobicContact CD1-CG2 3.39Å; F829-V835 HydrophobicContact CE1-CG2 4.06Å; F829-V835 HydrophobicContact CG-CG2 3.78Å; F829-G862 VanDerWaalsContact CZ-C 3.44Å; F829-L863 WeakPolarHBondContact CE1-O 3.36Å; F829-L876 HydrophobicContact CD2-CD1 4.22Å; F829-L876 HydrophobicContact CE2-CD1 3.88Å; F829-L876 HydrophobicContact CE2-CG 4.26Å; F829-P921 HydrophobicContact CB-CB 4.21Å; F829-P921 WeakPolarHBondContact O-CB 3.32Å; F829-P922 HydrophobicContact CB-CG 4.36Å; F829-P922 PolarHBondContact N-O 2.99Å
830	P	92.7	Very high	91.9	Very high	18 Å²	18	27.2 Å²	27.2	12%	0.117	13%	0.133	C	C	.	.			trans	-57	144.2	177.6	-28.6	36.7	0	0	0	113.8	W798 M800 D832 G833 Y864 P921	W798-P830 VanDerWaalsContact O-CG 3.24Å; W798-P830 WeakPolarHBondContact O-CG 3.32Å; M800-P830 HydrophobicContact CE-CG 3.93Å; M800-P830 HydrophobicContact CG-CG 4.32Å; P830-D832 VanDerWaalsContact C-N 3.27Å; P830-D832 VanDerWaalsContact CB-OD1 3.22Å; P830-D832 WeakPolarHBondContact CB-OD1 3.4Å; P830-D832 PolarHBondContact O-N 2.9Å; P830-G833 WeakPolarHBondContact O-CA 3.37Å; P830-G833 PolarHBondContact O-N 2.85Å; P830-Y864 HydrophobicContact CB-CD2 3.73Å; P830-Y864 HydrophobicContact CB-CE2 3.42Å; P830-Y864 VanDerWaalsContact CB-CE2 3.42Å; P830-Y864 HydrophobicContact CG-CD2 3.76Å; P830-Y864 HydrophobicContact CG-CE2 3.63Å; P830-Y864 HydrophobicContact CG-CG 4.29Å; P830-P921 WeakPolarHBondContact O-CB 3.33Å; P830-P921 VanDerWaalsContact O-CG 3.25Å; P830-P921 WeakPolarHBondContact O-CG 3.49Å
831	E	87.1	Confident	92	Very high	181 Å²	181	31.8 Å²	31.8	85%	0.846	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.8	-176.7	-65.3	-173	172	0	0	113.8	G833	E831-G833 VanDerWaalsContact C-N 3.26Å
832	D	87.2	Confident	92.1	Very high	107 Å²	107	33.6 Å²	33.6	57%	0.572	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.2	176.1	56.3	-36.2	0	0	0	113.2	P830 Y864	P830-D832 VanDerWaalsContact C-N 3.27Å; P830-D832 VanDerWaalsContact CB-OD1 3.22Å; P830-D832 WeakPolarHBondContact CB-OD1 3.4Å; P830-D832 PolarHBondContact O-N 2.9Å; D832-Y864 WeakPolarHBondContact OD1-CE2 3.44Å; D832-Y864 WeakPolarHBondContact OD2-CE2 3.49Å
833	G	88.9	Confident	92	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-73.2	163.1	176.1	0	0	0	0	0	114.8	P830 E831	P830-G833 WeakPolarHBondContact O-CA 3.37Å; P830-G833 PolarHBondContact O-N 2.85Å; E831-G833 VanDerWaalsContact C-N 3.26Å
834	I	90.8	Very high	91.8	Very high	25 Å²	25	34 Å²	34	13%	0.128	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.6	170	-53.7	176.7	0	0	0	107.9	G862 L863 T908 R918	I834-G862 CarbonylContact O-C 3.56Å; I834-G862 WeakPolarHBondContact O-CA 3.46Å; I834-L863 HydrophobicContact CB-CB 4.24Å; I834-L863 PolarHBondContact N-O 2.98Å; I834-L863 PolarHBondContact O-N 3.4Å; I834-T908 HydrophobicContact CD1-CG2 4.04Å; I834-R918 HydrophobicContact CG2-CG 4.36Å
835	V	92.5	Very high	91.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.3	175.1	-179.2	0	0	0	0	109.9	F829 P859 L861 R918 V919 P921	F829-V835 HydrophobicContact CB-CG2 3.93Å; F829-V835 HydrophobicContact CD1-CG2 3.39Å; F829-V835 HydrophobicContact CE1-CG2 4.06Å; F829-V835 HydrophobicContact CG-CG2 3.78Å; V835-P859 HydrophobicContact CG1-CB 3.54Å; V835-L861 CarbonylContact C-O 3.43Å; V835-L861 WeakPolarHBondContact CA-O 3.35Å; V835-R918 WeakPolarHBondContact O-CA 3.38Å; V835-V919 PolarHBondContact O-N 3.46Å; V835-P921 HydrophobicContact CG2-CB 4.13Å; V835-P921 HydrophobicContact CG2-CG 4.23Å
836	I	92.4	Very high	91.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.7	174.1	-54.4	-171.6	0	0	0	108.6	L813 I860 L861 L912	L813-I836 HydrophobicContact CD1-CD1 4.23Å; L813-I836 HydrophobicContact CD1-CG2 3.88Å; I836-I860 PolarHBondContact O-N 2.69Å; I836-L861 HydrophobicContact CB-CB 4.3Å; I836-L861 HydrophobicContact CD1-CD2 4.11Å; I836-L861 PolarHBondContact N-O 3.03Å; I836-L861 PolarHBondContact O-N 2.86Å; I836-L912 HydrophobicContact CD1-CB 4.36Å; I836-L912 HydrophobicContact CD1-CD2 3.9Å
837	A	92.2	Very high	90.9	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.9	-179.7	0	0	0	0	0	112.4	G857 V858 S917 V919	A837-G857 WeakPolarHBondContact CB-O 3.32Å; A837-V858 CarbonylContact C-O 3.03Å; A837-V858 WeakPolarHBondContact CA-O 3.24Å; A837-V858 WeakPolarHBondContact CB-O 3.29Å; A837-S917 PolarHBondContact N-O 3.32Å; A837-S917 VanDerWaalsContact O-CB 3.3Å; A837-S917 WeakPolarHBondContact O-CB 3.48Å; A837-V919 HydrophobicContact CB-CB 4.25Å; A837-V919 HydrophobicContact CB-CG2 3.39Å
838	K	92.9	Very high	90.6	Very high	23 Å²	23	43.1 Å²	43.1	10%	0.1	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.6	178.4	-68.1	-66.3	177.2	177.8	0	111.1	F811 T812 L840 V858 I860 S917	F811-K838 HydrophobicContact CB-CB 4.38Å; F811-K838 HydrophobicContact CB-CD 4.33Å; F811-K838 HydrophobicContact CB-CG 4.28Å; F811-K838 HydrophobicContact CD2-CD 4.09Å; F811-K838 HydrophobicContact CD2-CG 3.75Å; F811-K838 HydrophobicContact CE2-CG 4.31Å; F811-K838 HydrophobicContact CG-CB 4.42Å; F811-K838 HydrophobicContact CG-CG 4.1Å; T812-K838 VanDerWaalsContact O-CE 3.25Å; T812-K838 WeakPolarHBondContact O-CE 3.33Å; T812-K838 PolarHBondContact O-NZ 3.28Å; K838-L840 HydrophobicContact CB-CG 4.42Å; K838-V858 PolarHBondContact N-O 3.4Å; K838-V858 WeakPolarHBondContact O-CB 3.48Å; K838-V858 PolarHBondContact O-N 2.84Å; K838-I860 HydrophobicContact CB-CD1 4.06Å; K838-I860 HydrophobicContact CG-CD1 3.59Å; K838-I860 HydrophobicContact CG-CG1 4.36Å; K838-S917 PolarHBondContact NZ-OG 3.49Å
839	N	93.5	Very high	90.3	Very high	91 Å²	91	44.6 Å²	44.6	49%	0.487	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.9	174.5	-62.4	-1.4	0	0	0	107.5	V854 V855 E856 G857	N839-V854 HydrophobicContact CB-CG1 4.44Å; N839-V855 WeakPolarHBondContact CA-O 3.46Å; N839-E856 VanDerWaalsContact OD1-CA 3.31Å; N839-E856 WeakPolarHBondContact OD1-CA 3.28Å; N839-G857 PolarHBondContact OD1-N 2.91Å
840	L	93.9	Very high	89.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.6	-175.7	-64.9	175.5	0	0	0	110.1	Y807 F811 Y820 K838 V854 V855 V858 I860	Y807-L840 HydrophobicContact CD1-CB 4.5Å; F811-L840 HydrophobicContact CD1-CD2 4.13Å; Y820-L840 HydrophobicContact CD1-CD1 3.61Å; Y820-L840 HydrophobicContact CE1-CD1 4.13Å; Y820-L840 HydrophobicContact CG-CD1 3.88Å; K838-L840 HydrophobicContact CB-CG 4.42Å; L840-V854 CarbonylContact O-C 3.59Å; L840-V854 WeakPolarHBondContact O-CA 3.3Å; L840-V855 PolarHBondContact N-O 3.17Å; L840-V855 PolarHBondContact O-N 3.21Å; L840-V858 HydrophobicContact CB-CG2 4.35Å; L840-V858 HydrophobicContact CD1-CB 4.33Å; L840-V858 HydrophobicContact CD1-CG1 4.27Å; L840-I860 HydrophobicContact CD1-CG2 3.67Å
841	K	93.3	Very high	89.4	Confident	96 Å²	96	56.9 Å²	56.9	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.2	172.8	-61.8	174.6	-178.1	175.3	0	109.3	Y807 E808 Q843 A853 V854	Y807-K841 CarbonylContact C-O 3.49Å; Y807-K841 VanDerWaalsContact CA-O 3.28Å; Y807-K841 WeakPolarHBondContact CA-O 3.35Å; E808-K841 PolarHBondContact N-O 3.07Å; E808-K841 WeakPolarHBondContact O-CA 3.35Å; E808-K841 VanDerWaalsContact O-CB 3.31Å; E808-K841 WeakPolarHBondContact O-CB 3.5Å; E808-K841 PolarHBondContact O-N 2.93Å; K841-Q843 PolarHBondContact O-N 3.22Å; K841-A853 CarbonylContact C-O 3.59Å; K841-A853 WeakPolarHBondContact CA-O 3.41Å; K841-V854 HydrophobicContact CG-CG2 4.2Å
842	D	92.3	Very high	89.2	Confident	37 Å²	37	53.1 Å²	53.1	20%	0.198	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	97.5	171.1	-173.3	-20.5	0	0	0	109.2	G844 L845 E846 A853 V855	D842-G844 VanDerWaalsContact C-N 3.33Å; D842-G844 WeakPolarHBondContact OD1-CA 3.44Å; D842-G844 PolarHBondContact OD1-N 2.78Å; D842-L845 HydrophobicContact CB-CB 4.07Å; D842-L845 PolarHBondContact OD1-N 2.76Å; D842-E846 PolarHBondContact O-N 2.98Å; D842-A853 PolarHBondContact N-O 3.22Å; D842-V855 HydrophobicContact CB-CG2 3.98Å
843	Q	89.1	Confident	89.3	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-78.1	-23.7	179.7	-168.8	-165.4	55.4	0	0	110.9	L806 E808 S822 K841 E846 V847	L806-Q843 HydrophobicContact CD2-CB 4.25Å; L806-Q843 HydrophobicContact CD2-CG 4.39Å; L806-Q843 HydrophobicContact CG-CB 4.11Å; L806-Q843 PolarHBondContact O-N 3.39Å; E808-Q843 HydrophobicContact CB-CB 4.02Å; E808-Q843 HydrophobicContact CB-CG 4.46Å; E808-Q843 PolarHBondContact OE1-NE2 3.21Å; E808-Q843 PolarHBondContact OE2-NE2 3.2Å; S822-Q843 VanDerWaalsContact CB-OE1 3.28Å; S822-Q843 PolarHBondContact OG-NE2 2.87Å; S822-Q843 PolarHBondContact OG-OE1 2.91Å; K841-Q843 PolarHBondContact O-N 3.22Å; Q843-E846 PolarHBondContact O-N 2.92Å; Q843-V847 HydrophobicContact CG-CG2 4.4Å; Q843-V847 WeakPolarHBondContact O-CB 3.49Å; Q843-V847 VanDerWaalsContact O-CG2 3.32Å; Q843-V847 WeakPolarHBondContact O-CG2 3.25Å; Q843-V847 PolarHBondContact O-N 2.57Å
844	G	87.2	Confident	89.4	Confident	4 Å²	4	54.2 Å²	54.2	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-47.3	170.7	0	0	0	0	0	111.6	L806 D842 V847 L848	L806-G844 PolarHBondContact O-N 2.82Å; D842-G844 VanDerWaalsContact C-N 3.33Å; D842-G844 WeakPolarHBondContact OD1-CA 3.44Å; D842-G844 PolarHBondContact OD1-N 2.78Å; G844-V847 PolarHBondContact O-N 3.14Å; G844-L848 VanDerWaalsContact O-CB 3.29Å; G844-L848 WeakPolarHBondContact O-CB 3.36Å; G844-L848 WeakPolarHBondContact O-CG 2.93Å; G844-L848 PolarHBondContact O-N 2.93Å
845	L	88.3	Confident	89.4	Confident	36 Å²	36	55.2 Å²	55.2	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-40.3	174.2	-166.8	73.1	0	0	0	112	D842 L848 K849 E851 A853	D842-L845 HydrophobicContact CB-CB 4.07Å; D842-L845 PolarHBondContact OD1-N 2.76Å; L845-L848 PolarHBondContact O-N 3.36Å; L845-K849 HydrophobicContact CD1-CB 4.41Å; L845-K849 HydrophobicContact CD1-CD 3.6Å; L845-K849 HydrophobicContact CD1-CG 4.06Å; L845-K849 WeakPolarHBondContact O-CA 3.38Å; L845-K849 PolarHBondContact O-N 2.79Å; L845-E851 CarbonylContact C-O 3.52Å; L845-E851 HydrophobicContact CD2-CB 4.39Å; L845-E851 HydrophobicContact CG-CB 4.49Å; L845-A853 HydrophobicContact CD2-CB 3.67Å
846	E	87.4	Confident	89.1	Confident	56 Å²	56	62.5 Å²	62.5	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-47.6	175.9	-173.7	-178.9	161.2	0	0	110.9	R677 D842 Q843 Q850 E851 T852	R677-E846 IonicContact NH2-OE2 2.88Å; D842-E846 PolarHBondContact O-N 2.98Å; Q843-E846 PolarHBondContact O-N 2.92Å; E846-Q850 WeakPolarHBondContact O-CA 3.21Å; E846-Q850 PolarHBondContact O-N 3.3Å; E846-E851 VanDerWaalsContact CA-O 3.26Å; E846-E851 WeakPolarHBondContact CA-O 3.35Å; E846-E851 PolarHBondContact N-O 3.44Å; E846-T852 HydrophobicContact CG-CG2 4.09Å
847	V	86	Confident	88.9	Confident	40 Å²	40	64.2 Å²	64.2	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-43	178.9	173.4	0	0	0	0	110.4	V764 K767 Q843 G844	V764-V847 HydrophobicContact CG1-CG1 4.14Å; K767-V847 HydrophobicContact CD-CG1 4.16Å; K767-V847 VanDerWaalsContact CD-O 3.25Å; K767-V847 WeakPolarHBondContact CD-O 3.3Å; K767-V847 WeakPolarHBondContact CE-O 3.07Å; K767-V847 HydrophobicContact CG-CG1 4.49Å; K767-V847 PolarHBondContact NZ-O 2.8Å; Q843-V847 HydrophobicContact CG-CG2 4.4Å; Q843-V847 WeakPolarHBondContact O-CB 3.49Å; Q843-V847 VanDerWaalsContact O-CG2 3.32Å; Q843-V847 WeakPolarHBondContact O-CG2 3.25Å; Q843-V847 PolarHBondContact O-N 2.57Å; G844-V847 PolarHBondContact O-N 3.14Å
848	L	87.3	Confident	88.9	Confident	64 Å²	64	64 Å²	64	34%	0.335	34%	0.338	S	S	.	.	H	α-helix	trans	-77.6	-44.2	-174.5	-68.5	173.1	0	0	0	114	V764 K767 G844 L845	V764-L848 HydrophobicContact CG2-CG 4.35Å; K767-L848 HydrophobicContact CB-CD2 4.38Å; K767-L848 HydrophobicContact CD-CD2 4.01Å; K767-L848 VanDerWaalsContact NZ-C 3.31Å; K767-L848 PolarHBondContact NZ-O 3.4Å; G844-L848 VanDerWaalsContact O-CB 3.29Å; G844-L848 WeakPolarHBondContact O-CB 3.36Å; G844-L848 WeakPolarHBondContact O-CG 2.93Å; G844-L848 PolarHBondContact O-N 2.93Å; L845-L848 PolarHBondContact O-N 3.36Å
849	K	86.9	Confident	88.9	Confident	134 Å²	134	63.7 Å²	63.7	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-114.8	-5.3	-173.3	-60.4	-170	-168.2	167.6	0	114.7	L845 E851	L845-K849 HydrophobicContact CD1-CB 4.41Å; L845-K849 HydrophobicContact CD1-CD 3.6Å; L845-K849 HydrophobicContact CD1-CG 4.06Å; L845-K849 WeakPolarHBondContact O-CA 3.38Å; L845-K849 PolarHBondContact O-N 2.79Å; K849-E851 HydrophobicContact CB-CB 4.35Å; K849-E851 HydrophobicContact CB-CG 4.24Å; K849-E851 PolarHBondContact O-N 3.16Å
850	Q	82.5	Confident	88.9	Confident	171 Å²	171	59.4 Å²	59.4	80%	0.799	32%	0.315	S	S	*	.	S	Bend	trans	60.1	23	-171.8	-58.1	-179.8	-15.1	0	0	113.3	E846	E846-Q850 WeakPolarHBondContact O-CA 3.21Å; E846-Q850 PolarHBondContact O-N 3.3Å
851	E	85.6	Confident	89	Confident	113 Å²	113	59.3 Å²	59.3	53%	0.528	32%	0.315	S	S	.	.			trans	-108	131.3	177.1	-69.4	176.6	172.8	0	0	109.4	L845 E846 K849	L845-E851 CarbonylContact C-O 3.52Å; L845-E851 HydrophobicContact CD2-CB 4.39Å; L845-E851 HydrophobicContact CG-CB 4.49Å; E846-E851 VanDerWaalsContact CA-O 3.26Å; E846-E851 WeakPolarHBondContact CA-O 3.35Å; E846-E851 PolarHBondContact N-O 3.44Å; K849-E851 HydrophobicContact CB-CB 4.35Å; K849-E851 HydrophobicContact CB-CG 4.24Å; K849-E851 PolarHBondContact O-N 3.16Å
852	T	83	Confident	89	Confident	102 Å²	102	54.8 Å²	54.8	63%	0.626	30%	0.295	S	S	*	.			trans	-95.9	114.1	175.1	56.7	0	0	0	0	109.7	E846	E846-T852 HydrophobicContact CG-CG2 4.09Å
853	A	89.6	Confident	89.1	Confident	34 Å²	34	53.1 Å²	53.1	28%	0.281	29%	0.286	S	S	.	.			trans	-113.2	141.7	170.8	0	0	0	0	0	110	K841 D842 L845	K841-A853 CarbonylContact C-O 3.59Å; K841-A853 WeakPolarHBondContact CA-O 3.41Å; D842-A853 PolarHBondContact N-O 3.22Å; L845-A853 HydrophobicContact CD2-CB 3.67Å
854	V	90.5	Very high	89.3	Confident	97 Å²	97	53.9 Å²	53.9	59%	0.588	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.3	170	-179.2	0	0	0	0	107.5	N839 L840 K841	N839-V854 HydrophobicContact CB-CG1 4.44Å; L840-V854 CarbonylContact O-C 3.59Å; L840-V854 WeakPolarHBondContact O-CA 3.3Å; K841-V854 HydrophobicContact CG-CG2 4.2Å
855	V	89.9	Confident	89.5	Confident	46 Å²	46	56.6 Å²	56.6	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.4	175	-178.1	0	0	0	0	107.7	Y807 N839 L840 D842 V858	Y807-V855 HydrophobicContact CE1-CB 4.14Å; Y807-V855 HydrophobicContact CE1-CG1 4.38Å; Y807-V855 HydrophobicContact CE1-CG2 4.14Å; N839-V855 WeakPolarHBondContact CA-O 3.46Å; L840-V855 PolarHBondContact N-O 3.17Å; L840-V855 PolarHBondContact O-N 3.21Å; D842-V855 HydrophobicContact CB-CG2 3.98Å; V855-V858 HydrophobicContact CB-CG2 3.82Å; V855-V858 HydrophobicContact CG1-CG2 3.67Å
856	E	88.1	Confident	89.5	Confident	155 Å²	155	55.1 Å²	55.1	72%	0.724	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	143.1	176.8	-60.8	-169.5	165.4	0	0	110.6	N839	N839-E856 VanDerWaalsContact OD1-CA 3.31Å; N839-E856 WeakPolarHBondContact OD1-CA 3.28Å
857	G	88.4	Confident	89.3	Confident	36 Å²	36	57.7 Å²	57.7	37%	0.371	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.3	36.6	172.7	0	0	0	0	0	115.7	A837 N839 P859	A837-G857 WeakPolarHBondContact CB-O 3.32Å; N839-G857 PolarHBondContact OD1-N 2.91Å; G857-P859 WeakPolarHBondContact O-CD 3.45Å
858	V	91.6	Very high	89.2	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.1	174.3	-178.5	0	0	0	0	110.4	Y807 A837 K838 L840 V855 I860	Y807-V858 HydrophobicContact CD1-CG1 4.09Å; Y807-V858 HydrophobicContact CD1-CG2 3.79Å; Y807-V858 HydrophobicContact CD2-CG1 3.52Å; Y807-V858 HydrophobicContact CE1-CG1 4.18Å; Y807-V858 HydrophobicContact CE1-CG2 3.71Å; Y807-V858 HydrophobicContact CE2-CG1 3.62Å; Y807-V858 HydrophobicContact CG-CG1 3.75Å; Y807-V858 HydrophobicContact CG-CG2 4.28Å; A837-V858 CarbonylContact C-O 3.03Å; A837-V858 WeakPolarHBondContact CA-O 3.24Å; A837-V858 WeakPolarHBondContact CB-O 3.29Å; K838-V858 PolarHBondContact N-O 3.4Å; K838-V858 WeakPolarHBondContact O-CB 3.48Å; K838-V858 PolarHBondContact O-N 2.84Å; L840-V858 HydrophobicContact CB-CG2 4.35Å; L840-V858 HydrophobicContact CD1-CB 4.33Å; L840-V858 HydrophobicContact CD1-CG1 4.27Å; V855-V858 HydrophobicContact CB-CG2 3.82Å; V855-V858 HydrophobicContact CG1-CG2 3.67Å; V858-I860 HydrophobicContact CG1-CG2 4.28Å; V858-I860 PolarHBondContact O-N 2.53Å
859	P	93.4	Very high	88.7	Confident	16 Å²	16	64.2 Å²	64.2	10%	0.104	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	116.5	-179.8	29.9	-34.2	0	0	0	111	S825 I826 V835 G857	S825-P859 CarbonylContact C-O 3.57Å; S825-P859 WeakPolarHBondContact CA-O 3.46Å; S825-P859 WeakPolarHBondContact CB-O 3.31Å; I826-P859 HydrophobicContact CB-CB 4.25Å; I826-P859 HydrophobicContact CB-CG 4.39Å; I826-P859 PolarHBondContact N-O 3.01Å; I826-P859 WeakPolarHBondContact O-CG 3.31Å; V835-P859 HydrophobicContact CG1-CB 3.54Å; G857-P859 WeakPolarHBondContact O-CD 3.45Å
860	I	93.3	Very high	88.3	Confident	1 Å²	1	61 Å²	61	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-23.9	-173.1	58.4	169	0	0	0	114.2	F811 Y820 I836 K838 L840 V858 Y877	F811-I860 HydrophobicContact CD2-CD1 4.37Å; F811-I860 HydrophobicContact CE1-CD1 4.32Å; F811-I860 HydrophobicContact CE2-CD1 3.74Å; F811-I860 HydrophobicContact CZ-CD1 3.71Å; Y820-I860 HydrophobicContact CD2-CG2 4.37Å; Y820-I860 HydrophobicContact CE1-CG2 4.2Å; Y820-I860 HydrophobicContact CE2-CB 3.96Å; Y820-I860 HydrophobicContact CE2-CG2 3.91Å; I836-I860 PolarHBondContact O-N 2.69Å; K838-I860 HydrophobicContact CB-CD1 4.06Å; K838-I860 HydrophobicContact CG-CD1 3.59Å; K838-I860 HydrophobicContact CG-CG1 4.36Å; L840-I860 HydrophobicContact CD1-CG2 3.67Å; V858-I860 HydrophobicContact CG1-CG2 4.28Å; V858-I860 PolarHBondContact O-N 2.53Å; I860-Y877 HydrophobicContact CD1-CE2 4.46Å; I860-Y877 VanDerWaalsContact O-CD2 3.31Å; I860-Y877 WeakPolarHBondContact O-CD2 3.4Å
861	L	94.5	Very high	88.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	126	-176.7	174.2	62.9	0	0	0	110.1	L813 V835 I836 L863 L876 Y877 L895 L899 L912	L813-L861 HydrophobicContact CD2-CD2 4.48Å; V835-L861 CarbonylContact C-O 3.43Å; V835-L861 WeakPolarHBondContact CA-O 3.35Å; I836-L861 HydrophobicContact CB-CB 4.3Å; I836-L861 HydrophobicContact CD1-CD2 4.11Å; I836-L861 PolarHBondContact N-O 3.03Å; I836-L861 PolarHBondContact O-N 2.86Å; L861-L863 HydrophobicContact CD1-CD2 4.2Å; L861-L876 WeakPolarHBondContact CA-O 2.96Å; L861-L876 WeakPolarHBondContact CD1-O 3.36Å; L861-Y877 HydrophobicContact CB-CD2 4.21Å; L861-Y877 HydrophobicContact CD1-CD2 4.35Å; L861-L895 HydrophobicContact CD2-CD1 3.99Å; L861-L899 HydrophobicContact CD1-CD2 3.87Å; L861-L912 HydrophobicContact CD2-CD1 4.44Å; L861-L912 HydrophobicContact CD2-CD2 4.03Å
862	G	94.5	Very high	88.7	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.5	176.3	0	0	0	0	0	111.3	I826 F829 I834 A875 L876	I826-G862 VanDerWaalsContact CD1-N 3.29Å; F829-G862 VanDerWaalsContact CZ-C 3.44Å; I834-G862 CarbonylContact O-C 3.56Å; I834-G862 WeakPolarHBondContact O-CA 3.46Å; G862-A875 WeakPolarHBondContact O-CA 3.11Å; G862-L876 PolarHBondContact N-O 3.01Å; G862-L876 PolarHBondContact O-N 3.2Å
863	L	93.9	Very high	89.2	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.9	173.4	-53.9	175.3	0	0	0	109.7	F829 I834 L861 A875 L899 Y902 L912	F829-L863 WeakPolarHBondContact CE1-O 3.36Å; I834-L863 HydrophobicContact CB-CB 4.24Å; I834-L863 PolarHBondContact N-O 2.98Å; I834-L863 PolarHBondContact O-N 3.4Å; L861-L863 HydrophobicContact CD1-CD2 4.2Å; L863-A875 HydrophobicContact CD2-CB 3.82Å; L863-L899 HydrophobicContact CD2-CD2 3.65Å; L863-Y902 HydrophobicContact CB-CD1 4.48Å; L863-Y902 HydrophobicContact CB-CE1 3.85Å; L863-Y902 HydrophobicContact CB-CE2 4.35Å; L863-Y902 HydrophobicContact CD2-CD1 3.91Å; L863-Y902 HydrophobicContact CD2-CE1 4.05Å; L863-Y902 HydrophobicContact CD2-CG 4.41Å; L863-Y902 HydrophobicContact CG-CE1 4.45Å; L863-L912 HydrophobicContact CD1-CD1 4.16Å
864	Y	93	Very high	89.5	Confident	21 Å²	21	42.9 Å²	42.9	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.6	-177	-177.8	-111.1	0	0	0	111.8	M800 P830 D832 T866 P867 R873 I874 Y902	M800-Y864 HydrophobicContact CE-CD1 3.24Å; M800-Y864 HydrophobicContact CE-CD2 4.17Å; M800-Y864 HydrophobicContact CE-CE1 4.03Å; M800-Y864 HydrophobicContact CE-CG 3.31Å; P830-Y864 HydrophobicContact CB-CD2 3.73Å; P830-Y864 HydrophobicContact CB-CE2 3.42Å; P830-Y864 VanDerWaalsContact CB-CE2 3.42Å; P830-Y864 HydrophobicContact CG-CD2 3.76Å; P830-Y864 HydrophobicContact CG-CE2 3.63Å; P830-Y864 HydrophobicContact CG-CG 4.29Å; D832-Y864 WeakPolarHBondContact OD1-CE2 3.44Å; D832-Y864 WeakPolarHBondContact OD2-CE2 3.49Å; Y864-T866 HydrophobicContact CD1-CG2 4.32Å; Y864-T866 HydrophobicContact CE1-CG2 3.99Å; Y864-P867 WeakPolarHBondContact OH-CD 3.4Å; Y864-R873 CarbonylContact O-C 2.88Å; Y864-R873 WeakPolarHBondContact O-CA 3.28Å; Y864-I874 HydrophobicContact CD1-CD1 4.35Å; Y864-I874 PolarHBondContact N-O 3.09Å; Y864-I874 PolarHBondContact O-N 3.29Å; Y864-Y902 PolarHBondContact N-OH 3.18Å; Y864-Y902 PolarHBondContact O-OH 3.3Å
865	Q	91	Very high	89.8	Confident	62 Å²	62	38.2 Å²	38.2	29%	0.29	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.4	171.4	170.4	63.1	64.1	0	0	107.4	G871 G872 Y902	Q865-G871 PolarHBondContact NE2-O 2.9Å; Q865-G872 PolarHBondContact NE2-O 3.17Å; Q865-Y902 PolarHBondContact N-OH 2.85Å
866	T	88.8	Confident	90.1	Very high	4 Å²	4	36 Å²	36	3%	0.025	21%	0.213	C	C	.	.			trans	-65.3	146.2	176.1	53.3	0	0	0	0	111.3	I747 Y864 S868 G871 G872	I747-T866 HydrophobicContact CG2-CG2 3.67Å; Y864-T866 HydrophobicContact CD1-CG2 4.32Å; Y864-T866 HydrophobicContact CE1-CG2 3.99Å; T866-S868 PolarHBondContact O-N 3.44Å; T866-S868 PolarHBondContact OG1-OG 2.86Å; T866-G871 VanDerWaalsContact OG1-CA 3.25Å; T866-G871 WeakPolarHBondContact OG1-CA 3.37Å; T866-G872 WeakPolarHBondContact CB-O 3.36Å; T866-G872 WeakPolarHBondContact CG2-O 3.39Å; T866-G872 PolarHBondContact N-O 3.38Å; T866-G872 VanDerWaalsContact N-O 3.16Å; T866-G872 PolarHBondContact OG1-N 3.24Å; T866-G872 VanDerWaalsContact OG1-N 3.14Å; T866-G872 PolarHBondContact OG1-O 3.02Å
867	P	84.2	Confident	90.5	Very high	111 Å²	111	28.7 Å²	28.7	72%	0.721	18%	0.178	S	C	*	.	S	Bend	trans	-76.7	-9.7	-175.4	30.2	-35.8	0	0	0	113.5	Y864	Y864-P867 WeakPolarHBondContact OH-CD 3.4Å
868	S	82.8	Confident	90.7	Very high	36 Å²	36	27 Å²	27	25%	0.252	16%	0.161	S	C	.	.	S	Bend	trans	-64.4	141.3	175.8	34.4	0	0	0	0	111	D748 T866 G870 G871	D748-S868 PolarHBondContact OD1-OG 3.28Å; T866-S868 PolarHBondContact O-N 3.44Å; T866-S868 PolarHBondContact OG1-OG 2.86Å; S868-G870 PolarHBondContact O-N 2.95Å; S868-G870 VanDerWaalsContact O-N 3.07Å; S868-G871 PolarHBondContact O-N 3.02Å; S868-G871 WeakPolarHBondContact OG-CA 3.34Å
869	E	77.3	Confident	90.8	Very high	205 Å²	205	26.9 Å²	26.9	96%	0.958	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	109.9	179.6	-168.6	179.6	-177.7	0	0	109.7	G871	E869-G871 VanDerWaalsContact C-N 3.31Å
870	G	78.2	Confident	90.7	Very high	67 Å²	67	26.1 Å²	26.1	69%	0.691	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	12.7	-172.2	0	0	0	0	0	114.6	G750 S868	G750-G870 WeakPolarHBondContact CA-O 3.24Å; S868-G870 PolarHBondContact O-N 2.95Å; S868-G870 VanDerWaalsContact O-N 3.07Å
871	G	85.2	Confident	90.6	Very high	9 Å²	9	26.2 Å²	26.2	9%	0.093	16%	0.156	C	C	.	.			trans	-63.8	157	176.2	0	0	0	0	0	113.4	Q865 T866 S868 E869	Q865-G871 PolarHBondContact NE2-O 2.9Å; T866-G871 VanDerWaalsContact OG1-CA 3.25Å; T866-G871 WeakPolarHBondContact OG1-CA 3.37Å; S868-G871 PolarHBondContact O-N 3.02Å; S868-G871 WeakPolarHBondContact OG-CA 3.34Å; E869-G871 VanDerWaalsContact C-N 3.31Å
872	G	92.2	Very high	90.4	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	16%	0.157	C	C	.	.			trans	-72.8	174.6	-177.8	0	0	0	0	0	113.9	I747 L751 Q865 T866	I747-G872 PolarHBondContact O-N 2.95Å; L751-G872 WeakPolarHBondContact O-CA 3.15Å; Q865-G872 PolarHBondContact NE2-O 3.17Å; T866-G872 WeakPolarHBondContact CB-O 3.36Å; T866-G872 WeakPolarHBondContact CG2-O 3.39Å; T866-G872 PolarHBondContact N-O 3.38Å; T866-G872 VanDerWaalsContact N-O 3.16Å; T866-G872 PolarHBondContact OG1-N 3.24Å; T866-G872 VanDerWaalsContact OG1-N 3.14Å; T866-G872 PolarHBondContact OG1-O 3.02Å
873	R	93.8	Very high	90.3	Very high	27 Å²	27	26.4 Å²	26.4	10%	0.102	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.7	179.3	-72	173.3	179.8	-140.2	-6.8	111.1	S752 L753 Y864 Y902 T903 S906	S752-R873 CarbonylContact C-O 3.41Å; S752-R873 WeakPolarHBondContact CA-O 3.33Å; S752-R873 VanDerWaalsContact CB-O 3.3Å; S752-R873 WeakPolarHBondContact CB-O 3.27Å; S752-R873 PolarHBondContact OG-N 3.05Å; S752-R873 VanDerWaalsContact OG-N 3.16Å; L753-R873 PolarHBondContact N-O 2.91Å; Y864-R873 CarbonylContact O-C 2.88Å; Y864-R873 WeakPolarHBondContact O-CA 3.28Å; R873-Y902 HydrophobicContact CB-CD1 4.19Å; R873-Y902 HydrophobicContact CB-CE1 3.7Å; R873-Y902 WeakPolarHBondContact CD-O 3.4Å; R873-Y902 HydrophobicContact CG-CE1 4.07Å; R873-Y902 PolarHBondContact NH1-O 3.22Å; R873-Y902 VanDerWaalsContact NH1-O 3.16Å; R873-T903 HydrophobicContact CB-CG2 4.23Å; R873-S906 VanDerWaalsContact CZ-O 3.31Å; R873-S906 VanDerWaalsContact NH1-CA 3.28Å; R873-S906 PolarHBondContact NH1-O 3.29Å; R873-S906 VanDerWaalsContact NH1-O 3.13Å; R873-S906 VanDerWaalsContact NH2-C 3.32Å; R873-S906 VanDerWaalsContact NH2-CA 3.27Å; R873-S906 VanDerWaalsContact NH2-CB 3.26Å; R873-S906 PolarHBondContact NH2-O 2.84Å
874	I	95.4	Very high	90.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	179.2	-53.3	178	0	0	0	108.4	I747 L753 W798 M800 Y864 L876	I747-I874 HydrophobicContact CD1-CD1 4.36Å; I747-I874 HydrophobicContact CD1-CG1 4.5Å; I747-I874 HydrophobicContact CG2-CD1 4.4Å; I747-I874 HydrophobicContact CG2-CG1 4.38Å; L753-I874 HydrophobicContact CB-CG1 4.4Å; L753-I874 HydrophobicContact CD2-CG2 4.34Å; L753-I874 CarbonylContact O-C 3.55Å; L753-I874 WeakPolarHBondContact O-CA 3.42Å; W798-I874 HydrophobicContact CB-CD1 4.49Å; W798-I874 HydrophobicContact CD2-CD1 3.55Å; W798-I874 HydrophobicContact CE3-CD1 3.98Å; W798-I874 HydrophobicContact CG-CD1 3.77Å; W798-I874 HydrophobicContact CZ2-CD1 4.21Å; W798-I874 HydrophobicContact CZ3-CD1 4.49Å; M800-I874 HydrophobicContact CE-CB 4.28Å; M800-I874 HydrophobicContact CE-CD1 4.17Å; M800-I874 HydrophobicContact CE-CG2 4.35Å; M800-I874 HydrophobicContact SD-CD1 4.42Å; M800-I874 HydrophobicContact SD-CG2 3.95Å; Y864-I874 HydrophobicContact CD1-CD1 4.35Å; Y864-I874 PolarHBondContact N-O 3.09Å; Y864-I874 PolarHBondContact O-N 3.29Å; I874-L876 HydrophobicContact CG2-CD2 4.01Å; I874-L876 HydrophobicContact CG2-CG 4.39Å
875	A	95.8	Very high	89.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.9	171.7	0	0	0	0	0	110.2	L753 I754 I755 G862 L863 L899	L753-A875 PolarHBondContact O-N 3.31Å; I754-A875 WeakPolarHBondContact CA-O 3.19Å; I754-A875 HydrophobicContact CG1-CB 4.31Å; I755-A875 PolarHBondContact N-O 2.96Å; G862-A875 WeakPolarHBondContact O-CA 3.11Å; L863-A875 HydrophobicContact CD2-CB 3.82Å; A875-L899 HydrophobicContact CB-CD1 4.39Å; A875-L899 HydrophobicContact CB-CD2 4.07Å
876	L	96.3	Very high	89.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128	179.3	-57.8	-174.1	0	0	0	109.9	I755 I795 M800 F802 I826 F829 L861 G862 I874	I755-L876 HydrophobicContact CB-CD2 3.87Å; I755-L876 HydrophobicContact CD1-CD2 3.75Å; I755-L876 HydrophobicContact CG1-CD2 4.14Å; I795-L876 HydrophobicContact CD1-CD1 3.99Å; I795-L876 HydrophobicContact CD1-CD2 4.43Å; M800-L876 HydrophobicContact CB-CD1 4.09Å; M800-L876 HydrophobicContact CG-CD1 4.35Å; M800-L876 HydrophobicContact SD-CD1 3.91Å; M800-L876 HydrophobicContact SD-CG 4.43Å; F802-L876 HydrophobicContact CE1-CB 4.11Å; F802-L876 HydrophobicContact CE2-CD2 4.43Å; F802-L876 HydrophobicContact CZ-CB 3.82Å; F802-L876 HydrophobicContact CZ-CD1 4.25Å; F802-L876 HydrophobicContact CZ-CD2 4.16Å; F802-L876 HydrophobicContact CZ-CG 4.3Å; I826-L876 HydrophobicContact CD1-CB 4.22Å; F829-L876 HydrophobicContact CD2-CD1 4.22Å; F829-L876 HydrophobicContact CE2-CD1 3.88Å; F829-L876 HydrophobicContact CE2-CG 4.26Å; L861-L876 WeakPolarHBondContact CA-O 2.96Å; L861-L876 WeakPolarHBondContact CD1-O 3.36Å; G862-L876 PolarHBondContact N-O 3.01Å; G862-L876 PolarHBondContact O-N 3.2Å; I874-L876 HydrophobicContact CG2-CD2 4.01Å; I874-L876 HydrophobicContact CG2-CG 4.39Å
877	Y	96.2	Very high	88.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.7	171.8	-173.5	-109.5	0	0	0	109.3	I755 F756 S757 Y820 I860 L861 D879 L895	I755-Y877 PolarHBondContact O-N 2.68Å; F756-Y877 WeakPolarHBondContact CA-O 3.3Å; F756-Y877 AromaticContact CD1-CD1 3.56Å; F756-Y877 HydrophobicContact CD1-CD1 3.56Å; F756-Y877 HydrophobicContact CD1-CE1 4.37Å; F756-Y877 HydrophobicContact CD1-CG 4.42Å; F756-Y877 AromaticContact CE1-CD1 3.49Å; F756-Y877 HydrophobicContact CE1-CD1 3.49Å; F756-Y877 VanDerWaalsContact CE1-CD1 3.49Å; F756-Y877 HydrophobicContact CE1-CE1 4.18Å; F756-Y877 HydrophobicContact CE1-CG 4.25Å; F756-Y877 HydrophobicContact CZ-CD1 4.5Å; S757-Y877 PolarHBondContact N-O 3.18Å; Y820-Y877 HydrophobicContact CD2-CE2 4.41Å; Y820-Y877 AromaticContact CD2-CZ 3.98Å; Y820-Y877 WeakPolarHBondContact CD2-OH 3.28Å; Y820-Y877 HydrophobicContact CE2-CE1 4.34Å; Y820-Y877 AromaticContact CE2-CE2 3.9Å; Y820-Y877 HydrophobicContact CE2-CE2 3.9Å; Y820-Y877 AromaticContact CE2-CZ 3.71Å; I860-Y877 HydrophobicContact CD1-CE2 4.46Å; I860-Y877 VanDerWaalsContact O-CD2 3.31Å; I860-Y877 WeakPolarHBondContact O-CD2 3.4Å; L861-Y877 HydrophobicContact CB-CD2 4.21Å; L861-Y877 HydrophobicContact CD1-CD2 4.35Å; Y877-D879 HydrophobicContact CD1-CB 4.44Å; Y877-D879 WeakPolarHBondContact CD1-O 3.3Å; Y877-D879 HydrophobicContact CE1-CB 3.8Å; Y877-D879 WeakPolarHBondContact CE1-O 3.06Å; Y877-L895 HydrophobicContact CD1-CD2 4.28Å; Y877-L895 HydrophobicContact CD2-CD2 3.91Å; Y877-L895 HydrophobicContact CE1-CD2 4.17Å; Y877-L895 HydrophobicContact CE2-CD2 3.78Å; Y877-L895 HydrophobicContact CG-CD2 4.16Å
878	G	93.4	Very high	88.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-93.8	16.2	-167.5	0	0	0	0	0	116.4	S757 Y820 G823 C824	S757-G878 CarbonylContact O-C 3.55Å; S757-G878 VanDerWaalsContact O-O 3.1Å; Y820-G878 WeakPolarHBondContact OH-CA 3.17Å; Y820-G878 PolarHBondContact OH-N 3.3Å; Y820-G878 PolarHBondContact OH-O 3.03Å; G823-G878 CarbonylContact C-O 3.58Å; G823-G878 WeakPolarHBondContact CA-O 3.38Å; C824-G878 PolarHBondContact N-O 3.27Å
879	D	93.4	Very high	88.1	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-140.3	122.8	177.1	167.2	15.1	0	0	0	110.4	F756 S757 Y820 A821 Y877 N881	F756-D879 WeakPolarHBondContact CD1-O 2.94Å; S757-D879 CarbonylContact O-C 3.59Å; S757-D879 WeakPolarHBondContact O-CA 3.36Å; S757-D879 PolarHBondContact O-N 3.35Å; Y820-D879 VanDerWaalsContact CA-OD2 3.31Å; Y820-D879 WeakPolarHBondContact CA-OD2 3.34Å; Y820-D879 HydrophobicContact CD2-CB 3.74Å; Y820-D879 HydrophobicContact CE1-CB 4.37Å; Y820-D879 HydrophobicContact CE2-CB 3.44Å; Y820-D879 VanDerWaalsContact CE2-CB 3.44Å; Y820-D879 HydrophobicContact CG-CB 4.32Å; A821-D879 PolarHBondContact N-OD2 3.37Å; Y877-D879 HydrophobicContact CD1-CB 4.44Å; Y877-D879 WeakPolarHBondContact CD1-O 3.3Å; Y877-D879 HydrophobicContact CE1-CB 3.8Å; Y877-D879 WeakPolarHBondContact CE1-O 3.06Å; D879-N881 WeakPolarHBondContact OD1-CB 3.45Å; D879-N881 PolarHBondContact OD1-N 2.92Å
880	S	91.9	Very high	88.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.			trans	-98.5	-17.9	176.9	87.7	0	0	0	0	114.3	S757 D758 C882 I883 D884	S757-S880 PolarHBondContact O-N 3.24Å; D758-S880 PolarHBondContact OD1-N 2.99Å; D758-S880 WeakPolarHBondContact OD2-CB 3.18Å; D758-S880 PolarHBondContact OD2-OG 2.94Å; S880-C882 PolarHBondContact O-N 2.98Å; S880-I883 WeakPolarHBondContact O-CG1 3.24Å; S880-I883 PolarHBondContact O-N 3.44Å; S880-D884 PolarHBondContact O-N 3.44Å
881	N	90.4	Very high	89.2	Confident	4 Å²	4	22 Å²	22	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.8	-174.2	173.5	97.6	0	0	0	113.1	D674 A821 D879 I883	D674-N881 HydrophobicContact CB-CB 4.24Å; A821-N881 HydrophobicContact CB-CB 3.9Å; A821-N881 VanDerWaalsContact CB-ND2 3.34Å; A821-N881 WeakPolarHBondContact CB-ND2 3.2Å; D879-N881 WeakPolarHBondContact OD1-CB 3.45Å; D879-N881 PolarHBondContact OD1-N 2.92Å; N881-I883 VanDerWaalsContact C-N 3.3Å; N881-I883 PolarHBondContact O-N 2.83Å
882	C	90	Very high	89.5	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.02	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.6	175.3	73.4	0	0	0	0	114.6	S880 R888 C892	S880-C882 PolarHBondContact O-N 2.98Å; C882-R888 WeakPolarHBondContact O-CD 3.32Å; C882-C892 HydrophobicContact CB-CB 3.55Å; C882-C892 WeakPolarHBondContact CB-SG 3.45Å; C882-C892 PolarHBondContact O-N 3.24Å; C882-C892 VanDerWaalsContact O-N 3.12Å; C882-C892 PolarHBondContact O-SG 2.84Å; C882-C892 VanDerWaalsContact O-SG 3.36Å; C882-C892 WeakPolarHBondContact SG-CB 3.37Å; C882-C892 CovalentContact SG-SG 2.02Å; C882-C892 PolarHBondContact SG-SG 2.92Å
883	I	92.5	Very high	89.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-10.8	171.8	52.5	169.9	0	0	0	113.9	F694 M697 V729 F756 S880 N881 C892 F893	F694-I883 HydrophobicContact CD1-CD1 4.47Å; F694-I883 HydrophobicContact CD1-CG1 4.23Å; F694-I883 HydrophobicContact CE1-CD1 4.29Å; F694-I883 HydrophobicContact CE1-CG1 3.96Å; M697-I883 HydrophobicContact CB-CB 4.49Å; M697-I883 HydrophobicContact CG-CB 4.34Å; M697-I883 HydrophobicContact SD-CB 4.2Å; M697-I883 HydrophobicContact SD-CD1 3.83Å; V729-I883 HydrophobicContact CB-CD1 4.49Å; V729-I883 HydrophobicContact CG1-CD1 3.71Å; V729-I883 HydrophobicContact CG1-CG1 4.46Å; V729-I883 HydrophobicContact CG2-CD1 3.92Å; F756-I883 HydrophobicContact CB-CD1 4.29Å; F756-I883 HydrophobicContact CD1-CD1 3.79Å; F756-I883 HydrophobicContact CD1-CG1 4.26Å; F756-I883 HydrophobicContact CD2-CD1 4.09Å; F756-I883 HydrophobicContact CE1-CD1 4.13Å; F756-I883 HydrophobicContact CE1-CG2 4.45Å; F756-I883 HydrophobicContact CE2-CD1 4.38Å; F756-I883 HydrophobicContact CG-CD1 3.8Å; F756-I883 HydrophobicContact CZ-CD1 4.42Å; S880-I883 WeakPolarHBondContact O-CG1 3.24Å; S880-I883 PolarHBondContact O-N 3.44Å; N881-I883 VanDerWaalsContact C-N 3.3Å; N881-I883 PolarHBondContact O-N 2.83Å; I883-C892 WeakPolarHBondContact CG2-SG 3.47Å; I883-F893 HydrophobicContact CB-CE1 4.47Å; I883-F893 HydrophobicContact CG2-CD1 4.12Å; I883-F893 HydrophobicContact CG2-CE1 4.31Å
884	D	90.1	Very high	89.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.109	C	C	.	.			trans	-77.4	142.6	169.2	171.3	29.8	0	0	0	111.6	N693 F694 S880 S886 R888	N693-D884 VanDerWaalsContact CB-OD1 3.27Å; N693-D884 WeakPolarHBondContact CB-OD1 3.28Å; F694-D884 HydrophobicContact CD1-CB 4.42Å; F694-D884 HydrophobicContact CE1-CB 3.86Å; F694-D884 HydrophobicContact CZ-CB 4.27Å; S880-D884 PolarHBondContact O-N 3.44Å; D884-S886 WeakPolarHBondContact OD1-CB 3.38Å; D884-S886 PolarHBondContact OD1-N 2.94Å; D884-S886 PolarHBondContact OD1-OG 3.38Å; D884-S886 WeakPolarHBondContact OD2-CB 3.48Å; D884-S886 PolarHBondContact OD2-N 2.95Å; D884-S886 PolarHBondContact OD2-OG 2.86Å; D884-R888 VanDerWaalsContact O-CB 3.25Å; D884-R888 WeakPolarHBondContact O-CB 3.32Å; D884-R888 WeakPolarHBondContact O-CD 3.49Å
885	D	85	Confident	89.4	Confident	29 Å²	29	23.1 Å²	23.1	16%	0.155	11%	0.109	C	C	.	.	S	Bend	trans	-87.4	-17.3	177.7	-67	-30.5	0	0	0	113.8	L375 N693 R695 D696 H887 R888	L375-D885 HydrophobicContact CD1-CB 3.92Å; N693-D885 WeakPolarHBondContact O-CB 3.46Å; N693-D885 VanDerWaalsContact O-CG 3.28Å; N693-D885 PolarHBondContact O-N 3.13Å; R695-D885 PolarHBondContact N-OD2 2.71Å; D696-D885 WeakPolarHBondContact CB-OD1 3.48Å; D696-D885 WeakPolarHBondContact CB-OD2 3.31Å; D696-D885 VanDerWaalsContact CG-OD1 3.27Å; D696-D885 VanDerWaalsContact CG-OD2 3.26Å; D696-D885 PolarHBondContact N-OD2 2.88Å; D696-D885 VanDerWaalsContact OD2-OD1 3.11Å; D885-H887 PolarHBondContact O-N 3.21Å; D885-R888 IonicContact OD1-CZ 2.63Å; D885-R888 IonicContact OD1-NH1 2.6Å; D885-R888 PolarHBondContact OD1-NH1 3.35Å; D885-R888 IonicContact OD1-NH2 2.7Å; D885-R888 PolarHBondContact OD1-NH2 2.59Å; D885-R888 VanDerWaalsContact OD1-NH2 3.1Å
886	S	78.4	Confident	89.4	Confident	21 Å²	21	23.1 Å²	23.1	15%	0.147	11%	0.109	C	C	.	.	S	Bend	trans	-64.2	-47	-169.1	-50.5	0	0	0	0	112.2	N686 N693 D884	N686-S886 PolarHBondContact ND2-OG 3.5Å; N686-S886 VanDerWaalsContact ND2-OG 3.08Å; N693-S886 WeakPolarHBondContact CB-OG 3.49Å; D884-S886 WeakPolarHBondContact OD1-CB 3.38Å; D884-S886 PolarHBondContact OD1-N 2.94Å; D884-S886 PolarHBondContact OD1-OG 3.38Å; D884-S886 WeakPolarHBondContact OD2-CB 3.48Å; D884-S886 PolarHBondContact OD2-N 2.95Å; D884-S886 PolarHBondContact OD2-OG 2.86Å
887	H	73.8	Confident	89.2	Confident	45 Å²	45	24 Å²	24	21%	0.208	11%	0.114	C	C	.	.	S	Bend	trans	-135.2	26.6	-176.3	-56.7	-67	0	0	0	113.7	R673 M678 D885 Q889	R673-H887 PolarHBondContact NH1-CE1 3.32Å; R673-H887 PolarHBondContact NH1-NE2 2.96Å; M678-H887 WeakPolarHBondContact CE-ND1 3.28Å; D885-H887 PolarHBondContact O-N 3.21Å; H887-Q889 PolarHBondContact O-N 3.31Å
888	R	79.1	Confident	89	Confident	66 Å²	66	24.3 Å²	24.3	25%	0.249	12%	0.116	C	C	.	.			trans	-59.4	119.5	-177.8	-156.5	163.1	58.6	-148.6	-10.5	112.3	D696 C882 D884 D885	D696-R888 IonicContact OD2-CZ 3.61Å; D696-R888 IonicContact OD2-NH2 3.7Å; D696-R888 PolarHBondContact OD2-NH2 3.42Å; C882-R888 WeakPolarHBondContact O-CD 3.32Å; D884-R888 VanDerWaalsContact O-CB 3.25Å; D884-R888 WeakPolarHBondContact O-CB 3.32Å; D884-R888 WeakPolarHBondContact O-CD 3.49Å; D885-R888 IonicContact OD1-CZ 2.63Å; D885-R888 IonicContact OD1-NH1 2.6Å; D885-R888 PolarHBondContact OD1-NH1 3.35Å; D885-R888 IonicContact OD1-NH2 2.7Å; D885-R888 PolarHBondContact OD1-NH2 2.59Å; D885-R888 VanDerWaalsContact OD1-NH2 3.1Å
889	Q	80.9	Confident	89	Confident	109 Å²	109	24.3 Å²	24.3	51%	0.509	12%	0.116	S	C	.	.	S	Bend	trans	-85	-48.5	168.4	-64.2	-173.2	21.9	0	0	111.4	H887	H887-Q889 PolarHBondContact O-N 3.31Å
890	K	88.5	Confident	89	Confident	70 Å²	70	24.3 Å²	24.3	30%	0.304	12%	0.116	S	C	.	.	S	Bend	trans	-136.9	136.2	179	-66.1	179.1	-178.9	166.6	0	108.8	D810 D817	D810-K890 IonicContact OD1-NZ 2.94Å; D810-K890 PolarHBondContact OD1-NZ 2.85Å; D817-K890 HydrophobicContact CB-CD 4.41Å
891	D	90.2	Very high	89	Confident	76 Å²	76	28.4 Å²	28.4	41%	0.406	14%	0.135	S	C	.	.			trans	-80.5	146.4	177.1	65.4	95.2	0	0	0	112.6	F893	D891-F893 HydrophobicContact CB-CD2 4.22Å; D891-F893 HydrophobicContact CB-CE2 4.4Å; D891-F893 HydrophobicContact CB-CG 4.43Å
892	C	92.3	Very high	89.1	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.135	C	C	.	.			trans	-118	26.9	175	67.9	0	0	0	0	112.6	M818 C882 I883 W894 L895 L896	M818-C892 HydrophobicContact CE-CB 3.46Å; M818-C892 VanDerWaalsContact CE-CB 3.46Å; C882-C892 HydrophobicContact CB-CB 3.55Å; C882-C892 WeakPolarHBondContact CB-SG 3.45Å; C882-C892 PolarHBondContact O-N 3.24Å; C882-C892 VanDerWaalsContact O-N 3.12Å; C882-C892 PolarHBondContact O-SG 2.84Å; C882-C892 VanDerWaalsContact O-SG 3.36Å; C882-C892 WeakPolarHBondContact SG-CB 3.37Å; C882-C892 CovalentContact SG-SG 2.02Å; C882-C892 PolarHBondContact SG-SG 2.92Å; I883-C892 WeakPolarHBondContact CG2-SG 3.47Å; C892-W894 PolarHBondContact O-N 3.42Å; C892-W894 VanDerWaalsContact O-N 3.15Å; C892-L895 HydrophobicContact CB-CB 4.27Å; C892-L895 WeakPolarHBondContact O-CA 3.1Å; C892-L895 VanDerWaalsContact O-CB 3.32Å; C892-L895 WeakPolarHBondContact O-CB 3.26Å; C892-L895 PolarHBondContact O-N 3.39Å; C892-L896 PolarHBondContact O-N 2.98Å
893	F	93.5	Very high	89.1	Confident	22 Å²	22	28.8 Å²	28.8	10%	0.096	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-31.9	179.2	-64.8	-24.7	0	0	0	113.3	D696 M697 H700 I883 D891 L895 L896 D897	D696-F893 HydrophobicContact CB-CE2 4.18Å; D696-F893 HydrophobicContact CB-CZ 3.76Å; M697-F893 HydrophobicContact CB-CE1 3.76Å; M697-F893 HydrophobicContact CB-CZ 4.37Å; M697-F893 HydrophobicContact CG-CE1 4.34Å; H700-F893 HydrophobicContact CB-CD2 4.04Å; H700-F893 HydrophobicContact CB-CE2 4.27Å; H700-F893 HydrophobicContact CB-CG 4.24Å; H700-F893 AromaticContact CG-CD2 3.97Å; H700-F893 AromaticContact CG-CG 3.95Å; I883-F893 HydrophobicContact CB-CE1 4.47Å; I883-F893 HydrophobicContact CG2-CD1 4.12Å; I883-F893 HydrophobicContact CG2-CE1 4.31Å; D891-F893 HydrophobicContact CB-CD2 4.22Å; D891-F893 HydrophobicContact CB-CE2 4.4Å; D891-F893 HydrophobicContact CB-CG 4.43Å; F893-L895 VanDerWaalsContact C-N 3.28Å; F893-L895 PolarHBondContact O-N 3.34Å; F893-L896 PolarHBondContact O-N 3.35Å; F893-D897 PolarHBondContact O-N 3.07Å
894	W	92.8	Very high	88.8	Confident	38 Å²	38	29.8 Å²	29.8	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-35.4	173.6	76.5	-94.9	0	0	0	112.4	L813 A814 H816 M818 C892 D897 A898	L813-W894 HydrophobicContact CB-CH2 4.01Å; L813-W894 HydrophobicContact CB-CZ2 4.06Å; L813-W894 HydrophobicContact CD2-CH2 3.72Å; L813-W894 HydrophobicContact CD2-CZ2 4.22Å; L813-W894 HydrophobicContact CG-CH2 3.75Å; L813-W894 HydrophobicContact CG-CZ2 4.28Å; L813-W894 WeakPolarHBondContact O-CH2 3.38Å; L813-W894 WeakPolarHBondContact O-CZ2 3.19Å; A814-W894 HydrophobicContact CB-CH2 4.19Å; A814-W894 HydrophobicContact CB-CZ3 4.28Å; H816-W894 HydrophobicContact CB-CD2 4.15Å; H816-W894 VanDerWaalsContact CB-CE2 3.46Å; H816-W894 HydrophobicContact CB-CG 4.43Å; H816-W894 HydrophobicContact CB-CZ2 3.71Å; H816-W894 AromaticContact CD2-CD2 3.72Å; H816-W894 AromaticContact CD2-CE2 3.92Å; H816-W894 AromaticContact CG-CD1 3.86Å; H816-W894 AromaticContact CG-CD2 3.85Å; H816-W894 AromaticContact CG-CE2 3.7Å; H816-W894 AromaticContact CG-CG 3.94Å; H816-W894 AromaticContact CG-NE1 3.7Å; H816-W894 AromaticContact ND1-CD1 3.92Å; M818-W894 HydrophobicContact CE-CZ2 4.45Å; M818-W894 HydrophobicContact CG-CZ2 4.06Å; M818-W894 HydrophobicContact SD-CH2 4.29Å; M818-W894 HydrophobicContact SD-CZ2 3.33Å; M818-W894 WeakPolarHBondContact SD-CZ2 3.33Å; C892-W894 PolarHBondContact O-N 3.42Å; C892-W894 VanDerWaalsContact O-N 3.15Å; W894-D897 PolarHBondContact O-N 3.39Å; W894-A898 WeakPolarHBondContact O-CB 3.45Å; W894-A898 PolarHBondContact O-N 3.33Å
895	L	93.4	Very high	88.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-47.7	177.6	175.1	61.7	0	0	0	108.5	L813 M818 L861 Y877 C892 F893 D897 A898 L899	L813-L895 HydrophobicContact CD2-CD1 4.42Å; M818-L895 HydrophobicContact CE-CB 4.32Å; M818-L895 HydrophobicContact CE-CD2 3.71Å; L861-L895 HydrophobicContact CD2-CD1 3.99Å; Y877-L895 HydrophobicContact CD1-CD2 4.28Å; Y877-L895 HydrophobicContact CD2-CD2 3.91Å; Y877-L895 HydrophobicContact CE1-CD2 4.17Å; Y877-L895 HydrophobicContact CE2-CD2 3.78Å; Y877-L895 HydrophobicContact CG-CD2 4.16Å; C892-L895 HydrophobicContact CB-CB 4.27Å; C892-L895 WeakPolarHBondContact O-CA 3.1Å; C892-L895 VanDerWaalsContact O-CB 3.32Å; C892-L895 WeakPolarHBondContact O-CB 3.26Å; C892-L895 PolarHBondContact O-N 3.39Å; F893-L895 VanDerWaalsContact C-N 3.28Å; F893-L895 PolarHBondContact O-N 3.34Å; L895-D897 VanDerWaalsContact C-N 3.26Å; L895-D897 PolarHBondContact O-N 2.84Å; L895-A898 CarbonylContact O-C 3.6Å; L895-A898 WeakPolarHBondContact O-CA 3.11Å; L895-A898 WeakPolarHBondContact O-CB 3.43Å; L895-A898 PolarHBondContact O-N 3.43Å; L895-L899 HydrophobicContact CD1-CD2 4.2Å; L895-L899 HydrophobicContact CD1-CG 4.18Å; L895-L899 HydrophobicContact CG-CD1 4.29Å; L895-L899 HydrophobicContact CG-CG 4.31Å; L895-L899 VanDerWaalsContact O-CG 3.32Å; L895-L899 WeakPolarHBondContact O-CG 3.25Å; L895-L899 PolarHBondContact O-N 2.97Å
896	L	94.3	Very high	88.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.3	-43.1	174.2	-179.9	60.4	0	0	0	111.7	M697 L701 L727 F756 C892 F893 A898 L899 L900	M697-L896 HydrophobicContact CG-CD2 3.58Å; M697-L896 HydrophobicContact SD-CD2 3.96Å; L701-L896 HydrophobicContact CD1-CD2 4.32Å; L701-L896 HydrophobicContact CD2-CD2 3.86Å; L701-L896 HydrophobicContact CD2-CG 4.23Å; L701-L896 HydrophobicContact CG-CD2 4.21Å; L727-L896 HydrophobicContact CD1-CD1 4.39Å; F756-L896 HydrophobicContact CE2-CD1 3.88Å; F756-L896 HydrophobicContact CZ-CD1 4.24Å; C892-L896 PolarHBondContact O-N 2.98Å; F893-L896 PolarHBondContact O-N 3.35Å; L896-A898 VanDerWaalsContact C-N 3.34Å; L896-A898 PolarHBondContact O-N 2.93Å; L896-L899 PolarHBondContact O-N 3.06Å; L896-L900 HydrophobicContact CD1-CD1 4.27Å; L896-L900 HydrophobicContact CD1-CG 4.34Å; L896-L900 HydrophobicContact CG-CD1 4.13Å; L896-L900 WeakPolarHBondContact O-CB 3.3Å; L896-L900 WeakPolarHBondContact O-CG 3.41Å; L896-L900 PolarHBondContact O-N 3.06Å
897	D	92.5	Very high	88.2	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.102	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-41.9	174.1	-73.5	-24.2	0	0	0	112.5	H700 F893 W894 L895 L900 Q901	H700-D897 IonicContact CD2-OD1 3.71Å; H700-D897 IonicContact CE1-OD2 3.86Å; H700-D897 PolarHBondContact CE1-OD2 3.25Å; H700-D897 IonicContact NE2-OD1 3.48Å; H700-D897 PolarHBondContact NE2-OD1 3.22Å; H700-D897 IonicContact NE2-OD2 2.79Å; H700-D897 PolarHBondContact NE2-OD2 3.24Å; F893-D897 PolarHBondContact O-N 3.07Å; W894-D897 PolarHBondContact O-N 3.39Å; L895-D897 VanDerWaalsContact C-N 3.26Å; L895-D897 PolarHBondContact O-N 2.84Å; D897-L900 PolarHBondContact O-N 2.97Å; D897-Q901 WeakPolarHBondContact O-CB 3.32Å; D897-Q901 VanDerWaalsContact O-CG 3.26Å; D897-Q901 WeakPolarHBondContact O-CG 3.41Å; D897-Q901 PolarHBondContact O-N 3.06Å
898	A	92.2	Very high	88.4	Confident	6 Å²	6	42.1 Å²	42.1	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.6	0	0	0	0	0	111.6	W894 L895 L896 Q901 Y902 P909 L912	W894-A898 WeakPolarHBondContact O-CB 3.45Å; W894-A898 PolarHBondContact O-N 3.33Å; L895-A898 CarbonylContact O-C 3.6Å; L895-A898 WeakPolarHBondContact O-CA 3.11Å; L895-A898 WeakPolarHBondContact O-CB 3.43Å; L895-A898 PolarHBondContact O-N 3.43Å; L896-A898 VanDerWaalsContact C-N 3.34Å; L896-A898 PolarHBondContact O-N 2.93Å; A898-Q901 PolarHBondContact O-N 2.98Å; A898-Y902 WeakPolarHBondContact O-CB 3.5Å; A898-Y902 PolarHBondContact O-N 3.31Å; A898-P909 HydrophobicContact CB-CB 4.41Å; A898-P909 HydrophobicContact CB-CG 3.98Å; A898-P909 WeakPolarHBondContact O-CG 3.47Å; A898-L912 HydrophobicContact CB-CD1 4.06Å
899	L	94.3	Very high	88.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-39.9	175.8	-59.9	-174.7	0	0	0	111.7	I754 F756 L861 L863 A875 L895 L896 Q901 Y902 T903	I754-L899 HydrophobicContact CD1-CB 3.86Å; I754-L899 HydrophobicContact CG2-CD1 4.08Å; F756-L899 HydrophobicContact CE2-CD1 4.08Å; F756-L899 HydrophobicContact CZ-CD1 3.95Å; L861-L899 HydrophobicContact CD1-CD2 3.87Å; L863-L899 HydrophobicContact CD2-CD2 3.65Å; A875-L899 HydrophobicContact CB-CD1 4.39Å; A875-L899 HydrophobicContact CB-CD2 4.07Å; L895-L899 HydrophobicContact CD1-CD2 4.2Å; L895-L899 HydrophobicContact CD1-CG 4.18Å; L895-L899 HydrophobicContact CG-CD1 4.29Å; L895-L899 HydrophobicContact CG-CG 4.31Å; L895-L899 VanDerWaalsContact O-CG 3.32Å; L895-L899 WeakPolarHBondContact O-CG 3.25Å; L895-L899 PolarHBondContact O-N 2.97Å; L896-L899 PolarHBondContact O-N 3.06Å; L899-Q901 VanDerWaalsContact C-N 3.34Å; L899-Y902 WeakPolarHBondContact O-CB 3.37Å; L899-Y902 PolarHBondContact O-N 2.8Å; L899-T903 WeakPolarHBondContact O-CB 3.39Å; L899-T903 WeakPolarHBondContact O-CG2 3.39Å; L899-T903 PolarHBondContact O-N 2.93Å; L899-T903 PolarHBondContact O-OG1 3.23Å
900	L	93.8	Very high	87.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-37.9	173.5	-75.3	171.2	0	0	0	111.8	V656 L701 Y706 T725 I754 L896 D897 T903 S904	V656-L900 HydrophobicContact CG2-CD2 3.82Å; L701-L900 HydrophobicContact CD2-CD1 3.31Å; Y706-L900 HydrophobicContact CD2-CD1 4.27Å; Y706-L900 HydrophobicContact CE1-CB 4.41Å; Y706-L900 HydrophobicContact CE1-CD1 4.47Å; Y706-L900 HydrophobicContact CE2-CD1 3.99Å; T725-L900 HydrophobicContact CG2-CD2 4.14Å; I754-L900 HydrophobicContact CD1-CD2 3.79Å; I754-L900 HydrophobicContact CD1-CG 4.08Å; L896-L900 HydrophobicContact CD1-CD1 4.27Å; L896-L900 HydrophobicContact CD1-CG 4.34Å; L896-L900 HydrophobicContact CG-CD1 4.13Å; L896-L900 WeakPolarHBondContact O-CB 3.3Å; L896-L900 WeakPolarHBondContact O-CG 3.41Å; L896-L900 PolarHBondContact O-N 3.06Å; D897-L900 PolarHBondContact O-N 2.97Å; L900-T903 WeakPolarHBondContact CA-OG1 3.48Å; L900-T903 PolarHBondContact O-N 3.3Å; L900-T903 PolarHBondContact O-OG1 3.44Å; L900-S904 WeakPolarHBondContact O-CB 3.34Å; L900-S904 PolarHBondContact O-N 2.75Å; L900-S904 PolarHBondContact O-OG 3.05Å
901	Q	91.1	Very high	86.8	Confident	86 Å²	86	37.5 Å²	37.5	40%	0.402	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-43.6	173.2	-76.2	174.2	33.6	0	0	112	D897 A898 L899 Y905	D897-Q901 WeakPolarHBondContact O-CB 3.32Å; D897-Q901 VanDerWaalsContact O-CG 3.26Å; D897-Q901 WeakPolarHBondContact O-CG 3.41Å; D897-Q901 PolarHBondContact O-N 3.06Å; A898-Q901 PolarHBondContact O-N 2.98Å; L899-Q901 VanDerWaalsContact C-N 3.34Å; Q901-Y905 PolarHBondContact O-N 2.84Å
902	Y	91.8	Very high	86.2	Confident	8 Å²	8	34 Å²	34	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-50.5	176	175.4	-109.4	0	0	0	112	L863 Y864 Q865 R873 A898 L899 M907	L863-Y902 HydrophobicContact CB-CD1 4.48Å; L863-Y902 HydrophobicContact CB-CE1 3.85Å; L863-Y902 HydrophobicContact CB-CE2 4.35Å; L863-Y902 HydrophobicContact CD2-CD1 3.91Å; L863-Y902 HydrophobicContact CD2-CE1 4.05Å; L863-Y902 HydrophobicContact CD2-CG 4.41Å; L863-Y902 HydrophobicContact CG-CE1 4.45Å; Y864-Y902 PolarHBondContact N-OH 3.18Å; Y864-Y902 PolarHBondContact O-OH 3.3Å; Q865-Y902 PolarHBondContact N-OH 2.85Å; R873-Y902 HydrophobicContact CB-CD1 4.19Å; R873-Y902 HydrophobicContact CB-CE1 3.7Å; R873-Y902 WeakPolarHBondContact CD-O 3.4Å; R873-Y902 HydrophobicContact CG-CE1 4.07Å; R873-Y902 PolarHBondContact NH1-O 3.22Å; R873-Y902 VanDerWaalsContact NH1-O 3.16Å; A898-Y902 WeakPolarHBondContact O-CB 3.5Å; A898-Y902 PolarHBondContact O-N 3.31Å; L899-Y902 WeakPolarHBondContact O-CB 3.37Å; L899-Y902 PolarHBondContact O-N 2.8Å; Y902-M907 VanDerWaalsContact CA-O 3.28Å; Y902-M907 WeakPolarHBondContact CA-O 3.5Å
903	T	90.8	Very high	85	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-73.7	-33.9	-176.4	50.9	0	0	0	0	113.6	T725 S752 I754 R873 L899 L900	T725-T903 PolarHBondContact OG1-OG1 3.43Å; S752-T903 VanDerWaalsContact CB-CB 3.44Å; S752-T903 PolarHBondContact OG-O 2.88Å; I754-T903 HydrophobicContact CD1-CG2 4.09Å; I754-T903 HydrophobicContact CG1-CG2 3.76Å; R873-T903 HydrophobicContact CB-CG2 4.23Å; L899-T903 WeakPolarHBondContact O-CB 3.39Å; L899-T903 WeakPolarHBondContact O-CG2 3.39Å; L899-T903 PolarHBondContact O-N 2.93Å; L899-T903 PolarHBondContact O-OG1 3.23Å; L900-T903 WeakPolarHBondContact CA-OG1 3.48Å; L900-T903 PolarHBondContact O-N 3.3Å; L900-T903 PolarHBondContact O-OG1 3.44Å
904	S	85.8	Confident	83.4	Confident	21 Å²	21	42.4 Å²	42.4	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-95	-34	-170.7	-56.4	0	0	0	0	114.5	S653 L900	S653-S904 WeakPolarHBondContact O-CB 2.91Å; S653-S904 PolarHBondContact O-OG 3.03Å; L900-S904 WeakPolarHBondContact O-CB 3.34Å; L900-S904 PolarHBondContact O-N 2.75Å; L900-S904 PolarHBondContact O-OG 3.05Å
905	Y	83.8	Confident	82	Confident	97 Å²	97	41.6 Å²	41.6	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-111.7	3.9	-174.8	-62.2	-82.1	0	0	0	113.5	K654 Q901 M907	K654-Y905 VanDerWaalsContact CE-OH 3.29Å; K654-Y905 WeakPolarHBondContact CE-OH 3.48Å; Q901-Y905 PolarHBondContact O-N 2.84Å; Y905-M907 WeakPolarHBondContact O-CG 3.28Å; Y905-M907 PolarHBondContact O-N 2.82Å; Y905-M907 VanDerWaalsContact O-N 3.15Å
906	S	78.3	Confident	80.6	Confident	77 Å²	77	50.9 Å²	50.9	54%	0.538	27%	0.273	S	S	.	.	S	Bend	trans	58.6	22.2	-175.5	-69.9	0	0	0	0	115	R873	R873-S906 VanDerWaalsContact CZ-O 3.31Å; R873-S906 VanDerWaalsContact NH1-CA 3.28Å; R873-S906 PolarHBondContact NH1-O 3.29Å; R873-S906 VanDerWaalsContact NH1-O 3.13Å; R873-S906 VanDerWaalsContact NH2-C 3.32Å; R873-S906 VanDerWaalsContact NH2-CA 3.27Å; R873-S906 VanDerWaalsContact NH2-CB 3.26Å; R873-S906 PolarHBondContact NH2-O 2.84Å
907	M	78.8	Confident	79.7	Confident	130 Å²	130	52.4 Å²	52.4	64%	0.64	28%	0.283	S	S	*	.			trans	-106.9	120.7	-178.9	-63.7	-178	78.3	0	0	110.1	Y902 Y905 P909	Y902-M907 VanDerWaalsContact CA-O 3.28Å; Y902-M907 WeakPolarHBondContact CA-O 3.5Å; Y905-M907 WeakPolarHBondContact O-CG 3.28Å; Y905-M907 PolarHBondContact O-N 2.82Å; Y905-M907 VanDerWaalsContact O-N 3.15Å; M907-P909 VanDerWaalsContact O-CD 3.26Å; M907-P909 WeakPolarHBondContact O-CD 3.5Å
908	T	77.5	Confident	79.3	Confident	51 Å²	51	58 Å²	58	31%	0.313	30%	0.303	S	S	.	.			trans	-72.9	118.4	168.6	-47.6	0	0	0	0	108.5	I834	I834-T908 HydrophobicContact CD1-CG2 4.04Å
909	P	75.1	Confident	78.9	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.026	32%	0.321	C	S	.	.			trans	-57.2	132.8	-179.4	-25.9	35.6	0	0	0	110.6	A898 M907 S911 L912 S913	A898-P909 HydrophobicContact CB-CB 4.41Å; A898-P909 HydrophobicContact CB-CG 3.98Å; A898-P909 WeakPolarHBondContact O-CG 3.47Å; M907-P909 VanDerWaalsContact O-CD 3.26Å; M907-P909 WeakPolarHBondContact O-CD 3.5Å; P909-S911 WeakPolarHBondContact CB-OG 3.34Å; P909-S911 PolarHBondContact O-N 2.86Å; P909-S911 VanDerWaalsContact O-N 3.1Å; P909-L912 HydrophobicContact CB-CD1 4.41Å; P909-L912 HydrophobicContact CB-CG 4.4Å; P909-L912 HydrophobicContact CG-CD1 4.14Å; P909-L912 PolarHBondContact O-N 3.37Å; P909-S913 PolarHBondContact O-N 3.2Å
910	P	70.4	Confident	78.4	Confident	93 Å²	93	64.8 Å²	64.8	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-54.6	-32.5	179.5	-27.7	34.4	0	0	0	113.5	L912 S913 H914	P910-L912 VanDerWaalsContact C-N 3.28Å; P910-L912 PolarHBondContact O-N 3.5Å; P910-S913 VanDerWaalsContact CA-OG 3.3Å; P910-S913 WeakPolarHBondContact CA-OG 3.21Å; P910-S913 PolarHBondContact O-N 2.89Å; P910-S913 PolarHBondContact O-OG 3.26Å; P910-H914 PolarHBondContact O-CD2 3.47Å; P910-H914 VanDerWaalsContact O-CD2 3.27Å; P910-H914 PolarHBondContact O-N 2.66Å; P910-H914 VanDerWaalsContact O-N 3.11Å
911	S	71.1	Confident	78	Confident	51 Å²	51	66.3 Å²	66.3	36%	0.357	36%	0.362	S	S	.	.	H	α-helix	trans	-56.2	-37.9	173.4	38.7	0	0	0	0	113.5	A814 P909	A814-S911 VanDerWaalsContact CB-CB 3.42Å; P909-S911 WeakPolarHBondContact CB-OG 3.34Å; P909-S911 PolarHBondContact O-N 2.86Å; P909-S911 VanDerWaalsContact O-N 3.1Å
912	L	76.7	Confident	77.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-92.5	-30.4	-179.6	-61.6	176.8	0	0	0	111.7	L813 I836 L861 L863 A898 P909 P910	L813-L912 HydrophobicContact CD2-CD2 4.17Å; L813-L912 HydrophobicContact CG-CD2 4.4Å; I836-L912 HydrophobicContact CD1-CB 4.36Å; I836-L912 HydrophobicContact CD1-CD2 3.9Å; L861-L912 HydrophobicContact CD2-CD1 4.44Å; L861-L912 HydrophobicContact CD2-CD2 4.03Å; L863-L912 HydrophobicContact CD1-CD1 4.16Å; A898-L912 HydrophobicContact CB-CD1 4.06Å; P909-L912 HydrophobicContact CB-CD1 4.41Å; P909-L912 HydrophobicContact CB-CG 4.4Å; P909-L912 HydrophobicContact CG-CD1 4.14Å; P909-L912 PolarHBondContact O-N 3.37Å; P910-L912 VanDerWaalsContact C-N 3.28Å; P910-L912 PolarHBondContact O-N 3.5Å
913	S	67.1	Low	77	Confident	45 Å²	45	67.9 Å²	67.9	32%	0.315	39%	0.388	S	S	.	.	H	α-helix	trans	-73.4	-30.6	-180	68	0	0	0	0	114	P909 P910	P909-S913 PolarHBondContact O-N 3.2Å; P910-S913 VanDerWaalsContact CA-OG 3.3Å; P910-S913 WeakPolarHBondContact CA-OG 3.21Å; P910-S913 PolarHBondContact O-N 2.89Å; P910-S913 PolarHBondContact O-OG 3.26Å
914	H	60.5	Low	75.9	Confident	153 Å²	153	68.2 Å²	68.2	71%	0.708	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	9.8	-178.8	-65	-63.3	0	0	0	114.1	P910 H916	P910-H914 PolarHBondContact O-CD2 3.47Å; P910-H914 VanDerWaalsContact O-CD2 3.27Å; P910-H914 PolarHBondContact O-N 2.66Å; P910-H914 VanDerWaalsContact O-N 3.11Å; H914-H916 PolarHBondContact O-N 3.07Å
915	S	63.3	Low	74.6	Confident	21 Å²	21	71.9 Å²	71.9	15%	0.147	43%	0.425	C	S	.	.			trans	-63.2	124.5	179.7	-177.8	0	0	0	0	110.9	S917 R918	S915-S917 PolarHBondContact O-N 3.43Å; S915-S917 PolarHBondContact OG-N 3.11Å; S915-R918 PolarHBondContact O-N 3.37Å
916	H	63.8	Low	73.4	Confident	196 Å²	196	76.2 Å²	76.2	91%	0.907	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-5.6	172.5	-67.7	-68.4	0	0	0	113.8	H914	H914-H916 PolarHBondContact O-N 3.07Å
917	S	76	Confident	72.8	Confident	31 Å²	31	76 Å²	76	22%	0.217	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	16	-174.6	-56.9	0	0	0	0	113.5	A837 K838 S915	A837-S917 PolarHBondContact N-O 3.32Å; A837-S917 VanDerWaalsContact O-CB 3.3Å; A837-S917 WeakPolarHBondContact O-CB 3.48Å; K838-S917 PolarHBondContact NZ-OG 3.49Å; S915-S917 PolarHBondContact O-N 3.43Å; S915-S917 PolarHBondContact OG-N 3.11Å
918	R	82.9	Confident	72.6	Confident	137 Å²	137	73.9 Å²	73.9	52%	0.517	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.2	174.8	-172.4	177.5	177.4	173.9	-0.6	110.3	I834 V835 S915	I834-R918 HydrophobicContact CG2-CG 4.36Å; V835-R918 WeakPolarHBondContact O-CA 3.38Å; S915-R918 PolarHBondContact O-N 3.37Å
919	V	84.9	Confident	73.1	Confident	71 Å²	71	74 Å²	74	43%	0.43	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.6	179.7	-165.9	0	0	0	0	109.5	V835 A837	V835-V919 PolarHBondContact O-N 3.46Å; A837-V919 HydrophobicContact CB-CB 4.25Å; A837-V919 HydrophobicContact CB-CG2 3.39Å
920	A	84.1	Confident	73.9	Confident	78 Å²	78	74.5 Å²	74.5	65%	0.645	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.9	138.1	170.8	0	0	0	0	0	110.1
921	P	85.1	Confident	74.8	Confident	33 Å²	33	77.4 Å²	77.4	21%	0.214	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-56.9	135.7	175.9	-28.1	37.9	0	0	0	111.9	F829 P830 V835 A923	F829-P921 HydrophobicContact CB-CB 4.21Å; F829-P921 WeakPolarHBondContact O-CB 3.32Å; P830-P921 WeakPolarHBondContact O-CB 3.33Å; P830-P921 VanDerWaalsContact O-CG 3.25Å; P830-P921 WeakPolarHBondContact O-CG 3.49Å; V835-P921 HydrophobicContact CG2-CB 4.13Å; V835-P921 HydrophobicContact CG2-CG 4.23Å; P921-A923 PolarHBondContact O-N 3.19Å
922	P	84.9	Confident	75.7	Confident	33 Å²	33	79.8 Å²	79.8	21%	0.214	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-73.5	129	-179.4	29.1	-33.6	0	0	0	110.8	I826 A827 R828 F829 G924	I826-P922 HydrophobicContact CG2-CG 4.44Å; I826-P922 WeakPolarHBondContact O-CG 3.42Å; A827-P922 WeakPolarHBondContact O-CB 3.33Å; R828-P922 WeakPolarHBondContact CA-O 3.34Å; F829-P922 HydrophobicContact CB-CG 4.36Å; F829-P922 PolarHBondContact N-O 2.99Å; P922-G924 VanDerWaalsContact C-N 3.31Å; P922-G924 PolarHBondContact O-N 2.8Å
923	A	77.1	Confident	76.2	Confident	94 Å²	94	80.4 Å²	80.4	78%	0.777	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-83	-0.7	-178.5	0	0	0	0	0	114.1	P921 A925	P921-A923 PolarHBondContact O-N 3.19Å; A923-A925 PolarHBondContact O-N 3.37Å
924	G	66.4	Low	76.9	Confident	14 Å²	14	86.3 Å²	86.3	14%	0.144	47%	0.469	C	S	.	.	S	Bend	trans	79.8	8.3	174.6	0	0	0	0	0	117.8	A827 R828 P922	A827-G924 WeakPolarHBondContact O-CA 3.36Å; A827-G924 PolarHBondContact O-N 2.96Å; R828-G924 VanDerWaalsContact CG-CA 3.42Å; P922-G924 VanDerWaalsContact C-N 3.31Å; P922-G924 PolarHBondContact O-N 2.8Å
925	A	58.8	Low	77.7	Confident	98 Å²	98	82 Å²	82	81%	0.81	47%	0.467	S	S	*	.	S	Bend	trans	-85.7	-18.2	-178.3	0	0	0	0	0	114.1	A923	A923-A925 PolarHBondContact O-N 3.37Å
926	E	58.7	Low	78.5	Confident	188 Å²	188	82.5 Å²	82.5	88%	0.879	47%	0.467	S	S	*	.	S	Bend	trans	-105.6	-15.9	-169.4	-63.6	-173.5	169.9	0	0	114.5
927	Q	65.4	Low	79.4	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	44%	0.44	S	S	.	.	S	Bend	trans	-128.2	131.3	-176.4	-68	-177.6	-8.7	0	0	111.4
928	P	74.2	Confident	79.9	Confident	87 Å²	87	75.2 Å²	75.2	57%	0.565	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-66.2	145.1	176.2	29.1	-33.3	0	0	0	110.6
929	L	89.1	Confident	80	Confident	54 Å²	54	71.5 Å²	71.5	28%	0.283	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-79	145.6	171.3	-64.5	-177.5	0	0	0	110	A801 A827 Q931	A801-L929 HydrophobicContact CB-CD1 4.42Å; A801-L929 HydrophobicContact CB-CD2 3.52Å; A827-L929 HydrophobicContact CB-CD2 3.84Å; L929-Q931 PolarHBondContact O-N 3.5Å
930	P	90.8	Very high	79.8	Confident	13 Å²	13	74.5 Å²	74.5	8%	0.084	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-62.2	134.4	176.3	25.5	-32.3	0	0	0	110.1	Y760 V788 P789 N792 F802 D804	Y760-P930 HydrophobicContact CD1-CB 3.88Å; Y760-P930 HydrophobicContact CE1-CB 4.49Å; V788-P930 HydrophobicContact CB-CG 4.32Å; V788-P930 HydrophobicContact CG1-CG 3.74Å; P789-P930 HydrophobicContact CG-CB 4.23Å; N792-P930 WeakPolarHBondContact ND2-CG 3.19Å; F802-P930 VanDerWaalsContact O-CD 3.3Å; F802-P930 WeakPolarHBondContact O-CD 3.08Å; D804-P930 HydrophobicContact CB-CB 4Å
931	Q	90.1	Very high	79.6	Confident	154 Å²	154	74 Å²	74	72%	0.72	40%	0.402	S	S	*	.			trans	-106.8	146.5	176.8	-65.9	-177.8	-2.4	0	0	110.2	Y760 T762 L929 L933	Y760-Q931 VanDerWaalsContact CE1-O 3.31Å; Y760-Q931 WeakPolarHBondContact CE1-O 3.37Å; T762-Q931 VanDerWaalsContact CG2-O 3.22Å; T762-Q931 WeakPolarHBondContact CG2-O 3.14Å; L929-Q931 PolarHBondContact O-N 3.5Å; Q931-L933 PolarHBondContact O-N 3.39Å
932	R	89.7	Confident	79.7	Confident	102 Å²	102	72.7 Å²	72.7	39%	0.385	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-55.9	139	173.4	-69.1	180	176.1	82	-1.9	110.1	E734 Y760 P789 D793 E934	E734-R932 IonicContact OE1-CZ 3.53Å; E734-R932 IonicContact OE1-NE 2.83Å; E734-R932 PolarHBondContact OE1-NE 3.47Å; E734-R932 IonicContact OE1-NH2 2.82Å; E734-R932 PolarHBondContact OE1-NH2 3.37Å; E734-R932 IonicContact OE2-CZ 3.6Å; E734-R932 IonicContact OE2-NE 3.67Å; E734-R932 IonicContact OE2-NH2 2.66Å; E734-R932 PolarHBondContact OE2-NH2 3.37Å; Y760-R932 WeakPolarHBondContact OH-CA 3.42Å; P789-R932 HydrophobicContact CB-CG 3.84Å; P789-R932 HydrophobicContact CG-CG 4.33Å; D793-R932 IonicContact OD2-CZ 3.22Å; D793-R932 VanDerWaalsContact OD2-CZ 3.22Å; D793-R932 IonicContact OD2-NH1 2.81Å; D793-R932 PolarHBondContact OD2-NH1 2.93Å; D793-R932 IonicContact OD2-NH2 3.01Å; D793-R932 PolarHBondContact OD2-NH2 2.7Å; R932-E934 PolarHBondContact O-N 3.1Å
933	L	87	Confident	79.8	Confident	15 Å²	15	73.6 Å²	73.6	8%	0.079	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-66.2	126.6	-178.5	-178.3	68.2	0	0	0	110	Y760 T762 M765 R766 Q931 G935 N936	Y760-L933 PolarHBondContact OH-N 2.88Å; T762-L933 HydrophobicContact CG2-CB 4.42Å; T762-L933 HydrophobicContact CG2-CD1 4.21Å; M765-L933 HydrophobicContact CE-CB 4.45Å; M765-L933 HydrophobicContact CE-CD2 4.12Å; R766-L933 HydrophobicContact CG-CD1 4.3Å; Q931-L933 PolarHBondContact O-N 3.39Å; L933-G935 PolarHBondContact O-N 3Å; L933-N936 HydrophobicContact CB-CB 4.31Å; L933-N936 WeakPolarHBondContact O-CB 3.36Å; L933-N936 PolarHBondContact O-N 3.4Å
934	E	82.8	Confident	80.4	Confident	169 Å²	169	69.2 Å²	69.2	79%	0.79	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	131.7	174.9	-68.9	-179	170.2	0	0	111.1	R932 N936	R932-E934 PolarHBondContact O-N 3.1Å; E934-N936 VanDerWaalsContact C-N 3.32Å
935	G	76.1	Confident	81.5	Confident	64 Å²	64	69.7 Å²	69.7	66%	0.66	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	16.2	-177.6	0	0	0	0	0	114.8	L933 H937	L933-G935 PolarHBondContact O-N 3Å; G935-H937 PolarHBondContact O-CE1 2.8Å; G935-H937 PolarHBondContact O-ND1 3.35Å
936	N	80.5	Confident	82.8	Confident	31 Å²	31	68.6 Å²	68.6	17%	0.166	34%	0.335	C	S	.	.			trans	-61.5	140.4	173.7	-177.8	0	0	0	0	112.1	D782 L933 E934 L938	D782-N936 WeakPolarHBondContact CA-OD1 3.38Å; D782-N936 WeakPolarHBondContact CB-OD1 3.04Å; D782-N936 PolarHBondContact O-ND2 2.92Å; D782-N936 PolarHBondContact O-OD1 2.9Å; D782-N936 PolarHBondContact OD1-OD1 3.37Å; L933-N936 HydrophobicContact CB-CB 4.31Å; L933-N936 WeakPolarHBondContact O-CB 3.36Å; L933-N936 PolarHBondContact O-N 3.4Å; E934-N936 VanDerWaalsContact C-N 3.32Å; N936-L938 WeakPolarHBondContact OD1-CB 3.08Å; N936-L938 PolarHBondContact OD1-N 3.38Å
937	H	83.4	Confident	84	Confident	71 Å²	71	63 Å²	63	33%	0.329	32%	0.32	S	S	.	.			trans	-107.5	19.7	179.6	-54	99.2	0	0	0	114.1	D782 G935 Y939 R940	D782-H937 PolarHBondContact OD1-N 3.05Å; G935-H937 PolarHBondContact O-CE1 2.8Å; G935-H937 PolarHBondContact O-ND1 3.35Å; H937-Y939 HydrophobicContact CB-CE1 4.2Å; H937-Y939 PolarHBondContact O-N 3.45Å; H937-R940 HydrophobicContact CB-CG 4.28Å; H937-R940 PolarHBondContact CD2-NH2 3.13Å; H937-R940 WeakPolarHBondContact O-CB 3.34Å; H937-R940 WeakPolarHBondContact O-CG 3.34Å; H937-R940 PolarHBondContact O-N 3.46Å
938	L	85.5	Confident	84.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-48.5	-31.6	180	-169.6	63.5	0	0	0	113.7	L664 F671 E734 D782 N936 R940 Y941 S942	L664-L938 HydrophobicContact CD1-CD1 3.65Å; F671-L938 HydrophobicContact CE1-CD1 4.07Å; F671-L938 HydrophobicContact CZ-CD1 4.19Å; E734-L938 HydrophobicContact CG-CD2 4.24Å; D782-L938 HydrophobicContact CB-CB 4.49Å; D782-L938 HydrophobicContact CB-CD1 4.39Å; N936-L938 WeakPolarHBondContact OD1-CB 3.08Å; N936-L938 PolarHBondContact OD1-N 3.38Å; L938-R940 PolarHBondContact O-N 2.95Å; L938-Y941 PolarHBondContact O-N 2.71Å; L938-S942 VanDerWaalsContact O-CB 3.31Å; L938-S942 WeakPolarHBondContact O-CB 3.31Å; L938-S942 PolarHBondContact O-N 3.44Å
939	Y	85.8	Confident	84.3	Confident	58 Å²	58	67.8 Å²	67.8	23%	0.227	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56	-19.4	175.3	70.5	-97	0	0	0	115.1	H937 Y941 A947 P952	H937-Y939 HydrophobicContact CB-CE1 4.2Å; H937-Y939 PolarHBondContact O-N 3.45Å; Y939-Y941 VanDerWaalsContact C-N 3.26Å; Y939-A947 HydrophobicContact CD2-CB 3.62Å; Y939-A947 HydrophobicContact CE2-CB 3.58Å; Y939-P952 HydrophobicContact CD1-CB 4.4Å; Y939-P952 HydrophobicContact CD1-CG 3.79Å; Y939-P952 HydrophobicContact CG-CG 4.39Å
940	R	80.5	Confident	83.4	Confident	135 Å²	135	68.4 Å²	68.4	51%	0.509	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-69.6	-26.6	175.4	-67.1	-178.9	-179	172.3	3.7	112.3	H937 L938	H937-R940 HydrophobicContact CB-CG 4.28Å; H937-R940 PolarHBondContact CD2-NH2 3.13Å; H937-R940 WeakPolarHBondContact O-CB 3.34Å; H937-R940 WeakPolarHBondContact O-CG 3.34Å; H937-R940 PolarHBondContact O-N 3.46Å; L938-R940 PolarHBondContact O-N 2.95Å
941	Y	80.5	Confident	82.6	Confident	68 Å²	68	74.5 Å²	74.5	27%	0.267	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-21.6	-173	-43.7	-54.8	0	0	0	112.4	P668 F671 D782 L938 Y939	P668-Y941 VanDerWaalsContact C-CE1 3.45Å; P668-Y941 HydrophobicContact CB-CD1 3.54Å; P668-Y941 HydrophobicContact CB-CE1 3.63Å; P668-Y941 HydrophobicContact CB-CG 4.49Å; P668-Y941 HydrophobicContact CG-CD1 4.02Å; P668-Y941 WeakPolarHBondContact O-CE1 3.39Å; P668-Y941 PolarHBondContact O-OH 3.49Å; P668-Y941 VanDerWaalsContact O-OH 3.06Å; F671-Y941 HydrophobicContact CZ-CD2 4.47Å; D782-Y941 WeakPolarHBondContact OD2-CE2 3.46Å; L938-Y941 PolarHBondContact O-N 2.71Å; Y939-Y941 VanDerWaalsContact C-N 3.26Å
942	S	86.4	Confident	82.1	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.028	37%	0.372	C	S	.	.			trans	-65.6	134.7	-179.3	-179.8	0	0	0	0	112.7	E733 L938 V944 L945	E733-S942 VanDerWaalsContact OE1-CB 3.25Å; E733-S942 WeakPolarHBondContact OE1-CB 3.05Å; E733-S942 PolarHBondContact OE1-OG 3.45Å; E733-S942 VanDerWaalsContact OE2-CA 3.3Å; E733-S942 WeakPolarHBondContact OE2-CA 3.3Å; L938-S942 VanDerWaalsContact O-CB 3.31Å; L938-S942 WeakPolarHBondContact O-CB 3.31Å; L938-S942 PolarHBondContact O-N 3.44Å; S942-V944 VanDerWaalsContact C-N 3.27Å; S942-V944 PolarHBondContact OG-N 2.88Å; S942-L945 PolarHBondContact OG-N 3.22Å
943	K	87.8	Confident	81.9	Confident	52 Å²	52	69.2 Å²	69.2	23%	0.226	37%	0.374	C	S	.	.	S	Bend	trans	-75	-18.4	167.4	-68.3	163.6	-78.7	-163.9	0	111.9	Y661 N663 E733 R955	Y661-K943 HydrophobicContact CD2-CD 4.45Å; Y661-K943 HydrophobicContact CE2-CD 4.05Å; Y661-K943 WeakPolarHBondContact O-CE 3.31Å; Y661-K943 PolarHBondContact O-NZ 2.82Å; N663-K943 PolarHBondContact O-NZ 3.23Å; E733-K943 WeakPolarHBondContact OE2-CB 3.38Å; E733-K943 VanDerWaalsContact OE2-CE 3.22Å; E733-K943 WeakPolarHBondContact OE2-CE 3.33Å; E733-K943 PolarHBondContact OE2-N 3.09Å; K943-R955 WeakPolarHBondContact O-CD 3.48Å
944	V	90	Very high	81.9	Confident	2 Å²	2	72 Å²	72	1%	0.012	39%	0.393	C	S	.	.	S	Bend	trans	-105.9	-31.3	-174.1	180	0	0	0	0	112.3	E733 E734 F736 S942 P954 R955	E733-V944 HydrophobicContact CG-CG2 4.04Å; E734-V944 HydrophobicContact CB-CB 4.03Å; E734-V944 HydrophobicContact CB-CG1 3.98Å; E734-V944 WeakPolarHBondContact O-CG2 3.45Å; F736-V944 HydrophobicContact CD1-CG1 3.86Å; F736-V944 HydrophobicContact CD2-CG1 4.42Å; F736-V944 HydrophobicContact CD2-CG2 4.04Å; F736-V944 HydrophobicContact CE1-CB 4.27Å; F736-V944 HydrophobicContact CE1-CG1 3.78Å; F736-V944 HydrophobicContact CE1-CG2 4.34Å; F736-V944 HydrophobicContact CE2-CB 4.37Å; F736-V944 HydrophobicContact CE2-CG1 4.37Å; F736-V944 HydrophobicContact CE2-CG2 3.58Å; F736-V944 HydrophobicContact CG-CG1 4.18Å; F736-V944 HydrophobicContact CZ-CB 4.07Å; F736-V944 HydrophobicContact CZ-CG1 4.05Å; F736-V944 HydrophobicContact CZ-CG2 3.74Å; S942-V944 VanDerWaalsContact C-N 3.27Å; S942-V944 PolarHBondContact OG-N 2.88Å; V944-P954 CarbonylContact O-C 3.52Å; V944-P954 VanDerWaalsContact O-CA 3.32Å; V944-P954 WeakPolarHBondContact O-CA 3.21Å; V944-R955 WeakPolarHBondContact O-CB 3.46Å; V944-R955 PolarHBondContact O-N 3.02Å
945	L	89.1	Confident	82.3	Confident	24 Å²	24	69.1 Å²	69.1	13%	0.126	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.8	-178.3	-60.4	178.6	0	0	0	113	E734 S942 P952 K953 R955	E734-L945 HydrophobicContact CB-CG 4.39Å; E734-L945 HydrophobicContact CG-CD1 3.81Å; E734-L945 HydrophobicContact CG-CD2 4.36Å; E734-L945 HydrophobicContact CG-CG 3.97Å; S942-L945 PolarHBondContact OG-N 3.22Å; L945-P952 HydrophobicContact CB-CB 4.33Å; L945-P952 HydrophobicContact CD1-CB 4.17Å; L945-P952 HydrophobicContact CD2-CB 4.43Å; L945-K953 CarbonylContact C-O 3.52Å; L945-K953 WeakPolarHBondContact CA-O 3.47Å; L945-R955 PolarHBondContact O-NE 3.43Å; L945-R955 PolarHBondContact O-NH2 3.12Å
946	E	86.6	Confident	83	Confident	76 Å²	76	71.3 Å²	71.3	36%	0.355	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.2	169.7	59.7	174.3	-157.6	0	0	112.4	K953 R955	E946-K953 HydrophobicContact CG-CB 4.33Å; E946-K953 WeakPolarHBondContact CG-O 3.34Å; E946-K953 PolarHBondContact N-O 2.8Å; E946-K953 PolarHBondContact O-N 2.95Å; E946-R955 HydrophobicContact CB-CG 3.78Å; E946-R955 HydrophobicContact CG-CG 4.12Å
947	A	83.2	Confident	83.5	Confident	69 Å²	69	72.8 Å²	72.8	57%	0.57	39%	0.385	S	S	*	.			trans	-69.2	130.5	175.9	0	0	0	0	0	110.6	Y939	Y939-A947 HydrophobicContact CD2-CB 3.62Å; Y939-A947 HydrophobicContact CE2-CB 3.58Å
948	H	78.9	Confident	83.8	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.407	39%	0.385	S	S	.	.			trans	-136.6	154.5	175.1	-167.7	-79.1	0	0	0	110	G950 K953	H948-G950 PolarHBondContact O-N 3.38Å; H948-K953 HydrophobicContact CB-CD 4.41Å; H948-K953 HydrophobicContact CB-CG 4.14Å; H948-K953 PolarHBondContact CD2-NZ 3.43Å; H948-K953 PolarHBondContact CE1-NZ 3.33Å; H948-K953 WeakPolarHBondContact NE2-CE 3.38Å; H948-K953 PolarHBondContact NE2-NZ 3.31Å
949	L	65.9	Low	84	Confident	172 Å²	172	76.4 Å²	76.4	90%	0.901	42%	0.423	S	S	*	.	S	Bend	trans	-63.9	101.6	168.7	-85.9	114.3	0	0	0	108.7
950	G	70.4	Confident	84.1	Confident	67 Å²	67	76.5 Å²	76.5	69%	0.691	43%	0.431	S	S	*	.	S	Bend	trans	115.5	-138.8	-172.2	0	0	0	0	0	111.4	H948	H948-G950 PolarHBondContact O-N 3.38Å
951	D	73.7	Confident	84.3	Confident	140 Å²	140	74.4 Å²	74.4	75%	0.749	44%	0.436	S	S	*	.	S	Bend	trans	-75.1	146.8	177.3	-62.4	-40.5	0	0	0	111.7
952	P	80.9	Confident	84.2	Confident	50 Å²	50	79.2 Å²	79.2	33%	0.325	46%	0.46	S	S	.	.			trans	-55.5	142.4	174.9	-23.1	33.3	0	0	0	111.9	Y939 L945	Y939-P952 HydrophobicContact CD1-CB 4.4Å; Y939-P952 HydrophobicContact CD1-CG 3.79Å; Y939-P952 HydrophobicContact CG-CG 4.39Å; L945-P952 HydrophobicContact CB-CB 4.33Å; L945-P952 HydrophobicContact CD1-CB 4.17Å; L945-P952 HydrophobicContact CD2-CB 4.43Å
953	K	84.9	Confident	84.1	Confident	95 Å²	95	80.9 Å²	80.9	41%	0.413	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.2	176.4	-72.4	-170.5	-178.9	171.5	0	111.2	L945 E946 H948 R955	L945-K953 CarbonylContact C-O 3.52Å; L945-K953 WeakPolarHBondContact CA-O 3.47Å; E946-K953 HydrophobicContact CG-CB 4.33Å; E946-K953 WeakPolarHBondContact CG-O 3.34Å; E946-K953 PolarHBondContact N-O 2.8Å; E946-K953 PolarHBondContact O-N 2.95Å; H948-K953 HydrophobicContact CB-CD 4.41Å; H948-K953 HydrophobicContact CB-CG 4.14Å; H948-K953 PolarHBondContact CD2-NZ 3.43Å; H948-K953 PolarHBondContact CE1-NZ 3.33Å; H948-K953 WeakPolarHBondContact NE2-CE 3.38Å; H948-K953 PolarHBondContact NE2-NZ 3.31Å; K953-R955 PolarHBondContact O-N 3.24Å
954	P	86.9	Confident	84.1	Confident	75 Å²	75	82.2 Å²	82.2	49%	0.487	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.9	170.3	27.8	-32.6	0	0	0	110	V944	V944-P954 CarbonylContact O-C 3.52Å; V944-P954 VanDerWaalsContact O-CA 3.32Å; V944-P954 WeakPolarHBondContact O-CA 3.21Å
955	R	90.6	Very high	84.2	Confident	107 Å²	107	87.5 Å²	87.5	40%	0.404	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-61.3	158.2	167.4	-70.6	177.4	-172.4	-119.8	4.3	109.6	F736 K943 V944 L945 E946 K953 L957	F736-R955 HydrophobicContact CE1-CB 4.44Å; F736-R955 VanDerWaalsContact CE1-O 3.3Å; F736-R955 WeakPolarHBondContact CE1-O 3.5Å; K943-R955 WeakPolarHBondContact O-CD 3.48Å; V944-R955 WeakPolarHBondContact O-CB 3.46Å; V944-R955 PolarHBondContact O-N 3.02Å; L945-R955 PolarHBondContact O-NE 3.43Å; L945-R955 PolarHBondContact O-NH2 3.12Å; E946-R955 HydrophobicContact CB-CG 3.78Å; E946-R955 HydrophobicContact CG-CG 4.12Å; K953-R955 PolarHBondContact O-N 3.24Å; R955-L957 PolarHBondContact O-N 3.28Å
956	P	90.8	Very high	84.3	Confident	110 Å²	110	87.5 Å²	87.5	71%	0.714	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-62.7	138.7	168.1	27.2	-33.9	0	0	0	110.3
957	L	91	Very high	84.5	Confident	62 Å²	62	92.9 Å²	92.9	33%	0.325	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-51.4	122.6	175.3	-179	74.4	0	0	0	109.7	P714 T716 F736 E738 R955	P714-L957 HydrophobicContact CB-CD1 4.21Å; P714-L957 HydrophobicContact CG-CD1 4.4Å; T716-L957 HydrophobicContact CG2-CD1 4.5Å; T716-L957 HydrophobicContact CG2-CD2 4.21Å; F736-L957 HydrophobicContact CB-CD1 3.98Å; F736-L957 HydrophobicContact CD1-CD1 4.32Å; F736-L957 HydrophobicContact CD2-CD1 3.56Å; F736-L957 HydrophobicContact CE2-CD1 4.08Å; F736-L957 HydrophobicContact CG-CD1 3.7Å; E738-L957 HydrophobicContact CB-CD2 4.23Å; E738-L957 HydrophobicContact CG-CD2 4.36Å; R955-L957 PolarHBondContact O-N 3.28Å
958	P	90.6	Very high	84.9	Confident	53 Å²	53	93.2 Å²	93.2	34%	0.344	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-68	147.8	178.9	27.3	-33.6	0	0	0	110.6	P714 F736 C960	P714-P958 HydrophobicContact CG-CG 3.85Å; F736-P958 HydrophobicContact CE2-CG 4.43Å; F736-P958 HydrophobicContact CZ-CG 4.49Å; P958-C960 PolarHBondContact O-N 3.01Å
959	A	89.2	Confident	85.6	Confident	98 Å²	98	93.6 Å²	93.6	81%	0.81	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-62.5	138.6	172.6	0	0	0	0	0	110.2
960	C	89.1	Confident	86.8	Confident	59 Å²	59	89 Å²	89	40%	0.399	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-59.1	139.8	177.8	-65.3	0	0	0	0	111.4	C717 P958 H962	C717-C960 WeakPolarHBondContact CA-SG 3.19Å; C717-C960 HydrophobicContact CB-CB 3.68Å; C717-C960 WeakPolarHBondContact CB-SG 3.47Å; C717-C960 WeakPolarHBondContact SG-CA 3.43Å; C717-C960 WeakPolarHBondContact SG-CB 3.29Å; C717-C960 CovalentContact SG-SG 2.04Å; C717-C960 PolarHBondContact SG-SG 2.72Å; P958-C960 PolarHBondContact O-N 3.01Å; C960-H962 PolarHBondContact O-N 3.37Å
961	P	83.4	Confident	87.8	Confident	92 Å²	92	87.6 Å²	87.6	60%	0.597	49%	0.485	S	S	*	.			trans	-61.4	107.9	-178.9	24.6	-32.7	0	0	0	109.5	A713 L963	A713-P961 HydrophobicContact CB-CG 3.91Å; P961-L963 PolarHBondContact O-N 2.69Å
962	H	79.4	Confident	88.5	Confident	168 Å²	168	87.8 Å²	87.8	78%	0.778	49%	0.486	S	S	*	.			trans	-89.7	104.5	178.4	-176.3	-76.7	0	0	0	109.7	C960 S964	C960-H962 PolarHBondContact O-N 3.37Å; H962-S964 PolarHBondContact O-N 2.83Å
963	L	84	Confident	88.9	Confident	40 Å²	40	91.2 Å²	91.2	21%	0.209	50%	0.498	C	S	.	.			trans	-68.5	117.3	173.7	-65.4	178.6	0	0	0	110.4	P544 A581 P961 W965	P544-L963 HydrophobicContact CB-CD1 3.94Å; P544-L963 HydrophobicContact CG-CD1 3.58Å; A581-L963 HydrophobicContact CB-CB 3.86Å; A581-L963 HydrophobicContact CB-CD2 4.33Å; A581-L963 HydrophobicContact CB-CG 4.47Å; P961-L963 PolarHBondContact O-N 2.69Å; L963-W965 HydrophobicContact CB-CZ2 4.32Å; L963-W965 HydrophobicContact CD1-CH2 3.96Å; L963-W965 HydrophobicContact CD1-CZ2 4.09Å; L963-W965 PolarHBondContact O-N 3.43Å
964	S	88.1	Confident	88.9	Confident	79 Å²	79	91.8 Å²	91.8	55%	0.552	51%	0.509	S	S	*	.			trans	-79.9	95.3	170	61.6	0	0	0	0	109.6	H962 A966	H962-S964 PolarHBondContact O-N 2.83Å; S964-A966 PolarHBondContact O-N 2.91Å
965	W	91.3	Very high	88.6	Confident	113 Å²	113	88.8 Å²	88.8	43%	0.428	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-56.8	129.5	175.9	-59.2	107.6	0	0	0	111.3	P544 D579 A581 S600 L963	P544-W965 HydrophobicContact CG-CH2 4.26Å; D579-W965 HydrophobicContact CB-CD2 4.26Å; D579-W965 HydrophobicContact CB-CE3 3.67Å; D579-W965 HydrophobicContact CB-CZ3 3.95Å; A581-W965 HydrophobicContact CB-CD2 4.31Å; A581-W965 HydrophobicContact CB-CE3 3.76Å; A581-W965 HydrophobicContact CB-CZ3 3.99Å; S600-W965 VanDerWaalsContact CB-CH2 3.42Å; L963-W965 HydrophobicContact CB-CZ2 4.32Å; L963-W965 HydrophobicContact CD1-CH2 3.96Å; L963-W965 HydrophobicContact CD1-CZ2 4.09Å; L963-W965 PolarHBondContact O-N 3.43Å
966	A	91	Very high	88.2	Confident	24 Å²	24	86.7 Å²	86.7	20%	0.198	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-69	135.9	179	0	0	0	0	0	110	W567 V580 S964 P968	W567-A966 HydrophobicContact CB-CB 3.61Å; V580-A966 VanDerWaalsContact O-CB 3.26Å; V580-A966 WeakPolarHBondContact O-CB 3.19Å; V580-A966 PolarHBondContact O-N 3.41Å; S964-A966 PolarHBondContact O-N 2.91Å; A966-P968 WeakPolarHBondContact O-CD 3.49Å
967	K	91.3	Very high	87.3	Confident	189 Å²	189	87 Å²	87	82%	0.822	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-68	118.8	173.3	-67.9	-176.5	-179.8	-179.5	0	108.6	Q969	K967-Q969 PolarHBondContact O-N 3.22Å
968	P	91.1	Very high	86.3	Confident	77 Å²	77	88.9 Å²	88.9	50%	0.5	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-68.4	133.7	-175.8	26.5	-33.2	0	0	0	111	P569 A966 P970	P569-P968 HydrophobicContact CG-CB 3.93Å; A966-P968 WeakPolarHBondContact O-CD 3.49Å; P968-P970 WeakPolarHBondContact O-CD 3.22Å
969	Q	93.7	Very high	85.5	Confident	96 Å²	96	88.3 Å²	88.3	45%	0.449	50%	0.5	S	S	.	.			trans	-109.4	87.7	169.1	-68	-175.2	8.3	0	0	108.8	I566 W567 Q568 K967	I566-Q969 HydrophobicContact CG2-CB 4.37Å; I566-Q969 VanDerWaalsContact CG2-CD 3.43Å; I566-Q969 HydrophobicContact CG2-CG 4.07Å; W567-Q969 PolarHBondContact O-N 2.75Å; Q568-Q969 WeakPolarHBondContact CA-O 3.47Å; Q568-Q969 HydrophobicContact CG-CB 4.14Å; K967-Q969 PolarHBondContact O-N 3.22Å
970	P	90.8	Very high	84.5	Confident	75 Å²	75	86.9 Å²	86.9	49%	0.487	47%	0.474	S	S	.	.			trans	-67.7	141.4	-169.6	27.7	-34.8	0	0	0	112.5	P569 L571 P968	P569-P970 HydrophobicContact CG-CB 4.28Å; L571-P970 HydrophobicContact CD1-CB 3.8Å; L571-P970 HydrophobicContact CD2-CB 3.85Å; L571-P970 HydrophobicContact CG-CB 3.8Å; P968-P970 WeakPolarHBondContact O-CD 3.22Å
971	L	91.4	Very high	83	Confident	38 Å²	38	91.6 Å²	91.6	20%	0.199	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-112.3	132.4	176.9	-63.7	177.7	0	0	0	111	Q568 P569 Y570 L571 E973	Q568-L971 HydrophobicContact CB-CD1 3.9Å; Q568-L971 HydrophobicContact CB-CG 4.21Å; Q568-L971 HydrophobicContact CG-CD1 4.46Å; P569-L971 PolarHBondContact O-N 2.98Å; Y570-L971 HydrophobicContact CD1-CB 4.39Å; Y570-L971 HydrophobicContact CE1-CD1 4.22Å; L571-L971 PolarHBondContact N-O 3.01Å; L971-E973 PolarHBondContact O-N 2.8Å
972	N	89.6	Confident	81.2	Confident	143 Å²	143	94.7 Å²	94.7	77%	0.765	49%	0.494	S	S	*	.			trans	-85.5	35.9	170.9	-77.6	-28.1	0	0	0	111.8	L571	L571-N972 WeakPolarHBondContact CD1-OD1 3.24Å
973	E	88.3	Confident	79.7	Confident	123 Å²	123	89.1 Å²	89.1	58%	0.575	47%	0.468	S	S	*	.	S	Bend	trans	-114.3	150.5	179.4	-66	-177.1	-178.7	0	0	109.8	Y570 P572 L971	Y570-E973 WeakPolarHBondContact CD1-O 3.34Å; P572-E973 WeakPolarHBondContact CD-O 3.39Å; L971-E973 PolarHBondContact O-N 2.8Å
974	T	84.4	Confident	77.4	Confident	107 Å²	107	96.1 Å²	96.1	66%	0.656	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-77.1	132.4	176	53.7	0	0	0	0	110.6
975	A	82.1	Confident	74.8	Confident	12 Å²	12	98.7 Å²	98.7	10%	0.099	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-57.3	148.3	174.2	0	0	0	0	0	112	Y570 Q573 Q613 S977	Y570-A975 HydrophobicContact CD1-CB 4.48Å; Y570-A975 HydrophobicContact CD2-CB 3.46Å; Y570-A975 VanDerWaalsContact CD2-CB 3.46Å; Y570-A975 HydrophobicContact CE2-CB 3.87Å; Y570-A975 HydrophobicContact CG-CB 3.82Å; Q573-A975 HydrophobicContact CB-CB 4.36Å; Q573-A975 HydrophobicContact CG-CB 3.9Å; Q613-A975 HydrophobicContact CB-CB 4.11Å; A975-S977 PolarHBondContact O-N 2.76Å
976	P	81.4	Confident	72.1	Confident	63 Å²	63	99.6 Å²	99.6	41%	0.409	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-59.5	130.4	176.3	-18.9	29.6	0	0	0	111.3	N978 L979	P976-N978 VanDerWaalsContact C-N 3.35Å; P976-N978 PolarHBondContact O-N 3.38Å; P976-L979 HydrophobicContact CB-CD2 4.39Å
977	S	71.5	Confident	69.3	Low	116 Å²	116	103.5 Å²	103.5	81%	0.811	54%	0.542	S	S	*	.	S	Bend	trans	-69.6	-28.8	-176.2	54.8	0	0	0	0	114.2	A975	A975-S977 PolarHBondContact O-N 2.76Å
978	N	70.3	Confident	66.7	Low	101 Å²	101	97.2 Å²	97.2	54%	0.54	52%	0.519	S	S	.	.			trans	-127.6	98.3	179.1	-71.8	-38.2	0	0	0	110.1	P976 W980 K981	P976-N978 VanDerWaalsContact C-N 3.35Å; P976-N978 PolarHBondContact O-N 3.38Å; N978-W980 VanDerWaalsContact C-N 3.29Å; N978-K981 HydrophobicContact CB-CG 4.11Å
979	L	74.5	Confident	64	Low	41 Å²	41	97.6 Å²	97.6	22%	0.215	52%	0.517	C	S	.	.	S	Bend	trans	-65.8	-37.4	171.7	-61.6	-176.5	0	0	0	111.1	Y521 D523 P641 K643 P976	Y521-L979 HydrophobicContact CD2-CB 4.12Å; Y521-L979 HydrophobicContact CD2-CD1 4.25Å; Y521-L979 HydrophobicContact CG-CB 4.19Å; D523-L979 HydrophobicContact CB-CD1 4.28Å; P641-L979 HydrophobicContact CB-CD1 4.19Å; P641-L979 HydrophobicContact CB-CD2 3.4Å; P641-L979 VanDerWaalsContact CB-CD2 3.4Å; P641-L979 HydrophobicContact CB-CG 4.38Å; P641-L979 HydrophobicContact CG-CD2 3.92Å; K643-L979 HydrophobicContact CB-CD1 3.9Å; K643-L979 HydrophobicContact CD-CD1 4.33Å; P976-L979 HydrophobicContact CB-CD2 4.39Å
980	W	67.3	Low	61.5	Low	69 Å²	69	97.7 Å²	97.7	26%	0.261	52%	0.52	S	S	.	.	S	Bend	trans	-118.9	135.3	169.7	-175	80.2	0	0	0	110.5	R485 Y521 N978 H982	R485-W980 HydrophobicContact CB-CZ2 4.17Å; R485-W980 HydrophobicContact CG-CZ2 4.12Å; R485-W980 VanDerWaalsContact CZ-NE1 3.28Å; R485-W980 VanDerWaalsContact NH2-CD1 3.32Å; Y521-W980 HydrophobicContact CE1-CB 3.94Å; Y521-W980 HydrophobicContact CE1-CG 4.49Å; N978-W980 VanDerWaalsContact C-N 3.29Å; W980-H982 HydrophobicContact CH2-CB 4.16Å; W980-H982 AromaticContact CH2-CE1 3.74Å; W980-H982 AromaticContact CH2-CG 3.67Å; W980-H982 AromaticContact CH2-ND1 3.25Å; W980-H982 WeakPolarHBondContact CH2-ND1 3.25Å; W980-H982 HydrophobicContact CZ3-CB 4Å; W980-H982 AromaticContact CZ3-CD2 3.54Å; W980-H982 AromaticContact CZ3-CE1 3.36Å; W980-H982 WeakPolarHBondContact CZ3-CE1 3.42Å; W980-H982 AromaticContact CZ3-CG 3.29Å; W980-H982 AromaticContact CZ3-ND1 3.18Å; W980-H982 WeakPolarHBondContact CZ3-ND1 3.17Å; W980-H982 AromaticContact CZ3-NE2 3.59Å
981	K	57.5	Low	59.1	Low	158 Å²	158	101.3 Å²	101.3	69%	0.687	54%	0.535	S	S	*	.			trans	-104.7	120.7	173.3	-70.5	180	-178.4	174.6	0	108.2	N978 Q983	N978-K981 HydrophobicContact CB-CG 4.11Å; K981-Q983 PolarHBondContact O-N 3.17Å
982	H	46.5	Very low	56.6	Low	157 Å²	157	107.9 Å²	107.9	73%	0.727	56%	0.562	S	S	*	*			trans	-48.9	117.5	165.9	-85.1	-78.3	0	0	0	108.4	W980 K984	W980-H982 HydrophobicContact CH2-CB 4.16Å; W980-H982 AromaticContact CH2-CE1 3.74Å; W980-H982 AromaticContact CH2-CG 3.67Å; W980-H982 AromaticContact CH2-ND1 3.25Å; W980-H982 WeakPolarHBondContact CH2-ND1 3.25Å; W980-H982 HydrophobicContact CZ3-CB 4Å; W980-H982 AromaticContact CZ3-CD2 3.54Å; W980-H982 AromaticContact CZ3-CE1 3.36Å; W980-H982 WeakPolarHBondContact CZ3-CE1 3.42Å; W980-H982 AromaticContact CZ3-CG 3.29Å; W980-H982 AromaticContact CZ3-ND1 3.18Å; W980-H982 WeakPolarHBondContact CZ3-ND1 3.17Å; W980-H982 AromaticContact CZ3-NE2 3.59Å; H982-K984 VanDerWaalsContact C-N 3.27Å; H982-K984 PolarHBondContact O-N 3.23Å
983	Q	48.4	Very low	54.3	Low	51 Å²	51	103.3 Å²	103.3	24%	0.238	54%	0.539	C	S	.	.			trans	-68.1	95.2	171	-58.1	-166.9	9.9	0	0	106.4	A483 K981 L985	A483-Q983 PolarHBondContact O-NE2 2.94Å; K981-Q983 PolarHBondContact O-N 3.17Å; Q983-L985 PolarHBondContact O-N 2.75Å
984	K	35.6	Very low	51.9	Low	186 Å²	186	102.1 Å²	102.1	81%	0.809	55%	0.55	S	S	*	*			trans	-53.6	125.8	158.6	-78.1	-175	177.7	-179.8	0	104.6	H982 L986	H982-K984 VanDerWaalsContact C-N 3.27Å; H982-K984 PolarHBondContact O-N 3.23Å; K984-L986 PolarHBondContact O-N 3.41Å
985	L	33.2	Very low	49.6	Very low	133 Å²	133	101.7 Å²	101.7	70%	0.696	54%	0.544	S	S	*	.			trans	-46.3	100.7	163.2	-82.6	151.8	0	0	0	105.5	Q983 S987	Q983-L985 PolarHBondContact O-N 2.75Å; L985-S987 VanDerWaalsContact C-N 3.25Å; L985-S987 PolarHBondContact O-N 2.9Å
986	L	34.1	Very low	47.2	Very low	133 Å²	133	105.8 Å²	105.8	70%	0.696	57%	0.569	S	S	*	*			trans	-63.1	106.9	164.3	-78.2	162.4	0	0	0	101.7	K984 V988	K984-L986 PolarHBondContact O-N 3.41Å; L986-V988 VanDerWaalsContact C-N 3.26Å; L986-V988 PolarHBondContact O-N 3.03Å
987	S	31.6	Very low	44.9	Very low	105 Å²	105	110.9 Å²	110.9	73%	0.734	59%	0.593	S	S	*	*			trans	-47.3	109.8	155.6	47.3	0	0	0	0	104.1	L985 D989	L985-S987 VanDerWaalsContact C-N 3.25Å; L985-S987 PolarHBondContact O-N 2.9Å; S987-D989 VanDerWaalsContact C-N 3.33Å; S987-D989 PolarHBondContact O-N 3.28Å
988	V	37.9	Very low	43	Very low	57 Å²	57	114.1 Å²	114.1	35%	0.345	60%	0.598	S	S	.	*			trans	-55.3	107.8	177.6	179	0	0	0	0	104.8	L986 L990	L986-V988 VanDerWaalsContact C-N 3.26Å; L986-V988 PolarHBondContact O-N 3.03Å; V988-L990 HydrophobicContact CG1-CG 4.12Å; V988-L990 PolarHBondContact O-N 2.93Å
989	D	34.8	Very low	41.2	Very low	86 Å²	86	118.8 Å²	118.8	46%	0.46	61%	0.613	S	S	.	*			trans	-74.9	83.5	172.2	-157.1	10.4	0	0	0	104.1	S987 D991 K992	S987-D989 VanDerWaalsContact C-N 3.33Å; S987-D989 PolarHBondContact O-N 3.28Å; D989-D991 PolarHBondContact O-N 3.42Å; D989-K992 PolarHBondContact O-N 3.03Å
990	L	40.8	Very low	39.2	Very low	98 Å²	98	121.7 Å²	121.7	51%	0.513	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-52.2	-22	-178.8	-85.7	145.7	0	0	0	111.3	V988 K992 V993	V988-L990 HydrophobicContact CG1-CG 4.12Å; V988-L990 PolarHBondContact O-N 2.93Å; L990-K992 VanDerWaalsContact C-N 3.32Å; L990-K992 PolarHBondContact O-N 2.64Å; L990-V993 PolarHBondContact O-N 2.77Å
991	D	40.1	Very low	37.5	Very low	150 Å²	150	127.4 Å²	127.4	80%	0.802	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-72.1	-18.3	177.1	-64	-15.9	0	0	0	114	D989	D989-D991 PolarHBondContact O-N 3.42Å
992	K	39.2	Very low	36.2	Very low	177 Å²	177	130.5 Å²	130.5	77%	0.77	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-93.9	-7.9	175.2	-71.2	-173.7	-177.3	177	0	113.9	D989 L990	D989-K992 PolarHBondContact O-N 3.03Å; L990-K992 VanDerWaalsContact C-N 3.32Å; L990-K992 PolarHBondContact O-N 2.64Å
993	V	40.1	Very low	35.4	Very low	46 Å²	46	128.9 Å²	128.9	28%	0.279	68%	0.677	S	S	.	*	S	Bend	trans	-88.4	106.1	172	179.1	0	0	0	0	106.6	M238 L990 L995	M238-V993 HydrophobicContact CE-CG1 3.38Å; M238-V993 HydrophobicContact SD-CG1 4.38Å; L990-V993 PolarHBondContact O-N 2.77Å; V993-L995 VanDerWaalsContact C-N 3.34Å; V993-L995 PolarHBondContact O-N 3.07Å
994	A	37.5	Very low	34.4	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	71%	0.707	S	S	*	*			trans	-65.3	92.8	179	0	0	0	0	0	110.1
995	L	36.1	Very low	34.1	Very low	99 Å²	99	133.1 Å²	133.1	52%	0.518	71%	0.709	S	S	.	*			trans	-69.3	127.4	172.3	-69.5	166.9	0	0	0	109	V993 N997	V993-L995 VanDerWaalsContact C-N 3.34Å; V993-L995 PolarHBondContact O-N 3.07Å; L995-N997 PolarHBondContact O-N 3.16Å
996	P	33.4	Very low	33.8	Very low	98 Å²	98	137.7 Å²	137.7	64%	0.636	72%	0.717	S	S	*	*			trans	-64.9	129.5	172.4	23.7	-29.4	0	0	0	110	M998	P996-M998 PolarHBondContact O-N 3.2Å
997	N	32.3	Very low	33.6	Very low	170 Å²	170	137 Å²	137	91%	0.909	72%	0.721	S	S	*	*			trans	-74.2	86.1	-172.8	-146.7	1.4	0	0	0	110.3	L995 K999	L995-N997 PolarHBondContact O-N 3.16Å; N997-K999 PolarHBondContact O-N 3.09Å
998	M	32.1	Very low	33.5	Very low	183 Å²	183	140.6 Å²	140.6	90%	0.901	73%	0.731	S	S	*	*			trans	-84.2	108.3	179.7	-147.7	-177.3	177.6	0	0	110.1	P996 S1000	P996-M998 PolarHBondContact O-N 3.2Å; M998-S1000 PolarHBondContact O-N 2.86Å; M998-S1000 VanDerWaalsContact O-N 3.11Å
999	K	31.8	Very low	33.1	Very low	199 Å²	199	143.3 Å²	143.3	87%	0.865	75%	0.752	S	S	*	*			trans	-58	112.4	172.8	-77.9	179	176.6	176.4	0	109.9	N997 H1001	N997-K999 PolarHBondContact O-N 3.09Å; K999-H1001 PolarHBondContact O-N 2.84Å
1000	S	32.7	Very low	33	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	77%	0.772	S	S	*	*			trans	-66.4	113	171.5	62.8	0	0	0	0	110.5	M998 R1002	M998-S1000 PolarHBondContact O-N 2.86Å; M998-S1000 VanDerWaalsContact O-N 3.11Å; S1000-R1002 PolarHBondContact O-N 2.79Å
1001	H	32.7	Very low	32.3	Very low	190 Å²	190	144.4 Å²	144.4	88%	0.88	78%	0.783	S	S	*	*			trans	-73.1	99.8	159.5	-99.5	47.7	0	0	0	108.4	K999	K999-H1001 PolarHBondContact O-N 2.84Å
1002	R	29.2	Very low	31.6	Very low	222 Å²	222	146.3 Å²	146.3	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.3	128.6	161.8	-89	-176.5	176.3	177.5	-0.6	108.6	S1000 Q1004	S1000-R1002 PolarHBondContact O-N 2.79Å; R1002-Q1004 PolarHBondContact O-N 2.95Å
1003	P	29.7	Very low	31.3	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.4	132.1	169.8	22.9	-24.6	0	0	0	110.1
1004	Q	26.6	Very low	30.6	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.8	130	-178.5	-69.7	-167.8	-12.7	0	0	111.7	R1002	R1002-Q1004 PolarHBondContact O-N 2.95Å
1005	V	30.3	Very low	30.1	Very low	142 Å²	142	144.2 Å²	144.2	86%	0.861	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-103.9	124.6	157.9	-179.8	0	0	0	0	106.9
1006	R	27.7	Very low	29.7	Very low	228 Å²	228	150.4 Å²	150.4	86%	0.86	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64.3	145.5	-178.6	-80.1	179.9	178.1	175.9	-1.1	111.7
1007	P	28.8	Very low	29.2	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-86.6	144.9	-177.2	34.8	-32.6	0	0	0	111.9
1008	L	29.7	Very low	28.9	Very low	180 Å²	180	150.4 Å²	150.4	94%	0.942	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90.9	137	158.5	-88.6	161.2	0	0	0	109.3
1009	S	29.3	Very low	29.2	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.9	169.1	-166.3	-64.7	0	0	0	0	115.9
1010	P	32.4	Very low	29	Very low	134 Å²	134	141.6 Å²	141.6	87%	0.87	81%	0.808	S	S	*	*			trans	-109.4	164.6	-152	40	-30.8	0	0	0	115.4
1011	G	26.5	Very low	28.7	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	81%	0.809	S	S	*	*			trans	142.1	121.8	168.5	0	0	0	0	0	109
1012	E	26.7	Very low	28.4	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	81%	0.81	S	S	*	*			cis	-151.5	146.4	28.6	-77.8	174.1	137.2	0	0	111.3
1013	S	31.1	Very low	28.2	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	81%	0.812	S	S	*	*			trans	8.2	142.3	150.7	54.9	0	0	0	0	120.5
1014	G	26.2	Very low	28.9	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	81%	0.812	S	S	*	*			cis	153.9	150.4	10.5	0	0	0	0	0	110.1
1015	A	27.4	Very low	28.9	Very low	84 Å²	84	132 Å²	132	69%	0.694	81%	0.806	S	S	*	*			trans	170	99	145.1	0	0	0	0	0	110.1
1016	W	26.7	Very low	28.7	Very low	228 Å²	228	137.2 Å²	137.2	86%	0.864	81%	0.811	S	S	*	*				72.3	96.1	110.7	-59.5	115.8	0	0	0	113.4
1017	D	24.3	Very low	28.8	Very low	118 Å²	118	136.9 Å²	136.9	63%	0.631	81%	0.811	S	S	*	*				110.7	109.5	88.2	-93	-2.4	0	0	0	108.5
1018	I	26	Very low	28.9	Very low	150 Å²	150	137.7 Å²	137.7	77%	0.769	81%	0.808	S	S	*	*				61.1	144.2	75.8	-59.1	-179.5	0	0	0	112.1
1019	P	38	Very low	29	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	80%	0.803	S	S	*	*			cis	-132.6	178.7	-14.2	29.1	-9.3	0	0	0	114.6
1020	G	26.2	Very low	29.2	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	81%	0.808	S	S	*	*			trans	115.9	105.3	130.7	0	0	0	0	0	116.3
1021	G	27.4	Very low	29.7	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	81%	0.806	S	S	*	*			trans	-78	-179.9	177.8	0	0	0	0	0	114.9
1022	I	26.7	Very low	30.3	Very low	177 Å²	177	141 Å²	141	91%	0.908	80%	0.802	S	S	*	*			trans	-163.2	143.1	157.1	-92.6	141.1	0	0	0	109.9
1023	M	25	Very low	31	Very low	175 Å²	175	140.6 Å²	140.6	86%	0.862	80%	0.8	S	S	*	*			trans	-65	177.2	172.2	-89.4	-78	-133.3	0	0	114
1024	P	44.7	Very low	31.9	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	79%	0.787	S	S	*	*			trans	-94	155.5	-149.6	37.2	-35	0	0	0	115
1025	G	25.5	Very low	33	Very low	73 Å²	73	141.9 Å²	141.9	75%	0.753	78%	0.782	S	S	*	*			trans	-162	121.1	174.7	0	0	0	0	0	115.7
1026	R	26.5	Very low	34	Very low	253 Å²	253	142.4 Å²	142.4	96%	0.955	78%	0.778	S	S	*	*			trans	47	120.5	143.3	-77.7	179.1	172.1	173.9	-2	122.1
1027	Y	29	Very low	35.3	Very low	221 Å²	221	136 Å²	136	87%	0.867	76%	0.764	S	S	*	*			trans	-42.3	126.9	147	-103	-107.8	0	0	0	113.9
1028	N	32.6	Very low	36.7	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	77%	0.766	S	S	*	*				175.2	160.5	103.6	-108.1	-11.9	0	0	0	112.3
1029	Q	31.8	Very low	38.4	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	76%	0.756	S	S	*	*			trans	76.8	101.8	163.8	-87.3	161	-37	0	0	118.4
1030	E	32	Very low	39.7	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	75%	0.75	S	S	*	*				176.1	98.2	113.5	-93	179.6	-168.4	0	0	109.7
1031	V	42.7	Very low	41.5	Very low	135 Å²	135	136.7 Å²	136.7	82%	0.818	74%	0.74	S	S	*	*			trans	-123.3	99.5	165.5	-178.4	0	0	0	0	107
1032	G	39	Very low	43.4	Very low	64 Å²	64	135.1 Å²	135.1	66%	0.66	72%	0.724	S	S	*	*			trans	-157	30.6	-174.2	0	0	0	0	0	115.1
1033	Q	41.9	Very low	45.6	Very low	183 Å²	183	129.2 Å²	129.2	86%	0.855	70%	0.701	S	S	*	*	S	Bend	trans	-144.7	-0.9	172.8	-74.7	-160.6	-12.5	0	0	117.4
1034	T	50.5	Low	47.7	Very low	91 Å²	91	125.9 Å²	125.9	56%	0.558	69%	0.685	S	S	*	*	S	Bend	trans	-103.3	4.8	-173.4	48.7	0	0	0	0	115.8	F1038	T1034-F1038 WeakPolarHBondContact O-CD2 3.21Å
1035	I	49.7	Very low	49.1	Very low	128 Å²	128	124.8 Å²	124.8	66%	0.656	68%	0.676	S	S	*	*	H	α-helix	trans	-75.9	-34.2	-173.4	-60.8	176	0	0	0	115.2	V1037	I1035-V1037 PolarHBondContact O-N 3.22Å
1036	P	47.5	Very low	51.5	Low	96 Å²	96	125.3 Å²	125.3	62%	0.623	66%	0.664	S	S	*	*	H	α-helix	trans	-75.7	-19.6	-172	26.5	-30.3	0	0	0	114.4
1037	V	54.2	Low	53.7	Low	94 Å²	94	118.5 Å²	118.5	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-79.9	-36.3	-177.5	-179	0	0	0	0	112.1	I1035 F1040 L1041	I1035-V1037 PolarHBondContact O-N 3.22Å; V1037-F1040 PolarHBondContact O-N 3.15Å; V1037-L1041 HydrophobicContact CG1-CD1 4.44Å; V1037-L1041 PolarHBondContact O-N 3.06Å
1038	F	54.3	Low	55.6	Low	152 Å²	152	111.1 Å²	111.1	67%	0.667	63%	0.627	S	S	*	*	H	α-helix	trans	-74.6	-30.8	179.4	-74.1	-73.1	0	0	0	113	T1034 F1040 G1042	T1034-F1038 WeakPolarHBondContact O-CD2 3.21Å; F1038-F1040 VanDerWaalsContact C-N 3.33Å; F1038-G1042 PolarHBondContact O-N 2.88Å; F1038-G1042 VanDerWaalsContact O-N 3.08Å
1039	A	62.3	Low	57.6	Low	68 Å²	68	110.7 Å²	110.7	56%	0.562	62%	0.618	S	S	*	*	H	α-helix	trans	-65.5	-37.5	174.4	0	0	0	0	0	112	G1042 A1043	A1039-G1042 PolarHBondContact O-N 2.84Å; A1039-A1043 PolarHBondContact O-N 2.78Å
1040	F	64.3	Low	59.4	Low	151 Å²	151	108.2 Å²	108.2	66%	0.662	61%	0.605	S	S	*	*	H	α-helix	trans	-70.9	-39.4	179.9	-151.8	-91.2	0	0	0	112.6	V1037 F1038 A1043 M1044	V1037-F1040 PolarHBondContact O-N 3.15Å; F1038-F1040 VanDerWaalsContact C-N 3.33Å; F1040-A1043 PolarHBondContact O-N 3.37Å; F1040-M1044 HydrophobicContact CE1-CE 4.49Å; F1040-M1044 PolarHBondContact O-N 3.11Å
1041	L	64.1	Low	61.4	Low	109 Å²	109	103 Å²	103	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-67.5	-37	174.9	-83.4	160.3	0	0	0	112.4	V1037 A1043 M1044 V1045	V1037-L1041 HydrophobicContact CG1-CD1 4.44Å; V1037-L1041 PolarHBondContact O-N 3.06Å; L1041-A1043 PolarHBondContact O-N 2.73Å; L1041-M1044 PolarHBondContact O-N 3.04Å; L1041-V1045 WeakPolarHBondContact O-CG2 3.49Å; L1041-V1045 PolarHBondContact O-N 3.29Å
1042	G	67.4	Low	62.8	Low	38 Å²	38	100.3 Å²	100.3	39%	0.392	57%	0.57	S	S	.	*	H	α-helix	trans	-62.1	-41.2	175.2	0	0	0	0	0	113	F1038 A1039 M1044 V1045 V1046	F1038-G1042 PolarHBondContact O-N 2.88Å; F1038-G1042 VanDerWaalsContact O-N 3.08Å; A1039-G1042 PolarHBondContact O-N 2.84Å; G1042-M1044 PolarHBondContact O-N 3.4Å; G1042-V1045 PolarHBondContact O-N 2.91Å; G1042-V1046 PolarHBondContact O-N 3.32Å
1043	A	73.3	Confident	64	Low	53 Å²	53	102 Å²	102	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-37.3	179.9	0	0	0	0	0	112.9	A1039 F1040 L1041 V1045 V1046 L1047	A1039-A1043 PolarHBondContact O-N 2.78Å; F1040-A1043 PolarHBondContact O-N 3.37Å; L1041-A1043 PolarHBondContact O-N 2.73Å; A1043-V1045 PolarHBondContact O-N 3.3Å; A1043-V1046 PolarHBondContact O-N 3.21Å; A1043-L1047 PolarHBondContact O-N 3.05Å; A1043-L1047 VanDerWaalsContact O-N 3.1Å
1044	M	69.3	Low	65	Low	104 Å²	104	99.2 Å²	99.2	51%	0.512	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-32.2	179.5	-75.4	-68.5	143.7	0	0	113.4	F1040 L1041 G1042 S1048	F1040-M1044 HydrophobicContact CE1-CE 4.49Å; F1040-M1044 PolarHBondContact O-N 3.11Å; L1041-M1044 PolarHBondContact O-N 3.04Å; G1042-M1044 PolarHBondContact O-N 3.4Å; M1044-S1048 PolarHBondContact O-N 2.82Å; M1044-S1048 VanDerWaalsContact O-N 3.12Å; M1044-S1048 PolarHBondContact O-OG 2.79Å
1045	V	74	Confident	65.5	Low	101 Å²	101	99.4 Å²	99.4	61%	0.612	55%	0.552	S	S	*	*	H	α-helix	trans	-71.5	-36	176.8	176.2	0	0	0	0	111.3	L1041 G1042 A1043 S1048 F1049	L1041-V1045 WeakPolarHBondContact O-CG2 3.49Å; L1041-V1045 PolarHBondContact O-N 3.29Å; G1042-V1045 PolarHBondContact O-N 2.91Å; A1043-V1045 PolarHBondContact O-N 3.3Å; V1045-S1048 WeakPolarHBondContact CA-OG 3.41Å; V1045-S1048 PolarHBondContact O-OG 2.97Å; V1045-F1049 PolarHBondContact O-N 3.45Å
1046	V	74.8	Confident	65.5	Low	83 Å²	83	100.8 Å²	100.8	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-70	-39.5	175.9	177.7	0	0	0	0	111	G1042 A1043 S1048 F1049 F1050	G1042-V1046 PolarHBondContact O-N 3.32Å; A1043-V1046 PolarHBondContact O-N 3.21Å; V1046-S1048 PolarHBondContact O-N 2.81Å; V1046-F1049 PolarHBondContact O-N 3.03Å; V1046-F1050 HydrophobicContact CG1-CD2 4.12Å; V1046-F1050 HydrophobicContact CG1-CE2 4.18Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.41Å; V1046-F1050 PolarHBondContact O-N 3.3Å
1047	L	73.3	Confident	65.6	Low	110 Å²	110	100.3 Å²	100.3	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-65.5	-40.3	179.3	-129.9	132	0	0	0	112.3	A1043 F1050 V1051	A1043-L1047 PolarHBondContact O-N 3.05Å; A1043-L1047 VanDerWaalsContact O-N 3.1Å; L1047-F1050 PolarHBondContact O-N 3.42Å; L1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; L1047-V1051 PolarHBondContact O-N 2.92Å
1048	S	68.9	Low	65.1	Low	66 Å²	66	105.1 Å²	105.1	46%	0.462	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-34.1	175.4	45.3	0	0	0	0	112.7	M1044 V1045 V1046 V1051 V1052	M1044-S1048 PolarHBondContact O-N 2.82Å; M1044-S1048 VanDerWaalsContact O-N 3.12Å; M1044-S1048 PolarHBondContact O-OG 2.79Å; V1045-S1048 WeakPolarHBondContact CA-OG 3.41Å; V1045-S1048 PolarHBondContact O-OG 2.97Å; V1046-S1048 PolarHBondContact O-N 2.81Å; S1048-V1051 PolarHBondContact O-N 2.96Å; S1048-V1052 WeakPolarHBondContact O-CG2 3.42Å; S1048-V1052 PolarHBondContact O-N 3.04Å
1049	F	74.3	Confident	64.8	Low	127 Å²	127	102.6 Å²	102.6	56%	0.557	57%	0.572	S	S	*	*	H	α-helix	trans	-64.3	-40.1	173.9	-173.5	-98.6	0	0	0	112.6	V1045 V1046 V1052 Q1053	V1045-F1049 PolarHBondContact O-N 3.45Å; V1046-F1049 PolarHBondContact O-N 3.03Å; F1049-V1052 PolarHBondContact O-N 2.96Å; F1049-Q1053 HydrophobicContact CE1-CG 4.21Å; F1049-Q1053 PolarHBondContact O-N 3.42Å
1050	F	69.8	Low	63.7	Low	127 Å²	127	109 Å²	109	56%	0.557	59%	0.587	S	S	*	*	H	α-helix	trans	-70.2	-35.4	178	-91	-81.4	0	0	0	113.3	V1046 L1047 V1052 Q1053 L1054	V1046-F1050 HydrophobicContact CG1-CD2 4.12Å; V1046-F1050 HydrophobicContact CG1-CE2 4.18Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.41Å; V1046-F1050 PolarHBondContact O-N 3.3Å; L1047-F1050 PolarHBondContact O-N 3.42Å; F1050-V1052 VanDerWaalsContact C-N 3.31Å; F1050-V1052 PolarHBondContact O-N 3.49Å; F1050-Q1053 PolarHBondContact O-N 2.79Å; F1050-L1054 WeakPolarHBondContact O-CG 3.44Å; F1050-L1054 PolarHBondContact O-N 3.48Å
1051	V	74.3	Confident	62.5	Low	83 Å²	83	108.1 Å²	108.1	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-64.4	-36.2	175.5	172.6	0	0	0	0	111.7	L1047 S1048 T1055	L1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; L1047-V1051 PolarHBondContact O-N 2.92Å; S1048-V1051 PolarHBondContact O-N 2.96Å; V1051-T1055 WeakPolarHBondContact O-CG2 3.41Å; V1051-T1055 PolarHBondContact O-N 2.9Å; V1051-T1055 PolarHBondContact O-OG1 3.46Å
1052	V	71.7	Confident	61.2	Low	78 Å²	78	113.1 Å²	113.1	47%	0.473	61%	0.613	S	S	.	*	H	α-helix	trans	-70.8	-33.5	176.8	173.4	0	0	0	0	112.1	S1048 F1049 F1050 T1055 K1056	S1048-V1052 WeakPolarHBondContact O-CG2 3.42Å; S1048-V1052 PolarHBondContact O-N 3.04Å; F1049-V1052 PolarHBondContact O-N 2.96Å; F1050-V1052 VanDerWaalsContact C-N 3.31Å; F1050-V1052 PolarHBondContact O-N 3.49Å; V1052-T1055 WeakPolarHBondContact CA-OG1 3.22Å; V1052-T1055 PolarHBondContact O-OG1 3.42Å; V1052-T1055 VanDerWaalsContact O-OG1 3.07Å; V1052-K1056 PolarHBondContact O-N 3.49Å
1053	Q	63.5	Low	59.9	Low	101 Å²	101	123.3 Å²	123.3	47%	0.472	64%	0.64	S	S	.	*	H	α-helix	trans	-73.3	-37.5	176.3	-71.2	-67.9	1.2	0	0	112.5	F1049 F1050 T1055 K1056	F1049-Q1053 HydrophobicContact CE1-CG 4.21Å; F1049-Q1053 PolarHBondContact O-N 3.42Å; F1050-Q1053 PolarHBondContact O-N 2.79Å; Q1053-T1055 VanDerWaalsContact C-N 3.33Å; Q1053-T1055 PolarHBondContact O-N 3.39Å; Q1053-K1056 PolarHBondContact O-N 3.36Å
1054	L	64.6	Low	57.9	Low	123 Å²	123	132.8 Å²	132.8	64%	0.644	67%	0.665	S	S	*	*	H	α-helix	trans	-70.2	-28.5	178	-74.4	167.1	0	0	0	113.1	F1050	F1050-L1054 WeakPolarHBondContact O-CG 3.44Å; F1050-L1054 PolarHBondContact O-N 3.48Å
1055	T	59.7	Low	56.3	Low	95 Å²	95	137.7 Å²	137.7	58%	0.583	68%	0.683	S	S	*	*	H	α-helix	trans	-79.1	-28.3	177	45.3	0	0	0	0	113.1	V1051 V1052 Q1053 A1057	V1051-T1055 WeakPolarHBondContact O-CG2 3.41Å; V1051-T1055 PolarHBondContact O-N 2.9Å; V1051-T1055 PolarHBondContact O-OG1 3.46Å; V1052-T1055 WeakPolarHBondContact CA-OG1 3.22Å; V1052-T1055 PolarHBondContact O-OG1 3.42Å; V1052-T1055 VanDerWaalsContact O-OG1 3.07Å; Q1053-T1055 VanDerWaalsContact C-N 3.33Å; Q1053-T1055 PolarHBondContact O-N 3.39Å; T1055-A1057 VanDerWaalsContact C-N 3.32Å; T1055-A1057 PolarHBondContact O-N 3.49Å
1056	K	50.3	Low	55	Low	158 Å²	158	139 Å²	139	69%	0.687	69%	0.694	S	S	*	*	H	α-helix	trans	-72.4	-19.2	173.9	-85.6	-176.3	174.2	178.1	0	114.5	V1052 Q1053 K1058	V1052-K1056 PolarHBondContact O-N 3.49Å; Q1053-K1056 PolarHBondContact O-N 3.36Å; K1056-K1058 VanDerWaalsContact C-N 3.33Å; K1056-K1058 PolarHBondContact O-N 3.48Å
1057	A	49	Very low	52.8	Low	85 Å²	85	147 Å²	147	70%	0.702	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-11.5	-179	0	0	0	0	0	114.5	T1055	T1055-A1057 VanDerWaalsContact C-N 3.32Å; T1055-A1057 PolarHBondContact O-N 3.49Å
1058	K	44.9	Very low	51.3	Low	196 Å²	196	149.1 Å²	149.1	85%	0.852	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-0.8	-171.3	-82.8	-173.5	175.5	-179.9	0	116.9	K1056	K1056-K1058 VanDerWaalsContact C-N 3.33Å; K1056-K1058 PolarHBondContact O-N 3.48Å
1059	S	46.6	Very low	49.4	Very low	98 Å²	98	156.1 Å²	156.1	69%	0.685	75%	0.747	S	S	*	*			trans	-123.1	89.4	179.2	58.9	0	0	0	0	113.9
1060	K	40.4	Very low	47.3	Very low	203 Å²	203	161.5 Å²	161.5	88%	0.883	76%	0.764	S	S	*	*			trans	-129.6	120.6	158.3	-81.2	-173.6	178.4	177	0	109.9
1061	P	39.5	Very low	46.8	Very low	132 Å²	132	160.6 Å²	160.6	86%	0.857	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-83.5	150.5	164.4	7.1	9.4	0	0	0	112
1062	K	36	Very low	44.7	Very low	214 Å²	214	163.9 Å²	163.9	93%	0.93	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.8	144.9	-168	-73.4	172.2	172.5	174.6	0	114.7
1063	R	39.9	Very low	42.7	Very low	253 Å²	253	170 Å²	170	96%	0.955	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.6	166.1	-91.9	176.6	162.1	175.8	-5.5	112.6
1064	R	32.2	Very low	41.2	Very low	252 Å²	252	172.2 Å²	172.2	95%	0.951	82%	0.822	S	S	*	*			trans	-122.2	145.2	156.2	-97.2	-175.7	171.4	-178.6	-1.7	111
1065	K	35.5	Very low	39.5	Very low	207 Å²	207	174.1 Å²	174.1	90%	0.9	83%	0.827	S	S	*	*			trans	-74.4	163.8	-169	-82.9	-178	177	-178.4	0	114.6
1066	P	45.1	Very low	38.2	Very low	129 Å²	129	177.5 Å²	177.5	84%	0.838	84%	0.836	S	S	*	*			trans	-88.1	156.1	-174.9	36.3	-33.1	0	0	0	112.8
1067	R	28.6	Very low	37.2	Very low	250 Å²	250	179.2 Å²	179.2	94%	0.943	85%	0.847	S	S	*	*			trans	-130.1	128.8	172.2	-147.3	177.6	-170.5	175	2.5	110.8
1068	I	42.5	Very low	36.3	Very low	155 Å²	155	181.5 Å²	181.5	80%	0.795	85%	0.852	S	S	*	*			trans	-75.9	144.9	177	-68.4	160.6	0	0	0	110.6
1069	K	29.4	Very low	35.6	Very low	213 Å²	213	177.2 Å²	177.2	93%	0.926	85%	0.853	S	S	*	*			trans	-165.8	155.5	136.4	-107.1	178.9	-174.9	-169.9	0	113
1070	R	29.2	Very low	34.9	Very low	239 Å²	239	179.2 Å²	179.2	90%	0.902	86%	0.861	S	S	*	*			trans	-92.9	-176.8	-160.2	-110.2	-169.8	-178.7	175.8	-0.3	112.8
1071	P	59.1	Low	34.4	Very low	108 Å²	108	174.7 Å²	174.7	70%	0.701	86%	0.862	S	S	*	*			trans	-100.5	173	-148.4	41.7	-36.9	0	0	0	115
1072	T	30.4	Very low	33.9	Very low	152 Å²	152	172.2 Å²	172.2	93%	0.933	86%	0.861	S	S	*	*			trans	-144.6	139.8	164.8	4.1	0	0	0	0	112.5
1073	Y	31.2	Very low	33.8	Very low	208 Å²	208	172.2 Å²	172.2	82%	0.816	86%	0.86	S	S	*	*			trans	-85.6	166.1	-175.3	-104.7	-104.9	0	0	0	114.2
1074	L	31.4	Very low	33.5	Very low	147 Å²	147	166.4 Å²	166.4	77%	0.77	85%	0.853	S	S	*	*			trans	67.5	134.3	153	-79.3	149.9	0	0	0	116.4
1075	Q	28	Very low	34.6	Very low	163 Å²	163	159.4 Å²	159.4	76%	0.762	84%	0.84	S	S	*	*				177.7	128.5	56.8	-164	163.7	10	0	0	110.4
1076	Q	33.1	Very low	34.6	Very low	166 Å²	166	155.7 Å²	155.7	78%	0.776	84%	0.835	S	S	*	*			trans	17.4	126.4	135.2	-152.4	170.3	18.1	0	0	120.6
1077	Q	29.9	Very low	34.1	Very low	194 Å²	194	159.7 Å²	159.7	91%	0.907	86%	0.857	S	S	*	*				-168.7	136.8	128.4	-107.8	172.4	10.7	0	0	114.1
1078	T	30.2	Very low	34.4	Very low	133 Å²	133	155.2 Å²	155.2	82%	0.816	85%	0.853	S	S	*	*			trans	-72.5	147.7	176.2	41.7	0	0	0	0	114.3
1079	A	29.3	Very low	33.9	Very low	106 Å²	106	155.2 Å²	155.2	88%	0.876	86%	0.856	S	S	*	*			trans	-166.3	124	138.8	0	0	0	0	0	112.6
1080	T	31.3	Very low	34.2	Very low	139 Å²	139	152 Å²	152	85%	0.853	85%	0.852	S	S	*	*			trans	-73	147.2	169.2	45.6	0	0	0	0	113
1081	A	29.6	Very low	34.5	Very low	109 Å²	109	146.9 Å²	146.9	90%	0.901	85%	0.849	S	S	*	*				160.9	126.7	124.9	0	0	0	0	0	112
1082	G	29.6	Very low	32.9	Very low	80 Å²	80	149.3 Å²	149.3	83%	0.825	86%	0.858	S	S	*	*			trans	-166.7	85.5	167.7	0	0	0	0	0	109.7
1083	K	33.9	Very low	33.1	Very low	213 Å²	213	149.1 Å²	149.1	93%	0.926	85%	0.853	S	S	*	*			trans	-74.3	142.2	175.8	-77	178	173.6	178.6	0	110.7
1084	T	34.5	Very low	33.2	Very low	131 Å²	131	144.9 Å²	144.9	80%	0.804	86%	0.856	S	S	*	*			trans	-64.1	169.1	160.8	49.4	0	0	0	0	111.3
1085	P	55.2	Low	33.4	Very low	105 Å²	105	144.8 Å²	144.8	68%	0.682	86%	0.863	S	S	*	*				-150.6	157.1	81.2	37.5	-17.1	0	0	0	117.3
1086	T	35.3	Very low	33.8	Very low	129 Å²	129	143.3 Å²	143.3	79%	0.791	87%	0.871	S	S	*	*			trans	59.1	131.7	141.2	55	0	0	0	0	119.2
1087	V	33.9	Very low	33.9	Very low	214 Å²	214	141.2 Å²	141.2	100%	1.297	88%	0.88	S	S	*	*			cis	-139	0	31.3	168.4	0	0	0	0	110.1

Retrieved 1,087 of 1,087 residues in 774.8 ms (Link to these results)

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